Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:52:14 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: ./BaZnSbF.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 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 49 31 9 3439 1715 267 Max 50 32 10 3449 1737 277 Sum 1765 1117 325 124005 62143 9745 bravais-lattice index = 14 lattice parameter (alat) = 8.3873 a.u. unit-cell volume = 1299.9602 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 68.00 number of Kohn-Sham states= 82 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)= 8.387265 celldm(2)= 1.000000 celldm(3)= 2.203276 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.203276 ) 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 0.453870 ) 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) F 7.00 18.99840 F( 1.00) Sb 5.00 121.76000 Sb( 1.00) Zn 12.00 65.40900 Zn( 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= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0032680 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0032680 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0032680 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0032680 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0032680 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0032680 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032680 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0032680 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0032680 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0032680 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0032680 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0032680 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0032680 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032680 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0032680 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0032680 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0032680 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0032680 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0032680 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0032680 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0032680 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0032680 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0032680 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0032680 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0032680 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0032680 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0032680 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0032680 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0032680 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0032680 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0032680 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0032680 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0032680 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0032680 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0032680 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0032680 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0032680 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0032680 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0032680 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0032680 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032680 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0032680 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0032680 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0032680 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0032680 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0032680 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0032680 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0032680 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0032680 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0032680 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0032680 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0032680 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0032680 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0032680 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0032680 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0032680 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0032680 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032680 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0032680 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0032680 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0032680 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0032680 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0032680 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0032680 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0032680 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0032680 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0032680 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0032680 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0032680 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0032680 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0032680 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0032680 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032680 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.0133491), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.0266982), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0400473), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.0533964), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.0667455), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.0800946), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.0934437), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.1067928), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.1201420), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.1334911), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.1468402), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.1601893), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.1735384), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.1868875), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.2002366), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.2135857), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.2269348), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.2269348), wk = 0.0032680 k( 146) = ( 0.0000000 0.0138889 0.2269348), wk = 0.0032680 k( 147) = ( 0.0000000 0.0277778 0.2269348), wk = 0.0032680 k( 148) = ( 0.0000000 0.0416667 0.2269348), wk = 0.0032680 k( 149) = ( 0.0000000 0.0555556 0.2269348), wk = 0.0032680 k( 150) = ( 0.0000000 0.0694444 0.2269348), wk = 0.0032680 k( 151) = ( 0.0000000 0.0833333 0.2269348), wk = 0.0032680 k( 152) = ( 0.0000000 0.0972222 0.2269348), wk = 0.0032680 k( 153) = ( 0.0000000 0.1111111 0.2269348), wk = 0.0032680 k( 154) = ( 0.0000000 0.1250000 0.2269348), wk = 0.0032680 k( 155) = ( 0.0000000 0.1388889 0.2269348), wk = 0.0032680 k( 156) = ( 0.0000000 0.1527778 0.2269348), wk = 0.0032680 k( 157) = ( 0.0000000 0.1666667 0.2269348), wk = 0.0032680 k( 158) = ( 0.0000000 0.1805556 0.2269348), wk = 0.0032680 k( 159) = ( 0.0000000 0.1944444 0.2269348), wk = 0.0032680 k( 160) = ( 0.0000000 0.2083333 0.2269348), wk = 0.0032680 k( 161) = ( 0.0000000 0.2222222 0.2269348), wk = 0.0032680 k( 162) = ( 0.0000000 0.2361111 0.2269348), wk = 0.0032680 k( 163) = ( 0.0000000 0.2500000 0.2269348), wk = 0.0032680 k( 164) = ( 0.0000000 0.2638889 0.2269348), wk = 0.0032680 k( 165) = ( 0.0000000 0.2777778 0.2269348), wk = 0.0032680 k( 166) = ( 0.0000000 0.2916667 0.2269348), wk = 0.0032680 k( 167) = ( 0.0000000 0.3055556 0.2269348), wk = 0.0032680 k( 168) = ( 0.0000000 0.3194444 0.2269348), wk = 0.0032680 k( 169) = ( 0.0000000 0.3333333 0.2269348), wk = 0.0032680 k( 170) = ( 0.0000000 0.3472222 0.2269348), wk = 0.0032680 k( 171) = ( 0.0000000 0.3611111 0.2269348), wk = 0.0032680 k( 172) = ( 0.0000000 0.3750000 0.2269348), wk = 0.0032680 k( 173) = ( 0.0000000 0.3888889 0.2269348), wk = 0.0032680 k( 174) = ( 0.0000000 0.4027778 0.2269348), wk = 0.0032680 k( 175) = ( 0.0000000 0.4166667 0.2269348), wk = 0.0032680 k( 176) = ( 0.0000000 0.4305556 0.2269348), wk = 0.0032680 k( 177) = ( 0.0000000 0.4444444 0.2269348), wk = 0.0032680 k( 178) = ( 0.0000000 0.4583333 0.2269348), wk = 0.0032680 k( 179) = ( 0.0000000 0.4722222 0.2269348), wk = 0.0032680 k( 180) = ( 0.0000000 0.4861111 0.2269348), wk = 0.0032680 k( 181) = ( 0.0000000 0.5000000 0.2269348), wk = 0.0032680 k( 182) = ( 0.0000000 0.5000000 0.2269348), wk = 0.0032680 k( 183) = ( 0.0138889 0.5000000 0.2269348), wk = 0.0032680 k( 184) = ( 0.0277778 0.5000000 0.2269348), wk = 0.0032680 k( 185) = ( 0.0416667 0.5000000 0.2269348), wk = 0.0032680 k( 186) = ( 0.0555556 0.5000000 0.2269348), wk = 0.0032680 k( 187) = ( 0.0694444 0.5000000 0.2269348), wk = 0.0032680 k( 188) = ( 0.0833333 0.5000000 0.2269348), wk = 0.0032680 k( 189) = ( 0.0972222 0.5000000 0.2269348), wk = 0.0032680 k( 190) = ( 0.1111111 0.5000000 0.2269348), wk = 0.0032680 k( 191) = ( 0.1250000 0.5000000 0.2269348), wk = 0.0032680 k( 192) = ( 0.1388889 0.5000000 0.2269348), wk = 0.0032680 k( 193) = ( 0.1527778 0.5000000 0.2269348), wk = 0.0032680 k( 194) = ( 0.1666667 0.5000000 0.2269348), wk = 0.0032680 k( 195) = ( 0.1805556 0.5000000 0.2269348), wk = 0.0032680 k( 196) = ( 0.1944444 0.5000000 0.2269348), wk = 0.0032680 k( 197) = ( 0.2083333 0.5000000 0.2269348), wk = 0.0032680 k( 198) = ( 0.2222222 0.5000000 0.2269348), wk = 0.0032680 k( 199) = ( 0.2361111 0.5000000 0.2269348), wk = 0.0032680 k( 200) = ( 0.2500000 0.5000000 0.2269348), wk = 0.0032680 k( 201) = ( 0.2638889 0.5000000 0.2269348), wk = 0.0032680 k( 202) = ( 0.2777778 0.5000000 0.2269348), wk = 0.0032680 k( 203) = ( 0.2916667 0.5000000 0.2269348), wk = 0.0032680 k( 204) = ( 0.3055556 0.5000000 0.2269348), wk = 0.0032680 k( 205) = ( 0.3194444 0.5000000 0.2269348), wk = 0.0032680 k( 206) = ( 0.3333333 0.5000000 0.2269348), wk = 0.0032680 k( 207) = ( 0.3472222 0.5000000 0.2269348), wk = 0.0032680 k( 208) = ( 0.3611111 0.5000000 0.2269348), wk = 0.0032680 k( 209) = ( 0.3750000 0.5000000 0.2269348), wk = 0.0032680 k( 210) = ( 0.3888889 0.5000000 0.2269348), wk = 0.0032680 k( 211) = ( 0.4027778 0.5000000 0.2269348), wk = 0.0032680 k( 212) = ( 0.4166667 0.5000000 0.2269348), wk = 0.0032680 k( 213) = ( 0.4305556 0.5000000 0.2269348), wk = 0.0032680 k( 214) = ( 0.4444444 0.5000000 0.2269348), wk = 0.0032680 k( 215) = ( 0.4583333 0.5000000 0.2269348), wk = 0.0032680 k( 216) = ( 0.4722222 0.5000000 0.2269348), wk = 0.0032680 k( 217) = ( 0.4861111 0.5000000 0.2269348), wk = 0.0032680 k( 218) = ( 0.5000000 0.5000000 0.2269348), wk = 0.0032680 k( 219) = ( 0.5000000 0.5000000 0.2269348), wk = 0.0032680 k( 220) = ( 0.4901961 0.4901961 0.2269348), wk = 0.0032680 k( 221) = ( 0.4803922 0.4803922 0.2269348), wk = 0.0032680 k( 222) = ( 0.4705882 0.4705882 0.2269348), wk = 0.0032680 k( 223) = ( 0.4607843 0.4607843 0.2269348), wk = 0.0032680 k( 224) = ( 0.4509804 0.4509804 0.2269348), wk = 0.0032680 k( 225) = ( 0.4411765 0.4411765 0.2269348), wk = 0.0032680 k( 226) = ( 0.4313726 0.4313725 0.2269348), wk = 0.0032680 k( 227) = ( 0.4215686 0.4215686 0.2269348), wk = 0.0032680 k( 228) = ( 0.4117647 0.4117647 0.2269348), wk = 0.0032680 k( 229) = ( 0.4019608 0.4019608 0.2269348), wk = 0.0032680 k( 230) = ( 0.3921569 0.3921569 0.2269348), wk = 0.0032680 k( 231) = ( 0.3823529 0.3823529 0.2269348), wk = 0.0032680 k( 232) = ( 0.3725490 0.3725490 0.2269348), wk = 0.0032680 k( 233) = ( 0.3627451 0.3627451 0.2269348), wk = 0.0032680 k( 234) = ( 0.3529412 0.3529412 0.2269348), wk = 0.0032680 k( 235) = ( 0.3431373 0.3431372 0.2269348), wk = 0.0032680 k( 236) = ( 0.3333333 0.3333333 0.2269348), wk = 0.0032680 k( 237) = ( 0.3235294 0.3235294 0.2269348), wk = 0.0032680 k( 238) = ( 0.3137255 0.3137255 0.2269348), wk = 0.0032680 k( 239) = ( 0.3039216 0.3039216 0.2269348), wk = 0.0032680 k( 240) = ( 0.2941177 0.2941176 0.2269348), wk = 0.0032680 k( 241) = ( 0.2843137 0.2843137 0.2269348), wk = 0.0032680 k( 242) = ( 0.2745098 0.2745098 0.2269348), wk = 0.0032680 k( 243) = ( 0.2647059 0.2647059 0.2269348), wk = 0.0032680 k( 244) = ( 0.2549020 0.2549020 0.2269348), wk = 0.0032680 k( 245) = ( 0.2450980 0.2450980 0.2269348), wk = 0.0032680 k( 246) = ( 0.2352941 0.2352941 0.2269348), wk = 0.0032680 k( 247) = ( 0.2254902 0.2254902 0.2269348), wk = 0.0032680 k( 248) = ( 0.2156863 0.2156863 0.2269348), wk = 0.0032680 k( 249) = ( 0.2058823 0.2058823 0.2269348), wk = 0.0032680 k( 250) = ( 0.1960784 0.1960784 0.2269348), wk = 0.0032680 k( 251) = ( 0.1862745 0.1862745 0.2269348), wk = 0.0032680 k( 252) = ( 0.1764706 0.1764706 0.2269348), wk = 0.0032680 k( 253) = ( 0.1666667 0.1666667 0.2269348), wk = 0.0032680 k( 254) = ( 0.1568627 0.1568627 0.2269348), wk = 0.0032680 k( 255) = ( 0.1470588 0.1470588 0.2269348), wk = 0.0032680 k( 256) = ( 0.1372549 0.1372549 0.2269348), wk = 0.0032680 k( 257) = ( 0.1274510 0.1274510 0.2269348), wk = 0.0032680 k( 258) = ( 0.1176471 0.1176471 0.2269348), wk = 0.0032680 k( 259) = ( 0.1078431 0.1078431 0.2269348), wk = 0.0032680 k( 260) = ( 0.0980392 0.0980392 0.2269348), wk = 0.0032680 k( 261) = ( 0.0882353 0.0882353 0.2269348), wk = 0.0032680 k( 262) = ( 0.0784314 0.0784314 0.2269348), wk = 0.0032680 k( 263) = ( 0.0686275 0.0686275 0.2269348), wk = 0.0032680 k( 264) = ( 0.0588235 0.0588235 0.2269348), wk = 0.0032680 k( 265) = ( 0.0490196 0.0490196 0.2269348), wk = 0.0032680 k( 266) = ( 0.0392157 0.0392157 0.2269348), wk = 0.0032680 k( 267) = ( 0.0294118 0.0294118 0.2269348), wk = 0.0032680 k( 268) = ( 0.0196078 0.0196078 0.2269348), wk = 0.0032680 k( 269) = ( 0.0098039 0.0098039 0.2269348), wk = 0.0032680 k( 270) = ( 0.0000000 0.0000000 0.2269348), wk = 0.0032680 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032680 k( 272) = ( 0.0000000 0.5000000 0.0133491), wk = 0.0032680 k( 273) = ( 0.0000000 0.5000000 0.0266982), wk = 0.0032680 k( 274) = ( 0.0000000 0.5000000 0.0400473), wk = 0.0032680 k( 275) = ( 0.0000000 0.5000000 0.0533964), wk = 0.0032680 k( 276) = ( 0.0000000 0.5000000 0.0667455), wk = 0.0032680 k( 277) = ( 0.0000000 0.5000000 0.0800946), wk = 0.0032680 k( 278) = ( 0.0000000 0.5000000 0.0934437), wk = 0.0032680 k( 279) = ( 0.0000000 0.5000000 0.1067928), wk = 0.0032680 k( 280) = ( 0.0000000 0.5000000 0.1201420), wk = 0.0032680 k( 281) = ( 0.0000000 0.5000000 0.1334911), wk = 0.0032680 k( 282) = ( 0.0000000 0.5000000 0.1468402), wk = 0.0032680 k( 283) = ( 0.0000000 0.5000000 0.1601893), wk = 0.0032680 k( 284) = ( 0.0000000 0.5000000 0.1735384), wk = 0.0032680 k( 285) = ( 0.0000000 0.5000000 0.1868875), wk = 0.0032680 k( 286) = ( 0.0000000 0.5000000 0.2002366), wk = 0.0032680 k( 287) = ( 0.0000000 0.5000000 0.2135857), wk = 0.0032680 k( 288) = ( 0.0000000 0.5000000 0.2269348), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.0133491), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.0266982), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.0400473), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.0533964), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.0667455), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.0800946), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.0934437), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.1067928), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.1201420), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.1334911), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.1468402), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.1601893), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.1735384), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.1868875), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.2002366), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.2135857), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.2269348), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0032680 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0032680 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032680 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0032680 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0032680 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0032680 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0032680 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0032680 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0032680 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0032680 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032680 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0032680 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0032680 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0032680 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0032680 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0032680 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0032680 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0032680 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032680 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0032680 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0032680 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0032680 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0032680 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0032680 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0032680 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0032680 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0032680 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0032680 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0032680 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0032680 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0032680 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0032680 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0032680 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0032680 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032680 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0032680 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0032680 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0032680 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0032680 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0032680 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0032680 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0032680 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0032680 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032680 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0032680 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0032680 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0032680 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0032680 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0032680 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0032680 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032680 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0032680 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0032680 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0032680 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0032680 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0032680 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0032680 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0032680 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0032680 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0032680 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0032680 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0032680 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0032680 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0032680 k( 81) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0032680 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0032680 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0032680 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0032680 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0032680 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0032680 k( 87) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0032680 k( 88) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0032680 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0032680 k( 90) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0032680 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0032680 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0032680 k( 94) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0032680 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0032680 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0032680 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0032680 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0032680 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0032680 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0032680 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0032680 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0032680 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0032680 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0032680 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0032680 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0032680 k( 107) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0032680 k( 108) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0032680 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032680 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0032680 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0032680 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0032680 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0032680 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0032680 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0032680 k( 116) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0032680 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0032680 k( 118) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0032680 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0032680 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0032680 k( 121) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0032680 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0032680 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0032680 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032680 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 146) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0032680 k( 147) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0032680 k( 148) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0032680 k( 149) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0032680 k( 150) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0032680 k( 151) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0032680 k( 152) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0032680 k( 153) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0032680 k( 154) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0032680 k( 155) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0032680 k( 156) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0032680 k( 157) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0032680 k( 158) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0032680 k( 159) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0032680 k( 160) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0032680 k( 161) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0032680 k( 162) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0032680 k( 163) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0032680 k( 164) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0032680 k( 165) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0032680 k( 166) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0032680 k( 167) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0032680 k( 168) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0032680 k( 169) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0032680 k( 170) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0032680 k( 171) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0032680 k( 172) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0032680 k( 173) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0032680 k( 174) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0032680 k( 175) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0032680 k( 176) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0032680 k( 177) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0032680 k( 178) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0032680 k( 179) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0032680 k( 180) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0032680 k( 181) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 182) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 183) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0032680 k( 184) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0032680 k( 185) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0032680 k( 186) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0032680 k( 187) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0032680 k( 188) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0032680 k( 189) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0032680 k( 190) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0032680 k( 191) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0032680 k( 192) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0032680 k( 193) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0032680 k( 194) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032680 k( 195) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0032680 k( 196) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0032680 k( 197) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0032680 k( 198) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0032680 k( 199) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0032680 k( 200) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032680 k( 201) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0032680 k( 202) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0032680 k( 203) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0032680 k( 204) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0032680 k( 205) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0032680 k( 206) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032680 k( 207) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0032680 k( 208) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0032680 k( 209) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0032680 k( 210) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0032680 k( 211) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0032680 k( 212) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0032680 k( 213) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0032680 k( 214) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0032680 k( 215) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0032680 k( 216) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0032680 k( 217) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0032680 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 k( 220) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0032680 k( 221) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0032680 k( 222) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0032680 k( 223) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0032680 k( 224) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0032680 k( 225) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0032680 k( 226) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0032680 k( 227) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0032680 k( 228) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0032680 k( 229) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0032680 k( 230) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0032680 k( 231) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0032680 k( 232) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0032680 k( 233) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0032680 k( 234) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0032680 k( 235) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0032680 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 237) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0032680 k( 238) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0032680 k( 239) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0032680 k( 240) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0032680 k( 241) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0032680 k( 242) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0032680 k( 243) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0032680 k( 244) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0032680 k( 245) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0032680 k( 246) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0032680 k( 247) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0032680 k( 248) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0032680 k( 249) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0032680 k( 250) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0032680 k( 251) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0032680 k( 252) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0032680 k( 253) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032680 k( 254) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0032680 k( 255) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0032680 k( 256) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0032680 k( 257) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0032680 k( 258) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0032680 k( 259) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0032680 k( 260) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0032680 k( 261) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0032680 k( 262) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0032680 k( 263) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0032680 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0032680 k( 265) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0032680 k( 266) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0032680 k( 267) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0032680 k( 268) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0032680 k( 269) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0032680 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 272) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0032680 k( 273) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0032680 k( 274) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0032680 k( 275) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0032680 k( 276) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0032680 k( 277) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0032680 k( 278) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0032680 k( 279) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0032680 k( 280) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0032680 k( 281) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0032680 k( 282) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0032680 k( 283) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0032680 k( 284) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0032680 k( 285) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0032680 k( 286) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0032680 k( 287) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0032680 k( 288) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0032680 k( 295) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0032680 k( 296) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0032680 k( 297) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0032680 k( 298) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0032680 k( 299) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0032680 k( 300) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0032680 k( 301) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0032680 k( 302) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0032680 k( 303) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0032680 k( 304) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0032680 k( 305) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0032680 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032680 Dense grid: 124005 G-vectors FFT dimensions: ( 48, 48, 108) Smooth grid: 62143 G-vectors FFT dimensions: ( 40, 40, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.58 Mb ( 464, 82) NL pseudopotentials 0.83 Mb ( 232, 234) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.03 Mb ( 3446) G-vector shells 0.01 Mb ( 1591) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.32 Mb ( 464, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.59 Mb ( 234, 2, 82) The potential is recalculated from file : ./BaZnSbF.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.5 secs Computing kpt #: 4 total cpu time spent up to now is 8.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.1 secs Computing kpt #: 8 total cpu time spent up to now is 14.5 secs Computing kpt #: 9 total cpu time spent up to now is 15.7 secs Computing kpt #: 10 total cpu time spent up to now is 17.0 secs Computing kpt #: 11 total cpu time spent up to now is 18.3 secs Computing kpt #: 12 total cpu time spent up to now is 19.5 secs Computing kpt #: 13 total cpu time spent up to now is 20.8 secs Computing kpt #: 14 total cpu time spent up to now is 22.0 secs Computing kpt #: 15 total cpu time spent up to now is 23.2 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 26.9 secs Computing kpt #: 19 total cpu time spent up to now is 28.1 secs Computing kpt #: 20 total cpu time spent up to now is 29.3 secs Computing kpt #: 21 total cpu time spent up to now is 30.7 secs Computing kpt #: 22 total cpu time spent up to now is 32.1 secs Computing kpt #: 23 total cpu time spent up to now is 33.4 secs Computing kpt #: 24 total cpu time spent up to now is 34.6 secs Computing kpt #: 25 total cpu time spent up to now is 35.9 secs Computing kpt #: 26 total cpu time spent up to now is 37.2 secs Computing kpt #: 27 total cpu time spent up to now is 38.4 secs Computing kpt #: 28 total cpu time spent up to now is 39.8 secs Computing kpt #: 29 total cpu time spent up to now is 41.1 secs Computing kpt #: 30 total cpu time spent up to now is 42.5 secs Computing kpt #: 31 total cpu time spent up to now is 43.9 secs Computing kpt #: 32 total cpu time spent up to now is 45.3 secs Computing kpt #: 33 total cpu time spent up to now is 46.7 secs Computing kpt #: 34 total cpu time spent up to now is 48.1 secs Computing kpt #: 35 total cpu time spent up to now is 49.5 secs Computing kpt #: 36 total cpu time spent up to now is 50.9 secs Computing kpt #: 37 total cpu time spent up to now is 52.1 secs Computing kpt #: 38 total cpu time spent up to now is 53.3 secs Computing kpt #: 39 total cpu time spent up to now is 54.6 secs Computing kpt #: 40 total cpu time spent up to now is 55.8 secs Computing kpt #: 41 total cpu time spent up to now is 57.1 secs Computing kpt #: 42 total cpu time spent up to now is 58.3 secs Computing kpt #: 43 total cpu time spent up to now is 59.6 secs Computing kpt #: 44 total cpu time spent up to now is 60.8 secs Computing kpt #: 45 total cpu time spent up to now is 62.1 secs Computing kpt #: 46 total cpu time spent up to now is 63.3 secs Computing kpt #: 47 total cpu time spent up to now is 64.5 secs Computing kpt #: 48 total cpu time spent up to now is 65.8 secs Computing kpt #: 49 total cpu time spent up to now is 67.0 secs Computing kpt #: 50 total cpu time spent up to now is 68.2 secs Computing kpt #: 51 total cpu time spent up to now is 69.5 secs Computing kpt #: 52 total cpu time spent up to now is 70.7 secs Computing kpt #: 53 total cpu time spent up to now is 71.9 secs Computing kpt #: 54 total cpu time spent up to now is 73.2 secs Computing kpt #: 55 total cpu time spent up to now is 74.4 secs Computing kpt #: 56 total cpu time spent up to now is 75.6 secs Computing kpt #: 57 total cpu time spent up to now is 76.9 secs Computing kpt #: 58 total cpu time spent up to now is 78.2 secs Computing kpt #: 59 total cpu time spent up to now is 79.4 secs Computing kpt #: 60 total cpu time spent up to now is 80.7 secs Computing kpt #: 61 total cpu time spent up to now is 82.0 secs Computing kpt #: 62 total cpu time spent up to now is 83.3 secs Computing kpt #: 63 total cpu time spent up to now is 84.6 secs Computing kpt #: 64 total cpu time spent up to now is 85.9 secs Computing kpt #: 65 total cpu time spent up to now is 87.2 secs Computing kpt #: 66 total cpu time spent up to now is 88.6 secs Computing kpt #: 67 total cpu time spent up to now is 90.0 secs Computing kpt #: 68 total cpu time spent up to now is 91.4 secs Computing kpt #: 69 total cpu time spent up to now is 92.8 secs Computing kpt #: 70 total cpu time spent up to now is 94.3 secs Computing kpt #: 71 total cpu time spent up to now is 95.7 secs Computing kpt #: 72 total cpu time spent up to now is 97.1 secs Computing kpt #: 73 total cpu time spent up to now is 98.5 secs Computing kpt #: 74 total cpu time spent up to now is 99.8 secs Computing kpt #: 75 total cpu time spent up to now is 101.1 secs Computing kpt #: 76 total cpu time spent up to now is 102.5 secs Computing kpt #: 77 total cpu time spent up to now is 103.8 secs Computing kpt #: 78 total cpu time spent up to now is 105.2 secs Computing kpt #: 79 total cpu time spent up to now is 106.7 secs Computing kpt #: 80 total cpu time spent up to now is 108.0 secs Computing kpt #: 81 total cpu time spent up to now is 109.4 secs Computing kpt #: 82 total cpu time spent up to now is 110.6 secs Computing kpt #: 83 total cpu time spent up to now is 112.1 secs Computing kpt #: 84 total cpu time spent up to now is 113.5 secs Computing kpt #: 85 total cpu time spent up to now is 114.9 secs Computing kpt #: 86 total cpu time spent up to now is 116.3 secs Computing kpt #: 87 total cpu time spent up to now is 117.8 secs Computing kpt #: 88 total cpu time spent up to now is 119.2 secs Computing kpt #: 89 total cpu time spent up to now is 120.6 secs Computing kpt #: 90 total cpu time spent up to now is 122.0 secs Computing kpt #: 91 total cpu time spent up to now is 123.4 secs Computing kpt #: 92 total cpu time spent up to now is 124.8 secs Computing kpt #: 93 total cpu time spent up to now is 126.2 secs Computing kpt #: 94 total cpu time spent up to now is 127.6 secs Computing kpt #: 95 total cpu time spent up to now is 129.0 secs Computing kpt #: 96 total cpu time spent up to now is 130.3 secs Computing kpt #: 97 total cpu time spent up to now is 131.7 secs Computing kpt #: 98 total cpu time spent up to now is 133.1 secs Computing kpt #: 99 total cpu time spent up to now is 134.5 secs Computing kpt #: 100 total cpu time spent up to now is 135.9 secs Computing kpt #: 101 total cpu time spent up to now is 137.3 secs Computing kpt #: 102 total cpu time spent up to now is 138.7 secs Computing kpt #: 103 total cpu time spent up to now is 140.0 secs Computing kpt #: 104 total cpu time spent up to now is 141.1 secs Computing kpt #: 105 total cpu time spent up to now is 142.3 secs Computing kpt #: 106 total cpu time spent up to now is 143.4 secs Computing kpt #: 107 total cpu time spent up to now is 144.6 secs Computing kpt #: 108 total cpu time spent up to now is 145.7 secs Computing kpt #: 109 total cpu time spent up to now is 146.8 secs Computing kpt #: 110 total cpu time spent up to now is 147.9 secs Computing kpt #: 111 total cpu time spent up to now is 149.1 secs Computing kpt #: 112 total cpu time spent up to now is 150.3 secs Computing kpt #: 113 total cpu time spent up to now is 151.5 secs Computing kpt #: 114 total cpu time spent up to now is 152.7 secs Computing kpt #: 115 total cpu time spent up to now is 154.0 secs Computing kpt #: 116 total cpu time spent up to now is 155.2 secs Computing kpt #: 117 total cpu time spent up to now is 156.5 secs Computing kpt #: 118 total cpu time spent up to now is 157.8 secs Computing kpt #: 119 total cpu time spent up to now is 159.0 secs Computing kpt #: 120 total cpu time spent up to now is 160.3 secs Computing kpt #: 121 total cpu time spent up to now is 161.7 secs Computing kpt #: 122 total cpu time spent up to now is 163.1 secs Computing kpt #: 123 total cpu time spent up to now is 164.4 secs Computing kpt #: 124 total cpu time spent up to now is 165.8 secs Computing kpt #: 125 total cpu time spent up to now is 167.1 secs Computing kpt #: 126 total cpu time spent up to now is 168.3 secs Computing kpt #: 127 total cpu time spent up to now is 169.5 secs Computing kpt #: 128 total cpu time spent up to now is 170.8 secs Computing kpt #: 129 total cpu time spent up to now is 172.0 secs Computing kpt #: 130 total cpu time spent up to now is 173.4 secs Computing kpt #: 131 total cpu time spent up to now is 174.8 secs Computing kpt #: 132 total cpu time spent up to now is 176.1 secs Computing kpt #: 133 total cpu time spent up to now is 177.5 secs Computing kpt #: 134 total cpu time spent up to now is 178.9 secs Computing kpt #: 135 total cpu time spent up to now is 180.3 secs Computing kpt #: 136 total cpu time spent up to now is 181.7 secs Computing kpt #: 137 total cpu time spent up to now is 183.1 secs Computing kpt #: 138 total cpu time spent up to now is 184.5 secs Computing kpt #: 139 total cpu time spent up to now is 185.9 secs Computing kpt #: 140 total cpu time spent up to now is 187.3 secs Computing kpt #: 141 total cpu time spent up to now is 188.7 secs Computing kpt #: 142 total cpu time spent up to now is 190.0 secs Computing kpt #: 143 total cpu time spent up to now is 191.4 secs Computing kpt #: 144 total cpu time spent up to now is 192.8 secs Computing kpt #: 145 total cpu time spent up to now is 194.2 secs Computing kpt #: 146 total cpu time spent up to now is 195.4 secs Computing kpt #: 147 total cpu time spent up to now is 196.6 secs Computing kpt #: 148 total cpu time spent up to now is 197.9 secs Computing kpt #: 149 total cpu time spent up to now is 199.1 secs Computing kpt #: 150 total cpu time spent up to now is 200.3 secs Computing kpt #: 151 total cpu time spent up to now is 201.5 secs Computing kpt #: 152 total cpu time spent up to now is 202.7 secs Computing kpt #: 153 total cpu time spent up to now is 203.8 secs Computing kpt #: 154 total cpu time spent up to now is 205.0 secs Computing kpt #: 155 total cpu time spent up to now is 206.1 secs Computing kpt #: 156 total cpu time spent up to now is 207.2 secs Computing kpt #: 157 total cpu time spent up to now is 208.4 secs Computing kpt #: 158 total cpu time spent up to now is 209.5 secs Computing kpt #: 159 total cpu time spent up to now is 210.7 secs Computing kpt #: 160 total cpu time spent up to now is 211.8 secs Computing kpt #: 161 total cpu time spent up to now is 213.0 secs Computing kpt #: 162 total cpu time spent up to now is 214.1 secs Computing kpt #: 163 total cpu time spent up to now is 215.3 secs Computing kpt #: 164 total cpu time spent up to now is 216.5 secs Computing kpt #: 165 total cpu time spent up to now is 217.8 secs Computing kpt #: 166 total cpu time spent up to now is 218.9 secs Computing kpt #: 167 total cpu time spent up to now is 220.1 secs Computing kpt #: 168 total cpu time spent up to now is 221.4 secs Computing kpt #: 169 total cpu time spent up to now is 222.6 secs Computing kpt #: 170 total cpu time spent up to now is 223.8 secs Computing kpt #: 171 total cpu time spent up to now is 225.1 secs Computing kpt #: 172 total cpu time spent up to now is 226.4 secs Computing kpt #: 173 total cpu time spent up to now is 227.6 secs Computing kpt #: 174 total cpu time spent up to now is 228.7 secs Computing kpt #: 175 total cpu time spent up to now is 229.9 secs Computing kpt #: 176 total cpu time spent up to now is 231.1 secs Computing kpt #: 177 total cpu time spent up to now is 232.3 secs Computing kpt #: 178 total cpu time spent up to now is 233.6 secs Computing kpt #: 179 total cpu time spent up to now is 234.8 secs Computing kpt #: 180 total cpu time spent up to now is 236.0 secs Computing kpt #: 181 total cpu time spent up to now is 237.1 secs Computing kpt #: 182 total cpu time spent up to now is 238.2 secs Computing kpt #: 183 total cpu time spent up to now is 239.6 secs Computing kpt #: 184 total cpu time spent up to now is 241.1 secs Computing kpt #: 185 total cpu time spent up to now is 242.4 secs Computing kpt #: 186 total cpu time spent up to now is 243.6 secs Computing kpt #: 187 total cpu time spent up to now is 244.9 secs Computing kpt #: 188 total cpu time spent up to now is 246.2 secs Computing kpt #: 189 total cpu time spent up to now is 247.5 secs Computing kpt #: 190 total cpu time spent up to now is 248.8 secs Computing kpt #: 191 total cpu time spent up to now is 250.1 secs Computing kpt #: 192 total cpu time spent up to now is 251.4 secs Computing kpt #: 193 total cpu time spent up to now is 252.6 secs Computing kpt #: 194 total cpu time spent up to now is 253.9 secs Computing kpt #: 195 total cpu time spent up to now is 255.2 secs Computing kpt #: 196 total cpu time spent up to now is 256.5 secs Computing kpt #: 197 total cpu time spent up to now is 257.7 secs Computing kpt #: 198 total cpu time spent up to now is 258.9 secs Computing kpt #: 199 total cpu time spent up to now is 260.2 secs Computing kpt #: 200 total cpu time spent up to now is 261.5 secs Computing kpt #: 201 total cpu time spent up to now is 262.7 secs Computing kpt #: 202 total cpu time spent up to now is 264.0 secs Computing kpt #: 203 total cpu time spent up to now is 265.2 secs Computing kpt #: 204 total cpu time spent up to now is 266.5 secs Computing kpt #: 205 total cpu time spent up to now is 267.7 secs Computing kpt #: 206 total cpu time spent up to now is 268.9 secs Computing kpt #: 207 total cpu time spent up to now is 270.1 secs Computing kpt #: 208 total cpu time spent up to now is 271.3 secs Computing kpt #: 209 total cpu time spent up to now is 272.5 secs Computing kpt #: 210 total cpu time spent up to now is 273.7 secs Computing kpt #: 211 total cpu time spent up to now is 275.0 secs Computing kpt #: 212 total cpu time spent up to now is 276.2 secs Computing kpt #: 213 total cpu time spent up to now is 277.4 secs Computing kpt #: 214 total cpu time spent up to now is 278.6 secs Computing kpt #: 215 total cpu time spent up to now is 280.0 secs Computing kpt #: 216 total cpu time spent up to now is 281.5 secs Computing kpt #: 217 total cpu time spent up to now is 282.7 secs Computing kpt #: 218 total cpu time spent up to now is 283.8 secs Computing kpt #: 219 total cpu time spent up to now is 284.9 secs Computing kpt #: 220 total cpu time spent up to now is 286.1 secs Computing kpt #: 221 total cpu time spent up to now is 287.3 secs Computing kpt #: 222 total cpu time spent up to now is 288.4 secs Computing kpt #: 223 total cpu time spent up to now is 289.6 secs Computing kpt #: 224 total cpu time spent up to now is 290.8 secs Computing kpt #: 225 total cpu time spent up to now is 291.9 secs Computing kpt #: 226 total cpu time spent up to now is 293.1 secs Computing kpt #: 227 total cpu time spent up to now is 294.4 secs Computing kpt #: 228 total cpu time spent up to now is 295.6 secs Computing kpt #: 229 total cpu time spent up to now is 296.8 secs Computing kpt #: 230 total cpu time spent up to now is 298.1 secs Computing kpt #: 231 total cpu time spent up to now is 299.3 secs Computing kpt #: 232 total cpu time spent up to now is 300.5 secs Computing kpt #: 233 total cpu time spent up to now is 301.7 secs Computing kpt #: 234 total cpu time spent up to now is 302.9 secs Computing kpt #: 235 total cpu time spent up to now is 304.0 secs Computing kpt #: 236 total cpu time spent up to now is 305.2 secs Computing kpt #: 237 total cpu time spent up to now is 306.3 secs Computing kpt #: 238 total cpu time spent up to now is 307.5 secs Computing kpt #: 239 total cpu time spent up to now is 308.6 secs Computing kpt #: 240 total cpu time spent up to now is 309.7 secs Computing kpt #: 241 total cpu time spent up to now is 310.9 secs Computing kpt #: 242 total cpu time spent up to now is 312.1 secs Computing kpt #: 243 total cpu time spent up to now is 313.4 secs Computing kpt #: 244 total cpu time spent up to now is 314.6 secs Computing kpt #: 245 total cpu time spent up to now is 315.8 secs Computing kpt #: 246 total cpu time spent up to now is 317.1 secs Computing kpt #: 247 total cpu time spent up to now is 318.4 secs Computing kpt #: 248 total cpu time spent up to now is 319.6 secs Computing kpt #: 249 total cpu time spent up to now is 320.9 secs Computing kpt #: 250 total cpu time spent up to now is 322.1 secs Computing kpt #: 251 total cpu time spent up to now is 323.4 secs Computing kpt #: 252 total cpu time spent up to now is 324.6 secs Computing kpt #: 253 total cpu time spent up to now is 325.8 secs Computing kpt #: 254 total cpu time spent up to now is 327.0 secs Computing kpt #: 255 total cpu time spent up to now is 328.2 secs Computing kpt #: 256 total cpu time spent up to now is 329.3 secs Computing kpt #: 257 total cpu time spent up to now is 330.4 secs Computing kpt #: 258 total cpu time spent up to now is 331.6 secs Computing kpt #: 259 total cpu time spent up to now is 332.8 secs Computing kpt #: 260 total cpu time spent up to now is 333.9 secs Computing kpt #: 261 total cpu time spent up to now is 335.1 secs Computing kpt #: 262 total cpu time spent up to now is 336.2 secs Computing kpt #: 263 total cpu time spent up to now is 337.4 secs Computing kpt #: 264 total cpu time spent up to now is 338.6 secs Computing kpt #: 265 total cpu time spent up to now is 339.8 secs Computing kpt #: 266 total cpu time spent up to now is 341.1 secs Computing kpt #: 267 total cpu time spent up to now is 342.3 secs Computing kpt #: 268 total cpu time spent up to now is 343.7 secs Computing kpt #: 269 total cpu time spent up to now is 345.0 secs Computing kpt #: 270 total cpu time spent up to now is 346.4 secs Computing kpt #: 271 total cpu time spent up to now is 347.6 secs Computing kpt #: 272 total cpu time spent up to now is 348.7 secs Computing kpt #: 273 total cpu time spent up to now is 349.9 secs Computing kpt #: 274 total cpu time spent up to now is 351.1 secs Computing kpt #: 275 total cpu time spent up to now is 352.2 secs Computing kpt #: 276 total cpu time spent up to now is 353.3 secs Computing kpt #: 277 total cpu time spent up to now is 354.5 secs Computing kpt #: 278 total cpu time spent up to now is 355.6 secs Computing kpt #: 279 total cpu time spent up to now is 356.7 secs Computing kpt #: 280 total cpu time spent up to now is 357.9 secs Computing kpt #: 281 total cpu time spent up to now is 359.0 secs Computing kpt #: 282 total cpu time spent up to now is 360.1 secs Computing kpt #: 283 total cpu time spent up to now is 361.2 secs Computing kpt #: 284 total cpu time spent up to now is 362.3 secs Computing kpt #: 285 total cpu time spent up to now is 363.4 secs Computing kpt #: 286 total cpu time spent up to now is 364.5 secs Computing kpt #: 287 total cpu time spent up to now is 365.6 secs Computing kpt #: 288 total cpu time spent up to now is 366.7 secs Computing kpt #: 289 total cpu time spent up to now is 368.0 secs Computing kpt #: 290 total cpu time spent up to now is 369.3 secs Computing kpt #: 291 total cpu time spent up to now is 370.5 secs Computing kpt #: 292 total cpu time spent up to now is 371.8 secs Computing kpt #: 293 total cpu time spent up to now is 373.0 secs Computing kpt #: 294 total cpu time spent up to now is 374.2 secs Computing kpt #: 295 total cpu time spent up to now is 375.4 secs Computing kpt #: 296 total cpu time spent up to now is 376.5 secs Computing kpt #: 297 total cpu time spent up to now is 377.7 secs Computing kpt #: 298 total cpu time spent up to now is 378.8 secs Computing kpt #: 299 total cpu time spent up to now is 379.9 secs Computing kpt #: 300 total cpu time spent up to now is 381.0 secs Computing kpt #: 301 total cpu time spent up to now is 382.2 secs Computing kpt #: 302 total cpu time spent up to now is 383.2 secs Computing kpt #: 303 total cpu time spent up to now is 384.4 secs Computing kpt #: 304 total cpu time spent up to now is 385.5 secs Computing kpt #: 305 total cpu time spent up to now is 386.6 secs Computing kpt #: 306 total cpu time spent up to now is 387.6 secs ethr = 1.47E-08, avg # of iterations = 19.1 total cpu time spent up to now is 387.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7757 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4031 -6.4031 -6.2982 -6.2982 -4.5208 -4.5208 -4.4201 -4.4201 -4.3271 -4.3271 -4.2278 -4.2278 -2.1648 -2.1648 -1.0529 -1.0529 0.6742 0.6742 0.6978 0.6978 0.7346 0.7346 0.8064 0.8064 1.0281 1.0281 1.0910 1.0910 1.1142 1.1142 1.1839 1.1839 1.2501 1.2501 1.3664 1.3664 2.2038 2.2038 2.2292 2.2292 2.2669 2.2669 2.3141 2.3141 2.8186 2.8186 2.8809 2.8809 4.1472 4.1472 6.0329 6.0329 6.2799 6.2799 7.2702 7.2702 7.7127 7.7127 8.0573 8.0573 8.4134 8.4134 9.4820 9.4820 10.1894 10.1894 10.2214 10.2214 10.9150 10.9150 12.0333 12.0333 12.1365 12.1365 k = 0.0000 0.0139-0.0000 ( 7759 PWs) bands (ev): -19.8807 -19.8807 -19.7045 -19.7045 -15.9004 -15.9004 -15.8868 -15.8868 -6.4033 -6.4033 -6.2980 -6.2980 -4.5210 -4.5210 -4.4211 -4.4211 -4.3262 -4.3262 -4.2278 -4.2278 -2.1639 -2.1639 -1.0527 -1.0527 0.6743 0.6743 0.6979 0.6979 0.7347 0.7347 0.8065 0.8065 1.0279 1.0279 1.0914 1.0914 1.1144 1.1144 1.1838 1.1838 1.2501 1.2501 1.3661 1.3661 2.2041 2.2041 2.2294 2.2294 2.2674 2.2674 2.3143 2.3143 2.8183 2.8183 2.8806 2.8806 4.1482 4.1482 6.0254 6.0254 6.2717 6.2717 7.2701 7.2701 7.7275 7.7275 8.0518 8.0518 8.4055 8.4055 9.4873 9.4873 10.1966 10.1966 10.2312 10.2312 10.9136 10.9136 12.0337 12.0337 12.1363 12.1363 k = 0.0000 0.0278-0.0000 ( 7765 PWs) bands (ev): -19.8802 -19.8802 -19.7045 -19.7045 -15.9008 -15.9008 -15.8873 -15.8873 -6.4041 -6.4041 -6.2977 -6.2977 -4.5218 -4.5218 -4.4238 -4.4238 -4.3237 -4.3237 -4.2279 -4.2279 -2.1611 -2.1611 -1.0519 -1.0519 0.6745 0.6745 0.6983 0.6983 0.7348 0.7348 0.8068 0.8068 1.0272 1.0272 1.0925 1.0925 1.1149 1.1149 1.1836 1.1836 1.2500 1.2500 1.3652 1.3652 2.2052 2.2052 2.2299 2.2299 2.2690 2.2690 2.3150 2.3150 2.8173 2.8173 2.8795 2.8795 4.1511 4.1511 6.0002 6.0002 6.2519 6.2519 7.2698 7.2698 7.7697 7.7697 8.0345 8.0345 8.3841 8.3841 9.5033 9.5033 10.2080 10.2080 10.2694 10.2694 10.9092 10.9092 12.0347 12.0347 12.1357 12.1357 k = 0.0000 0.0417-0.0000 ( 7757 PWs) bands (ev): -19.8794 -19.8794 -19.7045 -19.7045 -15.9014 -15.9014 -15.8881 -15.8881 -6.4054 -6.4054 -6.2971 -6.2971 -4.5232 -4.5232 -4.4279 -4.4279 -4.3199 -4.3199 -4.2281 -4.2281 -2.1564 -2.1564 -1.0507 -1.0507 0.6749 0.6749 0.6990 0.6990 0.7351 0.7351 0.8074 0.8074 1.0262 1.0262 1.0942 1.0942 1.1161 1.1161 1.1833 1.1833 1.2501 1.2501 1.3637 1.3637 2.2069 2.2069 2.2307 2.2307 2.2716 2.2716 2.3161 2.3161 2.8157 2.8157 2.8777 2.8777 4.1559 4.1559 5.9514 5.9514 6.2318 6.2318 7.2686 7.2686 7.8340 7.8340 8.0037 8.0037 8.3543 8.3543 9.5303 9.5303 10.2188 10.2188 10.3371 10.3371 10.9016 10.9016 12.0364 12.0364 12.1349 12.1349 k = 0.0000 0.0556-0.0000 ( 7767 PWs) bands (ev): -19.8782 -19.8782 -19.7044 -19.7044 -15.9023 -15.9023 -15.8891 -15.8891 -6.4070 -6.4070 -6.2964 -6.2964 -4.5251 -4.5251 -4.4327 -4.4327 -4.3154 -4.3154 -4.2284 -4.2284 -2.1498 -2.1498 -1.0491 -1.0491 0.6753 0.6753 0.7000 0.7000 0.7354 0.7354 0.8081 0.8081 1.0249 1.0249 1.0961 1.0961 1.1179 1.1179 1.1829 1.1829 1.2501 1.2501 1.3616 1.3616 2.2094 2.2094 2.2319 2.2319 2.2750 2.2750 2.3177 2.3177 2.8135 2.8135 2.8752 2.8752 4.1624 4.1624 5.8771 5.8771 6.2197 6.2197 7.2660 7.2660 7.9135 7.9135 7.9580 7.9580 8.3224 8.3224 9.5687 9.5687 10.2315 10.2315 10.4271 10.4271 10.8907 10.8907 12.0384 12.0384 12.1338 12.1338 k = 0.0000 0.0694-0.0000 ( 7771 PWs) bands (ev): -19.8768 -19.8768 -19.7044 -19.7044 -15.9034 -15.9034 -15.8904 -15.8904 -6.4091 -6.4091 -6.2955 -6.2955 -4.5277 -4.5277 -4.4379 -4.4379 -4.3104 -4.3104 -4.2287 -4.2287 -2.1413 -2.1413 -1.0470 -1.0470 0.6759 0.6759 0.7012 0.7012 0.7359 0.7359 0.8091 0.8091 1.0236 1.0236 1.0977 1.0977 1.1205 1.1205 1.1824 1.1824 1.2501 1.2501 1.3591 1.3591 2.2126 2.2126 2.2336 2.2336 2.2793 2.2793 2.3198 2.3198 2.8107 2.8107 2.8721 2.8721 4.1704 4.1704 5.7817 5.7817 6.2171 6.2171 7.2615 7.2615 7.8970 7.8970 8.0027 8.0027 8.2931 8.2931 9.6189 9.6189 10.2467 10.2467 10.5340 10.5340 10.8761 10.8761 12.0407 12.0407 12.1327 12.1327 k = 0.0000 0.0833-0.0000 ( 7779 PWs) bands (ev): -19.8749 -19.8749 -19.7043 -19.7043 -15.9048 -15.9048 -15.8921 -15.8921 -6.4114 -6.4114 -6.2946 -6.2946 -4.5310 -4.5310 -4.4429 -4.4429 -4.3055 -4.3055 -4.2293 -4.2293 -2.1310 -2.1310 -1.0444 -1.0444 0.6767 0.6767 0.7027 0.7027 0.7364 0.7364 0.8103 0.8103 1.0223 1.0223 1.0991 1.0991 1.1240 1.1240 1.1817 1.1817 1.2503 1.2503 1.3560 1.3560 2.2164 2.2164 2.2356 2.2356 2.2843 2.2843 2.3224 2.3224 2.8073 2.8073 2.8684 2.8684 4.1796 4.1796 5.6720 5.6720 6.2217 6.2217 7.2542 7.2542 7.8244 7.8244 8.0955 8.0955 8.2680 8.2680 9.6810 9.6810 10.2645 10.2645 10.6533 10.6533 10.8578 10.8578 12.0425 12.0425 12.1315 12.1315 k = 0.0000 0.0972-0.0000 ( 7787 PWs) bands (ev): -19.8728 -19.8728 -19.7043 -19.7043 -15.9064 -15.9064 -15.8939 -15.8939 -6.4139 -6.4139 -6.2938 -6.2938 -4.5350 -4.5350 -4.4475 -4.4475 -4.3008 -4.3008 -4.2301 -4.2301 -2.1187 -2.1187 -1.0415 -1.0415 0.6777 0.6777 0.7045 0.7045 0.7370 0.7370 0.8117 0.8117 1.0212 1.0212 1.1000 1.1000 1.1282 1.1282 1.1810 1.1810 1.2507 1.2507 1.3525 1.3525 2.2208 2.2208 2.2381 2.2381 2.2899 2.2899 2.3254 2.3254 2.8033 2.8033 2.8643 2.8643 4.1897 4.1897 5.5532 5.5532 6.2316 6.2316 7.2431 7.2431 7.7447 7.7447 8.1883 8.1883 8.2469 8.2469 9.7549 9.7549 10.2847 10.2847 10.7811 10.7811 10.8360 10.8360 12.0431 12.0431 12.1300 12.1300 k = 0.0000 0.1111-0.0000 ( 7787 PWs) bands (ev): -19.8704 -19.8704 -19.7042 -19.7042 -15.9082 -15.9082 -15.8961 -15.8961 -6.4166 -6.4166 -6.2930 -6.2930 -4.5397 -4.5397 -4.4514 -4.4514 -4.2964 -4.2964 -4.2312 -4.2312 -2.1046 -2.1046 -1.0383 -1.0383 0.6789 0.6789 0.7065 0.7065 0.7378 0.7378 0.8133 0.8133 1.0201 1.0201 1.1005 1.1005 1.1329 1.1329 1.1801 1.1801 1.2515 1.2515 1.3485 1.3485 2.2259 2.2259 2.2410 2.2410 2.2960 2.2960 2.3290 2.3290 2.7987 2.7987 2.8599 2.8599 4.2003 4.2003 5.4292 5.4292 6.2457 6.2457 7.2260 7.2260 7.6636 7.6636 8.2284 8.2284 8.2787 8.2787 9.8396 9.8396 10.3069 10.3069 10.8104 10.8104 10.9151 10.9151 12.0390 12.0390 12.0985 12.0985 k = 0.0000 0.1250-0.0000 ( 7785 PWs) bands (ev): -19.8677 -19.8677 -19.7042 -19.7042 -15.9102 -15.9102 -15.8984 -15.8984 -6.4193 -6.4193 -6.2923 -6.2923 -4.5449 -4.5449 -4.4546 -4.4546 -4.2926 -4.2926 -4.2326 -4.2326 -2.0886 -2.0886 -1.0348 -1.0348 0.6803 0.6803 0.7087 0.7087 0.7386 0.7386 0.8150 0.8150 1.0194 1.0194 1.1008 1.1008 1.1378 1.1378 1.1791 1.1791 1.2526 1.2526 1.3444 1.3444 2.2315 2.2315 2.2443 2.2443 2.3024 2.3024 2.3331 2.3331 2.7935 2.7935 2.8552 2.8552 4.2110 4.2110 5.3025 5.3025 6.2630 6.2630 7.2003 7.2003 7.5870 7.5870 8.2117 8.2117 8.3647 8.3647 9.9334 9.9334 10.3306 10.3306 10.7831 10.7831 11.0518 11.0518 12.0126 12.0126 12.0616 12.0616 k = 0.0000 0.1389-0.0000 ( 7789 PWs) bands (ev): -19.8647 -19.8647 -19.7042 -19.7042 -15.9123 -15.9123 -15.9010 -15.9010 -6.4220 -6.4220 -6.2918 -6.2918 -4.5505 -4.5505 -4.4571 -4.4571 -4.2894 -4.2894 -4.2344 -4.2344 -2.0708 -2.0708 -1.0311 -1.0311 0.6818 0.6818 0.7112 0.7112 0.7395 0.7395 0.8169 0.8169 1.0190 1.0190 1.1009 1.1009 1.1424 1.1424 1.1781 1.1781 1.2541 1.2541 1.3401 1.3401 2.2377 2.2377 2.2481 2.2481 2.3090 2.3090 2.3378 2.3378 2.7878 2.7878 2.8503 2.8503 4.2213 4.2213 5.1752 5.1752 6.2832 6.2832 7.1625 7.1625 7.5209 7.5209 8.1957 8.1957 8.4455 8.4455 10.0330 10.0330 10.3556 10.3556 10.7561 10.7561 11.1890 11.1890 11.9573 11.9573 12.0496 12.0496 k = 0.0000 0.1528-0.0000 ( 7789 PWs) bands (ev): -19.8615 -19.8615 -19.7042 -19.7042 -15.9147 -15.9147 -15.9038 -15.9038 -6.4247 -6.4247 -6.2916 -6.2916 -4.5564 -4.5564 -4.4588 -4.4588 -4.2868 -4.2868 -4.2368 -4.2368 -2.0512 -2.0512 -1.0272 -1.0272 0.6837 0.6837 0.7139 0.7139 0.7406 0.7406 0.8189 0.8189 1.0188 1.0188 1.1008 1.1008 1.1466 1.1466 1.1770 1.1770 1.2561 1.2561 1.3359 1.3359 2.2444 2.2444 2.2522 2.2522 2.3157 2.3157 2.3430 2.3430 2.7813 2.7813 2.8455 2.8455 4.2305 4.2305 5.0486 5.0486 6.3059 6.3059 7.1108 7.1108 7.4690 7.4690 8.1799 8.1799 8.5210 8.5210 10.1326 10.1326 10.3812 10.3812 10.7339 10.7339 11.3239 11.3239 11.8960 11.8960 12.0398 12.0398 k = 0.0000 0.1667-0.0000 ( 7799 PWs) bands (ev): -19.8580 -19.8580 -19.7043 -19.7043 -15.9172 -15.9172 -15.9067 -15.9067 -6.4272 -6.4272 -6.2916 -6.2916 -4.5623 -4.5623 -4.4598 -4.4598 -4.2848 -4.2848 -4.2397 -4.2397 -2.0297 -2.0297 -1.0233 -1.0233 0.6856 0.6856 0.7167 0.7167 0.7417 0.7417 0.8210 0.8210 1.0191 1.0191 1.1006 1.1006 1.1500 1.1500 1.1758 1.1758 1.2584 1.2584 1.3320 1.3320 2.2515 2.2515 2.2568 2.2568 2.3224 2.3224 2.3487 2.3487 2.7743 2.7743 2.8408 2.8408 4.2383 4.2383 4.9238 4.9238 6.3308 6.3308 7.0469 7.0469 7.4313 7.4313 8.1638 8.1638 8.5914 8.5914 10.2220 10.2220 10.4069 10.4069 10.7254 10.7254 11.4530 11.4530 11.8343 11.8343 12.0272 12.0272 k = 0.0000 0.1806-0.0000 ( 7799 PWs) bands (ev): -19.8542 -19.8542 -19.7044 -19.7044 -15.9198 -15.9198 -15.9098 -15.9098 -6.4296 -6.4296 -6.2920 -6.2920 -4.5682 -4.5682 -4.4602 -4.4602 -4.2835 -4.2835 -4.2433 -4.2433 -2.0065 -2.0065 -1.0194 -1.0194 0.6879 0.6879 0.7198 0.7198 0.7429 0.7429 0.8233 0.8233 1.0197 1.0197 1.1004 1.1004 1.1526 1.1526 1.1745 1.1745 1.2607 1.2607 1.3289 1.3289 2.2590 2.2590 2.2617 2.2617 2.3291 2.3291 2.3548 2.3548 2.7665 2.7665 2.8362 2.8362 4.2438 4.2438 4.8018 4.8018 6.3576 6.3576 6.9756 6.9756 7.4044 7.4044 8.1471 8.1471 8.6573 8.6573 10.2868 10.2868 10.4297 10.4297 10.7459 10.7459 11.5704 11.5704 11.7735 11.7735 12.0132 12.0132 k = 0.0000 0.1944-0.0000 ( 7795 PWs) bands (ev): -19.8503 -19.8503 -19.7046 -19.7046 -15.9226 -15.9226 -15.9130 -15.9130 -6.4317 -6.4317 -6.2927 -6.2927 -4.5737 -4.5737 -4.4600 -4.4600 -4.2829 -4.2829 -4.2475 -4.2475 -1.9816 -1.9816 -1.0156 -1.0156 0.6905 0.6905 0.7230 0.7230 0.7442 0.7442 0.8256 0.8256 1.0207 1.0207 1.1002 1.1002 1.1542 1.1542 1.1732 1.1732 1.2626 1.2626 1.3270 1.3270 2.2664 2.2664 2.2674 2.2674 2.3357 2.3357 2.3612 2.3612 2.7580 2.7580 2.8320 2.8320 4.2465 4.2465 4.6835 4.6835 6.3861 6.3861 6.9019 6.9019 7.3844 7.3844 8.1295 8.1295 8.7191 8.7191 10.3173 10.3173 10.4449 10.4449 10.8074 10.8074 11.6664 11.6664 11.7145 11.7145 12.0046 12.0046 k = 0.0000 0.2083-0.0000 ( 7795 PWs) bands (ev): -19.8461 -19.8461 -19.7049 -19.7049 -15.9254 -15.9254 -15.9164 -15.9164 -6.4336 -6.4336 -6.2937 -6.2937 -4.5788 -4.5788 -4.4594 -4.4594 -4.2829 -4.2829 -4.2525 -4.2525 -1.9549 -1.9549 -1.0121 -1.0121 0.6933 0.6933 0.7263 0.7263 0.7457 0.7457 0.8280 0.8280 1.0220 1.0220 1.0999 1.0999 1.1548 1.1548 1.1717 1.1717 1.2634 1.2634 1.3269 1.3269 2.2723 2.2723 2.2753 2.2753 2.3423 2.3423 2.3678 2.3678 2.7488 2.7488 2.8280 2.8280 4.2454 4.2454 4.5698 4.5698 6.4157 6.4157 6.8299 6.8299 7.3684 7.3684 8.1110 8.1110 8.7777 8.7777 10.3171 10.3171 10.4525 10.4525 10.9043 10.9043 11.6576 11.6576 11.7261 11.7261 12.0128 12.0128 k = 0.0000 0.2222-0.0000 ( 7779 PWs) bands (ev): -19.8418 -19.8418 -19.7052 -19.7052 -15.9283 -15.9283 -15.9198 -15.9198 -6.4352 -6.4352 -6.2951 -6.2951 -4.5834 -4.5834 -4.4583 -4.4583 -4.2835 -4.2835 -4.2583 -4.2583 -1.9267 -1.9267 -1.0089 -1.0089 0.6964 0.6964 0.7298 0.7298 0.7473 0.7473 0.8305 0.8305 1.0238 1.0238 1.0998 1.0998 1.1546 1.1546 1.1703 1.1703 1.2625 1.2625 1.3291 1.3291 2.2782 2.2782 2.2837 2.2837 2.3489 2.3489 2.3745 2.3745 2.7390 2.7390 2.8243 2.8243 4.2392 4.2392 4.4620 4.4620 6.4456 6.4456 6.7631 6.7631 7.3544 7.3544 8.0913 8.0913 8.8334 8.8334 10.2967 10.2967 10.4553 10.4553 11.0210 11.0210 11.6034 11.6034 11.7426 11.7426 12.0411 12.0411 k = 0.0000 0.2361-0.0000 ( 7761 PWs) bands (ev): -19.8372 -19.8372 -19.7057 -19.7057 -15.9313 -15.9313 -15.9233 -15.9233 -6.4364 -6.4364 -6.2968 -6.2968 -4.5874 -4.5874 -4.4569 -4.4569 -4.2847 -4.2847 -4.2648 -4.2648 -1.8970 -1.8970 -1.0062 -1.0062 0.6997 0.6997 0.7334 0.7334 0.7491 0.7491 0.8330 0.8330 1.0260 1.0260 1.0996 1.0996 1.1535 1.1535 1.1688 1.1688 1.2598 1.2598 1.3334 1.3334 2.2843 2.2843 2.2924 2.2924 2.3555 2.3555 2.3810 2.3810 2.7286 2.7286 2.8210 2.8210 4.2252 4.2252 4.3629 4.3629 6.4742 6.4742 6.7050 6.7050 7.3411 7.3411 8.0704 8.0704 8.8868 8.8868 10.2658 10.2658 10.4530 10.4530 11.1459 11.1459 11.5529 11.5529 11.7291 11.7291 12.0751 12.0751 k = 0.0000 0.2500-0.0000 ( 7765 PWs) bands (ev): -19.8326 -19.8326 -19.7062 -19.7062 -15.9343 -15.9343 -15.9268 -15.9268 -6.4372 -6.4372 -6.2990 -6.2990 -4.5906 -4.5906 -4.4551 -4.4551 -4.2865 -4.2865 -4.2720 -4.2720 -1.8657 -1.8657 -1.0041 -1.0041 0.7033 0.7033 0.7370 0.7370 0.7509 0.7509 0.8354 0.8354 1.0286 1.0286 1.0995 1.0995 1.1517 1.1517 1.1672 1.1672 1.2554 1.2554 1.3391 1.3391 2.2906 2.2906 2.3011 2.3011 2.3621 2.3621 2.3874 2.3874 2.7177 2.7177 2.8178 2.8178 4.1941 4.1941 4.2820 4.2820 6.4970 6.4970 6.6611 6.6611 7.3277 7.3277 8.0482 8.0482 8.9383 8.9383 10.2310 10.2310 10.4444 10.4444 11.2701 11.2701 11.5082 11.5082 11.7005 11.7005 12.1043 12.1043 k = 0.0000 0.2639-0.0000 ( 7763 PWs) bands (ev): -19.8278 -19.8278 -19.7069 -19.7069 -15.9373 -15.9373 -15.9303 -15.9303 -6.4377 -6.4377 -6.3015 -6.3015 -4.5931 -4.5931 -4.4529 -4.4529 -4.2891 -4.2891 -4.2796 -4.2796 -1.8332 -1.8332 -1.0027 -1.0027 0.7071 0.7071 0.7406 0.7406 0.7529 0.7529 0.8379 0.8379 1.0316 1.0316 1.0994 1.0994 1.1494 1.1494 1.1656 1.1656 1.2500 1.2500 1.3457 1.3457 2.2972 2.2972 2.3100 2.3100 2.3689 2.3689 2.3935 2.3935 2.7062 2.7062 2.8147 2.8147 4.1316 4.1316 4.2337 4.2337 6.5046 6.5046 6.6416 6.6416 7.3136 7.3136 8.0245 8.0245 8.9879 8.9879 10.1960 10.1960 10.4290 10.4290 11.3739 11.3739 11.4853 11.4853 11.6644 11.6644 12.1287 12.1287 k = 0.0000 0.2778-0.0000 ( 7747 PWs) bands (ev): -19.8229 -19.8229 -19.7078 -19.7078 -15.9402 -15.9402 -15.9337 -15.9337 -6.4378 -6.4378 -6.3044 -6.3044 -4.5947 -4.5947 -4.4505 -4.4505 -4.2934 -4.2934 -4.2869 -4.2869 -1.7994 -1.7994 -1.0023 -1.0023 0.7111 0.7111 0.7441 0.7441 0.7552 0.7552 0.8404 0.8404 1.0351 1.0351 1.0994 1.0994 1.1467 1.1467 1.1641 1.1641 1.2439 1.2439 1.3524 1.3524 2.3040 2.3040 2.3188 2.3188 2.3758 2.3758 2.3994 2.3994 2.6944 2.6944 2.8116 2.8116 4.0539 4.0539 4.2019 4.2019 6.4924 6.4924 6.6515 6.6515 7.2983 7.2983 7.9994 7.9994 9.0361 9.0361 10.1632 10.1632 10.4066 10.4066 11.3872 11.3872 11.5482 11.5482 11.6266 11.6266 12.1506 12.1506 k = 0.0000 0.2917-0.0000 ( 7757 PWs) bands (ev): -19.8179 -19.8179 -19.7087 -19.7087 -15.9432 -15.9432 -15.9372 -15.9372 -6.4374 -6.4374 -6.3077 -6.3077 -4.5955 -4.5955 -4.4478 -4.4478 -4.3009 -4.3009 -4.2920 -4.2920 -1.7644 -1.7644 -1.0029 -1.0029 0.7152 0.7152 0.7475 0.7475 0.7578 0.7578 0.8427 0.8427 1.0388 1.0388 1.0995 1.0995 1.1436 1.1436 1.1626 1.1626 1.2372 1.2372 1.3586 1.3586 2.3110 2.3110 2.3275 2.3275 2.3828 2.3828 2.4052 2.4052 2.6822 2.6822 2.8085 2.8085 3.9773 3.9773 4.1710 4.1710 6.4722 6.4722 6.6792 6.6792 7.2815 7.2815 7.9727 7.9727 9.0827 9.0827 10.1344 10.1344 10.3777 10.3777 11.3564 11.3564 11.5643 11.5643 11.6726 11.6726 12.0939 12.0939 k = 0.0000 0.3056-0.0000 ( 7757 PWs) bands (ev): -19.8128 -19.8128 -19.7099 -19.7099 -15.9460 -15.9460 -15.9405 -15.9405 -6.4366 -6.4366 -6.3113 -6.3113 -4.5953 -4.5953 -4.4450 -4.4450 -4.3105 -4.3105 -4.2960 -4.2960 -1.7285 -1.7285 -1.0048 -1.0048 0.7196 0.7196 0.7507 0.7507 0.7606 0.7606 0.8450 0.8450 1.0431 1.0431 1.0996 1.0996 1.1404 1.1404 1.1612 1.1612 1.2302 1.2302 1.3639 1.3639 2.3181 2.3181 2.3361 2.3361 2.3899 2.3899 2.4110 2.4110 2.6698 2.6698 2.8052 2.8052 3.9058 3.9058 4.1373 4.1373 6.4538 6.4538 6.7147 6.7147 7.2632 7.2632 7.9445 7.9445 9.1278 9.1278 10.1108 10.1108 10.3431 10.3431 11.3228 11.3228 11.5135 11.5135 11.7801 11.7801 12.0142 12.0142 k = 0.0000 0.3194-0.0000 ( 7757 PWs) bands (ev): -19.8077 -19.8077 -19.7112 -19.7112 -15.9488 -15.9488 -15.9438 -15.9438 -6.4354 -6.4354 -6.3153 -6.3153 -4.5942 -4.5942 -4.4419 -4.4419 -4.3210 -4.3210 -4.3000 -4.3000 -1.6918 -1.6918 -1.0079 -1.0079 0.7240 0.7240 0.7537 0.7537 0.7639 0.7639 0.8472 0.8472 1.0478 1.0478 1.0998 1.0998 1.1371 1.1371 1.1599 1.1599 1.2230 1.2230 1.3676 1.3676 2.3255 2.3255 2.3445 2.3445 2.3969 2.3969 2.4172 2.4172 2.6571 2.6571 2.8014 2.8014 3.8407 3.8407 4.1002 4.1002 6.4411 6.4411 6.7535 6.7535 7.2432 7.2432 7.9147 7.9147 9.1714 9.1714 10.0933 10.0933 10.3037 10.3037 11.2913 11.2913 11.4548 11.4548 11.8845 11.8845 11.9362 11.9362 k = 0.0000 0.3333-0.0000 ( 7763 PWs) bands (ev): -19.8025 -19.8025 -19.7126 -19.7126 -15.9515 -15.9515 -15.9469 -15.9469 -6.4338 -6.4338 -6.3196 -6.3196 -4.5921 -4.5921 -4.4388 -4.4388 -4.3320 -4.3320 -4.3042 -4.3042 -1.6543 -1.6543 -1.0126 -1.0126 0.7284 0.7284 0.7563 0.7563 0.7676 0.7676 0.8491 0.8491 1.0528 1.0528 1.1000 1.1000 1.1339 1.1339 1.1589 1.1589 1.2157 1.2157 1.3695 1.3695 2.3330 2.3330 2.3526 2.3526 2.4038 2.4038 2.4241 2.4241 2.6444 2.6444 2.7971 2.7971 3.7826 3.7826 4.0598 4.0598 6.4351 6.4351 6.7941 6.7941 7.2217 7.2217 7.8832 7.8832 9.2134 9.2134 10.0825 10.0825 10.2606 10.2606 11.2630 11.2630 11.3907 11.3907 11.8601 11.8601 11.9829 11.9829 k = 0.0000 0.3472-0.0000 ( 7769 PWs) bands (ev): -19.7974 -19.7974 -19.7143 -19.7143 -15.9540 -15.9540 -15.9499 -15.9499 -6.4317 -6.4317 -6.3242 -6.3242 -4.5892 -4.5892 -4.4357 -4.4357 -4.3433 -4.3433 -4.3086 -4.3086 -1.6164 -1.6164 -1.0190 -1.0190 0.7328 0.7328 0.7587 0.7587 0.7717 0.7717 0.8508 0.8508 1.0582 1.0582 1.1002 1.1002 1.1309 1.1309 1.1581 1.1581 1.2084 1.2084 1.3691 1.3691 2.3406 2.3406 2.3604 2.3604 2.4102 2.4102 2.4323 2.4323 2.6316 2.6316 2.7921 2.7921 3.7316 3.7316 4.0168 4.0168 6.4360 6.4360 6.8350 6.8350 7.1990 7.1990 7.8501 7.8501 9.2540 9.2540 10.0787 10.0787 10.2150 10.2150 11.2383 11.2383 11.3223 11.3223 11.7876 11.7876 12.0726 12.0726 k = 0.0000 0.3611-0.0000 ( 7769 PWs) bands (ev): -19.7923 -19.7923 -19.7161 -19.7161 -15.9564 -15.9564 -15.9527 -15.9527 -6.4292 -6.4292 -6.3291 -6.3291 -4.5852 -4.5852 -4.4329 -4.4329 -4.3546 -4.3546 -4.3133 -4.3133 -1.5781 -1.5781 -1.0271 -1.0271 0.7371 0.7371 0.7609 0.7609 0.7762 0.7762 0.8522 0.8522 1.0640 1.0640 1.1004 1.1004 1.1282 1.1282 1.1579 1.1579 1.2013 1.2013 1.3664 1.3664 2.3483 2.3483 2.3677 2.3677 2.4161 2.4161 2.4421 2.4421 2.6189 2.6189 2.7862 2.7862 3.6876 3.6876 3.9719 3.9719 6.4433 6.4433 6.8750 6.8750 7.1760 7.1760 7.8155 7.8155 9.2931 9.2931 10.0812 10.0812 10.1687 10.1687 11.2175 11.2175 11.2506 11.2506 11.7184 11.7184 12.1529 12.1529 k = 0.0000 0.3750-0.0000 ( 7755 PWs) bands (ev): -19.7872 -19.7872 -19.7181 -19.7181 -15.9586 -15.9586 -15.9553 -15.9553 -6.4263 -6.4263 -6.3342 -6.3342 -4.5804 -4.5804 -4.4307 -4.4307 -4.3654 -4.3654 -4.3182 -4.3182 -1.5397 -1.5397 -1.0371 -1.0371 0.7412 0.7412 0.7627 0.7627 0.7811 0.7811 0.8533 0.8533 1.0699 1.0699 1.1005 1.1005 1.1260 1.1260 1.1583 1.1583 1.1944 1.1944 1.3611 1.3611 2.3560 2.3560 2.3746 2.3746 2.4216 2.4216 2.4537 2.4537 2.6065 2.6065 2.7793 2.7793 3.6507 3.6507 3.9259 3.9259 6.4567 6.4567 6.9119 6.9119 7.1548 7.1548 7.7794 7.7794 9.3309 9.3309 10.0826 10.0826 10.1301 10.1301 11.1759 11.1759 11.2011 11.2011 11.6527 11.6527 12.2223 12.2223 k = 0.0000 0.3889-0.0000 ( 7753 PWs) bands (ev): -19.7821 -19.7821 -19.7204 -19.7204 -15.9607 -15.9607 -15.9577 -15.9577 -6.4230 -6.4230 -6.3395 -6.3395 -4.5746 -4.5746 -4.4297 -4.4297 -4.3750 -4.3750 -4.3232 -4.3232 -1.5013 -1.5013 -1.0490 -1.0490 0.7450 0.7450 0.7643 0.7643 0.7864 0.7864 0.8538 0.8538 1.0760 1.0760 1.1006 1.1006 1.1242 1.1242 1.1594 1.1594 1.1879 1.1879 1.3532 1.3532 2.3637 2.3637 2.3810 2.3810 2.4269 2.4269 2.4667 2.4667 2.5946 2.5946 2.7710 2.7710 3.6204 3.6204 3.8797 3.8797 6.4755 6.4755 6.9414 6.9414 7.1394 7.1394 7.7417 7.7417 9.3677 9.3677 10.0531 10.0531 10.1293 10.1293 11.1001 11.1001 11.1885 11.1885 11.5907 11.5907 12.2796 12.2796 k = 0.0000 0.4028-0.0000 ( 7751 PWs) bands (ev): -19.7771 -19.7771 -19.7228 -19.7228 -15.9625 -15.9625 -15.9599 -15.9599 -6.4193 -6.4193 -6.3449 -6.3449 -4.5679 -4.5679 -4.4311 -4.4311 -4.3822 -4.3822 -4.3285 -4.3285 -1.4632 -1.4632 -1.0631 -1.0631 0.7485 0.7485 0.7656 0.7656 0.7921 0.7921 0.8538 0.8538 1.0819 1.0819 1.1007 1.1007 1.1229 1.1229 1.1611 1.1611 1.1821 1.1821 1.3430 1.3430 2.3712 2.3712 2.3868 2.3868 2.4323 2.4323 2.4809 2.4809 2.5836 2.5836 2.7612 2.7612 3.5968 3.5968 3.8342 3.8342 6.4991 6.4991 6.9563 6.9563 7.1370 7.1370 7.7027 7.7027 9.4039 9.4039 10.0059 10.0059 10.1534 10.1534 11.0232 11.0232 11.1802 11.1802 11.5327 11.5327 12.3241 12.3241 k = 0.0000 0.4167-0.0000 ( 7753 PWs) bands (ev): -19.7722 -19.7722 -19.7255 -19.7255 -15.9640 -15.9640 -15.9619 -15.9619 -6.4152 -6.4152 -6.3506 -6.3506 -4.5604 -4.5604 -4.4359 -4.4359 -4.3860 -4.3860 -4.3339 -4.3339 -1.4256 -1.4256 -1.0793 -1.0793 0.7518 0.7518 0.7665 0.7665 0.7981 0.7981 0.8531 0.8531 1.0875 1.0875 1.1008 1.1008 1.1222 1.1222 1.1624 1.1624 1.1786 1.1786 1.3307 1.3307 2.3782 2.3782 2.3918 2.3918 2.4379 2.4379 2.4952 2.4952 2.5746 2.5746 2.7498 2.7498 3.5794 3.5794 3.7902 3.7902 6.5268 6.5268 6.9515 6.9515 7.1529 7.1529 7.6624 7.6624 9.4399 9.4399 9.9563 9.9563 10.1871 10.1871 10.9461 10.9461 11.1762 11.1762 11.4788 11.4788 12.3574 12.3574 k = 0.0000 0.4306-0.0000 ( 7747 PWs) bands (ev): -19.7675 -19.7675 -19.7283 -19.7283 -15.9654 -15.9654 -15.9636 -15.9636 -6.4109 -6.4109 -6.3563 -6.3563 -4.5521 -4.5521 -4.4439 -4.4439 -4.3864 -4.3864 -4.3393 -4.3393 -1.3886 -1.3886 -1.0976 -1.0976 0.7547 0.7547 0.7671 0.7671 0.8043 0.8043 0.8517 0.8517 1.0923 1.0923 1.1011 1.1011 1.1222 1.1222 1.1608 1.1608 1.1799 1.1799 1.3166 1.3166 2.3847 2.3847 2.3961 2.3961 2.4439 2.4439 2.5070 2.5070 2.5699 2.5699 2.7367 2.7367 3.5681 3.5681 3.7485 3.7485 6.5581 6.5581 6.9305 6.9305 7.1834 7.1834 7.6209 7.6209 9.4761 9.4761 9.9065 9.9065 10.2279 10.2279 10.8694 10.8694 11.1767 11.1767 11.4291 11.4291 12.3824 12.3824 k = 0.0000 0.4444-0.0000 ( 7748 PWs) bands (ev): -19.7628 -19.7628 -19.7314 -19.7314 -15.9664 -15.9664 -15.9650 -15.9650 -6.4062 -6.4062 -6.3621 -6.3621 -4.5431 -4.5431 -4.4540 -4.4540 -4.3843 -4.3843 -4.3448 -4.3448 -1.3525 -1.3525 -1.1181 -1.1181 0.7573 0.7573 0.7673 0.7673 0.8105 0.8105 0.8496 0.8496 1.0959 1.0959 1.1016 1.1016 1.1231 1.1231 1.1565 1.1565 1.1861 1.1861 1.3012 1.3012 2.3904 2.3904 2.3995 2.3995 2.4506 2.4506 2.5122 2.5122 2.5736 2.5736 2.7217 2.7217 3.5626 3.5626 3.7098 3.7098 6.5922 6.5922 6.9002 6.9002 7.2220 7.2220 7.5782 7.5782 9.5130 9.5130 9.8573 9.8573 10.2747 10.2747 10.7936 10.7936 11.1816 11.1816 11.3837 11.3837 12.4019 12.4019 k = 0.0000 0.4583-0.0000 ( 7738 PWs) bands (ev): -19.7583 -19.7583 -19.7347 -19.7347 -15.9672 -15.9672 -15.9662 -15.9662 -6.4013 -6.4013 -6.3679 -6.3679 -4.5333 -4.5333 -4.4653 -4.4653 -4.3809 -4.3809 -4.3504 -4.3504 -1.3176 -1.3176 -1.1408 -1.1408 0.7596 0.7596 0.7672 0.7672 0.8168 0.8168 0.8468 0.8468 1.0983 1.0983 1.1022 1.1022 1.1250 1.1250 1.1514 1.1514 1.1956 1.1956 1.2849 1.2849 2.3952 2.3952 2.4020 2.4020 2.4580 2.4580 2.5094 2.5094 2.5864 2.5864 2.7050 2.7050 3.5628 3.5628 3.6748 3.6748 6.6288 6.6288 6.8648 6.8648 7.2646 7.2646 7.5347 7.5347 9.5509 9.5509 9.8091 9.8091 10.3268 10.3268 10.7192 10.7192 11.1909 11.1909 11.3426 11.3426 12.4181 12.4181 k = 0.0000 0.4722-0.0000 ( 7744 PWs) bands (ev): -19.7539 -19.7539 -19.7381 -19.7381 -15.9678 -15.9678 -15.9671 -15.9671 -6.3961 -6.3961 -6.3738 -6.3738 -4.5229 -4.5229 -4.4771 -4.4771 -4.3766 -4.3766 -4.3559 -4.3559 -1.2839 -1.2839 -1.1656 -1.1656 0.7617 0.7617 0.7667 0.7667 0.8228 0.8228 0.8431 0.8431 1.0998 1.0998 1.1025 1.1025 1.1280 1.1280 1.1461 1.1461 1.2073 1.2073 1.2682 1.2682 2.3989 2.3989 2.4034 2.4034 2.4661 2.4661 2.5022 2.5022 2.6047 2.6047 2.6866 2.6866 3.5685 3.5685 3.6439 3.6439 6.6671 6.6671 6.8267 6.8267 7.3090 7.3090 7.4903 7.4903 9.5901 9.5901 9.7622 9.7622 10.3836 10.3836 10.6467 10.6467 11.2049 11.2049 11.3060 11.3060 12.4322 12.4322 k = 0.0000 0.4861-0.0000 ( 7744 PWs) bands (ev): -19.7497 -19.7497 -19.7418 -19.7418 -15.9680 -15.9680 -15.9677 -15.9677 -6.3907 -6.3907 -6.3795 -6.3795 -4.5120 -4.5120 -4.4889 -4.4889 -4.3718 -4.3718 -4.3614 -4.3614 -1.2517 -1.2517 -1.1924 -1.1924 0.7634 0.7634 0.7659 0.7659 0.8286 0.8286 0.8389 0.8389 1.1009 1.1009 1.1023 1.1023 1.1318 1.1318 1.1410 1.1410 1.2208 1.2208 1.2517 1.2517 2.4016 2.4016 2.4039 2.4039 2.4749 2.4749 2.4934 2.4934 2.6251 2.6251 2.6669 2.6669 3.5797 3.5797 3.6175 3.6175 6.7066 6.7066 6.7871 6.7871 7.3543 7.3543 7.4453 7.4453 9.6307 9.6307 9.7168 9.7168 10.4444 10.4444 10.5764 10.5764 11.2233 11.2233 11.2739 11.2739 12.4448 12.4448 k = 0.0000 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5006 -4.5006 -4.5006 -4.5006 -4.3667 -4.3667 -4.3667 -4.3667 -1.2212 -1.2212 -1.2212 -1.2212 0.7648 0.7648 0.7648 0.7648 0.8339 0.8339 0.8339 0.8339 1.1018 1.1018 1.1018 1.1018 1.1361 1.1361 1.1361 1.1361 1.2357 1.2357 1.2357 1.2357 2.4033 2.4033 2.4033 2.4033 2.4841 2.4841 2.4841 2.4841 2.6462 2.6462 2.6462 2.6462 3.5961 3.5961 3.5961 3.5961 6.7468 6.7468 6.7468 6.7468 7.3999 7.3999 7.3999 7.3999 9.6729 9.6729 9.6729 9.6729 10.5088 10.5088 10.5088 10.5088 11.2464 11.2464 11.2464 11.2464 12.4560 12.4560 k = 0.0000 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5006 -4.5006 -4.5006 -4.5006 -4.3667 -4.3667 -4.3667 -4.3667 -1.2212 -1.2212 -1.2212 -1.2212 0.7648 0.7648 0.7648 0.7648 0.8339 0.8339 0.8339 0.8339 1.1018 1.1018 1.1018 1.1018 1.1361 1.1361 1.1361 1.1361 1.2357 1.2357 1.2357 1.2357 2.4033 2.4033 2.4033 2.4033 2.4841 2.4841 2.4841 2.4841 2.6462 2.6462 2.6462 2.6462 3.5961 3.5961 3.5961 3.5961 6.7468 6.7468 6.7468 6.7468 7.3999 7.3999 7.3999 7.3999 9.6729 9.6729 9.6729 9.6729 10.5088 10.5088 10.5088 10.5088 11.2464 11.2464 11.2464 11.2464 12.4560 12.4560 k = 0.0139 0.5000-0.0000 ( 7746 PWs) bands (ev): -19.7456 -19.7456 -19.7456 -19.7456 -15.9683 -15.9683 -15.9680 -15.9680 -6.3897 -6.3897 -6.3808 -6.3808 -4.5025 -4.5025 -4.4991 -4.4991 -4.3747 -4.3747 -4.3584 -4.3584 -1.2208 -1.2208 -1.2206 -1.2206 0.7622 0.7622 0.7674 0.7674 0.8312 0.8312 0.8367 0.8367 1.1002 1.1002 1.1032 1.1032 1.1352 1.1352 1.1370 1.1370 1.2348 1.2348 1.2374 1.2374 2.4012 2.4012 2.4059 2.4059 2.4761 2.4761 2.4896 2.4896 2.6401 2.6401 2.6553 2.6553 3.5959 3.5959 3.5965 3.5965 6.7410 6.7410 6.7501 6.7501 7.3765 7.3765 7.4025 7.4025 9.6717 9.6717 9.6931 9.6931 10.5088 10.5088 10.5122 10.5122 11.2444 11.2444 11.2466 11.2466 12.4322 12.4322 k = 0.0278 0.5000-0.0000 ( 7750 PWs) bands (ev): -19.7453 -19.7453 -19.7453 -19.7453 -15.9688 -15.9688 -15.9684 -15.9684 -6.3943 -6.3943 -6.3765 -6.3765 -4.5045 -4.5045 -4.4982 -4.4982 -4.3823 -4.3823 -4.3501 -4.3501 -1.2195 -1.2195 -1.2190 -1.2190 0.7595 0.7595 0.7698 0.7698 0.8283 0.8283 0.8394 0.8394 1.0984 1.0984 1.1044 1.1044 1.1341 1.1341 1.1379 1.1379 1.2344 1.2344 1.2397 1.2397 2.3995 2.3995 2.4092 2.4092 2.4670 2.4670 2.4919 2.4919 2.6379 2.6379 2.6666 2.6666 3.5960 3.5960 3.5973 3.5973 6.7324 6.7324 6.7508 6.7508 7.3336 7.3336 7.3847 7.3847 9.6889 9.6889 9.7303 9.7303 10.5123 10.5123 10.5189 10.5189 11.2410 11.2410 11.2453 11.2453 12.3958 12.3958 k = 0.0417 0.5000-0.0000 ( 7742 PWs) bands (ev): -19.7448 -19.7448 -19.7448 -19.7448 -15.9696 -15.9696 -15.9690 -15.9690 -6.3989 -6.3989 -6.3724 -6.3724 -4.5067 -4.5067 -4.4981 -4.4981 -4.3891 -4.3891 -4.3419 -4.3419 -1.2172 -1.2172 -1.2164 -1.2164 0.7569 0.7569 0.7721 0.7721 0.8256 0.8256 0.8420 0.8420 1.0966 1.0966 1.1053 1.1053 1.1332 1.1332 1.1388 1.1388 1.2348 1.2348 1.2425 1.2425 2.3977 2.3977 2.4131 2.4131 2.4577 2.4577 2.4905 2.4905 2.6398 2.6398 2.6793 2.6793 3.5964 3.5964 3.5984 3.5984 6.7210 6.7210 6.7488 6.7488 7.2739 7.2739 7.3482 7.3482 9.7221 9.7221 9.7809 9.7809 10.5197 10.5197 10.5292 10.5292 11.2370 11.2370 11.2434 11.2434 12.3534 12.3534 k = 0.0556 0.5000-0.0000 ( 7738 PWs) bands (ev): -19.7442 -19.7442 -19.7442 -19.7442 -15.9706 -15.9706 -15.9698 -15.9698 -6.4035 -6.4035 -6.3684 -6.3684 -4.5089 -4.5089 -4.4990 -4.4990 -4.3949 -4.3949 -4.3340 -4.3340 -1.2139 -1.2139 -1.2128 -1.2128 0.7542 0.7542 0.7741 0.7741 0.8230 0.8230 0.8444 0.8444 1.0946 1.0946 1.1058 1.1058 1.1325 1.1325 1.1397 1.1397 1.2358 1.2358 1.2458 1.2458 2.3950 2.3950 2.4179 2.4179 2.4495 2.4495 2.4857 2.4857 2.6454 2.6454 2.6929 2.6929 3.5969 3.5969 3.5998 3.5998 6.7063 6.7063 6.7437 6.7437 7.2007 7.2007 7.2960 7.2960 9.7669 9.7669 9.8399 9.8399 10.5316 10.5316 10.5434 10.5434 11.2341 11.2341 11.2424 11.2424 12.3094 12.3094 k = 0.0694 0.5000-0.0000 ( 7730 PWs) bands (ev): -19.7434 -19.7434 -19.7434 -19.7434 -15.9720 -15.9720 -15.9710 -15.9710 -6.4081 -6.4081 -6.3647 -6.3647 -4.5110 -4.5110 -4.5011 -4.5011 -4.3995 -4.3995 -4.3265 -4.3265 -1.2097 -1.2097 -1.2084 -1.2084 0.7515 0.7515 0.7757 0.7757 0.8206 0.8206 0.8468 0.8468 1.0926 1.0926 1.1058 1.1058 1.1322 1.1322 1.1407 1.1407 1.2373 1.2373 1.2495 1.2495 2.3907 2.3907 2.4232 2.4232 2.4437 2.4437 2.4786 2.4786 2.6540 2.6540 2.7070 2.7070 3.5977 3.5977 3.6014 3.6014 6.6877 6.6877 6.7348 6.7348 7.1178 7.1178 7.2317 7.2317 9.8182 9.8182 9.9014 9.9014 10.5484 10.5484 10.5614 10.5614 11.2348 11.2348 11.2447 11.2447 12.2670 12.2670 k = 0.0833 0.5000-0.0000 ( 7730 PWs) bands (ev): -19.7424 -19.7424 -19.7424 -19.7424 -15.9736 -15.9736 -15.9724 -15.9724 -6.4127 -6.4127 -6.3613 -6.3613 -4.5130 -4.5130 -4.5045 -4.5045 -4.4026 -4.4026 -4.3195 -4.3195 -1.2046 -1.2046 -1.2030 -1.2030 0.7488 0.7488 0.7768 0.7768 0.8188 0.8188 0.8490 0.8490 1.0905 1.0905 1.1052 1.1052 1.1324 1.1324 1.1417 1.1417 1.2394 1.2394 1.2536 1.2536 2.3843 2.3843 2.4288 2.4288 2.4411 2.4411 2.4700 2.4700 2.6645 2.6645 2.7212 2.7212 3.5986 3.5986 3.6034 3.6034 6.6645 6.6645 6.7204 6.7204 7.0296 7.0296 7.1593 7.1593 9.8706 9.8706 9.9595 9.9595 10.5696 10.5696 10.5821 10.5821 11.2429 11.2429 11.2538 11.2538 12.2280 12.2280 k = 0.0972 0.5000-0.0000 ( 7738 PWs) bands (ev): -19.7413 -19.7413 -19.7413 -19.7413 -15.9754 -15.9754 -15.9740 -15.9740 -6.4171 -6.4171 -6.3581 -6.3581 -4.5148 -4.5148 -4.5092 -4.5092 -4.4044 -4.4044 -4.3131 -4.3131 -1.1986 -1.1986 -1.1967 -1.1967 0.7461 0.7461 0.7771 0.7771 0.8176 0.8176 0.8511 0.8511 1.0883 1.0883 1.1039 1.1039 1.1331 1.1331 1.1429 1.1429 1.2419 1.2419 1.2579 1.2579 2.3758 2.3758 2.4338 2.4338 2.4417 2.4417 2.4620 2.4620 2.6763 2.6763 2.7354 2.7354 3.5995 3.5995 3.6056 3.6056 6.6355 6.6355 6.6974 6.6974 6.9419 6.9419 7.0826 7.0826 9.9195 9.9195 10.0094 10.0094 10.5926 10.5926 10.6032 10.6032 11.2634 11.2634 11.2742 11.2742 12.1942 12.1942 k = 0.1111 0.5000-0.0000 ( 7738 PWs) bands (ev): -19.7400 -19.7400 -19.7400 -19.7400 -15.9774 -15.9774 -15.9759 -15.9759 -6.4214 -6.4214 -6.3552 -6.3552 -4.5164 -4.5164 -4.5149 -4.5149 -4.4049 -4.4049 -4.3074 -4.3074 -1.1918 -1.1918 -1.1896 -1.1896 0.7434 0.7434 0.7765 0.7765 0.8172 0.8172 0.8532 0.8532 1.0861 1.0861 1.1021 1.1021 1.1343 1.1343 1.1443 1.1443 1.2449 1.2449 1.2625 1.2625 2.3662 2.3662 2.4345 2.4345 2.4448 2.4448 2.4584 2.4584 2.6888 2.6888 2.7493 2.7493 3.6003 3.6003 3.6079 3.6079 6.5995 6.5995 6.6589 6.6589 6.8636 6.8636 7.0055 7.0055 9.9614 9.9614 10.0484 10.0484 10.6127 10.6127 10.6208 10.6208 11.3021 11.3021 11.3111 11.3111 12.1667 12.1667 k = 0.1250 0.5000-0.0000 ( 7734 PWs) bands (ev): -19.7386 -19.7386 -19.7386 -19.7386 -15.9797 -15.9797 -15.9780 -15.9780 -6.4255 -6.4255 -6.3526 -6.3526 -4.5214 -4.5214 -4.5178 -4.5178 -4.4043 -4.4043 -4.3025 -4.3025 -1.1841 -1.1841 -1.1817 -1.1817 0.7407 0.7407 0.7751 0.7751 0.8177 0.8177 0.8553 0.8553 1.0838 1.0838 1.0998 1.0998 1.1361 1.1361 1.1460 1.1460 1.2481 1.2481 1.2672 1.2672 2.3561 2.3561 2.4282 2.4282 2.4499 2.4499 2.4624 2.4624 2.7014 2.7014 2.7629 2.7629 3.6011 3.6011 3.6104 3.6104 6.5548 6.5548 6.5973 6.5973 6.8039 6.8039 6.9314 6.9314 9.9948 9.9948 10.0762 10.0762 10.6243 10.6243 10.6305 10.6305 11.3633 11.3633 11.3684 11.3684 12.1464 12.1464 k = 0.1389 0.5000-0.0000 ( 7746 PWs) bands (ev): -19.7370 -19.7370 -19.7370 -19.7370 -15.9822 -15.9822 -15.9803 -15.9803 -6.4294 -6.4294 -6.3504 -6.3504 -4.5285 -4.5285 -4.5190 -4.5190 -4.4029 -4.4029 -4.2983 -4.2983 -1.1757 -1.1757 -1.1730 -1.1730 0.7379 0.7379 0.7727 0.7727 0.8191 0.8191 0.8573 0.8573 1.0816 1.0816 1.0973 1.0973 1.1383 1.1383 1.1478 1.1478 1.2516 1.2516 1.2719 1.2719 2.3459 2.3459 2.4186 2.4186 2.4566 2.4566 2.4706 2.4706 2.7140 2.7140 2.7758 2.7758 3.6016 3.6016 3.6128 3.6128 6.5006 6.5006 6.5143 6.5143 6.7626 6.7626 6.8631 6.8631 10.0196 10.0196 10.0939 10.0939 10.6243 10.6243 10.6300 10.6300 11.4471 11.4471 11.4477 11.4477 12.1338 12.1338 k = 0.1528 0.5000-0.0000 ( 7730 PWs) bands (ev): -19.7354 -19.7354 -19.7354 -19.7354 -15.9848 -15.9848 -15.9828 -15.9828 -6.4331 -6.4331 -6.3485 -6.3485 -4.5358 -4.5358 -4.5199 -4.5199 -4.4009 -4.4009 -4.2949 -4.2949 -1.1666 -1.1666 -1.1636 -1.1636 0.7353 0.7353 0.7697 0.7697 0.8212 0.8212 0.8593 0.8593 1.0795 1.0795 1.0946 1.0946 1.1408 1.1408 1.1498 1.1498 1.2553 1.2553 1.2768 1.2768 2.3360 2.3360 2.4082 2.4082 2.4645 2.4645 2.4806 2.4806 2.7264 2.7264 2.7881 2.7881 3.6018 3.6018 3.6152 3.6152 6.4196 6.4196 6.4370 6.4370 6.7311 6.7311 6.8017 6.8017 10.0367 10.0367 10.1037 10.1037 10.6124 10.6124 10.6192 10.6192 11.5451 11.5451 11.5525 11.5525 12.1292 12.1292 k = 0.1667 0.5000-0.0000 ( 7740 PWs) bands (ev): -19.7336 -19.7336 -19.7336 -19.7336 -15.9876 -15.9876 -15.9855 -15.9855 -6.4366 -6.4366 -6.3470 -6.3470 -4.5432 -4.5432 -4.5205 -4.5205 -4.3985 -4.3985 -4.2923 -4.2923 -1.1568 -1.1568 -1.1536 -1.1536 0.7325 0.7325 0.7661 0.7661 0.8238 0.8238 0.8614 0.8614 1.0773 1.0773 1.0918 1.0918 1.1435 1.1435 1.1520 1.1520 1.2591 1.2591 1.2817 1.2817 2.3266 2.3266 2.3977 2.3977 2.4735 2.4735 2.4916 2.4916 2.7382 2.7382 2.7997 2.7997 3.6015 3.6015 3.6173 3.6173 6.3204 6.3204 6.3657 6.3657 6.7033 6.7033 6.7468 6.7468 10.0473 10.0473 10.1074 10.1074 10.5906 10.5906 10.5996 10.5996 11.6576 11.6576 11.6725 11.6725 12.1332 12.1332 k = 0.1806 0.5000-0.0000 ( 7740 PWs) bands (ev): -19.7317 -19.7317 -19.7317 -19.7317 -15.9905 -15.9905 -15.9884 -15.9884 -6.4397 -6.4397 -6.3458 -6.3458 -4.5506 -4.5506 -4.5210 -4.5210 -4.3958 -4.3958 -4.2906 -4.2906 -1.1464 -1.1464 -1.1430 -1.1430 0.7298 0.7298 0.7622 0.7622 0.8270 0.8270 0.8635 0.8635 1.0752 1.0752 1.0889 1.0889 1.1465 1.1465 1.1544 1.1544 1.2631 1.2631 1.2865 1.2865 2.3177 2.3177 2.3875 2.3875 2.4835 2.4835 2.5035 2.5035 2.7496 2.7496 2.8105 2.8105 3.6005 3.6005 3.6190 3.6190 6.2208 6.2208 6.2892 6.2892 6.6760 6.6760 6.6967 6.6967 10.0524 10.0524 10.1066 10.1066 10.5616 10.5616 10.5738 10.5738 11.7788 11.7788 11.8016 11.8016 12.1462 12.1462 k = 0.1944 0.5000-0.0000 ( 7744 PWs) bands (ev): -19.7297 -19.7297 -19.7297 -19.7297 -15.9936 -15.9936 -15.9913 -15.9913 -6.4426 -6.4426 -6.3451 -6.3451 -4.5576 -4.5576 -4.5212 -4.5212 -4.3929 -4.3929 -4.2897 -4.2897 -1.1355 -1.1355 -1.1318 -1.1318 0.7270 0.7270 0.7580 0.7580 0.8305 0.8305 0.8658 0.8658 1.0732 1.0732 1.0861 1.0861 1.1497 1.1497 1.1570 1.1570 1.2671 1.2671 1.2913 1.2913 2.3095 2.3095 2.3776 2.3776 2.4945 2.4945 2.5161 2.5161 2.7602 2.7602 2.8205 2.8205 3.5988 3.5988 3.6202 3.6202 6.1229 6.1229 6.2104 6.2104 6.6477 6.6477 6.6495 6.6495 10.0531 10.0531 10.1025 10.1025 10.5278 10.5278 10.5439 10.5439 11.9013 11.9013 11.9324 11.9324 12.1705 12.1705 k = 0.2083 0.5000-0.0000 ( 7748 PWs) bands (ev): -19.7277 -19.7277 -19.7277 -19.7277 -15.9967 -15.9967 -15.9944 -15.9944 -6.4451 -6.4451 -6.3447 -6.3447 -4.5643 -4.5643 -4.5212 -4.5212 -4.3900 -4.3900 -4.2896 -4.2896 -1.1242 -1.1242 -1.1203 -1.1203 0.7243 0.7243 0.7535 0.7535 0.8344 0.8344 0.8682 0.8682 1.0713 1.0713 1.0833 1.0833 1.1529 1.1529 1.1597 1.1597 1.2711 1.2711 1.2960 1.2960 2.3020 2.3020 2.3683 2.3683 2.5062 2.5062 2.5293 2.5293 2.7702 2.7702 2.8296 2.8296 3.5960 3.5960 3.6205 3.6205 6.0282 6.0282 6.1315 6.1315 6.6039 6.6039 6.6179 6.6179 10.0502 10.0502 10.0959 10.0959 10.4911 10.4911 10.5117 10.5117 12.0153 12.0153 12.0520 12.0520 12.2134 12.2134 k = 0.2222 0.5000-0.0000 ( 7744 PWs) bands (ev): -19.7256 -19.7256 -19.7256 -19.7256 -15.9999 -15.9999 -15.9976 -15.9976 -6.4472 -6.4472 -6.3448 -6.3448 -4.5705 -4.5705 -4.5211 -4.5211 -4.3870 -4.3870 -4.2903 -4.2903 -1.1124 -1.1124 -1.1083 -1.1083 0.7215 0.7215 0.7490 0.7490 0.8385 0.8385 0.8707 0.8707 1.0694 1.0694 1.0806 1.0806 1.1564 1.1564 1.1626 1.1626 1.2752 1.2752 1.3006 1.3006 2.2952 2.2952 2.3595 2.3595 2.5186 2.5186 2.5431 2.5431 2.7793 2.7793 2.8378 2.8378 3.5922 3.5922 3.6199 3.6199 5.9377 5.9377 6.0545 6.0545 6.5585 6.5585 6.5861 6.5861 10.0443 10.0443 10.0877 10.0877 10.4530 10.4530 10.4788 10.4788 12.1102 12.1102 12.1396 12.1396 12.2897 12.2897 k = 0.2361 0.5000-0.0000 ( 7746 PWs) bands (ev): -19.7235 -19.7235 -19.7235 -19.7235 -16.0032 -16.0032 -16.0008 -16.0008 -6.4490 -6.4490 -6.3452 -6.3452 -4.5762 -4.5762 -4.5208 -4.5208 -4.3841 -4.3841 -4.2918 -4.2918 -1.1004 -1.1004 -1.0962 -1.0962 0.7187 0.7187 0.7444 0.7444 0.8429 0.8429 0.8735 0.8735 1.0677 1.0677 1.0780 1.0780 1.1599 1.1599 1.1656 1.1656 1.2792 1.2792 1.3051 1.3051 2.2891 2.2891 2.3512 2.3512 2.5317 2.5317 2.5574 2.5574 2.7878 2.7878 2.8451 2.8451 3.5870 3.5870 3.6180 3.6180 5.8522 5.8522 5.9807 5.9807 6.5129 6.5129 6.5523 6.5523 10.0358 10.0358 10.0781 10.0781 10.4146 10.4146 10.4463 10.4463 12.1832 12.1832 12.1962 12.1962 12.3908 12.3908 k = 0.2500 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7214 -19.7214 -19.7214 -19.7214 -16.0064 -16.0064 -16.0041 -16.0041 -6.4504 -6.4504 -6.3461 -6.3461 -4.5812 -4.5812 -4.5205 -4.5205 -4.3814 -4.3814 -4.2940 -4.2940 -1.0882 -1.0882 -1.0838 -1.0838 0.7159 0.7159 0.7398 0.7398 0.8474 0.8474 0.8764 0.8764 1.0660 1.0660 1.0755 1.0755 1.1634 1.1634 1.1687 1.1687 1.2832 1.2832 1.3094 1.3094 2.2837 2.2837 2.3434 2.3434 2.5454 2.5454 2.5720 2.5720 2.7954 2.7954 2.8515 2.8515 3.5804 3.5804 3.6146 3.6146 5.7725 5.7725 5.9111 5.9111 6.4664 6.4664 6.5164 6.5164 10.0251 10.0251 10.0676 10.0676 10.3768 10.3768 10.4148 10.4148 12.2424 12.2424 12.2425 12.2425 12.4867 12.4867 k = 0.2639 0.5000-0.0000 ( 7746 PWs) bands (ev): -19.7192 -19.7192 -19.7192 -19.7192 -16.0097 -16.0097 -16.0073 -16.0073 -6.4514 -6.4514 -6.3473 -6.3473 -4.5856 -4.5856 -4.5201 -4.5201 -4.3787 -4.3787 -4.2967 -4.2967 -1.0758 -1.0758 -1.0713 -1.0713 0.7132 0.7132 0.7352 0.7352 0.8522 0.8522 0.8794 0.8794 1.0644 1.0644 1.0732 1.0732 1.1670 1.1670 1.1719 1.1719 1.2872 1.2872 1.3136 1.3136 2.2791 2.2791 2.3363 2.3363 2.5595 2.5595 2.5870 2.5870 2.8022 2.8022 2.8570 2.8570 3.5723 3.5723 3.6096 3.6096 5.6991 5.6991 5.8466 5.8466 6.4189 6.4189 6.4784 6.4784 10.0128 10.0128 10.0564 10.0564 10.3403 10.3403 10.3848 10.3848 12.2867 12.2867 12.2961 12.2961 12.5619 12.5619 k = 0.2778 0.5000-0.0000 ( 7744 PWs) bands (ev): -19.7171 -19.7171 -19.7171 -19.7171 -16.0130 -16.0130 -16.0106 -16.0106 -6.4520 -6.4520 -6.3490 -6.3490 -4.5893 -4.5893 -4.5197 -4.5197 -4.3762 -4.3762 -4.3001 -4.3001 -1.0634 -1.0634 -1.0589 -1.0589 0.7105 0.7105 0.7307 0.7307 0.8571 0.8571 0.8827 0.8827 1.0629 1.0629 1.0709 1.0709 1.1707 1.1707 1.1751 1.1751 1.2911 1.2911 1.3175 1.3175 2.2751 2.2751 2.3297 2.3297 2.5740 2.5740 2.6022 2.6022 2.8082 2.8082 2.8616 2.8616 3.5626 3.5626 3.6026 3.6026 5.6326 5.6326 5.7879 5.7879 6.3702 6.3702 6.4385 6.4385 9.9992 9.9992 10.0448 10.0448 10.3055 10.3055 10.3565 10.3565 12.3312 12.3312 12.3476 12.3476 12.6036 12.6036 k = 0.2917 0.5000-0.0000 ( 7744 PWs) bands (ev): -19.7150 -19.7150 -19.7150 -19.7150 -16.0161 -16.0161 -16.0138 -16.0138 -6.4522 -6.4522 -6.3510 -6.3510 -4.5922 -4.5922 -4.5194 -4.5194 -4.3739 -4.3739 -4.3039 -4.3039 -1.0511 -1.0511 -1.0465 -1.0465 0.7078 0.7078 0.7264 0.7264 0.8621 0.8621 0.8861 0.8861 1.0614 1.0614 1.0687 1.0687 1.1743 1.1743 1.1783 1.1783 1.2949 1.2949 1.3212 1.3212 2.2719 2.2719 2.3237 2.3237 2.5888 2.5888 2.6175 2.6175 2.8134 2.8134 2.8654 2.8654 3.5513 3.5513 3.5937 3.5937 5.5734 5.5734 5.7354 5.7354 6.3206 6.3206 6.3969 6.3969 9.9848 9.9848 10.0330 10.0330 10.2726 10.2726 10.3301 10.3301 12.3758 12.3758 12.3979 12.3979 12.6376 12.6376 k = 0.3056 0.5000-0.0000 ( 7750 PWs) bands (ev): -19.7130 -19.7130 -19.7130 -19.7130 -16.0192 -16.0192 -16.0170 -16.0170 -6.4519 -6.4519 -6.3534 -6.3534 -4.5944 -4.5944 -4.5193 -4.5193 -4.3718 -4.3718 -4.3081 -4.3081 -1.0390 -1.0390 -1.0344 -1.0344 0.7052 0.7052 0.7221 0.7221 0.8673 0.8673 0.8896 0.8896 1.0600 1.0600 1.0666 1.0666 1.1780 1.1780 1.1816 1.1816 1.2986 1.2986 1.3247 1.3247 2.2693 2.2693 2.3183 2.3183 2.6039 2.6039 2.6329 2.6329 2.8178 2.8178 2.8683 2.8683 3.5384 3.5384 3.5827 3.5827 5.5218 5.5218 5.6893 5.6893 6.2699 6.2699 6.3536 6.3536 9.9701 9.9701 10.0212 10.0212 10.2418 10.2418 10.3052 10.3052 12.4201 12.4201 12.4469 12.4469 12.6721 12.6721 k = 0.3194 0.5000-0.0000 ( 7760 PWs) bands (ev): -19.7110 -19.7110 -19.7110 -19.7110 -16.0223 -16.0223 -16.0201 -16.0201 -6.4513 -6.4513 -6.3561 -6.3561 -4.5959 -4.5959 -4.5193 -4.5193 -4.3698 -4.3698 -4.3126 -4.3126 -1.0271 -1.0271 -1.0225 -1.0225 0.7027 0.7027 0.7180 0.7180 0.8724 0.8724 0.8932 0.8932 1.0587 1.0587 1.0646 1.0646 1.1815 1.1815 1.1847 1.1847 1.3022 1.3022 1.3279 1.3279 2.2674 2.2674 2.3134 2.3134 2.6190 2.6190 2.6483 2.6483 2.8215 2.8215 2.8703 2.8703 3.5241 3.5241 3.5697 3.5697 5.4781 5.4781 5.6500 5.6500 6.2185 6.2185 6.3091 6.3091 9.9556 9.9556 10.0095 10.0095 10.2132 10.2132 10.2818 10.2818 12.4638 12.4638 12.4941 12.4941 12.7109 12.7109 k = 0.3333 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7091 -19.7091 -19.7091 -19.7091 -16.0251 -16.0251 -16.0231 -16.0231 -6.4502 -6.4502 -6.3592 -6.3592 -4.5965 -4.5965 -4.5196 -4.5196 -4.3681 -4.3681 -4.3172 -4.3172 -1.0155 -1.0155 -1.0111 -1.0111 0.7003 0.7003 0.7141 0.7141 0.8776 0.8776 0.8969 0.8969 1.0574 1.0574 1.0627 1.0627 1.1850 1.1850 1.1879 1.1879 1.3057 1.3057 1.3308 1.3308 2.2661 2.2661 2.3090 2.3090 2.6341 2.6341 2.6635 2.6635 2.8244 2.8244 2.8716 2.8716 3.5086 3.5086 3.5547 3.5547 5.4422 5.4422 5.6174 5.6174 6.1666 6.1666 6.2635 6.2635 9.9417 9.9417 9.9983 9.9983 10.1868 10.1868 10.2596 10.2596 12.5069 12.5069 12.5395 12.5395 12.7556 12.7556 k = 0.3472 0.5000-0.0000 ( 7762 PWs) bands (ev): -19.7072 -19.7072 -19.7072 -19.7072 -16.0279 -16.0279 -16.0259 -16.0259 -6.4487 -6.4487 -6.3625 -6.3625 -4.5965 -4.5965 -4.5203 -4.5203 -4.3666 -4.3666 -4.3220 -4.3220 -1.0045 -1.0045 -1.0002 -1.0002 0.6980 0.6980 0.7103 0.7103 0.8828 0.8828 0.9006 0.9006 1.0562 1.0562 1.0609 1.0609 1.1884 1.1884 1.1909 1.1909 1.3091 1.3091 1.3334 1.3334 2.2654 2.2654 2.3050 2.3050 2.6491 2.6491 2.6785 2.6785 2.8265 2.8265 2.8721 2.8721 3.4922 3.4922 3.5381 3.5381 5.4141 5.4141 5.5915 5.5915 6.1143 6.1143 6.2171 6.2171 9.9289 9.9289 9.9876 9.9876 10.1625 10.1625 10.2384 10.2384 12.5498 12.5498 12.5837 12.5837 12.8057 12.8057 k = 0.3611 0.5000-0.0000 ( 7758 PWs) bands (ev): -19.7055 -19.7055 -19.7055 -19.7055 -16.0304 -16.0304 -16.0286 -16.0286 -6.4469 -6.4469 -6.3662 -6.3662 -4.5957 -4.5957 -4.5214 -4.5214 -4.3652 -4.3652 -4.3266 -4.3266 -0.9940 -0.9940 -0.9898 -0.9898 0.6959 0.6959 0.7068 0.7068 0.8880 0.8880 0.9043 0.9043 1.0550 1.0550 1.0592 1.0592 1.1917 1.1917 1.1939 1.1939 1.3124 1.3124 1.3357 1.3357 2.2652 2.2652 2.3016 2.3016 2.6639 2.6639 2.6932 2.6932 2.8280 2.8280 2.8718 2.8718 3.4752 3.4752 3.5201 3.5201 5.3938 5.3938 5.5721 5.5721 6.0622 6.0622 6.1702 6.1702 9.9174 9.9174 9.9776 9.9776 10.1404 10.1404 10.2181 10.2181 12.5933 12.5933 12.6279 12.6279 12.8599 12.8599 k = 0.3750 0.5000-0.0000 ( 7758 PWs) bands (ev): -19.7039 -19.7039 -19.7039 -19.7039 -16.0328 -16.0328 -16.0311 -16.0311 -6.4446 -6.4446 -6.3700 -6.3700 -4.5942 -4.5942 -4.5229 -4.5229 -4.3640 -4.3640 -4.3311 -4.3311 -0.9841 -0.9841 -0.9802 -0.9802 0.6940 0.6940 0.7036 0.7036 0.8930 0.8930 0.9078 0.9078 1.0539 1.0539 1.0575 1.0575 1.1948 1.1948 1.1966 1.1966 1.3156 1.3156 1.3376 1.3376 2.2655 2.2655 2.2985 2.2985 2.6784 2.6784 2.7075 2.7075 2.8288 2.8288 2.8708 2.8708 3.4582 3.4582 3.5011 3.5011 5.3808 5.3808 5.5588 5.5588 6.0104 6.0104 6.1231 6.1231 9.9075 9.9075 9.9683 9.9683 10.1204 10.1204 10.1985 10.1985 12.6382 12.6382 12.6731 12.6731 12.9164 12.9164 k = 0.3889 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7025 -19.7025 -19.7024 -19.7024 -16.0350 -16.0350 -16.0334 -16.0334 -6.4420 -6.4420 -6.3742 -6.3742 -4.5920 -4.5920 -4.5249 -4.5249 -4.3630 -4.3630 -4.3354 -4.3354 -0.9750 -0.9750 -0.9714 -0.9714 0.6922 0.6922 0.7006 0.7006 0.8979 0.8979 0.9112 0.9112 1.0529 1.0529 1.0560 1.0560 1.1977 1.1977 1.1992 1.1992 1.3187 1.3187 1.3392 1.3392 2.2662 2.2662 2.2958 2.2958 2.6924 2.6924 2.7213 2.7213 2.8288 2.8288 2.8690 2.8690 3.4414 3.4414 3.4817 3.4817 5.3750 5.3750 5.5511 5.5511 5.9597 5.9597 6.0763 6.0763 9.8994 9.8994 9.9598 9.9598 10.1027 10.1027 10.1796 10.1796 12.6852 12.6852 12.7204 12.7204 12.9732 12.9732 k = 0.4028 0.5000-0.0000 ( 7758 PWs) bands (ev): -19.7011 -19.7011 -19.7011 -19.7011 -16.0369 -16.0369 -16.0355 -16.0355 -6.4391 -6.4391 -6.3785 -6.3785 -4.5892 -4.5892 -4.5275 -4.5275 -4.3620 -4.3620 -4.3394 -4.3394 -0.9666 -0.9666 -0.9634 -0.9634 0.6907 0.6907 0.6979 0.6979 0.9025 0.9025 0.9143 0.9143 1.0519 1.0519 1.0545 1.0545 1.2004 1.2004 1.2016 1.2016 1.3217 1.3217 1.3403 1.3403 2.2673 2.2673 2.2934 2.2934 2.7059 2.7059 2.7343 2.7343 2.8283 2.8283 2.8666 2.8666 3.4255 3.4255 3.4624 3.4624 5.3757 5.3757 5.5485 5.5485 5.9104 5.9104 6.0299 6.0299 9.8933 9.8933 9.9519 9.9519 10.0874 10.0874 10.1614 10.1614 12.7347 12.7347 12.7704 12.7704 13.0286 13.0286 k = 0.4167 0.5000-0.0000 ( 7750 PWs) bands (ev): -19.7000 -19.7000 -19.7000 -19.7000 -16.0386 -16.0386 -16.0374 -16.0374 -6.4358 -6.4358 -6.3829 -6.3829 -4.5858 -4.5858 -4.5306 -4.5306 -4.3612 -4.3612 -4.3430 -4.3430 -0.9592 -0.9592 -0.9563 -0.9563 0.6893 0.6893 0.6954 0.6954 0.9068 0.9068 0.9171 0.9171 1.0511 1.0511 1.0531 1.0531 1.2028 1.2028 1.2037 1.2037 1.3246 1.3246 1.3411 1.3411 2.2687 2.2687 2.2913 2.2913 2.7188 2.7188 2.7465 2.7465 2.8274 2.8274 2.8634 2.8634 3.4109 3.4109 3.4438 3.4438 5.3825 5.3825 5.5500 5.5500 5.8637 5.8637 5.9846 5.9846 9.8891 9.8891 9.9444 9.9444 10.0748 10.0748 10.1440 10.1440 12.7872 12.7872 12.8234 12.8234 13.0808 13.0808 k = 0.4306 0.5000-0.0000 ( 7756 PWs) bands (ev): -19.6990 -19.6990 -19.6989 -19.6989 -16.0400 -16.0400 -16.0390 -16.0390 -6.4322 -6.4322 -6.3875 -6.3875 -4.5820 -4.5820 -4.5342 -4.5342 -4.3605 -4.3605 -4.3461 -4.3461 -0.9528 -0.9528 -0.9503 -0.9503 0.6883 0.6883 0.6933 0.6933 0.9108 0.9108 0.9194 0.9194 1.0503 1.0503 1.0519 1.0519 1.2048 1.2048 1.2056 1.2056 1.3273 1.3273 1.3415 1.3415 2.2704 2.2704 2.2893 2.2893 2.7310 2.7310 2.7575 2.7575 2.8261 2.8261 2.8595 2.8595 3.3981 3.3981 3.4264 3.4264 5.3949 5.3949 5.5541 5.5541 5.8208 5.8208 5.9406 5.9406 9.8869 9.8869 9.9371 9.9371 10.0652 10.0652 10.1275 10.1275 12.8427 12.8427 12.8795 12.8795 13.1282 13.1282 k = 0.4444 0.5000-0.0000 ( 7756 PWs) bands (ev): -19.6981 -19.6981 -19.6981 -19.6981 -16.0412 -16.0412 -16.0404 -16.0404 -6.4284 -6.4284 -6.3922 -6.3922 -4.5777 -4.5777 -4.5382 -4.5382 -4.3597 -4.3597 -4.3489 -4.3489 -0.9474 -0.9474 -0.9454 -0.9454 0.6875 0.6875 0.6914 0.6914 0.9143 0.9143 0.9213 0.9213 1.0496 1.0496 1.0509 1.0509 1.2066 1.2066 1.2071 1.2071 1.3298 1.3298 1.3415 1.3415 2.2722 2.2722 2.2874 2.2874 2.7423 2.7423 2.7669 2.7669 2.8248 2.8248 2.8550 2.8550 3.3875 3.3875 3.4108 3.4108 5.4121 5.4121 5.5585 5.5585 5.7840 5.7840 5.8984 5.8984 9.8866 9.8866 9.9298 9.9298 10.0589 10.0589 10.1120 10.1120 12.9011 12.9011 12.9384 12.9384 13.1692 13.1692 k = 0.4583 0.5000-0.0000 ( 7752 PWs) bands (ev): -19.6975 -19.6975 -19.6975 -19.6975 -16.0421 -16.0421 -16.0415 -16.0415 -6.4244 -6.4244 -6.3969 -6.3969 -4.5730 -4.5730 -4.5427 -4.5427 -4.3590 -4.3590 -4.3512 -4.3512 -0.9430 -0.9430 -0.9415 -0.9415 0.6869 0.6869 0.6899 0.6899 0.9173 0.9173 0.9226 0.9226 1.0491 1.0491 1.0500 1.0500 1.2080 1.2080 1.2084 1.2084 1.3322 1.3322 1.3412 1.3412 2.2742 2.2742 2.2856 2.2856 2.7526 2.7526 2.7741 2.7741 2.8243 2.8243 2.8499 2.8499 3.3795 3.3795 3.3974 3.3974 5.4335 5.4335 5.5593 5.5593 5.7571 5.7571 5.8588 5.8588 9.8881 9.8881 9.9225 9.9225 10.0559 10.0559 10.0979 10.0979 12.9619 12.9619 12.9993 12.9993 13.2021 13.2021 k = 0.4722 0.5000-0.0000 ( 7752 PWs) bands (ev): -19.6970 -19.6970 -19.6970 -19.6970 -16.0427 -16.0427 -16.0423 -16.0423 -6.4201 -6.4201 -6.4017 -6.4017 -4.5680 -4.5680 -4.5475 -4.5475 -4.3582 -4.3582 -4.3532 -4.3532 -0.9398 -0.9398 -0.9388 -0.9388 0.6867 0.6867 0.6886 0.6886 0.9197 0.9197 0.9233 0.9233 1.0488 1.0488 1.0494 1.0494 1.2091 1.2091 1.2093 1.2093 1.3343 1.3343 1.3404 1.3404 2.2761 2.2761 2.2838 2.2838 2.7617 2.7617 2.7780 2.7780 2.8254 2.8254 2.8444 2.8444 3.3745 3.3745 3.3866 3.3866 5.4582 5.4582 5.5522 5.5522 5.7445 5.7445 5.8224 5.8224 9.8912 9.8912 9.9152 9.9152 10.0562 10.0562 10.0853 10.0853 13.0234 13.0234 13.0596 13.0596 13.2256 13.2256 k = 0.4861 0.5000-0.0000 ( 7756 PWs) bands (ev): -19.6967 -19.6967 -19.6967 -19.6967 -16.0431 -16.0431 -16.0428 -16.0428 -6.4157 -6.4157 -6.4064 -6.4064 -4.5629 -4.5629 -4.5526 -4.5526 -4.3573 -4.3573 -4.3548 -4.3548 -0.9378 -0.9378 -0.9373 -0.9373 0.6867 0.6867 0.6877 0.6877 0.9216 0.9216 0.9234 0.9234 1.0486 1.0486 1.0489 1.0489 1.2097 1.2097 1.2098 1.2098 1.3362 1.3362 1.3393 1.3393 2.2781 2.2781 2.2820 2.2820 2.7693 2.7693 2.7782 2.7782 2.8284 2.8284 2.8387 2.8387 3.3727 3.3727 3.3787 3.3787 5.4848 5.4848 5.5353 5.5353 5.7479 5.7479 5.7903 5.7903 9.8958 9.8958 9.9081 9.9081 10.0596 10.0596 10.0745 10.0745 13.0813 13.0813 13.1098 13.1098 13.2406 13.2406 k = 0.5000 0.5000-0.0000 ( 7732 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5577 -4.5577 -4.5577 -4.5577 -4.3561 -4.3561 -4.3561 -4.3561 -0.9370 -0.9370 -0.9370 -0.9370 0.6871 0.6871 0.6871 0.6871 0.9229 0.9229 0.9229 0.9229 1.0487 1.0487 1.0487 1.0487 1.2100 1.2100 1.2100 1.2100 1.3379 1.3379 1.3379 1.3379 2.2801 2.2801 2.2801 2.2801 2.7751 2.7751 2.7751 2.7751 2.8331 2.8331 2.8331 2.8331 3.3741 3.3741 3.3741 3.3741 5.5115 5.5115 5.5115 5.5115 5.7646 5.7646 5.7646 5.7646 9.9015 9.9015 9.9015 9.9015 10.0658 10.0658 10.0658 10.0658 13.1203 13.1203 13.1203 13.1203 13.2622 13.2622 k = 0.5000 0.5000-0.0000 ( 7732 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5577 -4.5577 -4.5577 -4.5577 -4.3561 -4.3561 -4.3561 -4.3561 -0.9370 -0.9370 -0.9370 -0.9370 0.6871 0.6871 0.6871 0.6871 0.9229 0.9229 0.9229 0.9229 1.0487 1.0487 1.0487 1.0487 1.2100 1.2100 1.2100 1.2100 1.3379 1.3379 1.3379 1.3379 2.2801 2.2801 2.2801 2.2801 2.7751 2.7751 2.7751 2.7751 2.8331 2.8331 2.8331 2.8331 3.3741 3.3741 3.3741 3.3741 5.5115 5.5115 5.5115 5.5115 5.7646 5.7646 5.7646 5.7646 9.9015 9.9015 9.9015 9.9015 10.0658 10.0658 10.0658 10.0658 13.1203 13.1203 13.1203 13.1203 13.2622 13.2622 k = 0.4902 0.4902-0.0000 ( 7756 PWs) bands (ev): -19.6968 -19.6968 -19.6966 -19.6966 -16.0431 -16.0431 -16.0428 -16.0428 -6.4157 -6.4157 -6.4064 -6.4064 -4.5629 -4.5629 -4.5526 -4.5526 -4.3573 -4.3573 -4.3548 -4.3548 -0.9383 -0.9383 -0.9368 -0.9368 0.6867 0.6867 0.6877 0.6877 0.9216 0.9216 0.9234 0.9234 1.0486 1.0486 1.0489 1.0489 1.2097 1.2097 1.2099 1.2099 1.3361 1.3361 1.3394 1.3394 2.2781 2.2781 2.2820 2.2820 2.7693 2.7693 2.7783 2.7783 2.8282 2.8282 2.8388 2.8388 3.3726 3.3726 3.3788 3.3788 5.4843 5.4843 5.5360 5.5360 5.7474 5.7474 5.7907 5.7907 9.8957 9.8957 9.9081 9.9081 10.0596 10.0596 10.0745 10.0745 13.0786 13.0786 13.1128 13.1128 13.2361 13.2361 k = 0.4804 0.4804-0.0000 ( 7752 PWs) bands (ev): -19.6973 -19.6973 -19.6966 -19.6966 -16.0427 -16.0427 -16.0423 -16.0423 -6.4201 -6.4201 -6.4017 -6.4017 -4.5682 -4.5682 -4.5474 -4.5474 -4.3582 -4.3582 -4.3532 -4.3532 -0.9423 -0.9423 -0.9364 -0.9364 0.6865 0.6865 0.6889 0.6889 0.9197 0.9197 0.9233 0.9233 1.0487 1.0487 1.0494 1.0494 1.2089 1.2089 1.2094 1.2094 1.3333 1.3333 1.3413 1.3413 2.2758 2.2758 2.2841 2.2841 2.7613 2.7613 2.7789 2.7789 2.8240 2.8240 2.8453 2.8453 3.3743 3.3743 3.3868 3.3868 5.4546 5.4546 5.5580 5.5580 5.7398 5.7398 5.8246 5.8246 9.8908 9.8908 9.9157 9.9157 10.0559 10.0559 10.0854 10.0854 13.0110 13.0110 13.0697 13.0697 13.2193 13.2193 k = 0.4706 0.4706-0.0000 ( 7754 PWs) bands (ev): -19.6983 -19.6983 -19.6967 -19.6967 -16.0421 -16.0421 -16.0415 -16.0415 -6.4244 -6.4244 -6.3969 -6.3969 -4.5734 -4.5734 -4.5423 -4.5423 -4.3591 -4.3591 -4.3511 -4.3511 -0.9489 -0.9489 -0.9357 -0.9357 0.6863 0.6863 0.6905 0.6905 0.9173 0.9173 0.9226 0.9226 1.0489 1.0489 1.0502 1.0502 1.2078 1.2078 1.2086 1.2086 1.3295 1.3295 1.3439 1.3439 2.2731 2.2731 2.2866 2.2866 2.7516 2.7516 2.7770 2.7770 2.8199 2.8199 2.8524 2.8524 3.3790 3.3790 3.3983 3.3983 5.4232 5.4232 5.5782 5.5782 5.7418 5.7418 5.8649 5.8649 9.8868 9.8868 9.9244 9.9244 10.0547 10.0547 10.0982 10.0982 12.9350 12.9350 13.0144 13.0144 13.2052 13.2052 k = 0.4608 0.4608-0.0000 ( 7754 PWs) bands (ev): -19.6995 -19.6995 -19.6967 -19.6967 -16.0412 -16.0412 -16.0404 -16.0404 -6.4286 -6.4286 -6.3920 -6.3920 -4.5787 -4.5787 -4.5372 -4.5372 -4.3600 -4.3600 -4.3486 -4.3486 -0.9580 -0.9580 -0.9349 -0.9349 0.6860 0.6860 0.6928 0.6928 0.9142 0.9142 0.9212 0.9212 1.0492 1.0492 1.0513 1.0513 1.2064 1.2064 1.2075 1.2075 1.3243 1.3243 1.3472 1.3472 2.2699 2.2699 2.2896 2.2896 2.7405 2.7405 2.7729 2.7729 2.8158 2.8158 2.8598 2.8598 3.3865 3.3865 3.4133 3.4133 5.3911 5.3911 5.5972 5.5972 5.7529 5.7529 5.9102 5.9102 9.8840 9.8840 9.9344 9.9344 10.0558 10.0558 10.1124 10.1124 12.8571 12.8571 12.9565 12.9565 13.1894 13.1894 k = 0.4510 0.4510-0.0000 ( 7752 PWs) bands (ev): -19.7011 -19.7011 -19.6968 -19.6968 -16.0400 -16.0400 -16.0390 -16.0390 -6.4327 -6.4327 -6.3871 -6.3871 -4.5839 -4.5839 -4.5321 -4.5321 -4.3609 -4.3609 -4.3457 -4.3457 -0.9698 -0.9698 -0.9339 -0.9339 0.6856 0.6856 0.6957 0.6957 0.9107 0.9107 0.9193 0.9193 1.0496 1.0496 1.0528 1.0528 1.2046 1.2046 1.2060 1.2060 1.3181 1.3181 1.3513 1.3513 2.2661 2.2661 2.2932 2.2932 2.7284 2.7284 2.7668 2.7668 2.8113 2.8113 2.8673 2.8673 3.3967 3.3967 3.4316 3.4316 5.3590 5.3590 5.6160 5.6160 5.7722 5.7722 5.9593 5.9593 9.8826 9.8826 9.9457 9.9457 10.0591 10.0591 10.1277 10.1277 12.7801 12.7801 12.8990 12.8990 13.1710 13.1710 k = 0.4412 0.4412-0.0000 ( 7742 PWs) bands (ev): -19.7031 -19.7031 -19.6968 -19.6968 -16.0385 -16.0385 -16.0373 -16.0373 -6.4366 -6.4366 -6.3821 -6.3821 -4.5891 -4.5891 -4.5270 -4.5270 -4.3619 -4.3619 -4.3423 -4.3423 -0.9840 -0.9840 -0.9326 -0.9326 0.6853 0.6853 0.6992 0.6992 0.9066 0.9066 0.9170 0.9170 1.0500 1.0500 1.0544 1.0544 1.2025 1.2025 1.2043 1.2043 1.3108 1.3108 1.3560 1.3560 2.2617 2.2617 2.2975 2.2975 2.7155 2.7155 2.7591 2.7591 2.8061 2.8061 2.8746 2.8746 3.4095 3.4095 3.4532 3.4532 5.3279 5.3279 5.6354 5.6354 5.7987 5.7987 6.0114 6.0114 9.8830 9.8830 9.9584 9.9584 10.0644 10.0644 10.1436 10.1436 12.7059 12.7059 12.8433 12.8433 13.1498 13.1498 k = 0.4314 0.4314-0.0000 ( 7734 PWs) bands (ev): -19.7054 -19.7054 -19.6969 -19.6969 -16.0368 -16.0368 -16.0354 -16.0354 -6.4403 -6.4403 -6.3772 -6.3772 -4.5942 -4.5942 -4.5218 -4.5218 -4.3630 -4.3630 -4.3385 -4.3385 -1.0007 -1.0007 -0.9313 -0.9313 0.6849 0.6849 0.7031 0.7031 0.9020 0.9020 0.9142 0.9142 1.0506 1.0506 1.0563 1.0563 1.2002 1.2002 1.2024 1.2024 1.3029 1.3029 1.3613 1.3613 2.2569 2.2569 2.3024 2.3024 2.7019 2.7019 2.7500 2.7500 2.8001 2.8001 2.8817 2.8817 3.4247 3.4247 3.4779 3.4779 5.2982 5.2982 5.6559 5.6559 5.8314 5.8314 6.0658 6.0658 9.8854 9.8854 9.9724 9.9724 10.0714 10.0714 10.1596 10.1596 12.6357 12.6357 12.7904 12.7904 13.1260 13.1260 k = 0.4216 0.4216-0.0000 ( 7724 PWs) bands (ev): -19.7081 -19.7081 -19.6970 -19.6970 -16.0348 -16.0348 -16.0332 -16.0332 -6.4438 -6.4438 -6.3722 -6.3722 -4.5993 -4.5993 -4.5167 -4.5167 -4.3641 -4.3641 -4.3342 -4.3342 -1.0199 -1.0199 -0.9300 -0.9300 0.6844 0.6844 0.7074 0.7074 0.8970 0.8970 0.9111 0.9111 1.0512 1.0512 1.0584 1.0584 1.1978 1.1978 1.2001 1.2001 1.2943 1.2943 1.3671 1.3671 2.2517 2.2517 2.3080 2.3080 2.6878 2.6878 2.7396 2.7396 2.7933 2.7933 2.8885 2.8885 3.4423 3.4423 3.5055 3.5055 5.2704 5.2704 5.6783 5.6783 5.8695 5.8695 6.1219 6.1219 9.8902 9.8902 9.9876 9.9876 10.0799 10.0799 10.1753 10.1753 12.5708 12.5708 12.7407 12.7407 13.0998 13.0998 k = 0.4118 0.4118-0.0000 ( 7730 PWs) bands (ev): -19.7110 -19.7110 -19.6971 -19.6971 -16.0326 -16.0326 -16.0308 -16.0308 -6.4472 -6.4472 -6.3672 -6.3672 -4.6042 -4.6042 -4.5116 -4.5116 -4.3653 -4.3653 -4.3295 -4.3295 -1.0413 -1.0413 -0.9286 -0.9286 0.6839 0.6839 0.7120 0.7120 0.8916 0.8916 0.9077 0.9077 1.0518 1.0518 1.0606 1.0606 1.1951 1.1951 1.1975 1.1975 1.2853 1.2853 1.3732 1.3732 2.2463 2.2463 2.3144 2.3144 2.6731 2.6731 2.7282 2.7282 2.7854 2.7854 2.8948 2.8948 3.4623 3.4623 3.5358 3.5358 5.2448 5.2448 5.7028 5.7028 5.9121 5.9121 6.1793 6.1793 9.8976 9.8976 10.0038 10.0038 10.0898 10.0898 10.1905 10.1905 12.5120 12.5120 12.6948 12.6948 13.0715 13.0715 k = 0.4020 0.4020-0.0000 ( 7738 PWs) bands (ev): -19.7143 -19.7143 -19.6973 -19.6973 -16.0301 -16.0301 -16.0281 -16.0281 -6.4503 -6.4503 -6.3623 -6.3623 -4.6091 -4.6091 -4.5064 -4.5064 -4.3665 -4.3665 -4.3245 -4.3245 -1.0650 -1.0650 -0.9273 -0.9273 0.6834 0.6834 0.7168 0.7168 0.8858 0.8858 0.9042 0.9042 1.0525 1.0525 1.0630 1.0630 1.1924 1.1924 1.1946 1.1946 1.2762 1.2762 1.3794 1.3794 2.2408 2.2408 2.3214 2.3214 2.6581 2.6581 2.7158 2.7158 2.7766 2.7766 2.9006 2.9006 3.4845 3.4845 3.5686 3.5686 5.2217 5.2217 5.7297 5.7297 5.9586 5.9586 6.2377 6.2377 9.9079 9.9079 10.0210 10.0210 10.1009 10.1009 10.2049 10.2049 12.4604 12.4604 12.6532 12.6532 13.0411 13.0411 k = 0.3922 0.3922-0.0000 ( 7738 PWs) bands (ev): -19.7178 -19.7178 -19.6974 -19.6974 -16.0273 -16.0273 -16.0252 -16.0252 -6.4532 -6.4532 -6.3574 -6.3574 -4.6137 -4.6137 -4.5013 -4.5013 -4.3677 -4.3677 -4.3192 -4.3192 -1.0908 -1.0908 -0.9260 -0.9260 0.6828 0.6828 0.7218 0.7218 0.8798 0.8798 0.9007 0.9007 1.0533 1.0533 1.0656 1.0656 1.1896 1.1896 1.1914 1.1914 1.2672 1.2672 1.3856 1.3856 2.2353 2.2353 2.3291 2.3291 2.6427 2.6427 2.7027 2.7027 2.7668 2.7668 2.9059 2.9059 3.5090 3.5090 3.6035 3.6035 5.2012 5.2012 5.7589 5.7589 6.0083 6.0083 6.2968 6.2968 9.9213 9.9213 10.0388 10.0388 10.1130 10.1130 10.2184 10.2184 12.4166 12.4166 12.6161 12.6161 13.0088 13.0088 k = 0.3824 0.3824-0.0000 ( 7744 PWs) bands (ev): -19.7216 -19.7216 -19.6975 -19.6975 -16.0244 -16.0244 -16.0221 -16.0221 -6.4559 -6.4559 -6.3526 -6.3526 -4.6181 -4.6181 -4.4961 -4.4961 -4.3689 -4.3689 -4.3136 -4.3136 -1.1185 -1.1185 -0.9250 -0.9250 0.6823 0.6823 0.7268 0.7268 0.8734 0.8734 0.8972 0.8972 1.0541 1.0541 1.0684 1.0684 1.1865 1.1865 1.1881 1.1881 1.2585 1.2585 1.3917 1.3917 2.2300 2.2300 2.3375 2.3375 2.6271 2.6271 2.6888 2.6888 2.7559 2.7559 2.9107 2.9107 3.5358 3.5358 3.6403 3.6403 5.1835 5.1835 5.7907 5.7907 6.0608 6.0608 6.3564 6.3564 9.9379 9.9379 10.0570 10.0570 10.1260 10.1260 10.2309 10.2309 12.3811 12.3811 12.5840 12.5840 12.9742 12.9742 k = 0.3725 0.3725-0.0000 ( 7750 PWs) bands (ev): -19.7257 -19.7257 -19.6977 -19.6977 -16.0212 -16.0212 -16.0188 -16.0188 -6.4584 -6.4584 -6.3479 -6.3479 -4.6223 -4.6223 -4.4910 -4.4910 -4.3701 -4.3701 -4.3077 -4.3077 -1.1481 -1.1481 -0.9241 -0.9241 0.6817 0.6817 0.7317 0.7317 0.8669 0.8669 0.8938 0.8938 1.0548 1.0548 1.0713 1.0713 1.1828 1.1828 1.1851 1.1851 1.2504 1.2504 1.3975 1.3975 2.2251 2.2251 2.3465 2.3465 2.6112 2.6112 2.6744 2.6744 2.7440 2.7440 2.9150 2.9150 3.5648 3.5648 3.6788 3.6788 5.1686 5.1686 5.8250 5.8250 6.1153 6.1153 6.4163 6.4163 9.9578 9.9578 10.0754 10.0754 10.1398 10.1398 10.2427 10.2427 12.3543 12.3543 12.5572 12.5572 12.9372 12.9372 k = 0.3627 0.3627-0.0000 ( 7752 PWs) bands (ev): -19.7301 -19.7301 -19.6979 -19.6979 -16.0178 -16.0178 -16.0153 -16.0153 -6.4606 -6.4606 -6.3432 -6.3432 -4.6261 -4.6261 -4.4860 -4.4860 -4.3712 -4.3712 -4.3017 -4.3017 -1.1795 -1.1795 -0.9236 -0.9236 0.6812 0.6812 0.7364 0.7364 0.8603 0.8603 0.8907 0.8907 1.0557 1.0557 1.0743 1.0743 1.1784 1.1784 1.1825 1.1825 1.2429 1.2429 1.4028 1.4028 2.2208 2.2208 2.3562 2.3562 2.5952 2.5952 2.6594 2.6594 2.7311 2.7311 2.9187 2.9187 3.5960 3.5960 3.7187 3.7187 5.1566 5.1566 5.8618 5.8618 6.1714 6.1714 6.4762 6.4762 9.9813 9.9813 10.0938 10.0938 10.1543 10.1543 10.2541 10.2541 12.3364 12.3364 12.5358 12.5358 12.8966 12.8966 k = 0.3529 0.3529-0.0000 ( 7754 PWs) bands (ev): -19.7346 -19.7346 -19.6980 -19.6980 -16.0143 -16.0143 -16.0116 -16.0116 -6.4626 -6.4626 -6.3386 -6.3386 -4.6297 -4.6297 -4.4810 -4.4810 -4.3721 -4.3721 -4.2955 -4.2955 -1.2123 -1.2123 -0.9233 -0.9233 0.6806 0.6806 0.7408 0.7408 0.8536 0.8536 0.8877 0.8877 1.0565 1.0565 1.0776 1.0776 1.1733 1.1733 1.1802 1.1802 1.2364 1.2364 1.4073 1.4073 2.2172 2.2172 2.3664 2.3664 2.5790 2.5790 2.6441 2.6441 2.7174 2.7174 2.9219 2.9219 3.6294 3.6294 3.7597 3.7597 5.1476 5.1476 5.9009 5.9009 6.2286 6.2286 6.5360 6.5360 10.0083 10.0083 10.1120 10.1120 10.1696 10.1696 10.2653 10.2653 12.3272 12.3272 12.5199 12.5199 12.8512 12.8512 k = 0.3431 0.3431-0.0000 ( 7758 PWs) bands (ev): -19.7394 -19.7394 -19.6982 -19.6982 -16.0105 -16.0105 -16.0077 -16.0077 -6.4643 -6.4643 -6.3342 -6.3342 -4.6329 -4.6329 -4.4762 -4.4762 -4.3728 -4.3728 -4.2893 -4.2893 -1.2466 -1.2466 -0.9234 -0.9234 0.6801 0.6801 0.7447 0.7447 0.8468 0.8468 0.8850 0.8850 1.0572 1.0572 1.0811 1.0811 1.1677 1.1677 1.1780 1.1780 1.2308 1.2308 1.4111 1.4111 2.2144 2.2144 2.3773 2.3773 2.5627 2.5627 2.6285 2.6285 2.7027 2.7027 2.9245 2.9245 3.6651 3.6651 3.8015 3.8015 5.1416 5.1416 5.9425 5.9425 6.2863 6.2863 6.5954 6.5954 10.0389 10.0389 10.1298 10.1298 10.1858 10.1858 10.2769 10.2769 12.3266 12.3266 12.5093 12.5093 12.7987 12.7987 k = 0.3333 0.3333-0.0000 ( 7766 PWs) bands (ev): -19.7443 -19.7443 -19.6984 -19.6984 -16.0067 -16.0067 -16.0037 -16.0037 -6.4657 -6.4657 -6.3299 -6.3299 -4.6357 -4.6357 -4.4716 -4.4716 -4.3733 -4.3733 -4.2830 -4.2830 -1.2820 -1.2820 -0.9239 -0.9239 0.6796 0.6796 0.7482 0.7482 0.8401 0.8401 0.8825 0.8825 1.0579 1.0579 1.0848 1.0848 1.1618 1.1618 1.1761 1.1761 1.2261 1.2261 1.4139 1.4139 2.2126 2.2126 2.3886 2.3886 2.5465 2.5465 2.6127 2.6127 2.6872 2.6872 2.9265 2.9265 3.7030 3.7030 3.8438 3.8438 5.1385 5.1385 5.9864 5.9864 6.3440 6.3440 6.6544 6.6544 10.0730 10.0730 10.1472 10.1472 10.2031 10.2031 10.2893 10.2893 12.3339 12.3339 12.5035 12.5035 12.7357 12.7357 k = 0.3235 0.3235-0.0000 ( 7769 PWs) bands (ev): -19.7494 -19.7494 -19.6986 -19.6986 -16.0026 -16.0026 -15.9995 -15.9995 -6.4669 -6.4669 -6.3257 -6.3257 -4.6381 -4.6381 -4.4673 -4.4673 -4.3735 -4.3735 -4.2767 -4.2767 -1.3185 -1.3185 -0.9248 -0.9248 0.6792 0.6792 0.7511 0.7511 0.8334 0.8334 0.8803 0.8803 1.0584 1.0584 1.0888 1.0888 1.1557 1.1557 1.1745 1.1745 1.2225 1.2225 1.4156 1.4156 2.2119 2.2119 2.4003 2.4003 2.5302 2.5302 2.5968 2.5968 2.6710 2.6710 2.9281 2.9281 3.7430 3.7430 3.8864 3.8864 5.1384 5.1384 6.0324 6.0324 6.4015 6.4015 6.7127 6.7127 10.1104 10.1104 10.1642 10.1642 10.2222 10.2222 10.3029 10.3029 12.3482 12.3482 12.5010 12.5010 12.6591 12.6591 k = 0.3137 0.3137-0.0000 ( 7757 PWs) bands (ev): -19.7547 -19.7547 -19.6988 -19.6988 -15.9985 -15.9985 -15.9952 -15.9952 -6.4678 -6.4678 -6.3217 -6.3217 -4.6401 -4.6401 -4.4634 -4.4634 -4.3732 -4.3732 -4.2704 -4.2704 -1.3558 -1.3558 -0.9262 -0.9262 0.6788 0.6788 0.7536 0.7536 0.8268 0.8268 0.8782 0.8782 1.0587 1.0587 1.0931 1.0931 1.1495 1.1495 1.1731 1.1731 1.2198 1.2198 1.4162 1.4162 2.2123 2.2123 2.4124 2.4124 2.5140 2.5140 2.5810 2.5810 2.6542 2.6542 2.9291 2.9291 3.7852 3.7852 3.9291 3.9291 5.1413 5.1413 6.0807 6.0807 6.4584 6.4584 6.7702 6.7702 10.1504 10.1504 10.1810 10.1810 10.2436 10.2436 10.3182 10.3182 12.3676 12.3676 12.4958 12.4958 12.5691 12.5691 k = 0.3039 0.3039-0.0000 ( 7771 PWs) bands (ev): -19.7600 -19.7600 -19.6991 -19.6991 -15.9943 -15.9943 -15.9908 -15.9908 -6.4684 -6.4684 -6.3178 -6.3178 -4.6415 -4.6415 -4.4599 -4.4599 -4.3724 -4.3724 -4.2643 -4.2643 -1.3938 -1.3938 -0.9280 -0.9280 0.6785 0.6785 0.7554 0.7554 0.8203 0.8203 0.8761 0.8761 1.0586 1.0586 1.0976 1.0976 1.1435 1.1435 1.1720 1.1720 1.2180 1.2180 1.4154 1.4154 2.2137 2.2137 2.4247 2.4247 2.4980 2.4980 2.5654 2.5654 2.6369 2.6369 2.9296 2.9296 3.8294 3.8294 3.9716 3.9716 5.1470 5.1470 6.1309 6.1309 6.5144 6.5144 6.8265 6.8265 10.1899 10.1899 10.2000 10.2000 10.2684 10.2684 10.3358 10.3358 12.3862 12.3862 12.4375 12.4375 12.5091 12.5091 k = 0.2941 0.2941-0.0000 ( 7775 PWs) bands (ev): -19.7655 -19.7655 -19.6993 -19.6993 -15.9899 -15.9899 -15.9863 -15.9863 -6.4687 -6.4687 -6.3142 -6.3142 -4.6425 -4.6425 -4.4569 -4.4569 -4.3711 -4.3711 -4.2583 -4.2583 -1.4322 -1.4322 -0.9303 -0.9303 0.6782 0.6782 0.7567 0.7567 0.8139 0.8139 0.8740 0.8740 1.0582 1.0582 1.1024 1.1024 1.1378 1.1378 1.1711 1.1711 1.2169 1.2169 1.4134 1.4134 2.2163 2.2163 2.4367 2.4367 2.4822 2.4822 2.5504 2.5504 2.6191 2.6191 2.9297 2.9297 3.8754 3.8754 4.0139 4.0139 5.1557 5.1557 6.1830 6.1830 6.5695 6.5695 6.8816 6.8816 10.2116 10.2116 10.2359 10.2359 10.2986 10.2986 10.3568 10.3568 12.3044 12.3044 12.3966 12.3966 12.4842 12.4842 k = 0.2843 0.2843-0.0000 ( 7763 PWs) bands (ev): -19.7711 -19.7711 -19.6995 -19.6995 -15.9856 -15.9856 -15.9817 -15.9817 -6.4687 -6.4687 -6.3107 -6.3107 -4.6429 -4.6429 -4.4544 -4.4544 -4.3691 -4.3691 -4.2526 -4.2526 -1.4709 -1.4709 -0.9331 -0.9331 0.6780 0.6780 0.7576 0.7576 0.8077 0.8077 0.8719 0.8719 1.0573 1.0573 1.1075 1.1075 1.1327 1.1327 1.1705 1.1705 1.2167 1.2167 1.4102 1.4102 2.2199 2.2199 2.4473 2.4473 2.4674 2.4674 2.5366 2.5366 2.6010 2.6010 2.9292 2.9292 3.9228 3.9228 4.0560 4.0560 5.1674 5.1674 6.2369 6.2369 6.6237 6.6237 6.9352 6.9352 10.2284 10.2284 10.2721 10.2721 10.3365 10.3365 10.3832 10.3832 12.1588 12.1588 12.3440 12.3440 12.4894 12.4894 k = 0.2745 0.2745-0.0000 ( 7765 PWs) bands (ev): -19.7767 -19.7767 -19.6998 -19.6998 -15.9811 -15.9811 -15.9771 -15.9771 -6.4684 -6.4684 -6.3075 -6.3075 -4.6428 -4.6428 -4.4525 -4.4525 -4.3666 -4.3666 -4.2470 -4.2470 -1.5098 -1.5098 -0.9363 -0.9363 0.6778 0.6778 0.7580 0.7580 0.8015 0.8015 0.8697 0.8697 1.0558 1.0558 1.1127 1.1127 1.1282 1.1282 1.1701 1.1701 1.2172 1.2172 1.4057 1.4057 2.2243 2.2243 2.4474 2.4474 2.4614 2.4614 2.5254 2.5254 2.5828 2.5828 2.9283 2.9283 3.9712 3.9712 4.0980 4.0980 5.1819 5.1819 6.2924 6.2924 6.6770 6.6770 6.9871 6.9871 10.2450 10.2450 10.3014 10.3014 10.3810 10.3810 10.4187 10.4187 12.0009 12.0009 12.2603 12.2603 12.5126 12.5126 k = 0.2647 0.2647-0.0000 ( 7773 PWs) bands (ev): -19.7824 -19.7824 -19.7000 -19.7000 -15.9767 -15.9767 -15.9724 -15.9724 -6.4678 -6.4678 -6.3044 -6.3044 -4.6422 -4.6422 -4.4512 -4.4512 -4.3635 -4.3635 -4.2418 -4.2418 -1.5486 -1.5486 -0.9400 -0.9400 0.6777 0.6777 0.7580 0.7580 0.7955 0.7955 0.8674 0.8674 1.0538 1.0538 1.1180 1.1180 1.1244 1.1244 1.1699 1.1699 1.2185 1.2185 1.4001 1.4001 2.2295 2.2295 2.4337 2.4337 2.4643 2.4643 2.5197 2.5197 2.5645 2.5645 2.9270 2.9270 4.0195 4.0195 4.1408 4.1408 5.1993 5.1993 6.3494 6.3494 6.7297 6.7297 7.0370 7.0370 10.2618 10.2618 10.3247 10.3247 10.4263 10.4263 10.4677 10.4677 11.8357 11.8357 12.1680 12.1680 12.5307 12.5307 k = 0.2549 0.2549-0.0000 ( 7783 PWs) bands (ev): -19.7880 -19.7880 -19.7002 -19.7002 -15.9722 -15.9722 -15.9676 -15.9676 -6.4670 -6.4670 -6.3016 -6.3016 -4.6409 -4.6409 -4.4505 -4.4505 -4.3598 -4.3598 -4.2369 -4.2369 -1.5872 -1.5872 -0.9440 -0.9440 0.6777 0.6777 0.7577 0.7577 0.7896 0.7896 0.8649 0.8649 1.0512 1.0512 1.1212 1.1212 1.1234 1.1234 1.1698 1.1698 1.2205 1.2205 1.3935 1.3935 2.2352 2.2352 2.4190 2.4190 2.4607 2.4607 2.5225 2.5225 2.5463 2.5463 2.9253 2.9253 4.0661 4.0661 4.1856 4.1856 5.2196 5.2196 6.4075 6.4075 6.7823 6.7823 7.0849 7.0849 10.2783 10.2783 10.3438 10.3438 10.4719 10.4719 10.5287 10.5287 11.6668 11.6668 12.0725 12.0725 12.5330 12.5330 k = 0.2451 0.2451-0.0000 ( 7779 PWs) bands (ev): -19.7937 -19.7937 -19.7005 -19.7005 -15.9677 -15.9677 -15.9629 -15.9629 -6.4659 -6.4659 -6.2991 -6.2991 -4.6391 -4.6391 -4.4502 -4.4502 -4.3557 -4.3557 -4.2325 -4.2325 -1.6254 -1.6254 -0.9485 -0.9485 0.6777 0.6777 0.7572 0.7572 0.7839 0.7839 0.8622 0.8622 1.0482 1.0482 1.1188 1.1188 1.1285 1.1285 1.1700 1.1700 1.2232 1.2232 1.3861 1.3861 2.2413 2.2413 2.4043 2.4043 2.4512 2.4512 2.5276 2.5276 2.5326 2.5326 2.9232 2.9232 4.1091 4.1091 4.2339 4.2339 5.2428 5.2428 6.4667 6.4667 6.8350 6.8350 7.1305 7.1305 10.2937 10.2937 10.3596 10.3596 10.5202 10.5202 10.5976 10.5976 11.4974 11.4974 11.9761 11.9761 12.5156 12.5156 k = 0.2353 0.2353-0.0000 ( 7775 PWs) bands (ev): -19.7993 -19.7993 -19.7007 -19.7007 -15.9633 -15.9633 -15.9581 -15.9581 -6.4644 -6.4644 -6.2967 -6.2967 -4.6366 -4.6366 -4.4503 -4.4503 -4.3511 -4.3511 -4.2284 -4.2284 -1.6630 -1.6630 -0.9533 -0.9533 0.6777 0.6777 0.7565 0.7565 0.7783 0.7783 0.8593 0.8593 1.0449 1.0449 1.1169 1.1169 1.1335 1.1335 1.1703 1.1703 1.2267 1.2267 1.3780 1.3780 2.2474 2.2474 2.3900 2.3900 2.4391 2.4391 2.5101 2.5101 2.5451 2.5451 2.9209 2.9209 4.1469 4.1469 4.2874 4.2874 5.2689 5.2689 6.5265 6.5265 6.8884 6.8884 7.1737 7.1737 10.3055 10.3055 10.3734 10.3734 10.5719 10.5719 10.6723 10.6723 11.3309 11.3309 11.8801 11.8801 12.4756 12.4756 k = 0.2255 0.2255-0.0000 ( 7771 PWs) bands (ev): -19.8049 -19.8049 -19.7010 -19.7010 -15.9589 -15.9589 -15.9534 -15.9534 -6.4628 -6.4628 -6.2947 -6.2947 -4.6336 -4.6336 -4.4507 -4.4507 -4.3463 -4.3463 -4.2248 -4.2248 -1.7001 -1.7001 -0.9584 -0.9584 0.6778 0.6778 0.7556 0.7556 0.7727 0.7727 0.8562 0.8562 1.0414 1.0414 1.1154 1.1154 1.1382 1.1382 1.1707 1.1707 1.2307 1.2307 1.3696 1.3696 2.2535 2.2535 2.3760 2.3760 2.4261 2.4261 2.4927 2.4927 2.5596 2.5596 2.9182 2.9182 4.1786 4.1786 4.3464 4.3464 5.2977 5.2977 6.5869 6.5869 6.9430 6.9430 7.2146 7.2146 10.3094 10.3094 10.3864 10.3864 10.6262 10.6262 10.7521 10.7521 11.1717 11.1717 11.7860 11.7860 12.3935 12.3935 k = 0.2157 0.2157-0.0000 ( 7775 PWs) bands (ev): -19.8105 -19.8105 -19.7012 -19.7012 -15.9546 -15.9546 -15.9487 -15.9487 -6.4608 -6.4608 -6.2928 -6.2928 -4.6300 -4.6300 -4.4514 -4.4514 -4.3414 -4.3414 -4.2218 -4.2218 -1.7363 -1.7363 -0.9637 -0.9637 0.6779 0.6779 0.7546 0.7546 0.7673 0.7673 0.8531 0.8531 1.0379 1.0379 1.1141 1.1141 1.1424 1.1424 1.1711 1.1711 1.2353 1.2353 1.3608 1.3608 2.2593 2.2593 2.3624 2.3624 2.4129 2.4129 2.4757 2.4757 2.5750 2.5750 2.9152 2.9152 4.2046 4.2046 4.4105 4.4105 5.3294 5.3294 6.6474 6.6474 6.9994 6.9994 7.2530 7.2530 10.2981 10.2981 10.3996 10.3996 10.6820 10.6820 10.8362 10.8362 11.0263 11.0263 11.6956 11.6956 12.2866 12.2866 k = 0.2059 0.2059-0.0000 ( 7773 PWs) bands (ev): -19.8159 -19.8159 -19.7015 -19.7015 -15.9504 -15.9504 -15.9441 -15.9441 -6.4586 -6.4586 -6.2913 -6.2913 -4.6258 -4.6258 -4.4522 -4.4522 -4.3363 -4.3363 -4.2192 -4.2192 -1.7716 -1.7716 -0.9693 -0.9693 0.6781 0.6781 0.7534 0.7534 0.7620 0.7620 0.8498 0.8498 1.0345 1.0345 1.1132 1.1132 1.1463 1.1463 1.1716 1.1716 1.2403 1.2403 1.3521 1.3521 2.2646 2.2646 2.3492 2.3492 2.4000 2.4000 2.4592 2.4592 2.5910 2.5910 2.9120 2.9120 4.2253 4.2253 4.4790 4.4790 5.3638 5.3638 6.7078 6.7078 7.0580 7.0580 7.2890 7.2890 10.2626 10.2626 10.4121 10.4121 10.7379 10.7379 10.8951 10.8951 10.9335 10.9335 11.6113 11.6113 12.1723 12.1723 k = 0.1961 0.1961-0.0000 ( 7781 PWs) bands (ev): -19.8212 -19.8212 -19.7017 -19.7017 -15.9462 -15.9462 -15.9395 -15.9395 -6.4562 -6.4562 -6.2900 -6.2900 -4.6211 -4.6211 -4.4532 -4.4532 -4.3311 -4.3311 -4.2172 -4.2172 -1.8058 -1.8058 -0.9750 -0.9750 0.6782 0.6782 0.7522 0.7522 0.7567 0.7567 0.8465 0.8465 1.0312 1.0312 1.1123 1.1123 1.1496 1.1496 1.1720 1.1720 1.2453 1.2453 1.3437 1.3437 2.2691 2.2691 2.3365 2.3365 2.3876 2.3876 2.4433 2.4433 2.6073 2.6073 2.9086 2.9086 4.2413 4.2413 4.5515 4.5515 5.4008 5.4008 6.7677 6.7677 7.1191 7.1191 7.3230 7.3230 10.1944 10.1944 10.4209 10.4209 10.7916 10.7916 10.8104 10.8104 11.0216 11.0216 11.5359 11.5359 12.0540 12.0540 k = 0.1863 0.1863-0.0000 ( 7777 PWs) bands (ev): -19.8264 -19.8264 -19.7019 -19.7019 -15.9422 -15.9422 -15.9350 -15.9350 -6.4536 -6.4536 -6.2890 -6.2890 -4.6158 -4.6158 -4.4542 -4.4542 -4.3261 -4.3261 -4.2158 -4.2158 -1.8389 -1.8389 -0.9808 -0.9808 0.6783 0.6783 0.7508 0.7508 0.7517 0.7517 0.8432 0.8432 1.0282 1.0282 1.1117 1.1117 1.1524 1.1524 1.1725 1.1725 1.2502 1.2502 1.3360 1.3360 2.2726 2.2726 2.3243 2.3243 2.3759 2.3759 2.4282 2.4282 2.6238 2.6238 2.9052 2.9052 4.2530 4.2530 4.6274 4.6274 5.4403 5.4403 6.8267 6.8267 7.1830 7.1830 7.3551 7.3551 10.0916 10.0916 10.4225 10.4225 10.7545 10.7545 10.8431 10.8431 11.1192 11.1192 11.4730 11.4730 11.9333 11.9333 k = 0.1765 0.1765-0.0000 ( 7775 PWs) bands (ev): -19.8315 -19.8315 -19.7022 -19.7022 -15.9383 -15.9383 -15.9306 -15.9306 -6.4508 -6.4508 -6.2882 -6.2882 -4.6100 -4.6100 -4.4551 -4.4551 -4.3212 -4.3212 -4.2150 -4.2150 -1.8708 -1.8708 -0.9867 -0.9867 0.6784 0.6784 0.7466 0.7466 0.7496 0.7496 0.8399 0.8399 1.0256 1.0256 1.1110 1.1110 1.1546 1.1546 1.1728 1.1728 1.2545 1.2545 1.3295 1.3295 2.2749 2.2749 2.3125 2.3125 2.3651 2.3651 2.4138 2.4138 2.6404 2.6404 2.9016 2.9016 4.2608 4.2608 4.7064 4.7064 5.4822 5.4822 6.8846 6.8846 7.2498 7.2498 7.3858 7.3858 9.9618 9.9618 10.4132 10.4132 10.7276 10.7276 10.8879 10.8879 11.2211 11.2211 11.4267 11.4267 11.8113 11.8113 k = 0.1667 0.1667-0.0000 ( 7781 PWs) bands (ev): -19.8364 -19.8364 -19.7024 -19.7024 -15.9345 -15.9345 -15.9264 -15.9264 -6.4477 -6.4477 -6.2877 -6.2877 -4.6038 -4.6038 -4.4561 -4.4561 -4.3165 -4.3165 -4.2147 -4.2147 -1.9013 -1.9013 -0.9925 -0.9925 0.6785 0.6785 0.7418 0.7418 0.7482 0.7482 0.8366 0.8366 1.0232 1.0232 1.1104 1.1104 1.1561 1.1561 1.1730 1.1730 1.2578 1.2578 1.3247 1.3247 2.2758 2.2758 2.3013 2.3013 2.3554 2.3554 2.4002 2.4002 2.6569 2.6569 2.8979 2.8979 4.2649 4.2649 4.7884 4.7884 5.5264 5.5264 6.9406 6.9406 7.3194 7.3194 7.4159 7.4159 9.8151 9.8151 10.3904 10.3904 10.7189 10.7189 10.9244 10.9244 11.3264 11.3264 11.4003 11.4003 11.6889 11.6889 k = 0.1569 0.1569-0.0000 ( 7787 PWs) bands (ev): -19.8411 -19.8411 -19.7026 -19.7026 -15.9308 -15.9308 -15.9222 -15.9222 -6.4446 -6.4446 -6.2874 -6.2874 -4.5971 -4.5971 -4.4569 -4.4569 -4.3121 -4.3121 -4.2150 -4.2150 -1.9304 -1.9304 -0.9984 -0.9984 0.6786 0.6786 0.7370 0.7370 0.7469 0.7469 0.8335 0.8335 1.0213 1.0213 1.1098 1.1098 1.1568 1.1568 1.1734 1.1734 1.2597 1.2597 1.3220 1.3220 2.2753 2.2753 2.2907 2.2907 2.3469 2.3469 2.3874 2.3874 2.6733 2.6733 2.8943 2.8943 4.2658 4.2658 4.8729 4.8729 5.5726 5.5726 6.9942 6.9942 7.3917 7.3917 7.4463 7.4463 9.6594 9.6594 10.3530 10.3530 10.7208 10.7208 10.9496 10.9496 11.3951 11.3951 11.4346 11.4346 11.5671 11.5671 k = 0.1471 0.1471-0.0000 ( 7785 PWs) bands (ev): -19.8456 -19.8456 -19.7028 -19.7028 -15.9273 -15.9273 -15.9183 -15.9183 -6.4413 -6.4413 -6.2873 -6.2873 -4.5902 -4.5902 -4.4575 -4.4575 -4.3082 -4.3082 -4.2157 -4.2157 -1.9580 -1.9580 -1.0041 -1.0041 0.6786 0.6786 0.7325 0.7325 0.7456 0.7456 0.8304 0.8304 1.0197 1.0197 1.1092 1.1092 1.1565 1.1565 1.1738 1.1738 1.2601 1.2601 1.3215 1.3215 2.2733 2.2733 2.2806 2.2806 2.3395 2.3395 2.3757 2.3757 2.6895 2.6895 2.8907 2.8907 4.2637 4.2637 4.9598 4.9598 5.6205 5.6205 7.0445 7.0445 7.4650 7.4650 7.4791 7.4791 9.4994 9.4994 10.3019 10.3019 10.7288 10.7288 10.9604 10.9604 11.4121 11.4121 11.4440 11.4440 11.5462 11.5462 k = 0.1373 0.1373-0.0000 ( 7793 PWs) bands (ev): -19.8499 -19.8499 -19.7030 -19.7030 -15.9240 -15.9240 -15.9145 -15.9145 -6.4379 -6.4379 -6.2875 -6.2875 -4.5829 -4.5829 -4.4579 -4.4579 -4.3047 -4.3047 -4.2169 -4.2169 -1.9841 -1.9841 -1.0097 -1.0097 0.6786 0.6786 0.7281 0.7281 0.7443 0.7443 0.8275 0.8275 1.0186 1.0186 1.1086 1.1086 1.1550 1.1550 1.1745 1.1745 1.2592 1.2592 1.3231 1.3231 2.2697 2.2697 2.2714 2.2714 2.3330 2.3330 2.3650 2.3650 2.7054 2.7054 2.8873 2.8873 4.2591 4.2591 5.0489 5.0489 5.6700 5.6700 7.0906 7.0906 7.5098 7.5098 7.5448 7.5448 9.3379 9.3379 10.2396 10.2396 10.7403 10.7403 10.9545 10.9545 11.3247 11.3247 11.4487 11.4487 11.6550 11.6550 k = 0.1275 0.1275-0.0000 ( 7789 PWs) bands (ev): -19.8540 -19.8540 -19.7032 -19.7032 -15.9209 -15.9209 -15.9109 -15.9109 -6.4344 -6.4344 -6.2879 -6.2879 -4.5755 -4.5755 -4.4580 -4.4580 -4.3018 -4.3018 -4.2184 -4.2184 -2.0085 -2.0085 -1.0151 -1.0151 0.6785 0.6785 0.7240 0.7240 0.7430 0.7430 0.8247 0.8247 1.0178 1.0178 1.1080 1.1080 1.1526 1.1526 1.1753 1.1753 1.2576 1.2576 1.3263 1.3263 2.2619 2.2619 2.2661 2.2661 2.3271 2.3271 2.3556 2.3556 2.7208 2.7208 2.8841 2.8841 4.2523 4.2523 5.1399 5.1399 5.7206 5.7206 7.1315 7.1315 7.5469 7.5469 7.6232 7.6232 9.1768 9.1768 10.1690 10.1690 10.7542 10.7542 10.9307 10.9307 11.2073 11.2073 11.5012 11.5012 11.7599 11.7599 k = 0.1176 0.1176-0.0000 ( 7789 PWs) bands (ev): -19.8578 -19.8578 -19.7034 -19.7034 -15.9180 -15.9180 -15.9075 -15.9075 -6.4309 -6.4309 -6.2885 -6.2885 -4.5681 -4.5681 -4.4576 -4.4576 -4.2996 -4.2996 -4.2201 -4.2201 -2.0313 -2.0313 -1.0202 -1.0202 0.6784 0.6784 0.7201 0.7201 0.7418 0.7418 0.8221 0.8221 1.0175 1.0175 1.1073 1.1073 1.1492 1.1492 1.1763 1.1763 1.2558 1.2558 1.3303 1.3303 2.2536 2.2536 2.2613 2.2613 2.3212 2.3212 2.3475 2.3475 2.7356 2.7356 2.8811 2.8811 4.2439 4.2439 5.2323 5.2323 5.7720 5.7720 7.1665 7.1665 7.5877 7.5877 7.7031 7.7031 9.0174 9.0174 10.0934 10.0934 10.7695 10.7695 10.8896 10.8896 11.0927 11.0927 11.5665 11.5665 11.8521 11.8521 k = 0.1078 0.1078-0.0000 ( 7781 PWs) bands (ev): -19.8614 -19.8614 -19.7036 -19.7036 -15.9152 -15.9152 -15.9043 -15.9043 -6.4275 -6.4275 -6.2892 -6.2892 -4.5608 -4.5608 -4.4568 -4.4568 -4.2983 -4.2983 -4.2219 -4.2219 -2.0524 -2.0524 -1.0251 -1.0251 0.6781 0.6781 0.7165 0.7165 0.7407 0.7407 0.8197 0.8197 1.0176 1.0176 1.1065 1.1065 1.1452 1.1452 1.1773 1.1773 1.2541 1.2541 1.3348 1.3348 2.2458 2.2458 2.2563 2.2563 2.3151 2.3151 2.3409 2.3409 2.7497 2.7497 2.8784 2.8784 4.2341 4.2341 5.3256 5.3256 5.8239 5.8239 7.1952 7.1952 7.6326 7.6326 7.7838 7.7838 8.8607 8.8607 10.0155 10.0155 10.7853 10.7853 10.8336 10.8336 10.9816 10.9816 11.6415 11.6415 11.9202 11.9202 k = 0.0980 0.0980-0.0000 ( 7785 PWs) bands (ev): -19.8647 -19.8647 -19.7038 -19.7038 -15.9127 -15.9127 -15.9014 -15.9014 -6.4240 -6.4240 -6.2901 -6.2901 -4.5538 -4.5538 -4.4554 -4.4554 -4.2980 -4.2980 -4.2236 -4.2236 -2.0717 -2.0717 -1.0297 -1.0297 0.6778 0.6778 0.7131 0.7131 0.7397 0.7397 0.8174 0.8174 1.0179 1.0179 1.1057 1.1057 1.1406 1.1406 1.1783 1.1783 1.2527 1.2527 1.3395 1.3395 2.2387 2.2387 2.2514 2.2514 2.3087 2.3087 2.3356 2.3356 2.7628 2.7628 2.8762 2.8762 4.2234 4.2234 5.4194 5.4194 5.8758 5.8758 7.2178 7.2178 7.6811 7.6811 7.8646 7.8646 8.7075 8.7075 9.9377 9.9377 10.7631 10.7631 10.8037 10.8037 10.8751 10.8751 11.7235 11.7235 11.9622 11.9622 k = 0.0882 0.0882-0.0000 ( 7793 PWs) bands (ev): -19.8677 -19.8677 -19.7039 -19.7039 -15.9104 -15.9104 -15.8987 -15.8987 -6.4207 -6.4207 -6.2911 -6.2911 -4.5472 -4.5472 -4.4532 -4.4532 -4.2987 -4.2987 -4.2251 -4.2251 -2.0893 -2.0893 -1.0339 -1.0339 0.6775 0.6775 0.7101 0.7101 0.7387 0.7387 0.8153 0.8153 1.0186 1.0186 1.1048 1.1048 1.1359 1.1359 1.1793 1.1793 1.2516 1.2516 1.3440 1.3440 2.2321 2.2321 2.2469 2.2469 2.3022 2.3022 2.3312 2.3312 2.7748 2.7748 2.8746 2.8746 4.2122 4.2122 5.5126 5.5126 5.9273 5.9273 7.2350 7.2350 7.7322 7.7322 7.9446 7.9446 8.5587 8.5587 9.8619 9.8619 10.6870 10.6870 10.7713 10.7713 10.8215 10.8215 11.8101 11.8101 11.9883 11.9883 k = 0.0784 0.0784-0.0000 ( 7797 PWs) bands (ev): -19.8704 -19.8704 -19.7040 -19.7040 -15.9083 -15.9083 -15.8962 -15.8962 -6.4175 -6.4175 -6.2922 -6.2922 -4.5412 -4.5412 -4.4504 -4.4504 -4.3005 -4.3005 -4.2263 -4.2263 -2.1051 -2.1051 -1.0378 -1.0378 0.6770 0.6770 0.7074 0.7074 0.7378 0.7378 0.8134 0.8134 1.0195 1.0195 1.1037 1.1037 1.1312 1.1312 1.1802 1.1802 1.2509 1.2509 1.3483 1.3483 2.2262 2.2262 2.2428 2.2428 2.2958 2.2958 2.3276 2.3276 2.7855 2.7855 2.8735 2.8735 4.2010 4.2010 5.6042 5.6042 5.9782 5.9782 7.2477 7.2477 7.7847 7.7847 8.0230 8.0230 8.4156 8.4156 9.7899 9.7899 10.6064 10.6064 10.6745 10.6745 10.8374 10.8374 11.8985 11.8985 12.0075 12.0075 k = 0.0686 0.0686-0.0000 ( 7795 PWs) bands (ev): -19.8728 -19.8728 -19.7042 -19.7042 -15.9065 -15.9065 -15.8940 -15.8940 -6.4144 -6.4144 -6.2933 -6.2933 -4.5360 -4.5360 -4.4467 -4.4467 -4.3033 -4.3033 -4.2272 -4.2272 -2.1190 -2.1190 -1.0412 -1.0412 0.6765 0.6765 0.7050 0.7050 0.7371 0.7371 0.8118 0.8118 1.0207 1.0207 1.1023 1.1023 1.1268 1.1268 1.1810 1.1810 1.2504 1.2504 1.3523 1.3523 2.2210 2.2210 2.2393 2.2393 2.2897 2.2897 2.3245 2.3245 2.7947 2.7947 2.8732 2.8732 4.1900 4.1900 5.6926 5.6926 6.0281 6.0281 7.2565 7.2565 7.8369 7.8369 8.0986 8.0986 8.2794 8.2794 9.7229 9.7229 10.5257 10.5257 10.5826 10.5826 10.8532 10.8532 11.9824 11.9824 12.0273 12.0273 k = 0.0588 0.0588-0.0000 ( 7773 PWs) bands (ev): -19.8750 -19.8750 -19.7043 -19.7043 -15.9048 -15.9048 -15.8921 -15.8921 -6.4117 -6.4117 -6.2944 -6.2944 -4.5315 -4.5315 -4.4424 -4.4424 -4.3069 -4.3069 -4.2277 -4.2277 -2.1312 -2.1312 -1.0443 -1.0443 0.6761 0.6761 0.7030 0.7030 0.7364 0.7364 0.8104 0.8104 1.0221 1.0221 1.1006 1.1006 1.1230 1.1230 1.1818 1.1818 1.2502 1.2502 1.3559 1.3559 2.2165 2.2165 2.2363 2.2363 2.2842 2.2842 2.3218 2.3218 2.8022 2.8022 2.8737 2.8737 4.1797 4.1797 5.7757 5.7757 6.0769 6.0769 7.2625 7.2625 7.8872 7.8872 8.1457 8.1457 8.1758 8.1758 9.6623 9.6623 10.4484 10.4484 10.4970 10.4970 10.8680 10.8680 12.0216 12.0216 12.0860 12.0860 k = 0.0490 0.0490-0.0000 ( 7777 PWs) bands (ev): -19.8768 -19.8768 -19.7043 -19.7043 -15.9035 -15.9035 -15.8905 -15.8905 -6.4092 -6.4092 -6.2954 -6.2954 -4.5280 -4.5280 -4.4376 -4.4376 -4.3112 -4.3112 -4.2280 -4.2280 -2.1414 -2.1414 -1.0469 -1.0469 0.6756 0.6756 0.7014 0.7014 0.7359 0.7359 0.8091 0.8091 1.0235 1.0235 1.0986 1.0986 1.1199 1.1199 1.1824 1.1824 1.2500 1.2500 1.3590 1.3590 2.2126 2.2126 2.2339 2.2339 2.2792 2.2792 2.3195 2.3195 2.8081 2.8081 2.8748 2.8748 4.1704 4.1704 5.8510 5.8510 6.1245 6.1245 7.2663 7.2663 7.9336 7.9336 8.0323 8.0323 8.2378 8.2378 9.6092 9.6092 10.3773 10.3773 10.4192 10.4192 10.8814 10.8814 12.0308 12.0308 12.1414 12.1414 k = 0.0392 0.0392-0.0000 ( 7761 PWs) bands (ev): -19.8782 -19.8782 -19.7044 -19.7044 -15.9023 -15.9023 -15.8891 -15.8891 -6.4071 -6.4071 -6.2963 -6.2963 -4.5252 -4.5252 -4.4326 -4.4326 -4.3157 -4.3157 -4.2280 -4.2280 -2.1498 -2.1498 -1.0490 -1.0490 0.6752 0.6752 0.7000 0.7000 0.7354 0.7354 0.8082 0.8082 1.0249 1.0249 1.0964 1.0964 1.1176 1.1176 1.1829 1.1829 1.2500 1.2500 1.3617 1.3617 2.2094 2.2094 2.2321 2.2321 2.2750 2.2750 2.3176 2.3176 2.8124 2.8124 2.8763 2.8763 4.1624 4.1624 5.9156 5.9156 6.1701 6.1701 7.2684 7.2684 7.9260 7.9260 7.9765 7.9765 8.2962 8.2962 9.5644 9.5644 10.3147 10.3147 10.3514 10.3514 10.8930 10.8930 12.0344 12.0344 12.1381 12.1381 k = 0.0294 0.0294-0.0000 ( 7771 PWs) bands (ev): -19.8794 -19.8794 -19.7045 -19.7045 -15.9014 -15.9014 -15.8881 -15.8881 -6.4054 -6.4054 -6.2971 -6.2971 -4.5232 -4.5232 -4.4278 -4.4278 -4.3201 -4.3201 -4.2280 -4.2280 -2.1564 -2.1564 -1.0507 -1.0507 0.6748 0.6748 0.6990 0.6990 0.7351 0.7351 0.8074 0.8074 1.0261 1.0261 1.0943 1.0943 1.1160 1.1160 1.1833 1.1833 1.2500 1.2500 1.3636 1.3636 2.2069 2.2069 2.2308 2.2308 2.2715 2.2715 2.3161 2.3161 2.8154 2.8154 2.8780 2.8780 4.1559 4.1559 5.9670 5.9670 6.2122 6.2122 7.2695 7.2695 7.8383 7.8383 8.0101 8.0101 8.3452 8.3452 9.5288 9.5288 10.2625 10.2625 10.2959 10.2959 10.9024 10.9024 12.0351 12.0351 12.1363 12.1363 k = 0.0196 0.0196-0.0000 ( 7759 PWs) bands (ev): -19.8802 -19.8802 -19.7045 -19.7045 -15.9008 -15.9008 -15.8873 -15.8873 -6.4041 -6.4041 -6.2977 -6.2977 -4.5218 -4.5218 -4.4238 -4.4238 -4.3237 -4.3237 -4.2279 -4.2279 -2.1611 -2.1611 -1.0519 -1.0519 0.6745 0.6745 0.6983 0.6983 0.7348 0.7348 0.8068 0.8068 1.0272 1.0272 1.0926 1.0926 1.1149 1.1149 1.1836 1.1836 1.2501 1.2501 1.3652 1.3652 2.2052 2.2052 2.2299 2.2299 2.2690 2.2690 2.3150 2.3150 2.8173 2.8173 2.8795 2.8795 4.1511 4.1511 6.0038 6.0038 6.2475 6.2475 7.2700 7.2700 7.7705 7.7705 8.0359 8.0359 8.3822 8.3822 9.5029 9.5029 10.2229 10.2229 10.2549 10.2549 10.9093 10.9093 12.0345 12.0345 12.1360 12.1360 k = 0.0098 0.0098-0.0000 ( 7759 PWs) bands (ev): -19.8807 -19.8807 -19.7045 -19.7045 -15.9004 -15.9004 -15.8868 -15.8868 -6.4033 -6.4033 -6.2980 -6.2980 -4.5210 -4.5210 -4.4211 -4.4211 -4.3262 -4.3262 -4.2278 -4.2278 -2.1639 -2.1639 -1.0527 -1.0527 0.6743 0.6743 0.6979 0.6979 0.7347 0.7347 0.8065 0.8065 1.0279 1.0279 1.0914 1.0914 1.1143 1.1143 1.1838 1.1838 1.2501 1.2501 1.3661 1.3661 2.2041 2.2041 2.2294 2.2294 2.2674 2.2674 2.3143 2.3143 2.8183 2.8183 2.8806 2.8806 4.1482 4.1482 6.0257 6.0257 6.2714 6.2714 7.2701 7.2701 7.7275 7.7275 8.0519 8.0519 8.4054 8.4054 9.4872 9.4872 10.1979 10.1979 10.2298 10.2298 10.9136 10.9136 12.0337 12.0337 12.1363 12.1363 k = 0.0000 0.0000 0.0000 ( 7757 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4031 -6.4031 -6.2982 -6.2982 -4.5208 -4.5208 -4.4201 -4.4201 -4.3271 -4.3271 -4.2278 -4.2278 -2.1648 -2.1648 -1.0529 -1.0529 0.6742 0.6742 0.6978 0.6978 0.7346 0.7346 0.8064 0.8064 1.0281 1.0281 1.0910 1.0910 1.1142 1.1142 1.1839 1.1839 1.2501 1.2501 1.3664 1.3664 2.2038 2.2038 2.2292 2.2292 2.2669 2.2669 2.3141 2.3141 2.8186 2.8186 2.8809 2.8809 4.1472 4.1472 6.0329 6.0329 6.2799 6.2799 7.2702 7.2702 7.7127 7.7127 8.0573 8.0573 8.4134 8.4134 9.4820 9.4820 10.1894 10.1894 10.2214 10.2214 10.9150 10.9150 12.0333 12.0333 12.1365 12.1365 k = 0.0000 0.0000 0.0000 ( 7757 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4031 -6.4031 -6.2982 -6.2982 -4.5208 -4.5208 -4.4201 -4.4201 -4.3271 -4.3271 -4.2278 -4.2278 -2.1648 -2.1648 -1.0529 -1.0529 0.6742 0.6742 0.6978 0.6978 0.7346 0.7346 0.8064 0.8064 1.0281 1.0281 1.0910 1.0910 1.1142 1.1142 1.1839 1.1839 1.2501 1.2501 1.3664 1.3664 2.2038 2.2038 2.2292 2.2292 2.2669 2.2669 2.3141 2.3141 2.8186 2.8186 2.8809 2.8809 4.1472 4.1472 6.0329 6.0329 6.2799 6.2799 7.2702 7.2702 7.7127 7.7127 8.0573 8.0573 8.4134 8.4134 9.4820 9.4820 10.1894 10.1894 10.2214 10.2214 10.9150 10.9150 12.0333 12.0333 12.1365 12.1365 k = 0.0000 0.0000 0.0133 ( 7757 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4031 -6.4031 -6.2982 -6.2982 -4.5208 -4.5208 -4.4200 -4.4200 -4.3273 -4.3273 -4.2278 -4.2278 -2.1648 -2.1648 -1.0529 -1.0529 0.6742 0.6742 0.6978 0.6978 0.7346 0.7346 0.8064 0.8064 1.0283 1.0283 1.0910 1.0910 1.1142 1.1142 1.1839 1.1839 1.2501 1.2501 1.3664 1.3664 2.2038 2.2038 2.2293 2.2293 2.2653 2.2653 2.3141 2.3141 2.8186 2.8186 2.8809 2.8809 4.1497 4.1497 6.0330 6.0330 6.2800 6.2800 7.2678 7.2678 7.7131 7.7131 8.0567 8.0567 8.4132 8.4132 9.4817 9.4817 10.1816 10.1816 10.2281 10.2281 10.9253 10.9253 12.0213 12.0213 12.1366 12.1366 k = 0.0000 0.0000 0.0267 ( 7753 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4030 -6.4030 -6.2983 -6.2983 -4.5208 -4.5208 -4.4194 -4.4194 -4.3279 -4.3279 -4.2278 -4.2278 -2.1646 -2.1646 -1.0527 -1.0527 0.6742 0.6742 0.6977 0.6977 0.7345 0.7345 0.8066 0.8066 1.0287 1.0287 1.0910 1.0910 1.1142 1.1142 1.1838 1.1838 1.2501 1.2501 1.3665 1.3665 2.2038 2.2038 2.2293 2.2293 2.2607 2.2607 2.3142 2.3142 2.8184 2.8184 2.8808 2.8808 4.1574 4.1574 6.0333 6.0333 6.2801 6.2801 7.2608 7.2608 7.7144 7.7144 8.0549 8.0549 8.4129 8.4129 9.4812 9.4812 10.1595 10.1595 10.2480 10.2480 10.9548 10.9548 11.9869 11.9869 12.1368 12.1368 k = 0.0000 0.0000 0.0400 ( 7745 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4029 -6.4029 -6.2985 -6.2985 -4.5208 -4.5208 -4.4185 -4.4185 -4.3288 -4.3288 -4.2278 -4.2278 -2.1643 -2.1643 -1.0525 -1.0525 0.6742 0.6742 0.6977 0.6977 0.7343 0.7343 0.8068 0.8068 1.0295 1.0295 1.0909 1.0909 1.1142 1.1142 1.1839 1.1839 1.2501 1.2501 1.3667 1.3667 2.2038 2.2038 2.2294 2.2294 2.2531 2.2531 2.3144 2.3144 2.8182 2.8182 2.8806 2.8806 4.1698 4.1698 6.0336 6.0336 6.2803 6.2803 7.2493 7.2493 7.7165 7.7165 8.0521 8.0521 8.4123 8.4123 9.4809 9.4809 10.1264 10.1264 10.2800 10.2800 11.0002 11.0002 11.9345 11.9345 12.1373 12.1373 k = 0.0000 0.0000 0.0534 ( 7749 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4027 -6.4027 -6.2987 -6.2987 -4.5208 -4.5208 -4.4173 -4.4173 -4.3301 -4.3301 -4.2278 -4.2278 -2.1639 -2.1639 -1.0522 -1.0522 0.6743 0.6743 0.6976 0.6976 0.7341 0.7341 0.8071 0.8071 1.0306 1.0306 1.0907 1.0907 1.1142 1.1142 1.1838 1.1838 1.2502 1.2502 1.3669 1.3669 2.2039 2.2039 2.2294 2.2294 2.2432 2.2432 2.3147 2.3147 2.8179 2.8179 2.8804 2.8804 4.1865 4.1865 6.0341 6.0341 6.2806 6.2806 7.2338 7.2338 7.7193 7.7193 8.0483 8.0483 8.4115 8.4115 9.4817 9.4817 10.0860 10.0860 10.3226 10.3226 11.0576 11.0576 11.8689 11.8689 12.1379 12.1379 k = 0.0000 0.0000 0.0667 ( 7749 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4025 -6.4025 -6.2989 -6.2989 -4.5208 -4.5208 -4.4157 -4.4157 -4.3317 -4.3317 -4.2278 -4.2278 -2.1634 -2.1634 -1.0518 -1.0518 0.6743 0.6743 0.6976 0.6976 0.7338 0.7338 0.8075 0.8075 1.0320 1.0320 1.0906 1.0906 1.1142 1.1142 1.1837 1.1837 1.2501 1.2501 1.3672 1.3672 2.2039 2.2039 2.2276 2.2276 2.2329 2.2329 2.3151 2.3151 2.8176 2.8176 2.8801 2.8801 4.2070 4.2070 6.0348 6.0348 6.2810 6.2810 7.2146 7.2146 7.7228 7.7228 8.0439 8.0439 8.4105 8.4105 9.4841 9.4841 10.0415 10.0415 10.3740 10.3740 11.1237 11.1237 11.7950 11.7950 12.1387 12.1387 k = 0.0000 0.0000 0.0801 ( 7765 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4023 -6.4023 -6.2992 -6.2992 -4.5208 -4.5208 -4.4139 -4.4139 -4.3336 -4.3336 -4.2278 -4.2278 -2.1629 -2.1629 -1.0513 -1.0513 0.6743 0.6743 0.6974 0.6974 0.7334 0.7334 0.8078 0.8078 1.0335 1.0335 1.0903 1.0903 1.1142 1.1142 1.1836 1.1836 1.2501 1.2501 1.3674 1.3674 2.2040 2.2040 2.2158 2.2158 2.2310 2.2310 2.3154 2.3154 2.8171 2.8171 2.8798 2.8798 4.2305 4.2305 6.0355 6.0355 6.2814 6.2814 7.1923 7.1923 7.7268 7.7268 8.0390 8.0390 8.4094 8.4094 9.4889 9.4889 9.9955 9.9955 10.4324 10.4324 11.1958 11.1958 11.7166 11.7166 12.1396 12.1396 k = 0.0000 0.0000 0.0934 ( 7774 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4021 -6.4021 -6.2996 -6.2996 -4.5208 -4.5208 -4.4117 -4.4117 -4.3358 -4.3358 -4.2278 -4.2278 -2.1623 -2.1623 -1.0508 -1.0508 0.6743 0.6743 0.6973 0.6973 0.7331 0.7331 0.8082 0.8082 1.0353 1.0353 1.0901 1.0901 1.1142 1.1142 1.1837 1.1837 1.2501 1.2501 1.3677 1.3677 2.2008 2.2008 2.2041 2.2041 2.2311 2.2311 2.3158 2.3158 2.8167 2.8167 2.8795 2.8795 4.2563 4.2563 6.0363 6.0363 6.2818 6.2818 7.1677 7.1677 7.7313 7.7313 8.0338 8.0338 8.4082 8.4082 9.4962 9.4962 9.9498 9.9498 10.4956 10.4956 11.2717 11.2717 11.6369 11.6369 12.1407 12.1407 k = 0.0000 0.0000 0.1068 ( 7778 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4018 -6.4018 -6.2999 -6.2999 -4.5207 -4.5207 -4.4093 -4.4093 -4.3383 -4.3383 -4.2278 -4.2278 -2.1617 -2.1617 -1.0503 -1.0503 0.6742 0.6742 0.6973 0.6973 0.7327 0.7327 0.8087 0.8087 1.0372 1.0372 1.0897 1.0897 1.1141 1.1141 1.1837 1.1837 1.2501 1.2501 1.3681 1.3681 2.1851 2.1851 2.2042 2.2042 2.2314 2.2314 2.3163 2.3163 2.8162 2.8162 2.8791 2.8791 4.2834 4.2834 6.0372 6.0372 6.2823 6.2823 7.1415 7.1415 7.7361 7.7361 8.0287 8.0287 8.4069 8.4069 9.5062 9.5062 9.9056 9.9056 10.5615 10.5615 11.3497 11.3497 11.5587 11.5587 12.1419 12.1419 k = 0.0000 0.0000 0.1201 ( 7770 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4015 -6.4015 -6.3003 -6.3003 -4.5207 -4.5207 -4.4066 -4.4066 -4.3410 -4.3410 -4.2278 -4.2278 -2.1610 -2.1610 -1.0497 -1.0497 0.6742 0.6742 0.6972 0.6972 0.7323 0.7323 0.8092 0.8092 1.0393 1.0393 1.0894 1.0894 1.1141 1.1141 1.1837 1.1837 1.2501 1.2501 1.3685 1.3685 2.1693 2.1693 2.2043 2.2043 2.2317 2.2317 2.3168 2.3168 2.8158 2.8158 2.8787 2.8787 4.3110 4.3110 6.0381 6.0381 6.2828 6.2828 7.1146 7.1146 7.7410 7.7410 8.0236 8.0236 8.4056 8.4056 9.5185 9.5185 9.8640 9.8640 10.6277 10.6277 11.4282 11.4282 11.4848 11.4848 12.1432 12.1432 k = 0.0000 0.0000 0.1335 ( 7762 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4013 -6.4013 -6.3006 -6.3006 -4.5207 -4.5207 -4.4038 -4.4038 -4.3439 -4.3439 -4.2278 -4.2278 -2.1604 -2.1604 -1.0492 -1.0492 0.6743 0.6743 0.6972 0.6972 0.7320 0.7320 0.8097 0.8097 1.0414 1.0414 1.0891 1.0891 1.1142 1.1142 1.1835 1.1835 1.2501 1.2501 1.3690 1.3690 2.1540 2.1540 2.2044 2.2044 2.2320 2.2320 2.3172 2.3172 2.8153 2.8153 2.8784 2.8784 4.3382 4.3382 6.0390 6.0390 6.2833 6.2833 7.0880 7.0880 7.7459 7.7459 8.0189 8.0189 8.4043 8.4043 9.5327 9.5327 9.8258 9.8258 10.6913 10.6913 11.4177 11.4177 11.5057 11.5057 12.1447 12.1447 k = 0.0000 0.0000 0.1468 ( 7774 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4010 -6.4010 -6.3010 -6.3010 -4.5207 -4.5207 -4.4008 -4.4008 -4.3470 -4.3470 -4.2278 -4.2278 -2.1598 -2.1598 -1.0487 -1.0487 0.6743 0.6743 0.6970 0.6970 0.7317 0.7317 0.8101 0.8101 1.0434 1.0434 1.0888 1.0888 1.1142 1.1142 1.1833 1.1833 1.2501 1.2501 1.3692 1.3692 2.1396 2.1396 2.2044 2.2044 2.2324 2.2324 2.3176 2.3176 2.8149 2.8149 2.8780 2.8780 4.3640 4.3640 6.0399 6.0399 6.2837 6.2837 7.0624 7.0624 7.7506 7.7506 8.0146 8.0146 8.4031 8.4031 9.5481 9.5481 9.7915 9.7915 10.7490 10.7490 11.3605 11.3605 11.5803 11.5803 12.1463 12.1463 k = 0.0000 0.0000 0.1602 ( 7774 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4008 -6.4008 -6.3013 -6.3013 -4.5207 -4.5207 -4.3978 -4.3978 -4.3501 -4.3501 -4.2278 -4.2278 -2.1592 -2.1592 -1.0482 -1.0482 0.6743 0.6743 0.6969 0.6969 0.7315 0.7315 0.8105 0.8105 1.0453 1.0453 1.0884 1.0884 1.1142 1.1142 1.1832 1.1832 1.2501 1.2501 1.3696 1.3696 2.1266 2.1266 2.2045 2.2045 2.2327 2.2327 2.3180 2.3180 2.8146 2.8146 2.8777 2.8777 4.3876 4.3876 6.0408 6.0408 6.2841 6.2841 7.0389 7.0389 7.7549 7.7549 8.0108 8.0108 8.4019 8.4019 9.5639 9.5639 9.7617 9.7617 10.7971 10.7971 11.3163 11.3163 11.6502 11.6502 12.1480 12.1480 k = 0.0000 0.0000 0.1735 ( 7794 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4006 -6.4006 -6.3015 -6.3015 -4.5207 -4.5207 -4.3948 -4.3948 -4.3531 -4.3531 -4.2279 -4.2279 -2.1588 -2.1588 -1.0478 -1.0478 0.6742 0.6742 0.6967 0.6967 0.7313 0.7313 0.8107 0.8107 1.0470 1.0470 1.0881 1.0881 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3699 1.3699 2.1154 2.1154 2.2045 2.2045 2.2329 2.2329 2.3183 2.3183 2.8142 2.8142 2.8774 2.8774 4.4082 4.4082 6.0415 6.0415 6.2845 6.2845 7.0183 7.0183 7.7587 7.7587 8.0077 8.0077 8.4010 8.4010 9.5790 9.5790 9.7368 9.7368 10.8322 10.8322 11.2873 11.2873 11.7131 11.7131 12.1499 12.1499 k = 0.0000 0.0000 0.1869 ( 7802 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4004 -6.4004 -6.3018 -6.3018 -4.5207 -4.5207 -4.3920 -4.3920 -4.3560 -4.3560 -4.2279 -4.2279 -2.1584 -2.1584 -1.0475 -1.0475 0.6742 0.6742 0.6967 0.6967 0.7309 0.7309 0.8109 0.8109 1.0484 1.0484 1.0877 1.0877 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3702 1.3702 2.1063 2.1063 2.2046 2.2046 2.2332 2.2332 2.3186 2.3186 2.8140 2.8140 2.8772 2.8772 4.4250 4.4250 6.0421 6.0421 6.2848 6.2848 7.0014 7.0014 7.7618 7.7618 8.0051 8.0051 8.4002 8.4002 9.5924 9.5924 9.7171 9.7171 10.8533 10.8533 11.2734 11.2734 11.7663 11.7663 12.1518 12.1518 k = 0.0000 0.0000 0.2002 ( 7802 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4003 -6.4003 -6.3019 -6.3019 -4.5207 -4.5207 -4.3896 -4.3896 -4.3584 -4.3584 -4.2279 -4.2279 -2.1581 -2.1581 -1.0473 -1.0473 0.6742 0.6742 0.6966 0.6966 0.7307 0.7307 0.8111 0.8111 1.0495 1.0495 1.0875 1.0875 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3704 1.3704 2.0997 2.0997 2.2046 2.2046 2.2333 2.2333 2.3188 2.3188 2.8138 2.8138 2.8770 2.8770 4.4376 4.4376 6.0425 6.0425 6.2850 6.2850 6.9889 6.9889 7.7642 7.7642 8.0033 8.0033 8.3996 8.3996 9.6029 9.6029 9.7028 9.7028 10.8628 10.8628 11.2705 11.2705 11.8070 11.8070 12.1536 12.1536 k = 0.0000 0.0000 0.2136 ( 7786 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4002 -6.4002 -6.3020 -6.3020 -4.5207 -4.5207 -4.3879 -4.3879 -4.3601 -4.3601 -4.2279 -4.2279 -2.1579 -2.1579 -1.0471 -1.0471 0.6742 0.6742 0.6966 0.6966 0.7307 0.7307 0.8113 0.8113 1.0503 1.0503 1.0873 1.0873 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3707 1.3707 2.0956 2.0956 2.2047 2.2047 2.2334 2.2334 2.3190 2.3190 2.8137 2.8137 2.8769 2.8769 4.4452 4.4452 6.0428 6.0428 6.2851 6.2851 6.9811 6.9811 7.7656 7.7656 8.0022 8.0022 8.3992 8.3992 9.6096 9.6096 9.6942 9.6942 10.8656 10.8656 11.2724 11.2724 11.8327 11.8327 12.1549 12.1549 k = 0.0000 0.0000 0.2269 ( 7794 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4002 -6.4002 -6.3021 -6.3021 -4.5207 -4.5207 -4.3872 -4.3872 -4.3607 -4.3607 -4.2279 -4.2279 -2.1579 -2.1579 -1.0470 -1.0470 0.6742 0.6742 0.6966 0.6966 0.7306 0.7306 0.8114 0.8114 1.0505 1.0505 1.0872 1.0872 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3707 1.3707 2.0942 2.0942 2.2047 2.2047 2.2335 2.2335 2.3190 2.3190 2.8136 2.8136 2.8769 2.8769 4.4478 4.4478 6.0429 6.0429 6.2852 6.2852 6.9785 6.9785 7.7661 7.7661 8.0018 8.0018 8.3991 8.3991 9.6119 9.6119 9.6913 9.6913 10.8661 10.8661 11.2737 11.2737 11.8415 11.8415 12.1554 12.1554 k = 0.0000 0.0000 0.2269 ( 7794 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4002 -6.4002 -6.3021 -6.3021 -4.5207 -4.5207 -4.3872 -4.3872 -4.3607 -4.3607 -4.2279 -4.2279 -2.1579 -2.1579 -1.0470 -1.0470 0.6742 0.6742 0.6966 0.6966 0.7306 0.7306 0.8114 0.8114 1.0505 1.0505 1.0872 1.0872 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3707 1.3707 2.0942 2.0942 2.2047 2.2047 2.2335 2.2335 2.3190 2.3190 2.8136 2.8136 2.8769 2.8769 4.4478 4.4478 6.0429 6.0429 6.2852 6.2852 6.9785 6.9785 7.7661 7.7661 8.0018 8.0018 8.3991 8.3991 9.6119 9.6119 9.6913 9.6913 10.8661 10.8661 11.2737 11.2737 11.8415 11.8415 12.1554 12.1554 k = 0.0000 0.0139 0.2269 ( 7790 PWs) bands (ev): -19.8807 -19.8807 -19.7046 -19.7046 -15.9004 -15.9004 -15.8869 -15.8869 -6.4005 -6.4005 -6.3019 -6.3019 -4.5211 -4.5211 -4.3898 -4.3898 -4.3581 -4.3581 -4.2279 -4.2279 -2.1569 -2.1569 -1.0469 -1.0469 0.6742 0.6742 0.6968 0.6968 0.7307 0.7307 0.8114 0.8114 1.0496 1.0496 1.0881 1.0881 1.1145 1.1145 1.1829 1.1829 1.2501 1.2501 1.3704 1.3704 2.0950 2.0950 2.2050 2.2050 2.2337 2.2337 2.3192 2.3192 2.8135 2.8135 2.8768 2.8768 4.4474 4.4474 6.0347 6.0347 6.2760 6.2760 6.9820 6.9820 7.7806 7.7806 7.9970 7.9970 8.3925 8.3925 9.6173 9.6173 9.7007 9.7007 10.8678 10.8678 11.2759 11.2759 11.8329 11.8329 12.1390 12.1390 k = 0.0000 0.0278 0.2269 ( 7786 PWs) bands (ev): -19.8802 -19.8802 -19.7045 -19.7045 -15.9008 -15.9008 -15.8873 -15.8873 -6.4013 -6.4013 -6.3015 -6.3015 -4.5223 -4.5223 -4.3957 -4.3957 -4.3520 -4.3520 -4.2280 -4.2280 -2.1542 -2.1542 -1.0463 -1.0463 0.6745 0.6745 0.6972 0.6972 0.7310 0.7310 0.8116 0.8116 1.0474 1.0474 1.0902 1.0902 1.1156 1.1156 1.1827 1.1827 1.2503 1.2503 1.3695 1.3695 2.0974 2.0974 2.2061 2.2061 2.2344 2.2344 2.3197 2.3197 2.8132 2.8132 2.8764 2.8764 4.4460 4.4460 6.0068 6.0068 6.2546 6.2546 6.9913 6.9913 7.8223 7.8223 7.9823 7.9823 8.3740 8.3740 9.6338 9.6338 9.7276 9.7276 10.8729 10.8729 11.2826 11.2826 11.8062 11.8062 12.0981 12.0981 k = 0.0000 0.0417 0.2269 ( 7800 PWs) bands (ev): -19.8794 -19.8794 -19.7045 -19.7045 -15.9014 -15.9014 -15.8881 -15.8881 -6.4027 -6.4027 -6.3008 -6.3008 -4.5242 -4.5242 -4.4026 -4.4026 -4.3448 -4.3448 -4.2281 -4.2281 -2.1495 -2.1495 -1.0453 -1.0453 0.6748 0.6748 0.6979 0.6979 0.7313 0.7313 0.8119 0.8119 1.0442 1.0442 1.0927 1.0927 1.1175 1.1175 1.1824 1.1824 1.2504 1.2504 1.3680 1.3680 2.1015 2.1015 2.2078 2.2078 2.2355 2.2355 2.3206 2.3206 2.8125 2.8125 2.8759 2.8759 4.4437 4.4437 5.9527 5.9527 6.2340 6.2340 7.0042 7.0042 7.8862 7.8862 7.9568 7.9568 8.3474 8.3474 9.6615 9.6615 9.7690 9.7690 10.8813 10.8813 11.2937 11.2937 11.7601 11.7601 12.0453 12.0453 k = 0.0000 0.0556 0.2269 ( 7796 PWs) bands (ev): -19.8782 -19.8782 -19.7045 -19.7045 -15.9023 -15.9023 -15.8891 -15.8891 -6.4045 -6.4045 -6.2999 -6.2999 -4.5269 -4.5269 -4.4095 -4.4095 -4.3374 -4.3374 -4.2283 -4.2283 -2.1430 -2.1430 -1.0439 -1.0439 0.6753 0.6753 0.6989 0.6989 0.7319 0.7319 0.8125 0.8125 1.0408 1.0408 1.0952 1.0952 1.1204 1.1204 1.1820 1.1820 1.2507 1.2507 1.3660 1.3660 2.1071 2.1071 2.2103 2.2103 2.2371 2.2371 2.3219 2.3219 2.8115 2.8115 2.8753 2.8753 4.4404 4.4404 5.8714 5.8714 6.2229 6.2229 7.0190 7.0190 7.9189 7.9189 7.9663 7.9663 8.3174 8.3174 9.7009 9.7009 9.8213 9.8213 10.8931 10.8931 11.3089 11.3089 11.6950 11.6950 11.9879 11.9879 k = 0.0000 0.0694 0.2269 ( 7796 PWs) bands (ev): -19.8767 -19.8767 -19.7044 -19.7044 -15.9034 -15.9034 -15.8905 -15.8905 -6.4067 -6.4067 -6.2988 -6.2988 -4.5304 -4.5304 -4.4161 -4.4161 -4.3301 -4.3301 -4.2287 -4.2287 -2.1347 -2.1347 -1.0422 -1.0422 0.6759 0.6759 0.7003 0.7003 0.7325 0.7325 0.8131 0.8131 1.0373 1.0373 1.0971 1.0971 1.1244 1.1244 1.1816 1.1816 1.2512 1.2512 1.3635 1.3635 2.1143 2.1143 2.2134 2.2134 2.2391 2.2391 2.3235 2.3235 2.8099 2.8099 2.8747 2.8747 4.4360 4.4360 5.7689 5.7689 6.2215 6.2215 7.0345 7.0345 7.8697 7.8697 8.0554 8.0554 8.2881 8.2881 9.7523 9.7523 9.8804 9.8804 10.9080 10.9080 11.3277 11.3277 11.6149 11.6149 11.9292 11.9292 k = 0.0000 0.0833 0.2269 ( 7800 PWs) bands (ev): -19.8749 -19.8749 -19.7043 -19.7043 -15.9048 -15.9048 -15.8921 -15.8921 -6.4092 -6.4092 -6.2978 -6.2978 -4.5346 -4.5346 -4.4221 -4.4221 -4.3232 -4.3232 -4.2293 -4.2293 -2.1245 -2.1245 -1.0402 -1.0402 0.6767 0.6767 0.7019 0.7019 0.7333 0.7333 0.8140 0.8140 1.0340 1.0340 1.0984 1.0984 1.1290 1.1290 1.1810 1.1810 1.2518 1.2518 1.3606 1.3606 2.1230 2.1230 2.2172 2.2172 2.2416 2.2416 2.3255 2.3255 2.8076 2.8076 2.8742 2.8742 4.4304 4.4304 5.6524 5.6524 6.2273 6.2273 7.0502 7.0502 7.8096 7.8096 8.1483 8.1483 8.2621 8.2621 9.8158 9.8158 9.9429 9.9429 10.9260 10.9260 11.3482 11.3482 11.5269 11.5269 11.8705 11.8705 k = 0.0000 0.0972 0.2269 ( 7788 PWs) bands (ev): -19.8728 -19.8728 -19.7043 -19.7043 -15.9064 -15.9064 -15.8939 -15.8939 -6.4119 -6.4119 -6.2967 -6.2967 -4.5394 -4.5394 -4.4274 -4.4274 -4.3168 -4.3168 -4.2301 -4.2301 -2.1124 -2.1124 -1.0378 -1.0378 0.6777 0.6777 0.7038 0.7038 0.7343 0.7343 0.8150 0.8150 1.0310 1.0310 1.0992 1.0992 1.1341 1.1341 1.1803 1.1803 1.2527 1.2527 1.3573 1.3573 2.1332 2.1332 2.2216 2.2216 2.2445 2.2445 2.3278 2.3278 2.8046 2.8046 2.8739 2.8739 4.4235 4.4235 5.5273 5.5273 6.2382 6.2382 7.0657 7.0657 7.7414 7.7414 8.2264 8.2264 8.2544 8.2544 9.8910 9.8910 10.0059 10.0059 10.9470 10.9470 11.3575 11.3575 11.4491 11.4491 11.8125 11.8125 k = 0.0000 0.1111 0.2269 ( 7792 PWs) bands (ev): -19.8704 -19.8704 -19.7042 -19.7042 -15.9082 -15.9082 -15.8961 -15.8961 -6.4148 -6.4148 -6.2957 -6.2957 -4.5447 -4.5447 -4.4319 -4.4319 -4.3111 -4.3111 -4.2312 -4.2312 -2.0984 -2.0984 -1.0352 -1.0352 0.6788 0.6788 0.7058 0.7058 0.7353 0.7353 0.8161 0.8161 1.0283 1.0283 1.0996 1.0996 1.1392 1.1392 1.1795 1.1795 1.2539 1.2539 1.3536 1.3536 2.1447 2.1447 2.2267 2.2267 2.2479 2.2479 2.3305 2.3305 2.8007 2.8007 2.8738 2.8738 4.4152 4.4152 5.3975 5.3975 6.2532 6.2532 7.0804 7.0804 7.6682 7.6682 8.2146 8.2146 8.3364 8.3364 9.9763 9.9763 10.0675 10.0675 10.9707 10.9707 11.3038 11.3038 11.4375 11.4375 11.7557 11.7557 k = 0.0000 0.1250 0.2269 ( 7788 PWs) bands (ev): -19.8677 -19.8677 -19.7042 -19.7042 -15.9102 -15.9102 -15.8984 -15.8984 -6.4177 -6.4177 -6.2948 -6.2948 -4.5505 -4.5505 -4.4357 -4.4357 -4.3059 -4.3059 -4.2327 -4.2327 -2.0826 -2.0826 -1.0323 -1.0323 0.6802 0.6802 0.7081 0.7081 0.7364 0.7364 0.8174 0.8174 1.0261 1.0261 1.0999 1.0999 1.1440 1.1440 1.1786 1.1786 1.2556 1.2556 1.3497 1.3497 2.1577 2.1577 2.2323 2.2323 2.2518 2.2518 2.3335 2.3335 2.7958 2.7958 2.8738 2.8738 4.4053 4.4053 5.2655 5.2655 6.2713 6.2713 7.0932 7.0932 7.5937 7.5937 8.1966 8.1966 8.4219 8.4219 10.0672 10.0672 10.1278 10.1278 10.9970 10.9970 11.2181 11.2181 11.4654 11.4654 11.7010 11.7010 k = 0.0000 0.1389 0.2269 ( 7786 PWs) bands (ev): -19.8647 -19.8647 -19.7042 -19.7042 -15.9123 -15.9123 -15.9010 -15.9010 -6.4206 -6.4206 -6.2941 -6.2941 -4.5565 -4.5565 -4.4388 -4.4388 -4.3015 -4.3015 -4.2346 -4.2346 -2.0649 -2.0649 -1.0293 -1.0293 0.6817 0.6817 0.7107 0.7107 0.7376 0.7376 0.8189 0.8189 1.0244 1.0244 1.0999 1.0999 1.1482 1.1482 1.1777 1.1777 1.2576 1.2576 1.3458 1.3458 2.1718 2.1718 2.2385 2.2385 2.2561 2.2561 2.3368 2.3368 2.7900 2.7900 2.8739 2.8739 4.3936 4.3936 5.1330 5.1330 6.2923 6.2923 7.1022 7.1022 7.5218 7.5218 8.1794 8.1794 8.5021 8.5021 10.1492 10.1492 10.1952 10.1952 11.0255 11.0255 11.1374 11.1374 11.5001 11.5001 11.6499 11.6499 k = 0.0000 0.1528 0.2269 ( 7788 PWs) bands (ev): -19.8615 -19.8615 -19.7042 -19.7042 -15.9147 -15.9147 -15.9038 -15.9038 -6.4234 -6.4234 -6.2937 -6.2937 -4.5626 -4.5626 -4.4412 -4.4412 -4.2978 -4.2978 -4.2370 -4.2370 -2.0454 -2.0454 -1.0261 -1.0261 0.6835 0.6835 0.7134 0.7134 0.7389 0.7389 0.8204 0.8204 1.0231 1.0231 1.0999 1.0999 1.1517 1.1517 1.1766 1.1766 1.2600 1.2600 1.3420 1.3420 2.1870 2.1870 2.2451 2.2451 2.2610 2.2610 2.3404 2.3404 2.7833 2.7833 2.8740 2.8740 4.3799 4.3799 5.0016 5.0016 6.3157 6.3157 7.1044 7.1044 7.4572 7.4572 8.1628 8.1628 8.5762 8.5762 10.2045 10.2045 10.2776 10.2776 11.0558 11.0558 11.0748 11.0748 11.5299 11.5299 11.6097 11.6097 k = 0.0000 0.1667 0.2269 ( 7788 PWs) bands (ev): -19.8580 -19.8580 -19.7043 -19.7043 -15.9172 -15.9172 -15.9067 -15.9067 -6.4261 -6.4261 -6.2935 -6.2935 -4.5686 -4.5686 -4.4429 -4.4429 -4.2948 -4.2948 -4.2401 -4.2401 -2.0241 -2.0241 -1.0229 -1.0229 0.6856 0.6856 0.7163 0.7163 0.7403 0.7403 0.8221 0.8221 1.0224 1.0224 1.0998 1.0998 1.1544 1.1544 1.1754 1.1754 1.2624 1.2624 1.3386 1.3386 2.2031 2.2031 2.2522 2.2522 2.2665 2.2665 2.3444 2.3444 2.7757 2.7757 2.8739 2.8739 4.3640 4.3640 4.8724 4.8724 6.3414 6.3414 7.0951 7.0951 7.4054 7.4054 8.1463 8.1463 8.6446 8.6446 10.2441 10.2441 10.3485 10.3485 11.0453 11.0453 11.0876 11.0876 11.5213 11.5213 11.6126 11.6126 k = 0.0000 0.1806 0.2269 ( 7790 PWs) bands (ev): -19.8542 -19.8542 -19.7044 -19.7044 -15.9198 -15.9198 -15.9098 -15.9098 -6.4286 -6.4286 -6.2937 -6.2937 -4.5745 -4.5745 -4.4441 -4.4441 -4.2925 -4.2925 -4.2438 -4.2438 -2.0010 -2.0010 -1.0198 -1.0198 0.6879 0.6879 0.7194 0.7194 0.7418 0.7418 0.8240 0.8240 1.0222 1.0222 1.0996 1.0996 1.1561 1.1561 1.1742 1.1742 1.2644 1.2644 1.3360 1.3360 2.2198 2.2198 2.2597 2.2597 2.2728 2.2728 2.3486 2.3486 2.7674 2.7674 2.8733 2.8733 4.3454 4.3454 4.7466 4.7466 6.3691 6.3691 7.0706 7.0706 7.3711 7.3711 8.1296 8.1296 8.7075 8.7075 10.2735 10.2735 10.3853 10.3853 11.0655 11.0655 11.1203 11.1203 11.4824 11.4824 11.6494 11.6494 k = 0.0000 0.1944 0.2269 ( 7794 PWs) bands (ev): -19.8503 -19.8503 -19.7046 -19.7046 -15.9226 -15.9226 -15.9130 -15.9130 -6.4308 -6.4308 -6.2942 -6.2942 -4.5799 -4.5799 -4.4448 -4.4448 -4.2909 -4.2909 -4.2481 -4.2481 -1.9762 -1.9762 -1.0167 -1.0167 0.6904 0.6904 0.7227 0.7227 0.7433 0.7433 0.8260 0.8260 1.0224 1.0224 1.0994 1.0994 1.1568 1.1568 1.1729 1.1729 1.2655 1.2655 1.3347 1.3347 2.2366 2.2366 2.2675 2.2675 2.2803 2.2803 2.3530 2.3530 2.7583 2.7583 2.8721 2.8721 4.3238 4.3238 4.6252 4.6252 6.3985 6.3985 7.0316 7.0316 7.3544 7.3544 8.1126 8.1126 8.7658 8.7658 10.2920 10.2920 10.3836 10.3836 11.1378 11.1378 11.1541 11.1541 11.4410 11.4410 11.6920 11.6920 k = 0.0000 0.2083 0.2269 ( 7788 PWs) bands (ev): -19.8461 -19.8461 -19.7049 -19.7049 -15.9254 -15.9254 -15.9164 -15.9164 -6.4328 -6.4328 -6.2951 -6.2951 -4.5849 -4.5849 -4.4450 -4.4450 -4.2900 -4.2900 -4.2533 -4.2533 -1.9496 -1.9496 -1.0138 -1.0138 0.6932 0.6932 0.7261 0.7261 0.7449 0.7449 0.8281 0.8281 1.0233 1.0233 1.0993 1.0993 1.1567 1.1567 1.1715 1.1715 1.2654 1.2654 1.3351 1.3351 2.2527 2.2527 2.2757 2.2757 2.2897 2.2897 2.3578 2.3578 2.7485 2.7485 2.8700 2.8700 4.2981 4.2981 4.5099 4.5099 6.4294 6.4294 6.9835 6.9835 7.3500 7.3500 8.0950 8.0950 8.8200 8.8200 10.2925 10.2925 10.3629 10.3629 11.1860 11.1860 11.2476 11.2476 11.4052 11.4052 11.7338 11.7338 k = 0.0000 0.2222 0.2269 ( 7778 PWs) bands (ev): -19.8417 -19.8417 -19.7052 -19.7052 -15.9283 -15.9283 -15.9198 -15.9198 -6.4345 -6.4345 -6.2963 -6.2963 -4.5893 -4.5893 -4.4447 -4.4447 -4.2897 -4.2897 -4.2591 -4.2591 -1.9214 -1.9214 -1.0113 -1.0113 0.6963 0.6963 0.7296 0.7296 0.7467 0.7467 0.8303 0.8303 1.0246 1.0246 1.0991 1.0991 1.1558 1.1558 1.1701 1.1701 1.2637 1.2637 1.3373 1.3373 2.2668 2.2668 2.2841 2.2841 2.3019 2.3019 2.3627 2.3627 2.7382 2.7382 2.8668 2.8668 4.2657 4.2657 4.4040 4.4040 6.4614 6.4614 6.9325 6.9325 7.3522 7.3522 8.0766 8.0766 8.8708 8.8708 10.2627 10.2627 10.3511 10.3511 11.2188 11.2188 11.3265 11.3265 11.4241 11.4241 11.7715 11.7715 k = 0.0000 0.2361 0.2269 ( 7776 PWs) bands (ev): -19.8372 -19.8372 -19.7057 -19.7057 -15.9313 -15.9313 -15.9233 -15.9233 -6.4358 -6.4358 -6.2980 -6.2980 -4.5931 -4.5931 -4.4441 -4.4441 -4.2901 -4.2901 -4.2658 -4.2658 -1.8917 -1.8917 -1.0092 -1.0092 0.6996 0.6996 0.7331 0.7331 0.7485 0.7485 0.8326 0.8326 1.0264 1.0264 1.0990 1.0990 1.1542 1.1542 1.1686 1.1686 1.2604 1.2604 1.3409 1.3409 2.2783 2.2783 2.2929 2.2929 2.3175 2.3175 2.3678 2.3678 2.7274 2.7274 2.8621 2.8621 4.2184 4.2184 4.3162 4.3162 6.4939 6.4939 6.8830 6.8830 7.3570 7.3570 8.0574 8.0574 8.9187 8.9187 10.2143 10.2143 10.3470 10.3470 11.2508 11.2508 11.3069 11.3069 11.5526 11.5526 11.8019 11.8019 k = 0.0000 0.2500 0.2269 ( 7780 PWs) bands (ev): -19.8325 -19.8325 -19.7063 -19.7063 -15.9343 -15.9343 -15.9268 -15.9268 -6.4367 -6.4367 -6.3000 -6.3000 -4.5962 -4.5962 -4.4430 -4.4430 -4.2912 -4.2912 -4.2731 -4.2731 -1.8605 -1.8605 -1.0076 -1.0076 0.7032 0.7032 0.7368 0.7368 0.7505 0.7505 0.8349 0.8349 1.0287 1.0287 1.0990 1.0990 1.1521 1.1521 1.1671 1.1671 1.2558 1.2558 1.3456 1.3456 2.2878 2.2878 2.3018 2.3018 2.3357 2.3357 2.3730 2.3730 2.7162 2.7162 2.8557 2.8557 4.1468 4.1468 4.2566 4.2566 6.5261 6.5261 6.8383 6.8383 7.3616 7.3616 8.0370 8.0370 8.9641 8.9641 10.1630 10.1630 10.3414 10.3414 11.2753 11.2753 11.2818 11.2818 11.6891 11.6891 11.8225 11.8225 k = 0.0000 0.2639 0.2269 ( 7790 PWs) bands (ev): -19.8277 -19.8277 -19.7070 -19.7070 -15.9373 -15.9373 -15.9303 -15.9303 -6.4373 -6.4373 -6.3024 -6.3024 -4.5984 -4.5984 -4.4416 -4.4416 -4.2931 -4.2931 -4.2810 -4.2810 -1.8279 -1.8279 -1.0067 -1.0067 0.7070 0.7070 0.7404 0.7404 0.7526 0.7526 0.8373 0.8373 1.0314 1.0314 1.0990 1.0990 1.1495 1.1495 1.1655 1.1655 1.2502 1.2502 1.3507 1.3507 2.2962 2.2962 2.3108 2.3108 2.3553 2.3553 2.3784 2.3784 2.7046 2.7046 2.8474 2.8474 4.0634 4.0634 4.2134 4.2134 6.5564 6.5564 6.8014 6.8014 7.3643 7.3643 8.0155 8.0155 9.0075 9.0075 10.1153 10.1153 10.3317 10.3317 11.2448 11.2448 11.3113 11.3113 11.7894 11.7894 11.8373 11.8373 k = 0.0000 0.2778 0.2269 ( 7778 PWs) bands (ev): -19.8228 -19.8228 -19.7078 -19.7078 -15.9402 -15.9402 -15.9337 -15.9337 -6.4374 -6.4374 -6.3052 -6.3052 -4.5998 -4.5998 -4.4399 -4.4399 -4.2964 -4.2964 -4.2887 -4.2887 -1.7940 -1.7940 -1.0066 -1.0066 0.7110 0.7110 0.7440 0.7440 0.7549 0.7549 0.8397 0.8397 1.0347 1.0347 1.0991 1.0991 1.1466 1.1466 1.1640 1.1640 1.2439 1.2439 1.3560 1.3560 2.3041 2.3041 2.3197 2.3197 2.3753 2.3753 2.3842 2.3842 2.6927 2.6927 2.8370 2.8370 3.9814 3.9814 4.1742 4.1742 6.5815 6.5815 6.7761 6.7761 7.3640 7.3640 7.9926 7.9926 9.0492 9.0492 10.0742 10.0742 10.3175 10.3175 11.2168 11.2168 11.3392 11.3392 11.8033 11.8033 11.8648 11.8648 k = 0.0000 0.2917 0.2269 ( 7776 PWs) bands (ev): -19.8178 -19.8178 -19.7087 -19.7087 -15.9432 -15.9432 -15.9372 -15.9372 -6.4371 -6.4371 -6.3084 -6.3084 -4.6004 -4.6004 -4.4379 -4.4379 -4.3029 -4.3029 -4.2943 -4.2943 -1.7590 -1.7590 -1.0074 -1.0074 0.7152 0.7152 0.7474 0.7474 0.7575 0.7575 0.8421 0.8421 1.0385 1.0385 1.0992 1.0992 1.1435 1.1435 1.1626 1.1626 1.2372 1.2372 1.3607 1.3607 2.3119 2.3119 2.3285 2.3285 2.3886 2.3886 2.3969 2.3969 2.6806 2.6806 2.8244 2.8244 3.9052 3.9052 4.1351 4.1351 6.5972 6.5972 6.7673 6.7673 7.3600 7.3600 7.9681 7.9681 9.0894 9.0894 10.0417 10.0417 10.2989 10.2989 11.1917 11.1917 11.3649 11.3649 11.7793 11.7793 11.8650 11.8650 k = 0.0000 0.3056 0.2269 ( 7764 PWs) bands (ev): -19.8128 -19.8128 -19.7099 -19.7099 -15.9460 -15.9460 -15.9405 -15.9405 -6.4364 -6.4364 -6.3120 -6.3120 -4.6000 -4.6000 -4.4356 -4.4356 -4.3123 -4.3123 -4.2981 -4.2981 -1.7230 -1.7230 -1.0094 -1.0094 0.7196 0.7196 0.7507 0.7507 0.7604 0.7604 0.8444 0.8444 1.0427 1.0427 1.0994 1.0994 1.1403 1.1403 1.1613 1.1613 1.2302 1.2302 1.3647 1.3647 2.3197 2.3197 2.3372 2.3372 2.3944 2.3944 2.4169 2.4169 2.6685 2.6685 2.8096 2.8096 3.8365 3.8365 4.0951 4.0951 6.6011 6.6011 6.7772 6.7772 7.3518 7.3518 7.9420 7.9420 9.1285 9.1285 10.0186 10.0186 10.2762 10.2762 11.1699 11.1699 11.3872 11.3872 11.7401 11.7401 11.8460 11.8460 k = 0.0000 0.3194 0.2269 ( 7766 PWs) bands (ev): -19.8077 -19.8077 -19.7112 -19.7112 -15.9488 -15.9488 -15.9438 -15.9438 -6.4352 -6.4352 -6.3159 -6.3159 -4.5987 -4.5987 -4.4332 -4.4332 -4.3228 -4.3228 -4.3017 -4.3017 -1.6862 -1.6862 -1.0126 -1.0126 0.7241 0.7241 0.7537 0.7537 0.7637 0.7637 0.8466 0.8466 1.0473 1.0473 1.0997 1.0997 1.1371 1.1371 1.1600 1.1600 1.2230 1.2230 1.3673 1.3673 2.3275 2.3275 2.3456 2.3456 2.3999 2.3999 2.4367 2.4367 2.6563 2.6563 2.7928 2.7928 3.7760 3.7760 4.0541 4.0541 6.5973 6.5973 6.8016 6.8016 7.3392 7.3392 7.9141 7.9141 9.1669 9.1669 10.0056 10.0056 10.2498 10.2498 11.1516 11.1516 11.4037 11.4037 11.6924 11.6924 11.8210 11.8210 k = 0.0000 0.3333 0.2269 ( 7762 PWs) bands (ev): -19.8025 -19.8025 -19.7126 -19.7126 -15.9515 -15.9515 -15.9469 -15.9469 -6.4336 -6.4336 -6.3201 -6.3201 -4.5964 -4.5964 -4.4306 -4.4306 -4.3339 -4.3339 -4.3055 -4.3055 -1.6487 -1.6487 -1.0172 -1.0172 0.7286 0.7286 0.7564 0.7564 0.7674 0.7674 0.8487 0.8487 1.0524 1.0524 1.1000 1.1000 1.1339 1.1339 1.1590 1.1590 1.2158 1.2158 1.3684 1.3684 2.3353 2.3353 2.3538 2.3538 2.4053 2.4053 2.4556 2.4556 2.6442 2.6442 2.7744 2.7744 3.7238 3.7238 4.0123 4.0123 6.5919 6.5919 6.8343 6.8343 7.3223 7.3223 7.8844 7.8844 9.2049 9.2049 10.0026 10.0026 10.2202 10.2202 11.1368 11.1368 11.4096 11.4096 11.6444 11.6444 11.7950 11.7950 k = 0.0000 0.3472 0.2269 ( 7758 PWs) bands (ev): -19.7974 -19.7974 -19.7143 -19.7143 -15.9540 -15.9540 -15.9499 -15.9499 -6.4315 -6.4315 -6.3246 -6.3246 -4.5932 -4.5932 -4.4281 -4.4281 -4.3453 -4.3453 -4.3096 -4.3096 -1.6107 -1.6107 -1.0233 -1.0233 0.7331 0.7331 0.7588 0.7588 0.7715 0.7715 0.8505 0.8505 1.0579 1.0579 1.1003 1.1003 1.1310 1.1310 1.1583 1.1583 1.2085 1.2085 1.3677 1.3677 2.3431 2.3431 2.3616 2.3616 2.4107 2.4107 2.4734 2.4734 2.6324 2.6324 2.7550 2.7550 3.6798 3.6798 3.9700 3.9700 6.5885 6.5885 6.8711 6.8711 7.3015 7.3015 7.8528 7.8528 9.2430 9.2430 10.0092 10.0092 10.1877 10.1877 11.1257 11.1257 11.3955 11.3955 11.6075 11.6075 11.7704 11.7704 k = 0.0000 0.3611 0.2269 ( 7758 PWs) bands (ev): -19.7922 -19.7922 -19.7161 -19.7161 -15.9564 -15.9564 -15.9527 -15.9527 -6.4291 -6.4291 -6.3294 -6.3294 -4.5891 -4.5891 -4.4258 -4.4258 -4.3566 -4.3566 -4.3139 -4.3139 -1.5724 -1.5724 -1.0310 -1.0310 0.7374 0.7374 0.7610 0.7610 0.7761 0.7761 0.8520 0.8520 1.0637 1.0637 1.1006 1.1006 1.1284 1.1284 1.1581 1.1581 1.2013 1.2013 1.3648 1.3648 2.3509 2.3509 2.3689 2.3689 2.4160 2.4160 2.4896 2.4896 2.6212 2.6212 2.7352 2.7352 3.6436 3.6436 3.9276 3.9276 6.5888 6.5888 6.9092 6.9092 7.2777 7.2777 7.8194 7.8194 9.2814 9.2814 10.0248 10.0248 10.1531 10.1531 11.1184 11.1184 11.3544 11.3544 11.5909 11.5909 11.7478 11.7478 k = 0.0000 0.3750 0.2269 ( 7756 PWs) bands (ev): -19.7871 -19.7871 -19.7182 -19.7182 -15.9586 -15.9586 -15.9553 -15.9553 -6.4262 -6.4262 -6.3345 -6.3345 -4.5840 -4.5840 -4.4242 -4.4242 -4.3674 -4.3674 -4.3185 -4.3185 -1.5340 -1.5340 -1.0406 -1.0406 0.7415 0.7415 0.7628 0.7628 0.7811 0.7811 0.8531 0.8531 1.0698 1.0698 1.1008 1.1008 1.1262 1.1262 1.1585 1.1585 1.1944 1.1944 1.3597 1.3597 2.3587 2.3587 2.3758 2.3758 2.4213 2.4213 2.5037 2.5037 2.6109 2.6109 2.7157 2.7157 3.6147 3.6147 3.8856 3.8856 6.5937 6.5937 6.9465 6.9465 7.2524 7.2524 7.7844 7.7844 9.3206 9.3206 10.0471 10.0471 10.1182 10.1182 11.1150 11.1150 11.2915 11.2915 11.5907 11.5907 11.7264 11.7264 k = 0.0000 0.3889 0.2269 ( 7742 PWs) bands (ev): -19.7821 -19.7821 -19.7204 -19.7204 -15.9607 -15.9607 -15.9577 -15.9577 -6.4229 -6.4229 -6.3397 -6.3397 -4.5780 -4.5780 -4.4241 -4.4241 -4.3767 -4.3767 -4.3233 -4.3233 -1.4957 -1.4957 -1.0521 -1.0521 0.7454 0.7454 0.7645 0.7645 0.7865 0.7865 0.8538 0.8538 1.0760 1.0760 1.1011 1.1011 1.1245 1.1245 1.1597 1.1597 1.1879 1.1879 1.3524 1.3524 2.3662 2.3662 2.3821 2.3821 2.4267 2.4267 2.5150 2.5150 2.6021 2.6021 2.6972 2.6972 3.5925 3.5925 3.8445 3.8445 6.6033 6.6033 6.9800 6.9800 7.2284 7.2284 7.7478 7.7478 9.3607 9.3607 10.0586 10.0586 10.1002 10.1002 11.1155 11.1155 11.2167 11.2167 11.5983 11.5983 11.6767 11.6767 k = 0.0000 0.4028 0.2269 ( 7760 PWs) bands (ev): -19.7771 -19.7771 -19.7228 -19.7228 -15.9625 -15.9625 -15.9599 -15.9599 -6.4192 -6.4192 -6.3452 -6.3452 -4.5712 -4.5712 -4.4269 -4.4269 -4.3831 -4.3831 -4.3282 -4.3282 -1.4577 -1.4577 -1.0655 -1.0655 0.7490 0.7490 0.7657 0.7657 0.7922 0.7922 0.8538 0.8538 1.0821 1.0821 1.1013 1.1013 1.1233 1.1233 1.1614 1.1614 1.1821 1.1821 1.3429 1.3429 2.3734 2.3734 2.3878 2.3878 2.4322 2.4322 2.5224 2.5224 2.5960 2.5960 2.6803 2.6803 3.5764 3.5764 3.8048 3.8048 6.6175 6.6175 7.0046 7.0046 7.2112 7.2112 7.7097 7.7097 9.4019 9.4019 10.0274 10.0274 10.1304 10.1304 11.1183 11.1183 11.1375 11.1375 11.6073 11.6073 11.6172 11.6172 k = 0.0000 0.4167 0.2269 ( 7768 PWs) bands (ev): -19.7722 -19.7722 -19.7255 -19.7255 -15.9640 -15.9640 -15.9619 -15.9619 -6.4152 -6.4152 -6.3508 -6.3508 -4.5635 -4.5635 -4.4333 -4.4333 -4.3857 -4.3857 -4.3334 -4.3334 -1.4203 -1.4203 -1.0810 -1.0810 0.7522 0.7522 0.7666 0.7666 0.7982 0.7982 0.8532 0.8532 1.0877 1.0877 1.1016 1.1016 1.1225 1.1225 1.1626 1.1626 1.1787 1.1787 1.3312 1.3312 2.3802 2.3802 2.3928 2.3928 2.4379 2.4379 2.5251 2.5251 2.5933 2.5933 2.6653 2.6653 3.5658 3.5658 3.7668 3.7668 6.6362 6.6362 7.0128 7.0128 7.2085 7.2085 7.6704 7.6704 9.4442 9.4442 9.9864 9.9864 10.1755 10.1755 11.0511 11.0511 11.1298 11.1298 11.5567 11.5567 11.6192 11.6192 k = 0.0000 0.4306 0.2269 ( 7784 PWs) bands (ev): -19.7675 -19.7675 -19.7283 -19.7283 -15.9654 -15.9654 -15.9636 -15.9636 -6.4109 -6.4109 -6.3565 -6.3565 -4.5549 -4.5549 -4.4427 -4.4427 -4.3852 -4.3852 -4.3386 -4.3386 -1.3836 -1.3836 -1.0986 -1.0986 0.7551 0.7551 0.7672 0.7672 0.8044 0.8044 0.8519 0.8519 1.0926 1.0926 1.1020 1.1020 1.1224 1.1224 1.1608 1.1608 1.1804 1.1804 1.3178 1.3178 2.3864 2.3864 2.3969 2.3969 2.4440 2.4440 2.5229 2.5229 2.5941 2.5941 2.6525 2.6525 3.5603 3.5603 3.7312 3.7312 6.6592 6.6592 7.0009 7.0009 7.2244 7.2244 7.6301 7.6301 9.4876 9.4876 9.9433 9.9433 10.2275 10.2275 10.9666 10.9666 11.1425 11.1425 11.5005 11.5005 11.6285 11.6285 k = 0.0000 0.4444 0.2269 ( 7778 PWs) bands (ev): -19.7628 -19.7628 -19.7314 -19.7314 -15.9664 -15.9664 -15.9650 -15.9650 -6.4062 -6.4062 -6.3623 -6.3623 -4.5457 -4.5457 -4.4538 -4.4538 -4.3826 -4.3826 -4.3439 -4.3439 -1.3478 -1.3478 -1.1184 -1.1184 0.7577 0.7577 0.7675 0.7675 0.8107 0.8107 0.8498 0.8498 1.0964 1.0964 1.1027 1.1027 1.1232 1.1232 1.1565 1.1565 1.1871 1.1871 1.3030 1.3030 2.3918 2.3918 2.4003 2.4003 2.4507 2.4507 2.5173 2.5173 2.5972 2.5972 2.6418 2.6418 3.5595 3.5595 3.6982 3.6982 6.6860 6.6860 6.9743 6.9743 7.2541 7.2541 7.5888 7.5888 9.5319 9.5319 9.8989 9.8989 10.2851 10.2851 10.8821 10.8821 11.1597 11.1597 11.4473 11.4473 11.6365 11.6365 k = 0.0000 0.4583 0.2269 ( 7784 PWs) bands (ev): -19.7583 -19.7583 -19.7347 -19.7347 -15.9673 -15.9673 -15.9662 -15.9662 -6.4013 -6.4013 -6.3681 -6.3681 -4.5357 -4.5357 -4.4658 -4.4658 -4.3790 -4.3790 -4.3492 -4.3492 -1.3133 -1.3133 -1.1404 -1.1404 0.7600 0.7600 0.7674 0.7674 0.8170 0.8170 0.8470 0.8470 1.0989 1.0989 1.1033 1.1033 1.1250 1.1250 1.1513 1.1513 1.1969 1.1969 1.2871 1.2871 2.3963 2.3963 2.4027 2.4027 2.4579 2.4579 2.5096 2.5096 2.6014 2.6014 2.6330 2.6330 3.5631 3.5631 3.6681 3.6681 6.7163 6.7163 6.9398 6.9398 7.2912 7.2912 7.5467 7.5467 9.5770 9.5770 9.8536 9.8536 10.3476 10.3476 10.7986 10.7986 11.1811 11.1811 11.3975 11.3975 11.6429 11.6429 k = 0.0000 0.4722 0.2269 ( 7784 PWs) bands (ev): -19.7539 -19.7539 -19.7381 -19.7381 -15.9678 -15.9678 -15.9671 -15.9671 -6.3961 -6.3961 -6.3738 -6.3738 -4.5251 -4.5251 -4.4780 -4.4780 -4.3747 -4.3747 -4.3545 -4.3545 -1.2801 -1.2801 -1.1644 -1.1644 0.7620 0.7620 0.7669 0.7669 0.8231 0.8231 0.8435 0.8435 1.1006 1.1006 1.1036 1.1036 1.1279 1.1279 1.1460 1.1460 1.2090 1.2090 1.2707 1.2707 2.3999 2.3999 2.4041 2.4041 2.4657 2.4657 2.5010 2.5010 2.6059 2.6059 2.6259 2.6259 3.5709 3.5709 3.6414 3.6414 6.7497 6.7497 6.9018 6.9018 7.3319 7.3319 7.5039 7.5039 9.6227 9.6227 9.8078 9.8078 10.4145 10.4145 10.7166 10.7166 11.2068 11.2068 11.3514 11.3514 11.6481 11.6481 k = 0.0000 0.4861 0.2269 ( 7784 PWs) bands (ev): -19.7497 -19.7497 -19.7418 -19.7418 -15.9681 -15.9681 -15.9677 -15.9677 -6.3908 -6.3908 -6.3796 -6.3796 -4.5139 -4.5139 -4.4902 -4.4902 -4.3699 -4.3699 -4.3598 -4.3598 -1.2485 -1.2485 -1.1905 -1.1905 0.7637 0.7637 0.7662 0.7662 0.8289 0.8289 0.8392 0.8392 1.1018 1.1018 1.1034 1.1034 1.1316 1.1316 1.1408 1.1408 1.2229 1.2229 1.2542 1.2542 2.4024 2.4024 2.4046 2.4046 2.4741 2.4741 2.4919 2.4919 2.6104 2.6104 2.6201 2.6201 3.5828 3.5828 3.6181 3.6181 6.7856 6.7856 6.8625 6.8625 7.3743 7.3743 7.4608 7.4608 9.6689 9.6689 9.7616 9.7616 10.4852 10.4852 10.6367 10.6367 11.2367 11.2367 11.3091 11.3091 11.6523 11.6523 k = 0.0000 0.5000 0.2269 ( 7788 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5022 -4.5022 -4.5022 -4.5022 -4.3650 -4.3650 -4.3650 -4.3650 -1.2185 -1.2185 -1.2185 -1.2185 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1028 1.1028 1.1028 1.1028 1.1360 1.1360 1.1360 1.1360 1.2381 1.2381 1.2381 1.2381 2.4040 2.4040 2.4040 2.4040 2.4829 2.4829 2.4829 2.4829 2.6150 2.6150 2.6150 2.6150 3.5986 3.5986 3.5986 3.5986 6.8235 6.8235 6.8235 6.8235 7.4175 7.4175 7.4175 7.4175 9.7152 9.7152 9.7152 9.7152 10.5595 10.5595 10.5595 10.5595 11.2709 11.2709 11.2709 11.2709 11.6558 11.6558 k = 0.0000 0.5000 0.2269 ( 7788 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5022 -4.5022 -4.5022 -4.5022 -4.3650 -4.3650 -4.3650 -4.3650 -1.2185 -1.2185 -1.2185 -1.2185 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1028 1.1028 1.1028 1.1028 1.1360 1.1360 1.1360 1.1360 1.2381 1.2381 1.2381 1.2381 2.4040 2.4040 2.4040 2.4040 2.4829 2.4829 2.4829 2.4829 2.6150 2.6150 2.6150 2.6150 3.5986 3.5986 3.5986 3.5986 6.8235 6.8235 6.8235 6.8235 7.4175 7.4175 7.4175 7.4175 9.7152 9.7152 9.7152 9.7152 10.5595 10.5595 10.5595 10.5595 11.2709 11.2709 11.2709 11.2709 11.6558 11.6558 k = 0.0139 0.5000 0.2269 ( 7780 PWs) bands (ev): -19.7456 -19.7456 -19.7456 -19.7456 -15.9683 -15.9683 -15.9681 -15.9681 -6.3898 -6.3898 -6.3808 -6.3808 -4.5036 -4.5036 -4.5014 -4.5014 -4.3724 -4.3724 -4.3572 -4.3572 -1.2182 -1.2182 -1.2179 -1.2179 0.7625 0.7625 0.7677 0.7677 0.8315 0.8315 0.8371 0.8371 1.1012 1.1012 1.1042 1.1042 1.1350 1.1350 1.1370 1.1370 1.2371 1.2371 1.2397 1.2397 2.4020 2.4020 2.4064 2.4064 2.4722 2.4722 2.4893 2.4893 2.6075 2.6075 2.6272 2.6272 3.5987 3.5987 3.5997 3.5997 6.8167 6.8167 6.8259 6.8259 7.3948 7.3948 7.4191 7.4191 9.7151 9.7151 9.7343 9.7343 10.5605 10.5605 10.5652 10.5652 11.2604 11.2604 11.2605 11.2605 11.6709 11.6709 k = 0.0278 0.5000 0.2269 ( 7776 PWs) bands (ev): -19.7453 -19.7453 -19.7453 -19.7453 -15.9688 -15.9688 -15.9684 -15.9684 -6.3944 -6.3944 -6.3765 -6.3765 -4.5052 -4.5052 -4.5011 -4.5011 -4.3793 -4.3793 -4.3493 -4.3493 -1.2169 -1.2169 -1.2163 -1.2163 0.7598 0.7598 0.7701 0.7701 0.8287 0.8287 0.8398 0.8398 1.0994 1.0994 1.1054 1.1054 1.1341 1.1341 1.1379 1.1379 1.2368 1.2368 1.2420 1.2420 2.3999 2.3999 2.4094 2.4094 2.4596 2.4596 2.4894 2.4894 2.6066 2.6066 2.6421 2.6421 3.6000 3.6000 3.6019 3.6019 6.8055 6.8055 6.8240 6.8240 7.3524 7.3524 7.4001 7.4001 9.7334 9.7334 9.7706 9.7706 10.5684 10.5684 10.5780 10.5780 11.2333 11.2333 11.2337 11.2337 11.7120 11.7120 k = 0.0417 0.5000 0.2269 ( 7776 PWs) bands (ev): -19.7448 -19.7448 -19.7448 -19.7448 -15.9696 -15.9696 -15.9690 -15.9690 -6.3990 -6.3990 -6.3724 -6.3724 -4.5070 -4.5070 -4.5017 -4.5017 -4.3855 -4.3855 -4.3415 -4.3415 -1.2145 -1.2145 -1.2136 -1.2136 0.7571 0.7571 0.7724 0.7724 0.8260 0.8260 0.8424 0.8424 1.0975 1.0975 1.1063 1.1063 1.1332 1.1332 1.1388 1.1388 1.2372 1.2372 1.2449 1.2449 2.3969 2.3969 2.4130 2.4130 2.4474 2.4474 2.4831 2.4831 2.6122 2.6122 2.6585 2.6585 3.6025 3.6025 3.6053 3.6053 6.7897 6.7897 6.8176 6.8176 7.2930 7.2930 7.3622 7.3622 9.7674 9.7674 9.8204 9.8204 10.5843 10.5843 10.5987 10.5987 11.1977 11.1977 11.1987 11.1987 11.7707 11.7707 k = 0.0556 0.5000 0.2269 ( 7752 PWs) bands (ev): -19.7442 -19.7442 -19.7442 -19.7442 -15.9707 -15.9707 -15.9698 -15.9698 -6.4036 -6.4036 -6.3685 -6.3685 -4.5089 -4.5089 -4.5032 -4.5032 -4.3906 -4.3906 -4.3339 -4.3339 -1.2112 -1.2112 -1.2100 -1.2100 0.7544 0.7544 0.7744 0.7744 0.8234 0.8234 0.8449 0.8449 1.0956 1.0956 1.1068 1.1068 1.1326 1.1326 1.1399 1.1399 1.2383 1.2383 1.2484 1.2484 2.3913 2.3913 2.4171 2.4171 2.4380 2.4380 2.4723 2.4723 2.6226 2.6226 2.6755 2.6755 3.6062 3.6062 3.6097 3.6097 6.7690 6.7690 6.8061 6.8061 7.2202 7.2202 7.3085 7.3085 9.8127 9.8127 9.8782 9.8782 10.6094 10.6094 10.6284 10.6284 11.1601 11.1601 11.1621 11.1621 11.8404 11.8404 k = 0.0694 0.5000 0.2269 ( 7760 PWs) bands (ev): -19.7434 -19.7434 -19.7434 -19.7434 -15.9720 -15.9720 -15.9710 -15.9710 -6.4082 -6.4082 -6.3647 -6.3647 -4.5107 -4.5107 -4.5059 -4.5059 -4.3946 -4.3946 -4.3267 -4.3267 -1.2070 -1.2070 -1.2055 -1.2055 0.7517 0.7517 0.7759 0.7759 0.8211 0.8211 0.8472 0.8472 1.0934 1.0934 1.1067 1.1067 1.1324 1.1324 1.1409 1.1409 1.2400 1.2400 1.2522 1.2522 2.3817 2.3817 2.4209 2.4209 2.4333 2.4333 2.4598 2.4598 2.6358 2.6358 2.6926 2.6926 3.6110 3.6110 3.6150 3.6150 6.7431 6.7431 6.7887 6.7887 7.1381 7.1381 7.2429 7.2429 9.8638 9.8638 9.9381 9.9381 10.6454 10.6454 10.6681 10.6681 11.1246 11.1246 11.1282 11.1282 11.9169 11.9169 k = 0.0833 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7424 -19.7424 -19.7424 -19.7424 -15.9736 -15.9736 -15.9724 -15.9724 -6.4128 -6.4128 -6.3613 -6.3613 -4.5125 -4.5125 -4.5097 -4.5097 -4.3973 -4.3973 -4.3200 -4.3200 -1.2018 -1.2018 -1.2000 -1.2000 0.7490 0.7490 0.7769 0.7769 0.8194 0.8194 0.8495 0.8495 1.0913 1.0913 1.1060 1.1060 1.1327 1.1327 1.1421 1.1421 1.2422 1.2422 1.2564 1.2564 2.3689 2.3689 2.4217 2.4217 2.4330 2.4330 2.4496 2.4496 2.6504 2.6504 2.7094 2.7094 3.6167 3.6167 3.6211 3.6211 6.7113 6.7113 6.7635 6.7635 7.0519 7.0519 7.1691 7.1691 9.9154 9.9154 9.9941 9.9941 10.6929 10.6929 10.7177 10.7177 11.0952 11.0952 11.1005 11.1005 11.9966 11.9966 k = 0.0972 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7413 -19.7413 -19.7413 -19.7413 -15.9754 -15.9754 -15.9740 -15.9740 -6.4172 -6.4172 -6.3581 -6.3581 -4.5146 -4.5146 -4.5141 -4.5141 -4.3988 -4.3988 -4.3138 -4.3138 -1.1957 -1.1957 -1.1937 -1.1937 0.7463 0.7463 0.7772 0.7772 0.8183 0.8183 0.8516 0.8516 1.0891 1.0891 1.1046 1.1046 1.1336 1.1336 1.1434 1.1434 1.2449 1.2449 1.2609 1.2609 2.3544 2.3544 2.4143 2.4143 2.4357 2.4357 2.4479 2.4479 2.6655 2.6655 2.7258 2.7258 3.6232 3.6232 3.6277 3.6277 6.6727 6.6727 6.7268 6.7268 6.9677 6.9677 7.0911 7.0911 9.9631 9.9631 10.0417 10.0417 10.7492 10.7492 10.7733 10.7733 11.0773 11.0773 11.0837 11.0837 12.0759 12.0759 k = 0.1111 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7400 -19.7400 -19.7400 -19.7400 -15.9774 -15.9774 -15.9759 -15.9759 -6.4215 -6.4215 -6.3552 -6.3552 -4.5204 -4.5204 -4.5156 -4.5156 -4.3991 -4.3991 -4.3083 -4.3083 -1.1888 -1.1888 -1.1864 -1.1864 0.7435 0.7435 0.7766 0.7766 0.8180 0.8180 0.8537 0.8537 1.0868 1.0868 1.1027 1.1027 1.1351 1.1351 1.1449 1.1449 1.2480 1.2480 1.2657 1.2657 2.3393 2.3393 2.4007 2.4007 2.4404 2.4404 2.4532 2.4532 2.6805 2.6805 2.7415 2.7415 3.6304 3.6304 3.6348 3.6348 6.6265 6.6265 6.6733 6.6733 6.8933 6.8933 7.0125 7.0125 10.0041 10.0041 10.0787 10.0787 10.8051 10.8051 10.8238 10.8238 11.0821 11.0821 11.0867 11.0867 12.1489 12.1489 k = 0.1250 0.5000 0.2269 ( 7732 PWs) bands (ev): -19.7386 -19.7386 -19.7386 -19.7386 -15.9797 -15.9797 -15.9780 -15.9780 -6.4256 -6.4256 -6.3526 -6.3526 -4.5269 -4.5269 -4.5168 -4.5168 -4.3986 -4.3986 -4.3034 -4.3034 -1.1810 -1.1810 -1.1784 -1.1784 0.7408 0.7408 0.7750 0.7750 0.8187 0.8187 0.8558 0.8558 1.0845 1.0845 1.1004 1.1004 1.1370 1.1370 1.1467 1.1467 1.2515 1.2515 1.2706 1.2706 2.3243 2.3243 2.3854 2.3854 2.4467 2.4467 2.4611 2.4611 2.6953 2.6953 2.7565 2.7565 3.6381 3.6381 3.6420 3.6420 6.5718 6.5718 6.6000 6.6000 6.8337 6.8337 6.9363 6.9363 10.0374 10.0374 10.1051 10.1051 10.8439 10.8439 10.8520 10.8520 11.1231 11.1231 11.1247 11.1247 12.2068 12.2068 k = 0.1389 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.7370 -19.7370 -19.7370 -19.7370 -15.9822 -15.9822 -15.9803 -15.9803 -6.4296 -6.4296 -6.3504 -6.3504 -4.5338 -4.5338 -4.5179 -4.5179 -4.3973 -4.3973 -4.2993 -4.2993 -1.1725 -1.1725 -1.1697 -1.1697 0.7380 0.7380 0.7726 0.7726 0.8202 0.8202 0.8578 0.8578 1.0822 1.0822 1.0978 1.0978 1.1393 1.1393 1.1485 1.1485 1.2553 1.2553 1.2756 1.2756 2.3097 2.3097 2.3699 2.3699 2.4542 2.4542 2.4705 2.4705 2.7095 2.7095 2.7707 2.7707 3.6461 3.6461 3.6492 3.6492 6.5086 6.5086 6.5111 6.5111 6.7863 6.7863 6.8647 6.8647 10.0633 10.0633 10.1226 10.1226 10.8546 10.8546 10.8576 10.8576 11.1965 11.1965 11.2051 11.2051 12.2424 12.2424 k = 0.1528 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7354 -19.7354 -19.7354 -19.7354 -15.9848 -15.9848 -15.9828 -15.9828 -6.4333 -6.4333 -6.3485 -6.3485 -4.5410 -4.5410 -4.5187 -4.5187 -4.3954 -4.3954 -4.2960 -4.2960 -1.1633 -1.1633 -1.1602 -1.1602 0.7352 0.7352 0.7695 0.7695 0.8225 0.8225 0.8599 0.8599 1.0799 1.0799 1.0950 1.0950 1.1419 1.1419 1.1506 1.1506 1.2593 1.2593 1.2807 1.2807 2.2959 2.2959 2.3547 2.3547 2.4628 2.4628 2.4810 2.4810 2.7231 2.7231 2.7840 2.7840 3.6540 3.6540 3.6560 3.6560 6.4137 6.4137 6.4376 6.4376 6.7455 6.7455 6.7984 6.7984 10.0829 10.0829 10.1330 10.1330 10.8425 10.8425 10.8538 10.8538 11.2942 11.2942 11.3081 11.3081 12.2595 12.2595 k = 0.1667 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.7336 -19.7336 -19.7336 -19.7336 -15.9876 -15.9876 -15.9855 -15.9855 -6.4367 -6.4367 -6.3470 -6.3470 -4.5483 -4.5483 -4.5193 -4.5193 -4.3932 -4.3932 -4.2935 -4.2935 -1.1534 -1.1534 -1.1501 -1.1501 0.7324 0.7324 0.7659 0.7659 0.8253 0.8253 0.8621 0.8621 1.0777 1.0777 1.0922 1.0922 1.1448 1.1448 1.1529 1.1529 1.2635 1.2635 1.2859 1.2859 2.2828 2.2828 2.3401 2.3401 2.4724 2.4724 2.4923 2.4923 2.7358 2.7358 2.7963 2.7963 3.6615 3.6615 3.6621 3.6621 6.3131 6.3131 6.3608 6.3608 6.7073 6.7073 6.7371 6.7371 10.0975 10.0975 10.1382 10.1382 10.8238 10.8238 10.8412 10.8412 11.4025 11.4025 11.4214 11.4214 12.2680 12.2680 k = 0.1806 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7317 -19.7317 -19.7317 -19.7317 -15.9905 -15.9905 -15.9884 -15.9884 -6.4399 -6.4399 -6.3458 -6.3458 -4.5554 -4.5554 -4.5197 -4.5197 -4.3907 -4.3907 -4.2918 -4.2918 -1.1430 -1.1430 -1.1394 -1.1394 0.7297 0.7297 0.7619 0.7619 0.8287 0.8287 0.8643 0.8643 1.0756 1.0756 1.0893 1.0893 1.1479 1.1479 1.1554 1.1554 1.2679 1.2679 1.2911 1.2911 2.2707 2.2707 2.3263 2.3263 2.4828 2.4828 2.5044 2.5044 2.7478 2.7478 2.8077 2.8077 3.6673 3.6673 3.6685 3.6685 6.2125 6.2125 6.2806 6.2806 6.6697 6.6697 6.6796 6.6796 10.1081 10.1081 10.1398 10.1398 10.8019 10.8019 10.8240 10.8240 11.5123 11.5123 11.5369 11.5369 12.2711 12.2711 k = 0.1944 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7297 -19.7297 -19.7297 -19.7297 -15.9936 -15.9936 -15.9913 -15.9913 -6.4427 -6.4427 -6.3451 -6.3451 -4.5623 -4.5623 -4.5199 -4.5199 -4.3880 -4.3880 -4.2909 -4.2909 -1.1320 -1.1320 -1.1282 -1.1282 0.7269 0.7269 0.7576 0.7576 0.8324 0.8324 0.8666 0.8666 1.0735 1.0735 1.0865 1.0865 1.1511 1.1511 1.1580 1.1580 1.2724 1.2724 1.2963 1.2963 2.2595 2.2595 2.3133 2.3133 2.4941 2.4941 2.5172 2.5172 2.7589 2.7589 2.8181 2.8181 3.6711 3.6711 3.6744 3.6744 6.1139 6.1139 6.1993 6.1993 6.6246 6.6246 6.6316 6.6316 10.1157 10.1157 10.1390 10.1390 10.7780 10.7780 10.8037 10.8037 11.6179 11.6179 11.6486 11.6486 12.2658 12.2658 k = 0.2083 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7277 -19.7277 -19.7277 -19.7277 -15.9967 -15.9967 -15.9944 -15.9944 -6.4452 -6.4452 -6.3448 -6.3448 -4.5687 -4.5687 -4.5199 -4.5199 -4.3853 -4.3853 -4.2908 -4.2908 -1.1206 -1.1206 -1.1166 -1.1166 0.7240 0.7240 0.7532 0.7532 0.8365 0.8365 0.8691 0.8691 1.0715 1.0715 1.0837 1.0837 1.1545 1.1545 1.1607 1.1607 1.2769 1.2769 1.3014 1.3014 2.2494 2.2494 2.3012 2.3012 2.5062 2.5062 2.5306 2.5306 2.7691 2.7691 2.8274 2.8274 3.6733 3.6733 3.6790 3.6790 6.0189 6.0189 6.1190 6.1190 6.5712 6.5712 6.5927 6.5927 10.1212 10.1212 10.1366 10.1366 10.7527 10.7527 10.7810 10.7810 11.7144 11.7144 11.7512 11.7512 12.2653 12.2653 k = 0.2222 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7256 -19.7256 -19.7256 -19.7256 -15.9999 -15.9999 -15.9976 -15.9976 -6.4474 -6.4474 -6.3448 -6.3448 -4.5748 -4.5748 -4.5198 -4.5198 -4.3825 -4.3825 -4.2915 -4.2915 -1.1088 -1.1088 -1.1047 -1.1047 0.7212 0.7212 0.7486 0.7486 0.8408 0.8408 0.8717 0.8717 1.0696 1.0696 1.0809 1.0809 1.1580 1.1580 1.1636 1.1636 1.2816 1.2816 1.3064 1.3064 2.2404 2.2404 2.2901 2.2901 2.5189 2.5189 2.5445 2.5445 2.7785 2.7785 2.8358 2.8358 3.6736 3.6736 3.6819 3.6819 5.9284 5.9284 6.0412 6.0412 6.5187 6.5187 6.5527 6.5527 10.1250 10.1250 10.1332 10.1332 10.7262 10.7262 10.7563 10.7563 11.7983 11.7983 11.8386 11.8386 12.2738 12.2738 k = 0.2361 0.5000 0.2269 ( 7752 PWs) bands (ev): -19.7235 -19.7235 -19.7235 -19.7235 -16.0032 -16.0032 -16.0008 -16.0008 -6.4492 -6.4492 -6.3453 -6.3453 -4.5802 -4.5802 -4.5196 -4.5196 -4.3798 -4.3798 -4.2929 -4.2929 -1.0967 -1.0967 -1.0925 -1.0925 0.7184 0.7184 0.7440 0.7440 0.8454 0.8454 0.8745 0.8745 1.0677 1.0677 1.0783 1.0783 1.1616 1.1616 1.1666 1.1666 1.2863 1.2863 1.3114 1.3114 2.2325 2.2325 2.2799 2.2799 2.5323 2.5323 2.5588 2.5588 2.7869 2.7869 2.8432 2.8432 3.6716 3.6716 3.6826 3.6826 5.8433 5.8433 5.9674 5.9674 6.4666 6.4666 6.5118 6.5118 10.1274 10.1274 10.1292 10.1292 10.6987 10.6987 10.7298 10.7298 11.8667 11.8667 11.9046 11.9046 12.2969 12.2969 k = 0.2500 0.5000 0.2269 ( 7752 PWs) bands (ev): -19.7214 -19.7214 -19.7214 -19.7214 -16.0064 -16.0064 -16.0041 -16.0041 -6.4506 -6.4506 -6.3461 -6.3461 -4.5851 -4.5851 -4.5193 -4.5193 -4.3772 -4.3772 -4.2950 -4.2950 -1.0845 -1.0845 -1.0802 -1.0802 0.7156 0.7156 0.7394 0.7394 0.8502 0.8502 0.8775 0.8775 1.0660 1.0660 1.0757 1.0757 1.1652 1.1652 1.1697 1.1697 1.2910 1.2910 1.3163 1.3163 2.2256 2.2256 2.2708 2.2708 2.5462 2.5462 2.5736 2.5736 2.7944 2.7944 2.8496 2.8496 3.6670 3.6670 3.6809 3.6809 5.7645 5.7645 5.8986 5.8986 6.4147 6.4147 6.4699 6.4699 10.1250 10.1250 10.1287 10.1287 10.6706 10.6706 10.7018 10.7018 11.9179 11.9179 11.9459 11.9459 12.3379 12.3379 k = 0.2639 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7192 -19.7192 -19.7192 -19.7192 -16.0097 -16.0097 -16.0073 -16.0073 -6.4516 -6.4516 -6.3474 -6.3474 -4.5893 -4.5893 -4.5190 -4.5190 -4.3747 -4.3747 -4.2978 -4.2978 -1.0721 -1.0721 -1.0678 -1.0678 0.7128 0.7128 0.7348 0.7348 0.8552 0.8552 0.8807 0.8807 1.0643 1.0643 1.0733 1.0733 1.1689 1.1689 1.1729 1.1729 1.2958 1.2958 1.3210 1.3210 2.2199 2.2199 2.2627 2.2627 2.5605 2.5605 2.5886 2.5886 2.8010 2.8010 2.8551 2.8551 3.6598 3.6598 3.6765 3.6765 5.6925 5.6925 5.8353 5.8353 6.3630 6.3630 6.4272 6.4272 10.1207 10.1207 10.1291 10.1291 10.6422 10.6422 10.6727 10.6727 11.9525 11.9525 11.9652 11.9652 12.3947 12.3947 k = 0.2778 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7171 -19.7171 -19.7171 -19.7171 -16.0130 -16.0130 -16.0106 -16.0106 -6.4522 -6.4522 -6.3490 -6.3490 -4.5928 -4.5928 -4.5187 -4.5187 -4.3724 -4.3724 -4.3010 -4.3010 -1.0598 -1.0598 -1.0554 -1.0554 0.7101 0.7101 0.7304 0.7304 0.8603 0.8603 0.8840 0.8840 1.0628 1.0628 1.0710 1.0710 1.1725 1.1725 1.1761 1.1761 1.3006 1.3006 1.3256 1.3256 2.2152 2.2152 2.2556 2.2556 2.5751 2.5751 2.6039 2.6039 2.8067 2.8067 2.8596 2.8596 3.6498 3.6498 3.6691 3.6691 5.6278 5.6278 5.7784 5.7784 6.3114 6.3114 6.3839 6.3839 10.1164 10.1164 10.1286 10.1286 10.6136 10.6136 10.6429 10.6429 11.9697 11.9697 11.9730 11.9730 12.4591 12.4591 k = 0.2917 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.7150 -19.7150 -19.7150 -19.7150 -16.0161 -16.0161 -16.0138 -16.0138 -6.4523 -6.4523 -6.3510 -6.3510 -4.5956 -4.5956 -4.5185 -4.5185 -4.3703 -4.3703 -4.3047 -4.3047 -1.0475 -1.0475 -1.0431 -1.0431 0.7074 0.7074 0.7260 0.7260 0.8656 0.8656 0.8875 0.8875 1.0613 1.0613 1.0687 1.0687 1.1762 1.1762 1.1793 1.1793 1.3053 1.3053 1.3300 1.3300 2.2115 2.2115 2.2495 2.2495 2.5901 2.5901 2.6192 2.6192 2.8115 2.8115 2.8632 2.8632 3.6371 3.6371 3.6586 3.6586 5.5708 5.5708 5.7280 5.7280 6.2599 6.2599 6.3401 6.3401 10.1121 10.1121 10.1272 10.1272 10.5853 10.5853 10.6128 10.6128 11.9659 11.9659 11.9831 11.9831 12.5125 12.5125 k = 0.3056 0.5000 0.2269 ( 7732 PWs) bands (ev): -19.7130 -19.7130 -19.7130 -19.7130 -16.0192 -16.0192 -16.0170 -16.0170 -6.4521 -6.4521 -6.3534 -6.3534 -4.5977 -4.5977 -4.5184 -4.5184 -4.3683 -4.3683 -4.3088 -4.3088 -1.0354 -1.0354 -1.0311 -1.0311 0.7048 0.7048 0.7218 0.7218 0.8710 0.8710 0.8912 0.8912 1.0599 1.0599 1.0666 1.0666 1.1798 1.1798 1.1825 1.1825 1.3101 1.3101 1.3343 1.3343 2.2089 2.2089 2.2445 2.2445 2.6052 2.6052 2.6346 2.6346 2.8155 2.8155 2.8659 2.8659 3.6216 3.6216 3.6450 3.6450 5.5217 5.5217 5.6845 5.6845 6.2088 6.2088 6.2959 6.2959 10.1078 10.1078 10.1249 10.1249 10.5576 10.5576 10.5828 10.5828 11.9584 11.9584 11.9866 11.9866 12.5664 12.5664 k = 0.3194 0.5000 0.2269 ( 7736 PWs) bands (ev): -19.7110 -19.7110 -19.7110 -19.7110 -16.0222 -16.0222 -16.0201 -16.0201 -6.4514 -6.4514 -6.3561 -6.3561 -4.5990 -4.5990 -4.5186 -4.5186 -4.3665 -4.3665 -4.3132 -4.3132 -1.0236 -1.0236 -1.0194 -1.0194 0.7023 0.7023 0.7177 0.7177 0.8764 0.8764 0.8950 0.8950 1.0585 1.0585 1.0645 1.0645 1.1833 1.1833 1.1856 1.1856 1.3148 1.3148 1.3383 1.3383 2.2073 2.2073 2.2404 2.2404 2.6203 2.6203 2.6500 2.6500 2.8186 2.8186 2.8677 2.8677 3.6037 3.6037 3.6284 3.6284 5.4807 5.4807 5.6479 5.6479 6.1581 6.1581 6.2517 6.2517 10.1036 10.1036 10.1218 10.1218 10.5308 10.5308 10.5533 10.5533 11.9499 11.9499 11.9864 11.9864 12.6167 12.6167 k = 0.3333 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.7091 -19.7091 -19.7091 -19.7091 -16.0251 -16.0251 -16.0231 -16.0231 -6.4504 -6.4504 -6.3592 -6.3592 -4.5995 -4.5995 -4.5191 -4.5191 -4.3649 -4.3649 -4.3177 -4.3177 -1.0122 -1.0122 -1.0081 -1.0081 0.6999 0.6999 0.7138 0.7138 0.8818 0.8818 0.8988 0.8988 1.0572 1.0572 1.0626 1.0626 1.1867 1.1867 1.1887 1.1887 1.3195 1.3195 1.3422 1.3422 2.2066 2.2066 2.2372 2.2372 2.6354 2.6354 2.6652 2.6652 2.8209 2.8209 2.8686 2.8686 3.5837 3.5837 3.6092 3.6092 5.4476 5.4476 5.6180 5.6180 6.1080 6.1080 6.2076 6.2076 10.0993 10.0993 10.1179 10.1179 10.5051 10.5051 10.5247 10.5247 11.9423 11.9423 11.9847 11.9847 12.6591 12.6591 k = 0.3472 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7072 -19.7072 -19.7072 -19.7072 -16.0279 -16.0279 -16.0259 -16.0259 -6.4489 -6.4489 -6.3626 -6.3626 -4.5993 -4.5993 -4.5199 -4.5199 -4.3635 -4.3635 -4.3222 -4.3222 -1.0013 -1.0013 -0.9973 -0.9973 0.6977 0.6977 0.7101 0.7101 0.8872 0.8872 0.9026 0.9026 1.0559 1.0559 1.0607 1.0607 1.1899 1.1899 1.1916 1.1916 1.3241 1.3241 1.3457 1.3457 2.2067 2.2067 2.2348 2.2348 2.6503 2.6503 2.6801 2.6801 2.8223 2.8223 2.8686 2.8686 3.5621 3.5621 3.5878 3.5878 5.4223 5.4223 5.5946 5.5946 6.0588 6.0588 6.1637 6.1637 10.0950 10.0950 10.1133 10.1133 10.4809 10.4809 10.4974 10.4974 11.9366 11.9366 11.9831 11.9831 12.6901 12.6901 k = 0.3611 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7055 -19.7055 -19.7055 -19.7055 -16.0304 -16.0304 -16.0286 -16.0286 -6.4470 -6.4470 -6.3662 -6.3662 -4.5984 -4.5984 -4.5211 -4.5211 -4.3623 -4.3623 -4.3267 -4.3267 -0.9909 -0.9909 -0.9872 -0.9872 0.6956 0.6956 0.7066 0.7066 0.8925 0.8925 0.9064 0.9064 1.0548 1.0548 1.0589 1.0589 1.1931 1.1931 1.1945 1.1945 1.3287 1.3287 1.3491 1.3491 2.2076 2.2076 2.2333 2.2333 2.6650 2.6650 2.6947 2.6947 2.8230 2.8230 2.8678 2.8678 3.5395 3.5395 3.5647 3.5647 5.4043 5.4043 5.5772 5.5772 6.0108 6.0108 6.1203 6.1203 10.0908 10.0908 10.1080 10.1080 10.4581 10.4581 10.4715 10.4715 11.9336 11.9336 11.9825 11.9825 12.7076 12.7076 k = 0.3750 0.5000 0.2269 ( 7740 PWs) bands (ev): -19.7039 -19.7039 -19.7039 -19.7039 -16.0328 -16.0328 -16.0311 -16.0311 -6.4448 -6.4448 -6.3701 -6.3701 -4.5968 -4.5968 -4.5228 -4.5228 -4.3612 -4.3612 -4.3311 -4.3311 -0.9812 -0.9812 -0.9777 -0.9777 0.6937 0.6937 0.7034 0.7034 0.8976 0.8976 0.9101 0.9101 1.0537 1.0537 1.0572 1.0572 1.1960 1.1960 1.1972 1.1972 1.3331 1.3331 1.3521 1.3521 2.2091 2.2091 2.2324 2.2324 2.6793 2.6793 2.7087 2.7087 2.8230 2.8230 2.8662 2.8662 3.5164 3.5164 3.5406 3.5406 5.3933 5.3933 5.5654 5.5654 5.9641 5.9641 6.0776 6.0776 10.0866 10.0866 10.1023 10.1023 10.4371 10.4371 10.4475 10.4475 11.9335 11.9335 11.9835 11.9835 12.7118 12.7118 k = 0.3889 0.5000 0.2269 ( 7752 PWs) bands (ev): -19.7025 -19.7025 -19.7024 -19.7024 -16.0349 -16.0349 -16.0334 -16.0334 -6.4422 -6.4422 -6.3742 -6.3742 -4.5945 -4.5945 -4.5251 -4.5251 -4.3603 -4.3603 -4.3351 -4.3351 -0.9723 -0.9723 -0.9691 -0.9691 0.6919 0.6919 0.7004 0.7004 0.9025 0.9025 0.9136 0.9136 1.0526 1.0526 1.0556 1.0556 1.1986 1.1986 1.1996 1.1996 1.3373 1.3373 1.3548 1.3548 2.2113 2.2113 2.2320 2.2320 2.6931 2.6931 2.7222 2.7222 2.8222 2.8222 2.8638 2.8638 3.4935 3.4935 3.5162 3.5162 5.3886 5.3886 5.5585 5.5585 5.9194 5.9194 6.0358 6.0358 10.0824 10.0824 10.0964 10.0964 10.4179 10.4179 10.4256 10.4256 11.9365 11.9365 11.9862 11.9862 12.7049 12.7049 k = 0.4028 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.7011 -19.7011 -19.7011 -19.7011 -16.0369 -16.0369 -16.0355 -16.0355 -6.4392 -6.4392 -6.3785 -6.3785 -4.5916 -4.5916 -4.5278 -4.5278 -4.3595 -4.3595 -4.3389 -4.3389 -0.9641 -0.9641 -0.9612 -0.9612 0.6904 0.6904 0.6977 0.6977 0.9072 0.9072 0.9169 0.9169 1.0516 1.0516 1.0541 1.0541 1.2011 1.2011 1.2019 1.2019 1.3414 1.3414 1.3572 1.3572 2.2138 2.2138 2.2321 2.2321 2.7063 2.7063 2.7350 2.7350 2.8208 2.8208 2.8606 2.8606 3.4716 3.4716 3.4923 3.4923 5.3899 5.3899 5.5556 5.5556 5.8771 5.8771 5.9951 5.9951 10.0785 10.0785 10.0905 10.0905 10.4007 10.4007 10.4059 10.4059 11.9424 11.9424 11.9905 11.9905 12.6899 12.6899 k = 0.4167 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.7000 -19.7000 -19.7000 -19.7000 -16.0386 -16.0386 -16.0374 -16.0374 -6.4359 -6.4359 -6.3830 -6.3830 -4.5881 -4.5881 -4.5311 -4.5311 -4.3588 -4.3588 -4.3423 -4.3423 -0.9569 -0.9569 -0.9543 -0.9543 0.6891 0.6891 0.6953 0.6953 0.9115 0.9115 0.9198 0.9198 1.0507 1.0507 1.0528 1.0528 1.2032 1.2032 1.2038 1.2038 1.3452 1.3452 1.3591 1.3591 2.2167 2.2167 2.2324 2.2324 2.7188 2.7188 2.7469 2.7469 2.8190 2.8190 2.8567 2.8567 3.4512 3.4512 3.4695 3.4695 5.3963 5.3963 5.5555 5.5555 5.8381 5.8381 5.9557 5.9557 10.0748 10.0748 10.0848 10.0848 10.3854 10.3854 10.3886 10.3886 11.9508 11.9508 11.9961 11.9961 12.6703 12.6703 k = 0.4306 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.6990 -19.6990 -19.6989 -19.6989 -16.0400 -16.0400 -16.0390 -16.0390 -6.4324 -6.4324 -6.3876 -6.3876 -4.5841 -4.5841 -4.5348 -4.5348 -4.3582 -4.3582 -4.3453 -4.3453 -0.9506 -0.9506 -0.9484 -0.9484 0.6881 0.6881 0.6931 0.6931 0.9153 0.9153 0.9223 0.9223 1.0500 1.0500 1.0516 1.0516 1.2051 1.2051 1.2056 1.2056 1.3488 1.3488 1.3606 1.3606 2.2196 2.2196 2.2328 2.2328 2.7306 2.7306 2.7577 2.7577 2.8168 2.8168 2.8522 2.8522 3.4330 3.4330 3.4487 3.4487 5.4074 5.4074 5.5566 5.5566 5.8040 5.8040 5.9180 5.9180 10.0715 10.0715 10.0795 10.0795 10.3722 10.3722 10.3739 10.3739 11.9612 11.9612 12.0024 12.0024 12.6489 12.6489 k = 0.4444 0.5000 0.2269 ( 7752 PWs) bands (ev): -19.6981 -19.6981 -19.6981 -19.6981 -16.0412 -16.0412 -16.0404 -16.0404 -6.4285 -6.4285 -6.3923 -6.3923 -4.5797 -4.5797 -4.5391 -4.5391 -4.3576 -4.3576 -4.3479 -4.3479 -0.9453 -0.9453 -0.9436 -0.9436 0.6873 0.6873 0.6913 0.6913 0.9187 0.9187 0.9243 0.9243 1.0493 1.0493 1.0505 1.0505 1.2066 1.2066 1.2070 1.2070 1.3520 1.3520 1.3616 1.3616 2.2226 2.2226 2.2332 2.2332 2.7414 2.7414 2.7669 2.7669 2.8149 2.8149 2.8471 2.8471 3.4176 3.4176 3.4304 3.4304 5.4224 5.4224 5.5566 5.5566 5.7765 5.7765 5.8823 5.8823 10.0687 10.0687 10.0748 10.0748 10.3612 10.3612 10.3618 10.3618 11.9729 11.9729 12.0085 12.0085 12.6285 12.6285 k = 0.4583 0.5000 0.2269 ( 7744 PWs) bands (ev): -19.6975 -19.6975 -19.6975 -19.6975 -16.0421 -16.0421 -16.0415 -16.0415 -6.4245 -6.4245 -6.3970 -6.3970 -4.5749 -4.5749 -4.5437 -4.5437 -4.3569 -4.3569 -4.3501 -4.3501 -0.9411 -0.9411 -0.9398 -0.9398 0.6868 0.6868 0.6897 0.6897 0.9216 0.9216 0.9258 0.9258 1.0488 1.0488 1.0497 1.0497 1.2079 1.2079 1.2081 1.2081 1.3549 1.3549 1.3622 1.3622 2.2254 2.2254 2.2334 2.2334 2.7513 2.7513 2.7739 2.7739 2.8137 2.8137 2.8415 2.8415 3.4054 3.4054 3.4152 3.4152 5.4407 5.4407 5.5527 5.5527 5.7585 5.7585 5.8490 5.8490 10.0665 10.0665 10.0709 10.0709 10.3524 10.3524 10.3525 10.3525 11.9849 11.9849 12.0134 12.0134 12.6113 12.6113 k = 0.4722 0.5000 0.2269 ( 7748 PWs) bands (ev): -19.6970 -19.6970 -19.6970 -19.6970 -16.0427 -16.0427 -16.0423 -16.0423 -6.4202 -6.4202 -6.4018 -6.4018 -4.5698 -4.5698 -4.5487 -4.5487 -4.3563 -4.3563 -4.3519 -4.3519 -0.9381 -0.9381 -0.9372 -0.9372 0.6865 0.6865 0.6885 0.6885 0.9239 0.9239 0.9267 0.9267 1.0484 1.0484 1.0490 1.0490 1.2088 1.2088 1.2089 1.2089 1.3573 1.3573 1.3622 1.3622 2.2279 2.2279 2.2333 2.2333 2.7600 2.7600 2.7774 2.7774 2.8146 2.8146 2.8355 2.8355 3.3969 3.3969 3.4035 3.4035 5.4615 5.4615 5.5427 5.5427 5.7519 5.7519 5.8187 5.8187 10.0650 10.0650 10.0678 10.0678 10.3458 10.3458 10.3460 10.3460 11.9962 11.9962 12.0162 12.0162 12.5991 12.5991 k = 0.4861 0.5000 0.2269 ( 7760 PWs) bands (ev): -19.6967 -19.6967 -19.6967 -19.6967 -16.0431 -16.0431 -16.0428 -16.0428 -6.4158 -6.4158 -6.4065 -6.4065 -4.5646 -4.5646 -4.5539 -4.5539 -4.3555 -4.3555 -4.3533 -4.3533 -0.9361 -0.9361 -0.9356 -0.9356 0.6865 0.6865 0.6875 0.6875 0.9256 0.9256 0.9270 0.9270 1.0483 1.0483 1.0485 1.0485 1.2093 1.2093 1.2094 1.2094 1.3592 1.3592 1.3617 1.3617 2.2300 2.2300 2.2327 2.2327 2.7675 2.7675 2.7771 2.7771 2.8180 2.8180 2.8293 2.8293 3.3924 3.3924 3.3957 3.3957 5.4837 5.4837 5.5265 5.5265 5.7567 5.7567 5.7923 5.7923 10.0643 10.0643 10.0657 10.0657 10.3419 10.3419 10.3421 10.3421 12.0057 12.0057 12.0160 12.0160 12.5934 12.5934 k = 0.5000 0.5000 0.2269 ( 7776 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5592 -4.5592 -4.5592 -4.5592 -4.3545 -4.3545 -4.3545 -4.3545 -0.9353 -0.9353 -0.9353 -0.9353 0.6869 0.6869 0.6869 0.6869 0.9265 0.9265 0.9265 0.9265 1.0483 1.0483 1.0483 1.0483 1.2095 1.2095 1.2095 1.2095 1.3607 1.3607 1.3607 1.3607 2.2316 2.2316 2.2316 2.2316 2.7734 2.7734 2.7734 2.7734 2.8232 2.8232 2.8232 2.8232 3.3919 3.3919 3.3919 3.3919 5.5060 5.5060 5.5060 5.5060 5.7710 5.7710 5.7710 5.7710 10.0645 10.0645 10.0645 10.0645 10.3407 10.3407 10.3407 10.3407 12.0125 12.0125 12.0125 12.0125 12.5949 12.5949 k = 0.5000 0.5000 0.2269 ( 7776 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5592 -4.5592 -4.5592 -4.5592 -4.3545 -4.3545 -4.3545 -4.3545 -0.9353 -0.9353 -0.9353 -0.9353 0.6869 0.6869 0.6869 0.6869 0.9265 0.9265 0.9265 0.9265 1.0483 1.0483 1.0483 1.0483 1.2095 1.2095 1.2095 1.2095 1.3607 1.3607 1.3607 1.3607 2.2316 2.2316 2.2316 2.2316 2.7734 2.7734 2.7734 2.7734 2.8232 2.8232 2.8232 2.8232 3.3919 3.3919 3.3919 3.3919 5.5060 5.5060 5.5060 5.5060 5.7710 5.7710 5.7710 5.7710 10.0645 10.0645 10.0645 10.0645 10.3407 10.3407 10.3407 10.3407 12.0125 12.0125 12.0125 12.0125 12.5949 12.5949 k = 0.4902 0.4902 0.2269 ( 7764 PWs) bands (ev): -19.6968 -19.6968 -19.6966 -19.6966 -16.0431 -16.0431 -16.0428 -16.0428 -6.4158 -6.4158 -6.4065 -6.4065 -4.5646 -4.5646 -4.5539 -4.5539 -4.3555 -4.3555 -4.3533 -4.3533 -0.9365 -0.9365 -0.9352 -0.9352 0.6865 0.6865 0.6875 0.6875 0.9255 0.9255 0.9269 0.9269 1.0482 1.0482 1.0485 1.0485 1.2093 1.2093 1.2094 1.2094 1.3591 1.3591 1.3619 1.3619 2.2298 2.2298 2.2329 2.2329 2.7675 2.7675 2.7772 2.7772 2.8179 2.8179 2.8293 2.8293 3.3921 3.3921 3.3959 3.3959 5.4834 5.4834 5.5269 5.5269 5.7564 5.7564 5.7925 5.7925 10.0643 10.0643 10.0657 10.0657 10.3418 10.3418 10.3421 10.3421 12.0052 12.0052 12.0166 12.0166 12.5928 12.5928 k = 0.4804 0.4804 0.2269 ( 7754 PWs) bands (ev): -19.6973 -19.6973 -19.6966 -19.6966 -16.0427 -16.0427 -16.0423 -16.0423 -6.4202 -6.4202 -6.4018 -6.4018 -4.5699 -4.5699 -4.5486 -4.5486 -4.3563 -4.3563 -4.3518 -4.3518 -0.9401 -0.9401 -0.9351 -0.9351 0.6863 0.6863 0.6887 0.6887 0.9239 0.9239 0.9267 0.9267 1.0483 1.0483 1.0491 1.0491 1.2087 1.2087 1.2090 1.2090 1.3563 1.3563 1.3631 1.3631 2.2267 2.2267 2.2346 2.2346 2.7596 2.7596 2.7786 2.7786 2.8134 2.8134 2.8360 2.8360 3.3951 3.3951 3.4052 3.4052 5.4590 5.4590 5.5464 5.5464 5.7489 5.7489 5.8204 5.8204 10.0649 10.0649 10.0680 10.0680 10.3454 10.3454 10.3464 10.3464 11.9928 11.9928 12.0198 12.0198 12.5953 12.5953 k = 0.4706 0.4706 0.2269 ( 7750 PWs) bands (ev): -19.6983 -19.6983 -19.6967 -19.6967 -16.0421 -16.0421 -16.0415 -16.0415 -6.4246 -6.4246 -6.3970 -6.3970 -4.5753 -4.5753 -4.5433 -4.5433 -4.3571 -4.3571 -4.3499 -4.3499 -0.9460 -0.9460 -0.9350 -0.9350 0.6860 0.6860 0.6905 0.6905 0.9216 0.9216 0.9258 0.9258 1.0485 1.0485 1.0500 1.0500 1.2076 1.2076 1.2084 1.2084 1.3521 1.3521 1.3649 1.3649 2.2221 2.2221 2.2372 2.2372 2.7501 2.7501 2.7774 2.7774 2.8097 2.8097 2.8430 2.8430 3.4005 3.4005 3.4201 3.4201 5.4331 5.4331 5.5651 5.5651 5.7482 5.7482 5.8540 5.8540 10.0661 10.0661 10.0715 10.0715 10.3512 10.3512 10.3535 10.3535 11.9759 11.9759 12.0236 12.0236 12.6009 12.6009 k = 0.4608 0.4608 0.2269 ( 7754 PWs) bands (ev): -19.6995 -19.6995 -19.6967 -19.6967 -16.0412 -16.0412 -16.0404 -16.0404 -6.4288 -6.4288 -6.3921 -6.3921 -4.5806 -4.5806 -4.5380 -4.5380 -4.3579 -4.3579 -4.3476 -4.3476 -0.9544 -0.9544 -0.9348 -0.9348 0.6857 0.6857 0.6928 0.6928 0.9188 0.9188 0.9242 0.9242 1.0487 1.0487 1.0511 1.0511 1.2062 1.2062 1.2075 1.2075 1.3464 1.3464 1.3671 1.3671 2.2164 2.2164 2.2408 2.2408 2.7393 2.7393 2.7740 2.7740 2.8065 2.8065 2.8500 2.8500 3.4081 3.4081 3.4401 3.4401 5.4062 5.4062 5.5838 5.5838 5.7541 5.7541 5.8925 5.8925 10.0681 10.0681 10.0763 10.0763 10.3591 10.3591 10.3635 10.3635 11.9561 11.9561 12.0281 12.0281 12.6091 12.6091 k = 0.4510 0.4510 0.2269 ( 7746 PWs) bands (ev): -19.7011 -19.7011 -19.6968 -19.6968 -16.0400 -16.0400 -16.0390 -16.0390 -6.4328 -6.4328 -6.3872 -6.3872 -4.5860 -4.5860 -4.5327 -4.5327 -4.3588 -4.3588 -4.3448 -4.3448 -0.9651 -0.9651 -0.9346 -0.9346 0.6853 0.6853 0.6957 0.6957 0.9154 0.9154 0.9221 0.9221 1.0491 1.0491 1.0525 1.0525 1.2045 1.2045 1.2064 1.2064 1.3393 1.3393 1.3698 1.3698 2.2102 2.2102 2.2453 2.2453 2.7275 2.7275 2.7685 2.7685 2.8033 2.8033 2.8570 2.8570 3.4180 3.4180 3.4646 3.4646 5.3788 5.3788 5.6031 5.6031 5.7661 5.7661 5.9352 5.9352 10.0709 10.0709 10.0823 10.0823 10.3688 10.3688 10.3763 10.3763 11.9355 11.9355 12.0333 12.0333 12.6197 12.6197 k = 0.4412 0.4412 0.2269 ( 7740 PWs) bands (ev): -19.7031 -19.7031 -19.6968 -19.6968 -16.0385 -16.0385 -16.0373 -16.0373 -6.4367 -6.4367 -6.3822 -6.3822 -4.5913 -4.5913 -4.5275 -4.5275 -4.3597 -4.3597 -4.3415 -4.3415 -0.9781 -0.9781 -0.9344 -0.9344 0.6849 0.6849 0.6991 0.6991 0.9115 0.9115 0.9195 0.9195 1.0495 1.0495 1.0542 1.0542 1.2025 1.2025 1.2050 1.2050 1.3310 1.3310 1.3728 1.3728 2.2039 2.2039 2.2510 2.2510 2.7148 2.7148 2.7614 2.7614 2.7995 2.7995 2.8637 2.8637 3.4300 3.4300 3.4929 3.4929 5.3515 5.3515 5.6235 5.6235 5.7839 5.7839 5.9815 5.9815 10.0745 10.0745 10.0896 10.0896 10.3802 10.3802 10.3920 10.3920 11.9160 11.9160 12.0389 12.0389 12.6323 12.6323 k = 0.4314 0.4314 0.2269 ( 7748 PWs) bands (ev): -19.7054 -19.7054 -19.6969 -19.6969 -16.0368 -16.0368 -16.0354 -16.0354 -6.4404 -6.4404 -6.3772 -6.3772 -4.5965 -4.5965 -4.5222 -4.5222 -4.3607 -4.3607 -4.3377 -4.3377 -0.9936 -0.9936 -0.9341 -0.9341 0.6844 0.6844 0.7030 0.7030 0.9071 0.9071 0.9163 0.9163 1.0499 1.0499 1.0560 1.0560 1.2002 1.2002 1.2033 1.2033 1.3216 1.3216 1.3762 1.3762 2.1981 2.1981 2.2577 2.2577 2.7015 2.7015 2.7528 2.7528 2.7949 2.7949 2.8703 2.8703 3.4441 3.4441 3.5243 3.5243 5.3247 5.3247 5.6453 5.6453 5.8072 5.8072 6.0309 6.0309 10.0791 10.0791 10.0981 10.0981 10.3929 10.3929 10.4104 10.4104 11.8989 11.8989 12.0444 12.0444 12.6465 12.6465 k = 0.4216 0.4216 0.2269 ( 7748 PWs) bands (ev): -19.7081 -19.7081 -19.6970 -19.6970 -16.0348 -16.0348 -16.0332 -16.0332 -6.4440 -6.4440 -6.3723 -6.3723 -4.6017 -4.6017 -4.5169 -4.5169 -4.3618 -4.3618 -4.3336 -4.3336 -1.0114 -1.0114 -0.9340 -0.9340 0.6839 0.6839 0.7073 0.7073 0.9023 0.9023 0.9128 0.9128 1.0505 1.0505 1.0580 1.0580 1.1977 1.1977 1.2015 1.2015 1.3114 1.3114 1.3797 1.3797 2.1932 2.1932 2.2654 2.2654 2.6875 2.6875 2.7431 2.7431 2.7892 2.7892 2.8765 2.8765 3.4605 3.4605 3.5579 3.5579 5.2986 5.2986 5.6690 5.6690 5.8356 5.8356 6.0830 6.0830 10.0848 10.0848 10.1080 10.1080 10.4064 10.4064 10.4317 10.4317 11.8854 11.8854 12.0496 12.0496 12.6616 12.6616 k = 0.4118 0.4118 0.2269 ( 7742 PWs) bands (ev): -19.7110 -19.7110 -19.6971 -19.6971 -16.0326 -16.0326 -16.0308 -16.0308 -6.4473 -6.4473 -6.3673 -6.3673 -4.6067 -4.6067 -4.5116 -4.5116 -4.3630 -4.3630 -4.3290 -4.3290 -1.0315 -1.0315 -0.9338 -0.9338 0.6833 0.6833 0.7119 0.7119 0.8971 0.8971 0.9092 0.9092 1.0511 1.0511 1.0603 1.0603 1.1951 1.1951 1.1993 1.1993 1.3006 1.3006 1.3832 1.3832 2.1894 2.1894 2.2743 2.2743 2.6730 2.6730 2.7322 2.7322 2.7823 2.7823 2.8824 2.8824 3.4790 3.4790 3.5931 3.5931 5.2737 5.2737 5.6948 5.6948 5.8690 5.8690 6.1377 6.1377 10.0920 10.0920 10.1190 10.1190 10.4204 10.4204 10.4556 10.4556 11.8764 11.8764 12.0537 12.0537 12.6732 12.6732 k = 0.4020 0.4020 0.2269 ( 7746 PWs) bands (ev): -19.7143 -19.7143 -19.6973 -19.6973 -16.0301 -16.0301 -16.0281 -16.0281 -6.4505 -6.4505 -6.3624 -6.3624 -4.6116 -4.6116 -4.5062 -4.5062 -4.3642 -4.3642 -4.3241 -4.3241 -1.0538 -1.0538 -0.9338 -0.9338 0.6827 0.6827 0.7167 0.7167 0.8915 0.8915 0.9053 0.9053 1.0518 1.0518 1.0626 1.0626 1.1923 1.1923 1.1969 1.1969 1.2895 1.2895 1.3867 1.3867 2.1869 2.1869 2.2843 2.2843 2.6581 2.6581 2.7204 2.7204 2.7743 2.7743 2.8879 2.8879 3.4997 3.4997 3.6291 3.6291 5.2500 5.2500 5.7227 5.7227 5.9072 5.9072 6.1946 6.1946 10.1008 10.1008 10.1312 10.1312 10.4344 10.4344 10.4823 10.4823 11.8726 11.8726 12.0565 12.0565 12.6531 12.6531 k = 0.3922 0.3922 0.2269 ( 7744 PWs) bands (ev): -19.7178 -19.7178 -19.6974 -19.6974 -16.0273 -16.0273 -16.0252 -16.0252 -6.4534 -6.4534 -6.3575 -6.3575 -4.6163 -4.6163 -4.5009 -4.5009 -4.3654 -4.3654 -4.3189 -4.3189 -1.0784 -1.0784 -0.9339 -0.9339 0.6821 0.6821 0.7216 0.7216 0.8855 0.8855 0.9014 0.9014 1.0524 1.0524 1.0652 1.0652 1.1896 1.1896 1.1942 1.1942 1.2784 1.2784 1.3900 1.3900 2.1858 2.1858 2.2954 2.2954 2.6429 2.6429 2.7077 2.7077 2.7650 2.7650 2.8931 2.8931 3.5226 3.5226 3.6655 3.6655 5.2278 5.2278 5.7529 5.7529 5.9500 5.9500 6.2535 6.2535 10.1115 10.1115 10.1446 10.1446 10.4478 10.4478 10.5117 10.5117 11.8743 11.8743 12.0573 12.0573 12.5869 12.5869 k = 0.3824 0.3824 0.2269 ( 7748 PWs) bands (ev): -19.7216 -19.7216 -19.6975 -19.6975 -16.0244 -16.0244 -16.0221 -16.0221 -6.4561 -6.4561 -6.3527 -6.3527 -4.6208 -4.6208 -4.4955 -4.4955 -4.3666 -4.3666 -4.3134 -4.3134 -1.1050 -1.1050 -0.9342 -0.9342 0.6815 0.6815 0.7266 0.7266 0.8792 0.8792 0.8976 0.8976 1.0532 1.0532 1.0679 1.0679 1.1868 1.1868 1.1911 1.1911 1.2676 1.2676 1.3930 1.3930 2.1861 2.1861 2.3076 2.3076 2.6274 2.6274 2.6942 2.6942 2.7547 2.7547 2.8979 2.8979 3.5478 3.5478 3.7018 3.7018 5.2072 5.2072 5.7856 5.7856 5.9971 5.9971 6.3143 6.3143 10.1243 10.1243 10.1592 10.1592 10.4602 10.4602 10.5439 10.5439 11.8818 11.8818 12.0556 12.0556 12.5010 12.5010 k = 0.3725 0.3725 0.2269 ( 7742 PWs) bands (ev): -19.7257 -19.7257 -19.6977 -19.6977 -16.0212 -16.0212 -16.0188 -16.0188 -6.4586 -6.4586 -6.3479 -6.3479 -4.6250 -4.6250 -4.4902 -4.4902 -4.3678 -4.3678 -4.3076 -4.3076 -1.1337 -1.1337 -0.9346 -0.9346 0.6808 0.6808 0.7314 0.7314 0.8725 0.8725 0.8940 0.8940 1.0540 1.0540 1.0708 1.0708 1.1838 1.1838 1.1878 1.1878 1.2574 1.2574 1.3956 1.3956 2.1877 2.1877 2.3209 2.3209 2.6116 2.6116 2.6800 2.6800 2.7432 2.7432 2.9022 2.9022 3.5751 3.5751 3.7376 3.7376 5.1885 5.1885 5.8206 5.8206 6.0482 6.0482 6.3766 6.3766 10.1395 10.1395 10.1749 10.1749 10.4710 10.4710 10.5788 10.5788 11.8950 11.8950 12.0508 12.0508 12.4061 12.4061 k = 0.3627 0.3627 0.2269 ( 7754 PWs) bands (ev): -19.7301 -19.7301 -19.6979 -19.6979 -16.0178 -16.0178 -16.0153 -16.0153 -6.4608 -6.4608 -6.3433 -6.3433 -4.6289 -4.6289 -4.4849 -4.4849 -4.3689 -4.3689 -4.3017 -4.3017 -1.1643 -1.1643 -0.9352 -0.9352 0.6802 0.6802 0.7361 0.7361 0.8656 0.8656 0.8906 0.8906 1.0548 1.0548 1.0739 1.0739 1.1803 1.1803 1.1844 1.1844 1.2481 1.2481 1.3977 1.3977 2.1905 2.1905 2.3352 2.3352 2.5956 2.5956 2.6653 2.6653 2.7306 2.7306 2.9061 2.9061 3.6048 3.6048 3.7728 3.7728 5.1717 5.1717 5.8580 5.8580 6.1031 6.1031 6.4404 6.4404 10.1573 10.1573 10.1918 10.1918 10.4799 10.4799 10.6164 10.6164 11.9134 11.9134 12.0422 12.0422 12.3090 12.3090 k = 0.3529 0.3529 0.2269 ( 7758 PWs) bands (ev): -19.7346 -19.7346 -19.6981 -19.6981 -16.0143 -16.0143 -16.0116 -16.0116 -6.4628 -6.4628 -6.3387 -6.3387 -4.6326 -4.6326 -4.4797 -4.4797 -4.3699 -4.3699 -4.2957 -4.2957 -1.1965 -1.1965 -0.9361 -0.9361 0.6796 0.6796 0.7404 0.7404 0.8586 0.8586 0.8874 0.8874 1.0555 1.0555 1.0771 1.0771 1.1760 1.1760 1.1814 1.1814 1.2400 1.2400 1.3993 1.3993 2.1944 2.1944 2.3504 2.3504 2.5795 2.5795 2.6500 2.6500 2.7171 2.7171 2.9096 2.9096 3.6366 3.6366 3.8073 3.8073 5.1571 5.1571 5.8978 5.8978 6.1614 6.1614 6.5053 6.5053 10.1779 10.1779 10.2098 10.2098 10.4863 10.4863 10.6568 10.6568 11.9354 11.9354 12.0286 12.0286 12.2160 12.2160 k = 0.3431 0.3431 0.2269 ( 7766 PWs) bands (ev): -19.7394 -19.7394 -19.6982 -19.6982 -16.0106 -16.0106 -16.0077 -16.0077 -6.4645 -6.4645 -6.3343 -6.3343 -4.6359 -4.6359 -4.4746 -4.4746 -4.3707 -4.3707 -4.2895 -4.2895 -1.2303 -1.2303 -0.9372 -0.9372 0.6790 0.6790 0.7443 0.7443 0.8515 0.8515 0.8845 0.8845 1.0562 1.0562 1.0806 1.0806 1.1707 1.1707 1.1789 1.1789 1.2331 1.2331 1.4003 1.4003 2.1991 2.1991 2.3666 2.3666 2.5633 2.5633 2.6344 2.6344 2.7026 2.7026 2.9126 2.9126 3.6707 3.6707 3.8410 3.8410 5.1447 5.1447 5.9399 5.9399 6.2227 6.2227 6.5711 6.5711 10.2013 10.2013 10.2293 10.2293 10.4901 10.4901 10.6999 10.6999 11.9555 11.9555 12.0083 12.0083 12.1369 12.1369 k = 0.3333 0.3333 0.2269 ( 7764 PWs) bands (ev): -19.7443 -19.7443 -19.6984 -19.6984 -16.0067 -16.0067 -16.0037 -16.0037 -6.4659 -6.4659 -6.3299 -6.3299 -4.6388 -4.6388 -4.4697 -4.4697 -4.3713 -4.3713 -4.2833 -4.2833 -1.2656 -1.2656 -0.9385 -0.9385 0.6786 0.6786 0.7478 0.7478 0.8443 0.8443 0.8818 0.8818 1.0568 1.0568 1.0844 1.0844 1.1646 1.1646 1.1769 1.1769 1.2276 1.2276 1.4006 1.4006 2.2044 2.2044 2.3836 2.3836 2.5470 2.5470 2.6185 2.6185 2.6873 2.6873 2.9151 2.9151 3.7070 3.7070 3.8740 3.8740 5.1346 5.1346 5.9842 5.9842 6.2867 6.2867 6.6375 6.6375 10.2270 10.2270 10.2509 10.2509 10.4907 10.4907 10.7458 10.7458 11.9413 11.9413 11.9959 11.9959 12.0909 12.0909 k = 0.3235 0.3235 0.2269 ( 7762 PWs) bands (ev): -19.7494 -19.7494 -19.6986 -19.6986 -16.0026 -16.0026 -15.9995 -15.9995 -6.4671 -6.4671 -6.3258 -6.3258 -4.6412 -4.6412 -4.4650 -4.4650 -4.3716 -4.3716 -4.2772 -4.2772 -1.3020 -1.3020 -0.9401 -0.9401 0.6781 0.6781 0.7507 0.7507 0.8372 0.8372 0.8794 0.8794 1.0573 1.0573 1.0884 1.0884 1.1582 1.1582 1.1751 1.1751 1.2234 1.2234 1.4003 1.4003 2.2102 2.2102 2.4013 2.4013 2.5308 2.5308 2.6024 2.6024 2.6711 2.6711 2.9171 2.9171 3.7454 3.7454 3.9066 3.9066 5.1272 5.1272 6.0308 6.0308 6.3529 6.3529 6.7042 6.7042 10.2534 10.2534 10.2763 10.2763 10.4882 10.4882 10.7944 10.7944 11.8818 11.8818 11.9897 11.9897 12.0917 12.0917 k = 0.3137 0.3137 0.2269 ( 7768 PWs) bands (ev): -19.7547 -19.7547 -19.6989 -19.6989 -15.9985 -15.9985 -15.9952 -15.9952 -6.4679 -6.4679 -6.3218 -6.3218 -4.6433 -4.6433 -4.4606 -4.4606 -4.3715 -4.3715 -4.2710 -4.2710 -1.3394 -1.3394 -0.9420 -0.9420 0.6777 0.6777 0.7530 0.7530 0.8301 0.8301 0.8771 0.8771 1.0575 1.0575 1.0927 1.0927 1.1516 1.1516 1.1736 1.1736 1.2203 1.2203 1.3993 1.3993 2.2162 2.2162 2.4194 2.4194 2.5146 2.5146 2.5863 2.5863 2.6541 2.6541 2.9186 2.9186 3.7859 3.7859 3.9389 3.9389 5.1224 5.1224 6.0794 6.0794 6.4209 6.4209 6.7707 6.7707 10.2780 10.2780 10.3078 10.3078 10.4824 10.4824 10.8458 10.8458 11.8142 11.8142 11.9714 11.9714 12.1212 12.1212 k = 0.3039 0.3039 0.2269 ( 7752 PWs) bands (ev): -19.7600 -19.7600 -19.6991 -19.6991 -15.9943 -15.9943 -15.9908 -15.9908 -6.4685 -6.4685 -6.3180 -6.3180 -4.6448 -4.6448 -4.4566 -4.4566 -4.3710 -4.3710 -4.2650 -4.2650 -1.3777 -1.3777 -0.9442 -0.9442 0.6775 0.6775 0.7549 0.7549 0.8231 0.8231 0.8750 0.8750 1.0574 1.0574 1.0974 1.0974 1.1453 1.1453 1.1725 1.1725 1.2183 1.2183 1.3976 1.3976 2.2223 2.2223 2.4377 2.4377 2.4986 2.4986 2.5705 2.5705 2.6365 2.6365 2.9196 2.9196 3.8281 3.8281 3.9713 3.9713 5.1204 5.1204 6.1301 6.1301 6.4903 6.4903 6.8367 6.8367 10.3008 10.3008 10.3454 10.3454 10.4732 10.4732 10.8998 10.8998 11.7506 11.7506 11.9480 11.9480 12.1602 12.1602 k = 0.2941 0.2941 0.2269 ( 7756 PWs) bands (ev): -19.7655 -19.7655 -19.6993 -19.6993 -15.9899 -15.9899 -15.9863 -15.9863 -6.4688 -6.4688 -6.3143 -6.3143 -4.6459 -4.6459 -4.4530 -4.4530 -4.3699 -4.3699 -4.2592 -4.2592 -1.4166 -1.4166 -0.9467 -0.9467 0.6773 0.6773 0.7562 0.7562 0.8163 0.8163 0.8729 0.8729 1.0568 1.0568 1.1022 1.1022 1.1392 1.1392 1.1716 1.1716 1.2171 1.2171 1.3951 1.3951 2.2282 2.2282 2.4553 2.4553 2.4830 2.4830 2.5553 2.5553 2.6182 2.6182 2.9202 2.9202 3.8717 3.8717 4.0045 4.0045 5.1213 5.1213 6.1827 6.1827 6.5606 6.5606 6.9017 6.9017 10.3226 10.3226 10.3880 10.3880 10.4611 10.4611 10.9565 10.9565 11.6950 11.6950 11.9222 11.9222 12.2014 12.2014 k = 0.2843 0.2843 0.2269 ( 7752 PWs) bands (ev): -19.7711 -19.7711 -19.6995 -19.6995 -15.9856 -15.9856 -15.9817 -15.9817 -6.4688 -6.4688 -6.3109 -6.3109 -4.6464 -4.6464 -4.4499 -4.4499 -4.3684 -4.3684 -4.2535 -4.2535 -1.4558 -1.4558 -0.9495 -0.9495 0.6771 0.6771 0.7570 0.7570 0.8096 0.8096 0.8707 0.8707 1.0558 1.0558 1.1073 1.1073 1.1338 1.1338 1.1709 1.1709 1.2168 1.2168 1.3920 1.3920 2.2340 2.2340 2.4637 2.4637 2.4753 2.4753 2.5420 2.5420 2.5995 2.5995 2.9203 2.9203 3.9159 3.9159 4.0393 4.0393 5.1252 5.1252 6.2371 6.2371 6.6316 6.6316 6.9652 6.9652 10.3435 10.3435 10.4332 10.4332 10.4482 10.4482 11.0158 11.0158 11.6490 11.6490 11.8950 11.8950 12.2409 12.2409 k = 0.2745 0.2745 0.2269 ( 7768 PWs) bands (ev): -19.7767 -19.7767 -19.6998 -19.6998 -15.9811 -15.9811 -15.9771 -15.9771 -6.4685 -6.4685 -6.3077 -6.3077 -4.6465 -4.6465 -4.4474 -4.4474 -4.3662 -4.3662 -4.2481 -4.2481 -1.4953 -1.4953 -0.9526 -0.9526 0.6771 0.6771 0.7573 0.7573 0.8031 0.8031 0.8685 0.8685 1.0542 1.0542 1.1125 1.1125 1.1291 1.1291 1.1704 1.1704 1.2173 1.2173 1.3882 1.3882 2.2393 2.2393 2.4499 2.4499 2.4843 2.4843 2.5345 2.5345 2.5803 2.5803 2.9199 2.9199 3.9597 3.9597 4.0767 4.0767 5.1323 5.1323 6.2933 6.2933 6.7028 6.7028 7.0267 7.0267 10.3631 10.3631 10.4288 10.4288 10.4868 10.4868 11.0776 11.0776 11.6130 11.6130 11.8673 11.8673 12.2714 12.2714 k = 0.2647 0.2647 0.2269 ( 7772 PWs) bands (ev): -19.7823 -19.7823 -19.7000 -19.7000 -15.9767 -15.9767 -15.9724 -15.9724 -6.4679 -6.4679 -6.3047 -6.3047 -4.6459 -4.6459 -4.4454 -4.4454 -4.3635 -4.3635 -4.2431 -4.2431 -1.5348 -1.5348 -0.9559 -0.9559 0.6770 0.6770 0.7573 0.7573 0.7967 0.7967 0.8660 0.8660 1.0521 1.0521 1.1179 1.1179 1.1251 1.1251 1.1701 1.1701 1.2186 1.2186 1.3839 1.3839 2.2442 2.2442 2.4347 2.4347 2.4829 2.4829 2.5390 2.5390 2.5611 2.5611 2.9191 2.9191 4.0019 4.0019 4.1182 4.1182 5.1427 5.1427 6.3511 6.3511 6.7741 6.7741 7.0856 7.0856 10.3803 10.3803 10.4119 10.4119 10.5405 10.5405 11.1418 11.1418 11.5869 11.5869 11.8397 11.8397 12.1149 12.1149 k = 0.2549 0.2549 0.2269 ( 7772 PWs) bands (ev): -19.7880 -19.7880 -19.7003 -19.7003 -15.9722 -15.9722 -15.9676 -15.9676 -6.4671 -6.4671 -6.3019 -6.3019 -4.6448 -4.6448 -4.4439 -4.4439 -4.3602 -4.3602 -4.2383 -4.2383 -1.5741 -1.5741 -0.9595 -0.9595 0.6771 0.6771 0.7571 0.7571 0.7905 0.7905 0.8634 0.8634 1.0494 1.0494 1.1218 1.1218 1.1232 1.1232 1.1700 1.1700 1.2206 1.2206 1.3790 1.3790 2.2485 2.2485 2.4196 2.4196 2.4720 2.4720 2.5402 2.5402 2.5545 2.5545 2.9179 2.9179 4.0411 4.0411 4.1651 4.1651 5.1563 5.1563 6.4104 6.4104 6.8451 6.8451 7.1414 7.1414 10.3882 10.3882 10.4011 10.4011 10.5969 10.5969 11.2080 11.2080 11.5702 11.5702 11.8125 11.8125 11.9403 11.9403 k = 0.2451 0.2451 0.2269 ( 7780 PWs) bands (ev): -19.7937 -19.7937 -19.7005 -19.7005 -15.9677 -15.9677 -15.9629 -15.9629 -6.4659 -6.4659 -6.2994 -6.2994 -4.6431 -4.6431 -4.4429 -4.4429 -4.3565 -4.3565 -4.2340 -4.2340 -1.6131 -1.6131 -0.9633 -0.9633 0.6772 0.6772 0.7565 0.7565 0.7845 0.7845 0.8607 0.8607 1.0464 1.0464 1.1192 1.1192 1.1284 1.1284 1.1701 1.1701 1.2234 1.2234 1.3737 1.3737 2.2521 2.2521 2.4048 2.4048 2.4575 2.4575 2.5213 2.5213 2.5718 2.5718 2.9163 2.9163 4.0770 4.0770 4.2177 4.2177 5.1734 5.1734 6.4710 6.4710 6.9157 6.9157 7.1935 7.1935 10.3748 10.3748 10.4080 10.4080 10.6549 10.6549 11.2759 11.2759 11.5618 11.5618 11.7645 11.7645 11.7948 11.7948 k = 0.2353 0.2353 0.2269 ( 7782 PWs) bands (ev): -19.7993 -19.7993 -19.7007 -19.7007 -15.9633 -15.9633 -15.9581 -15.9581 -6.4645 -6.4645 -6.2971 -6.2971 -4.6408 -4.6408 -4.4422 -4.4422 -4.3524 -4.3524 -4.2301 -4.2301 -1.6516 -1.6516 -0.9673 -0.9673 0.6773 0.6773 0.7558 0.7558 0.7786 0.7786 0.8578 0.8578 1.0431 1.0431 1.1172 1.1172 1.1333 1.1333 1.1703 1.1703 1.2268 1.2268 1.3680 1.3680 2.2551 2.2551 2.3902 2.3902 2.4415 2.4415 2.5021 2.5021 2.5905 2.5905 2.9144 2.9144 4.1098 4.1098 4.2758 4.2758 5.1939 5.1939 6.5328 6.5328 6.9857 6.9857 7.2414 7.2414 10.3597 10.3597 10.4108 10.4108 10.7132 10.7132 11.3443 11.3443 11.5603 11.5603 11.6114 11.6114 11.7678 11.7678 k = 0.2255 0.2255 0.2269 ( 7770 PWs) bands (ev): -19.8049 -19.8049 -19.7010 -19.7010 -15.9589 -15.9589 -15.9534 -15.9534 -6.4627 -6.4627 -6.2951 -6.2951 -4.6380 -4.6380 -4.4419 -4.4419 -4.3481 -4.3481 -4.2266 -4.2266 -1.6893 -1.6893 -0.9715 -0.9715 0.6775 0.6775 0.7549 0.7549 0.7729 0.7729 0.8548 0.8548 1.0397 1.0397 1.1156 1.1156 1.1380 1.1380 1.1707 1.1707 1.2309 1.2309 1.3621 1.3621 2.2573 2.2573 2.3760 2.3760 2.4248 2.4248 2.4834 2.4834 2.6094 2.6094 2.9122 2.9122 4.1402 4.1402 4.3387 4.3387 5.2179 5.2179 6.5956 6.5956 7.0551 7.0551 7.2848 7.2848 10.3445 10.3445 10.4049 10.4049 10.7704 10.7704 11.4105 11.4105 11.4680 11.4680 11.5658 11.5658 11.7494 11.7494 k = 0.2157 0.2157 0.2269 ( 7772 PWs) bands (ev): -19.8105 -19.8105 -19.7012 -19.7012 -15.9546 -15.9546 -15.9487 -15.9487 -6.4608 -6.4608 -6.2934 -6.2934 -4.6346 -4.6346 -4.4418 -4.4418 -4.3435 -4.3435 -4.2237 -4.2237 -1.7263 -1.7263 -0.9759 -0.9759 0.6777 0.6777 0.7539 0.7539 0.7673 0.7673 0.8516 0.8516 1.0363 1.0363 1.1143 1.1143 1.1422 1.1422 1.1712 1.1712 1.2355 1.2355 1.3561 1.3561 2.2588 2.2588 2.3622 2.3622 2.4074 2.4074 2.4656 2.4656 2.6281 2.6281 2.9096 2.9096 4.1686 4.1686 4.4058 4.4058 5.2453 5.2453 6.6591 6.6591 7.1235 7.1235 7.3236 7.3236 10.3229 10.3229 10.3915 10.3915 10.8249 10.8249 11.3455 11.3455 11.4676 11.4676 11.5773 11.5773 11.6993 11.6993 k = 0.2059 0.2059 0.2269 ( 7770 PWs) bands (ev): -19.8159 -19.8159 -19.7015 -19.7015 -15.9504 -15.9504 -15.9441 -15.9441 -6.4585 -6.4585 -6.2919 -6.2919 -4.6306 -4.6306 -4.4419 -4.4419 -4.3389 -4.3389 -4.2213 -4.2213 -1.7623 -1.7623 -0.9804 -0.9804 0.6779 0.6779 0.7527 0.7527 0.7619 0.7619 0.8484 0.8484 1.0330 1.0330 1.1132 1.1132 1.1461 1.1461 1.1717 1.1717 1.2405 1.2405 1.3500 1.3500 2.2596 2.2596 2.3488 2.3488 2.3895 2.3895 2.4488 2.4488 2.6464 2.6464 2.9069 2.9069 4.1954 4.1954 4.4766 4.4766 5.2761 5.2761 6.7232 6.7232 7.1907 7.1907 7.3580 7.3580 10.2798 10.2798 10.3803 10.3803 10.8750 10.8750 11.2501 11.2501 11.4928 11.4928 11.6001 11.6001 11.6022 11.6022 k = 0.1961 0.1961 0.2269 ( 7778 PWs) bands (ev): -19.8212 -19.8212 -19.7017 -19.7017 -15.9462 -15.9462 -15.9395 -15.9395 -6.4560 -6.4560 -6.2907 -6.2907 -4.6260 -4.6260 -4.4421 -4.4421 -4.3343 -4.3343 -4.2194 -4.2194 -1.7971 -1.7971 -0.9850 -0.9850 0.6780 0.6780 0.7515 0.7515 0.7566 0.7566 0.8452 0.8452 1.0299 1.0299 1.1123 1.1123 1.1495 1.1495 1.1721 1.1721 1.2456 1.2456 1.3442 1.3442 2.2595 2.2595 2.3358 2.3358 2.3713 2.3713 2.4332 2.4332 2.6641 2.6641 2.9039 2.9039 4.2208 4.2208 4.5507 4.5507 5.3103 5.3103 6.7873 6.7873 7.2557 7.2557 7.3890 7.3890 10.2046 10.2046 10.3784 10.3784 10.9188 10.9188 11.1850 11.1850 11.4525 11.4525 11.5287 11.5287 11.6222 11.6222 k = 0.1863 0.1863 0.2269 ( 7778 PWs) bands (ev): -19.8264 -19.8264 -19.7020 -19.7020 -15.9422 -15.9422 -15.9350 -15.9350 -6.4533 -6.4533 -6.2898 -6.2898 -4.6209 -4.6209 -4.4423 -4.4423 -4.3297 -4.3297 -4.2181 -4.2181 -1.8308 -1.8308 -0.9896 -0.9896 0.6782 0.6782 0.7502 0.7502 0.7514 0.7514 0.8420 0.8420 1.0272 1.0272 1.1115 1.1115 1.1524 1.1524 1.1726 1.1726 1.2505 1.2505 1.3389 1.3389 2.2584 2.2584 2.3232 2.3232 2.3531 2.3531 2.4188 2.4188 2.6810 2.6810 2.9008 2.9008 4.2448 4.2448 4.6280 4.6280 5.3479 5.3479 6.8508 6.8508 7.3164 7.3164 7.4194 7.4194 10.1005 10.1005 10.3831 10.3831 10.9548 10.9548 11.1486 11.1486 11.3578 11.3578 11.4715 11.4715 11.6240 11.6240 k = 0.1765 0.1765 0.2269 ( 7786 PWs) bands (ev): -19.8315 -19.8315 -19.7022 -19.7022 -15.9382 -15.9382 -15.9306 -15.9306 -6.4504 -6.4504 -6.2891 -6.2891 -4.6153 -4.6153 -4.4425 -4.4425 -4.3254 -4.3254 -4.2174 -4.2174 -1.8632 -1.8632 -0.9943 -0.9943 0.6783 0.6783 0.7463 0.7463 0.7489 0.7489 0.8388 0.8388 1.0247 1.0247 1.1107 1.1107 1.1548 1.1548 1.1730 1.1730 1.2550 1.2550 1.3343 1.3343 2.2562 2.2562 2.3112 2.3112 2.3351 2.3351 2.4058 2.4058 2.6971 2.6971 2.8976 2.8976 4.2674 4.2674 4.7082 4.7082 5.3886 5.3886 6.9132 6.9132 7.3669 7.3669 7.4554 7.4554 9.9747 9.9747 10.3902 10.3902 10.9820 10.9820 11.1356 11.1356 11.2516 11.2516 11.4001 11.4001 11.6176 11.6176 k = 0.1667 0.1667 0.2269 ( 7790 PWs) bands (ev): -19.8364 -19.8364 -19.7024 -19.7024 -15.9345 -15.9345 -15.9264 -15.9264 -6.4473 -6.4473 -6.2887 -6.2887 -4.6093 -4.6093 -4.4427 -4.4427 -4.3213 -4.3213 -4.2171 -4.2171 -1.8941 -1.8941 -0.9989 -0.9989 0.6785 0.6785 0.7414 0.7414 0.7475 0.7475 0.8358 0.8358 1.0228 1.0228 1.1099 1.1099 1.1566 1.1566 1.1734 1.1734 1.2587 1.2587 1.3310 1.3310 2.2525 2.2525 2.2996 2.2996 2.3180 2.3180 2.3939 2.3939 2.7123 2.7123 2.8944 2.8944 4.2887 4.2887 4.7912 4.7912 5.4324 5.4324 6.9731 6.9731 7.4018 7.4018 7.5042 7.5042 9.8342 9.8342 10.3952 10.3952 10.9987 10.9987 11.1385 11.1385 11.1453 11.1453 11.3256 11.3256 11.6102 11.6102 k = 0.1569 0.1569 0.2269 ( 7790 PWs) bands (ev): -19.8411 -19.8411 -19.7026 -19.7026 -15.9308 -15.9308 -15.9222 -15.9222 -6.4440 -6.4440 -6.2886 -6.2886 -4.6028 -4.6028 -4.4427 -4.4427 -4.3177 -4.3177 -4.2174 -4.2174 -1.9236 -1.9236 -1.0035 -1.0035 0.6785 0.6785 0.7367 0.7367 0.7461 0.7461 0.8329 0.8329 1.0212 1.0212 1.1092 1.1092 1.1579 1.1579 1.1737 1.1737 1.2612 1.2612 1.3291 1.3291 2.2467 2.2467 2.2889 2.2889 2.3024 2.3024 2.3832 2.3832 2.7266 2.7266 2.8912 2.8912 4.3086 4.3086 4.8767 4.8767 5.4790 5.4790 7.0288 7.0288 7.4253 7.4253 7.5632 7.5632 9.6846 9.6846 10.3927 10.3927 10.9907 10.9907 11.0517 11.0517 11.1545 11.1545 11.2636 11.2636 11.6016 11.6016 k = 0.1471 0.1471 0.2269 ( 7786 PWs) bands (ev): -19.8456 -19.8456 -19.7029 -19.7029 -15.9273 -15.9273 -15.9183 -15.9183 -6.4406 -6.4406 -6.2887 -6.2887 -4.5960 -4.5960 -4.4425 -4.4425 -4.3145 -4.3145 -4.2181 -4.2181 -1.9515 -1.9515 -1.0081 -1.0081 0.6786 0.6786 0.7322 0.7322 0.7446 0.7446 0.8301 0.8301 1.0203 1.0203 1.1085 1.1085 1.1583 1.1583 1.1742 1.1742 1.2623 1.2623 1.3288 1.3288 2.2382 2.2382 2.2793 2.2793 2.2888 2.2888 2.3736 2.3736 2.7398 2.7398 2.8882 2.8882 4.3271 4.3271 4.9644 4.9644 5.5283 5.5283 7.0780 7.0780 7.4456 7.4456 7.6269 7.6269 9.5298 9.5298 10.3771 10.3771 10.9050 10.9050 11.0295 11.0295 11.1699 11.1699 11.2308 11.2308 11.5905 11.5905 k = 0.1373 0.1373 0.2269 ( 7786 PWs) bands (ev): -19.8499 -19.8499 -19.7031 -19.7031 -15.9240 -15.9240 -15.9145 -15.9145 -6.4371 -6.4371 -6.2890 -6.2890 -4.5889 -4.5889 -4.4421 -4.4421 -4.3119 -4.3119 -4.2191 -4.2191 -1.9777 -1.9777 -1.0125 -1.0125 0.6785 0.6785 0.7278 0.7278 0.7432 0.7432 0.8276 0.8276 1.0198 1.0198 1.1078 1.1078 1.1578 1.1578 1.1747 1.1747 1.2622 1.2622 1.3302 1.3302 2.2267 2.2267 2.2710 2.2710 2.2776 2.2776 2.3650 2.3650 2.7519 2.7519 2.8852 2.8852 4.3442 4.3442 5.0543 5.0543 5.5800 5.5800 7.1176 7.1176 7.4687 7.4687 7.6924 7.6924 9.3725 9.3725 10.3441 10.3441 10.7962 10.7962 11.0241 11.0241 11.1763 11.1763 11.2408 11.2408 11.5761 11.5761 k = 0.1275 0.1275 0.2269 ( 7782 PWs) bands (ev): -19.8539 -19.8539 -19.7033 -19.7033 -15.9209 -15.9209 -15.9109 -15.9109 -6.4335 -6.4335 -6.2896 -6.2896 -4.5816 -4.5816 -4.4413 -4.4413 -4.3100 -4.3100 -4.2204 -4.2204 -2.0023 -2.0023 -1.0167 -1.0167 0.6784 0.6784 0.7236 0.7236 0.7418 0.7418 0.8252 0.8252 1.0198 1.0198 1.1071 1.1071 1.1565 1.1565 1.1754 1.1754 1.2612 1.2612 1.3329 1.3329 2.2132 2.2132 2.2632 2.2632 2.2691 2.2691 2.3574 2.3574 2.7630 2.7630 2.8825 2.8825 4.3598 4.3598 5.1458 5.1458 5.6338 5.6338 7.1450 7.1450 7.4988 7.4988 7.7587 7.7587 9.2148 9.2148 10.2938 10.2938 10.6857 10.6857 11.0164 11.0164 11.1929 11.1929 11.2735 11.2735 11.5583 11.5583 k = 0.1176 0.1176 0.2269 ( 7800 PWs) bands (ev): -19.8578 -19.8578 -19.7034 -19.7034 -15.9180 -15.9180 -15.9075 -15.9075 -6.4299 -6.4299 -6.2903 -6.2903 -4.5742 -4.5742 -4.4402 -4.4402 -4.3089 -4.3089 -4.2219 -4.2219 -2.0252 -2.0252 -1.0208 -1.0208 0.6782 0.6782 0.7197 0.7197 0.7404 0.7404 0.8230 0.8230 1.0202 1.0202 1.1064 1.1064 1.1541 1.1541 1.1762 1.1762 1.2595 1.2595 1.3364 1.3364 2.1986 2.1986 2.2550 2.2550 2.2630 2.2630 2.3507 2.3507 2.7728 2.7728 2.8801 2.8801 4.3740 4.3740 5.2387 5.2387 5.6895 5.6895 7.1590 7.1590 7.5374 7.5374 7.8251 7.8251 9.0580 9.0580 10.2297 10.2297 10.5758 10.5758 11.0059 11.0059 11.2298 11.2298 11.3137 11.3137 11.5379 11.5379 k = 0.1078 0.1078 0.2269 ( 7796 PWs) bands (ev): -19.8613 -19.8613 -19.7036 -19.7036 -15.9152 -15.9152 -15.9043 -15.9043 -6.4262 -6.4262 -6.2913 -6.2913 -4.5668 -4.5668 -4.4387 -4.4387 -4.3088 -4.3088 -4.2234 -4.2234 -2.0463 -2.0463 -1.0247 -1.0247 0.6780 0.6780 0.7160 0.7160 0.7390 0.7390 0.8210 0.8210 1.0213 1.0213 1.1056 1.1056 1.1510 1.1510 1.1770 1.1770 1.2577 1.2577 1.3405 1.3405 2.1840 2.1840 2.2471 2.2471 2.2583 2.2583 2.3449 2.3449 2.7815 2.7815 2.8780 2.8780 4.3867 4.3867 5.3325 5.3325 5.7468 5.7468 7.1610 7.1610 7.5836 7.5836 7.8911 7.8911 8.9033 8.9033 10.1569 10.1569 10.4675 10.4675 10.9933 10.9933 11.2841 11.2841 11.3566 11.3566 11.5172 11.5172 k = 0.0980 0.0980 0.2269 ( 7800 PWs) bands (ev): -19.8646 -19.8646 -19.7038 -19.7038 -15.9127 -15.9127 -15.9014 -15.9014 -6.4226 -6.4226 -6.2924 -6.2924 -4.5596 -4.5596 -4.4366 -4.4366 -4.3098 -4.3098 -4.2247 -4.2247 -2.0656 -2.0656 -1.0284 -1.0284 0.6777 0.6777 0.7126 0.7126 0.7377 0.7377 0.8192 0.8192 1.0228 1.0228 1.1048 1.1048 1.1471 1.1471 1.1779 1.1779 1.2560 1.2560 1.3448 1.3448 2.1698 2.1698 2.2398 2.2398 2.2542 2.2542 2.3398 2.3398 2.7891 2.7891 2.8764 2.8764 4.3981 4.3981 5.4264 5.4264 5.8052 5.8052 7.1535 7.1535 7.6350 7.6350 7.9563 7.9563 8.7517 8.7517 10.0802 10.0802 10.3616 10.3616 10.9793 10.9793 11.3485 11.3485 11.3986 11.3986 11.5028 11.5028 k = 0.0882 0.0882 0.2269 ( 7802 PWs) bands (ev): -19.8677 -19.8677 -19.7039 -19.7039 -15.9104 -15.9104 -15.8987 -15.8987 -6.4191 -6.4191 -6.2936 -6.2936 -4.5527 -4.5527 -4.4339 -4.4339 -4.3118 -4.3118 -4.2259 -4.2259 -2.0831 -2.0831 -1.0317 -1.0317 0.6774 0.6774 0.7095 0.7095 0.7365 0.7365 0.8176 0.8176 1.0249 1.0249 1.1038 1.1038 1.1426 1.1426 1.1788 1.1788 1.2545 1.2545 1.3491 1.3491 2.1563 2.1563 2.2331 2.2331 2.2505 2.2505 2.3354 2.3354 2.7954 2.7954 2.8752 2.8752 4.4082 4.4082 5.5196 5.5196 5.8645 5.8645 7.1390 7.1390 7.6891 7.6891 8.0204 8.0204 8.6044 8.6044 10.0035 10.0035 10.2589 10.2589 10.9642 10.9642 11.3935 11.3935 11.4479 11.4479 11.5125 11.5125 k = 0.0784 0.0784 0.2269 ( 7782 PWs) bands (ev): -19.8704 -19.8704 -19.7041 -19.7041 -15.9083 -15.9083 -15.8962 -15.8962 -6.4157 -6.4157 -6.2949 -6.2949 -4.5462 -4.5462 -4.4305 -4.4305 -4.3151 -4.3151 -4.2268 -4.2268 -2.0988 -2.0988 -1.0348 -1.0348 0.6770 0.6770 0.7068 0.7068 0.7353 0.7353 0.8163 0.8163 1.0274 1.0274 1.1028 1.1028 1.1379 1.1379 1.1796 1.1796 1.2533 1.2533 1.3533 1.3533 2.1439 2.1439 2.2272 2.2272 2.2471 2.2471 2.3316 2.3316 2.8005 2.8005 2.8745 2.8745 4.4170 4.4170 5.6109 5.6109 5.9242 5.9242 7.1199 7.1199 7.7434 7.7434 8.0827 8.0827 8.4625 8.4625 9.9296 9.9296 10.1602 10.1602 10.9487 10.9487 11.3896 11.3896 11.5167 11.5167 11.5610 11.5610 k = 0.0686 0.0686 0.2269 ( 7792 PWs) bands (ev): -19.8728 -19.8728 -19.7042 -19.7042 -15.9065 -15.9065 -15.8940 -15.8940 -6.4125 -6.4125 -6.2962 -6.2962 -4.5403 -4.5403 -4.4263 -4.4263 -4.3194 -4.3194 -4.2275 -4.2275 -2.1126 -2.1126 -1.0376 -1.0376 0.6765 0.6765 0.7043 0.7043 0.7343 0.7343 0.8151 0.8151 1.0303 1.0303 1.1016 1.1016 1.1329 1.1329 1.1803 1.1803 1.2523 1.2523 1.3571 1.3571 2.1326 2.1326 2.2219 2.2219 2.2440 2.2440 2.3285 2.3285 2.8046 2.8046 2.8742 2.8742 4.4245 4.4245 5.6988 5.6988 5.9840 5.9840 7.0978 7.0978 7.7961 7.7961 8.1424 8.1424 8.3276 8.3276 9.8605 9.8605 10.0666 10.0666 10.9331 10.9331 11.3700 11.3700 11.5761 11.5761 11.6420 11.6420 k = 0.0588 0.0588 0.2269 ( 7792 PWs) bands (ev): -19.8749 -19.8749 -19.7043 -19.7043 -15.9048 -15.9048 -15.8921 -15.8921 -6.4095 -6.4095 -6.2975 -6.2975 -4.5351 -4.5351 -4.4213 -4.4213 -4.3248 -4.3248 -4.2278 -4.2278 -2.1246 -2.1246 -1.0401 -1.0401 0.6761 0.6761 0.7022 0.7022 0.7334 0.7334 0.8140 0.8140 1.0335 1.0335 1.1000 1.1000 1.1281 1.1281 1.1810 1.1810 1.2516 1.2516 1.3606 1.3606 2.1227 2.1227 2.2174 2.2174 2.2413 2.2413 2.3258 2.3258 2.8077 2.8077 2.8744 2.8744 4.4309 4.4309 5.7813 5.7813 6.0435 6.0435 7.0741 7.0741 7.8455 7.8455 8.1852 8.1852 8.2147 8.2147 9.7979 9.7979 9.9793 9.9793 10.9180 10.9180 11.3478 11.3478 11.6299 11.6299 11.7365 11.7365 k = 0.0490 0.0490 0.2269 ( 7792 PWs) bands (ev): -19.8767 -19.8767 -19.7044 -19.7044 -15.9034 -15.9034 -15.8905 -15.8905 -6.4069 -6.4069 -6.2987 -6.2987 -4.5306 -4.5306 -4.4156 -4.4156 -4.3310 -4.3310 -4.2280 -4.2280 -2.1348 -2.1348 -1.0422 -1.0422 0.6756 0.6756 0.7005 0.7005 0.7326 0.7326 0.8132 0.8132 1.0370 1.0370 1.0981 1.0981 1.1237 1.1237 1.1816 1.1816 1.2511 1.2511 1.3635 1.3635 2.1141 2.1141 2.2135 2.2135 2.2390 2.2390 2.3237 2.3237 2.8099 2.8099 2.8748 2.8748 4.4362 4.4362 5.8561 5.8561 6.1017 6.1017 7.0503 7.0503 7.8900 7.8900 8.0809 8.0809 8.2551 8.2551 9.7430 9.7430 9.8998 9.8998 10.9039 10.9039 11.3267 11.3267 11.6816 11.6816 11.8340 11.8340 k = 0.0392 0.0392 0.2269 ( 7794 PWs) bands (ev): -19.8782 -19.8782 -19.7045 -19.7045 -15.9023 -15.9023 -15.8891 -15.8891 -6.4046 -6.4046 -6.2998 -6.2998 -4.5270 -4.5270 -4.4092 -4.4092 -4.3378 -4.3378 -4.2280 -4.2280 -2.1431 -2.1431 -1.0439 -1.0439 0.6751 0.6751 0.6990 0.6990 0.7319 0.7319 0.8125 0.8125 1.0407 1.0407 1.0957 1.0957 1.1201 1.1201 1.1821 1.1821 1.2506 1.2506 1.3662 1.3662 2.1070 2.1070 2.2103 2.2103 2.2370 2.2370 2.3220 2.3220 2.8115 2.8115 2.8753 2.8753 4.4405 4.4405 5.9208 5.9208 6.1573 6.1573 7.0278 7.0278 7.9281 7.9281 7.9780 7.9780 8.3020 8.3020 9.6968 9.6968 9.8300 9.8300 10.8913 10.8913 11.3083 11.3083 11.7304 11.7304 11.9295 11.9295 k = 0.0294 0.0294 0.2269 ( 7794 PWs) bands (ev): -19.8794 -19.8794 -19.7045 -19.7045 -15.9014 -15.9014 -15.8881 -15.8881 -6.4027 -6.4027 -6.3008 -6.3008 -4.5242 -4.5242 -4.4024 -4.4024 -4.3450 -4.3450 -4.2280 -4.2280 -2.1495 -2.1495 -1.0453 -1.0453 0.6748 0.6748 0.6980 0.6980 0.7313 0.7313 0.8120 0.8120 1.0442 1.0442 1.0929 1.0929 1.1174 1.1174 1.1825 1.1825 1.2504 1.2504 1.3681 1.3681 2.1014 2.1014 2.2078 2.2078 2.2355 2.2355 2.3206 2.3206 2.8125 2.8125 2.8759 2.8759 4.4437 4.4437 5.9732 5.9732 6.2075 6.2075 7.0079 7.0079 7.8897 7.8897 7.9603 7.9603 8.3421 8.3421 9.6601 9.6601 9.7719 9.7719 10.8807 10.8807 11.2934 11.2934 11.7740 11.7740 12.0174 12.0174 k = 0.0196 0.0196 0.2269 ( 7786 PWs) bands (ev): -19.8802 -19.8802 -19.7045 -19.7045 -15.9008 -15.9008 -15.8873 -15.8873 -6.4013 -6.4013 -6.3015 -6.3015 -4.5223 -4.5223 -4.3956 -4.3956 -4.3521 -4.3521 -4.2279 -4.2279 -2.1542 -2.1542 -1.0463 -1.0463 0.6745 0.6745 0.6972 0.6972 0.7310 0.7310 0.8116 0.8116 1.0474 1.0474 1.0902 1.0902 1.1156 1.1156 1.1827 1.1827 1.2503 1.2503 1.3696 1.3696 2.0974 2.0974 2.2061 2.2061 2.2344 2.2344 2.3197 2.3197 2.8132 2.8132 2.8764 2.8764 4.4460 4.4460 6.0116 6.0116 6.2484 6.2484 6.9922 6.9922 7.8230 7.8230 7.9831 7.9831 8.3729 8.3729 9.6335 9.6335 9.7281 9.7281 10.8727 10.8727 11.2826 11.2826 11.8095 11.8095 12.0900 12.0900 k = 0.0098 0.0098 0.2269 ( 7786 PWs) bands (ev): -19.8807 -19.8807 -19.7046 -19.7046 -15.9004 -15.9004 -15.8869 -15.8869 -6.4005 -6.4005 -6.3019 -6.3019 -4.5211 -4.5211 -4.3898 -4.3898 -4.3581 -4.3581 -4.2279 -4.2279 -2.1569 -2.1569 -1.0469 -1.0469 0.6743 0.6743 0.6968 0.6968 0.7307 0.7307 0.8114 0.8114 1.0496 1.0496 1.0881 1.0881 1.1146 1.1146 1.1829 1.1829 1.2502 1.2502 1.3705 1.3705 2.0950 2.0950 2.2050 2.2050 2.2337 2.2337 2.3192 2.3192 2.8135 2.8135 2.8768 2.8768 4.4474 4.4474 6.0350 6.0350 6.2756 6.2756 6.9820 6.9820 7.7806 7.7806 7.9971 7.9971 8.3924 8.3924 9.6173 9.6173 9.7007 9.7007 10.8677 10.8677 11.2759 11.2759 11.8331 11.8331 12.1384 12.1384 k = 0.0000 0.0000 0.2269 ( 7794 PWs) bands (ev): -19.8809 -19.8809 -19.7046 -19.7046 -15.9003 -15.9003 -15.8867 -15.8867 -6.4002 -6.4002 -6.3021 -6.3021 -4.5207 -4.5207 -4.3872 -4.3872 -4.3607 -4.3607 -4.2279 -4.2279 -2.1579 -2.1579 -1.0470 -1.0470 0.6742 0.6742 0.6966 0.6966 0.7306 0.7306 0.8114 0.8114 1.0505 1.0505 1.0872 1.0872 1.1142 1.1142 1.1830 1.1830 1.2501 1.2501 1.3707 1.3707 2.0942 2.0942 2.2047 2.2047 2.2335 2.2335 2.3190 2.3190 2.8136 2.8136 2.8769 2.8769 4.4478 4.4478 6.0429 6.0429 6.2852 6.2852 6.9785 6.9785 7.7661 7.7661 8.0018 8.0018 8.3991 8.3991 9.6119 9.6119 9.6913 9.6913 10.8661 10.8661 11.2737 11.2737 11.8415 11.8415 12.1554 12.1554 k = 0.0000 0.5000-0.0000 ( 7754 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5006 -4.5006 -4.5006 -4.5006 -4.3667 -4.3667 -4.3667 -4.3667 -1.2212 -1.2212 -1.2212 -1.2212 0.7648 0.7648 0.7648 0.7648 0.8339 0.8339 0.8339 0.8339 1.1018 1.1018 1.1018 1.1018 1.1361 1.1361 1.1361 1.1361 1.2357 1.2357 1.2357 1.2357 2.4033 2.4033 2.4033 2.4033 2.4841 2.4841 2.4841 2.4841 2.6462 2.6462 2.6462 2.6462 3.5961 3.5961 3.5961 3.5961 6.7468 6.7468 6.7468 6.7468 7.3999 7.3999 7.3999 7.3999 9.6729 9.6729 9.6729 9.6729 10.5088 10.5088 10.5088 10.5088 11.2464 11.2464 11.2464 11.2464 12.4560 12.4560 k = 0.0000 0.5000 0.0133 ( 7746 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5006 -4.5006 -4.5006 -4.5006 -4.3667 -4.3667 -4.3667 -4.3667 -1.2212 -1.2212 -1.2212 -1.2212 0.7648 0.7648 0.7648 0.7648 0.8340 0.8340 0.8340 0.8340 1.1018 1.1018 1.1018 1.1018 1.1361 1.1361 1.1361 1.1361 1.2358 1.2358 1.2358 1.2358 2.4033 2.4033 2.4033 2.4033 2.4840 2.4840 2.4840 2.4840 2.6459 2.6459 2.6459 2.6459 3.5961 3.5961 3.5961 3.5961 6.7475 6.7475 6.7475 6.7475 7.4000 7.4000 7.4000 7.4000 9.6731 9.6731 9.6731 9.6731 10.5096 10.5096 10.5096 10.5096 11.2465 11.2465 11.2465 11.2465 12.4347 12.4347 k = 0.0000 0.5000 0.0267 ( 7730 PWs) bands (ev): -19.7456 -19.7456 -19.7456 -19.7456 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5007 -4.5007 -4.5007 -4.5007 -4.3666 -4.3666 -4.3666 -4.3666 -1.2211 -1.2211 -1.2211 -1.2211 0.7649 0.7649 0.7649 0.7649 0.8340 0.8340 0.8340 0.8340 1.1019 1.1019 1.1019 1.1019 1.1362 1.1362 1.1362 1.1362 1.2359 1.2359 1.2359 1.2359 2.4033 2.4033 2.4033 2.4033 2.4840 2.4840 2.4840 2.4840 2.6451 2.6451 2.6451 2.6451 3.5961 3.5961 3.5961 3.5961 6.7494 6.7494 6.7494 6.7494 7.4004 7.4004 7.4004 7.4004 9.6737 9.6737 9.6737 9.6737 10.5119 10.5119 10.5119 10.5119 11.2471 11.2471 11.2471 11.2471 12.3812 12.3812 k = 0.0000 0.5000 0.0400 ( 7736 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5007 -4.5007 -4.5007 -4.5007 -4.3666 -4.3666 -4.3666 -4.3666 -1.2210 -1.2210 -1.2210 -1.2210 0.7649 0.7649 0.7649 0.7649 0.8340 0.8340 0.8340 0.8340 1.1019 1.1019 1.1019 1.1019 1.1361 1.1361 1.1361 1.1361 1.2359 1.2359 1.2359 1.2359 2.4033 2.4033 2.4033 2.4033 2.4840 2.4840 2.4840 2.4840 2.6438 2.6438 2.6438 2.6438 3.5963 3.5963 3.5963 3.5963 6.7525 6.7525 6.7525 6.7525 7.4011 7.4011 7.4011 7.4011 9.6746 9.6746 9.6746 9.6746 10.5156 10.5156 10.5156 10.5156 11.2480 11.2480 11.2480 11.2480 12.3114 12.3114 k = 0.0000 0.5000 0.0534 ( 7750 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5008 -4.5008 -4.5008 -4.5008 -4.3665 -4.3665 -4.3665 -4.3665 -1.2208 -1.2208 -1.2208 -1.2208 0.7649 0.7649 0.7649 0.7649 0.8340 0.8340 0.8340 0.8340 1.1019 1.1019 1.1019 1.1019 1.1361 1.1361 1.1361 1.1361 1.2360 1.2360 1.2360 1.2360 2.4034 2.4034 2.4034 2.4034 2.4839 2.4839 2.4839 2.4839 2.6421 2.6421 2.6421 2.6421 3.5964 3.5964 3.5964 3.5964 6.7568 6.7568 6.7568 6.7568 7.4020 7.4020 7.4020 7.4020 9.6759 9.6759 9.6759 9.6759 10.5204 10.5204 10.5204 10.5204 11.2493 11.2493 11.2493 11.2493 12.2354 12.2354 k = 0.0000 0.5000 0.0667 ( 7754 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5009 -4.5009 -4.5009 -4.5009 -4.3663 -4.3663 -4.3663 -4.3663 -1.2207 -1.2207 -1.2207 -1.2207 0.7649 0.7649 0.7649 0.7649 0.8340 0.8340 0.8340 0.8340 1.1020 1.1020 1.1020 1.1020 1.1361 1.1361 1.1361 1.1361 1.2362 1.2362 1.2362 1.2362 2.4034 2.4034 2.4034 2.4034 2.4838 2.4838 2.4838 2.4838 2.6400 2.6400 2.6400 2.6400 3.5966 3.5966 3.5966 3.5966 6.7620 6.7620 6.7620 6.7620 7.4032 7.4032 7.4032 7.4032 9.6778 9.6778 9.6778 9.6778 10.5260 10.5260 10.5260 10.5260 11.2509 11.2509 11.2509 11.2509 12.1584 12.1584 k = 0.0000 0.5000 0.0801 ( 7742 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5011 -4.5011 -4.5011 -4.5011 -4.3662 -4.3662 -4.3662 -4.3662 -1.2204 -1.2204 -1.2204 -1.2204 0.7649 0.7649 0.7649 0.7649 0.8341 0.8341 0.8341 0.8341 1.1021 1.1021 1.1021 1.1021 1.1361 1.1361 1.1361 1.1361 1.2364 1.2364 1.2364 1.2364 2.4035 2.4035 2.4035 2.4035 2.4837 2.4837 2.4837 2.4837 2.6375 2.6375 2.6375 2.6375 3.5968 3.5968 3.5968 3.5968 6.7680 6.7680 6.7680 6.7680 7.4045 7.4045 7.4045 7.4045 9.6801 9.6801 9.6801 9.6801 10.5321 10.5321 10.5321 10.5321 11.2527 11.2527 11.2527 11.2527 12.0833 12.0833 k = 0.0000 0.5000 0.0934 ( 7754 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5012 -4.5012 -4.5012 -4.5012 -4.3661 -4.3661 -4.3661 -4.3661 -1.2202 -1.2202 -1.2202 -1.2202 0.7649 0.7649 0.7649 0.7649 0.8341 0.8341 0.8341 0.8341 1.1022 1.1022 1.1022 1.1022 1.1361 1.1361 1.1361 1.1361 1.2366 1.2366 1.2366 1.2366 2.4035 2.4035 2.4035 2.4035 2.4836 2.4836 2.4836 2.4836 2.6348 2.6348 2.6348 2.6348 3.5970 3.5970 3.5970 3.5970 6.7746 6.7746 6.7746 6.7746 7.4060 7.4060 7.4060 7.4060 9.6830 9.6830 9.6830 9.6830 10.5382 10.5382 10.5382 10.5382 11.2547 11.2547 11.2547 11.2547 12.0119 12.0119 k = 0.0000 0.5000 0.1068 ( 7760 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5014 -4.5014 -4.5014 -4.5014 -4.3659 -4.3659 -4.3659 -4.3659 -1.2200 -1.2200 -1.2200 -1.2200 0.7650 0.7650 0.7650 0.7650 0.8341 0.8341 0.8341 0.8341 1.1023 1.1023 1.1023 1.1023 1.1361 1.1361 1.1361 1.1361 1.2368 1.2368 1.2368 1.2368 2.4036 2.4036 2.4036 2.4036 2.4835 2.4835 2.4835 2.4835 2.6320 2.6320 2.6320 2.6320 3.5972 3.5972 3.5972 3.5972 6.7816 6.7816 6.7816 6.7816 7.4075 7.4075 7.4075 7.4075 9.6863 9.6863 9.6863 9.6863 10.5440 10.5440 10.5440 10.5440 11.2569 11.2569 11.2569 11.2569 11.9454 11.9454 k = 0.0000 0.5000 0.1201 ( 7768 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5015 -4.5015 -4.5015 -4.5015 -4.3657 -4.3657 -4.3657 -4.3657 -1.2197 -1.2197 -1.2197 -1.2197 0.7650 0.7650 0.7650 0.7650 0.8342 0.8342 0.8342 0.8342 1.1023 1.1023 1.1023 1.1023 1.1361 1.1361 1.1361 1.1361 1.2370 1.2370 1.2370 1.2370 2.4036 2.4036 2.4036 2.4036 2.4834 2.4834 2.4834 2.4834 2.6291 2.6291 2.6291 2.6291 3.5975 3.5975 3.5975 3.5975 6.7887 6.7887 6.7887 6.7887 7.4092 7.4092 7.4092 7.4092 9.6901 9.6901 9.6901 9.6901 10.5491 10.5491 10.5491 10.5491 11.2592 11.2592 11.2592 11.2592 11.8848 11.8848 k = 0.0000 0.5000 0.1335 ( 7770 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5017 -4.5017 -4.5017 -4.5017 -4.3656 -4.3656 -4.3656 -4.3656 -1.2195 -1.2195 -1.2195 -1.2195 0.7650 0.7650 0.7650 0.7650 0.8342 0.8342 0.8342 0.8342 1.1024 1.1024 1.1024 1.1024 1.1361 1.1361 1.1361 1.1361 1.2372 1.2372 1.2372 1.2372 2.4037 2.4037 2.4037 2.4037 2.4833 2.4833 2.4833 2.4833 2.6263 2.6263 2.6263 2.6263 3.5977 3.5977 3.5977 3.5977 6.7956 6.7956 6.7956 6.7956 7.4108 7.4108 7.4108 7.4108 9.6942 9.6942 9.6942 9.6942 10.5533 10.5533 10.5533 10.5533 11.2614 11.2614 11.2614 11.2614 11.8308 11.8308 k = 0.0000 0.5000 0.1468 ( 7760 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5018 -4.5018 -4.5018 -4.5018 -4.3654 -4.3654 -4.3654 -4.3654 -1.2193 -1.2193 -1.2193 -1.2193 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1025 1.1025 1.1025 1.1025 1.1361 1.1361 1.1361 1.1361 1.2374 1.2374 1.2374 1.2374 2.4038 2.4038 2.4038 2.4038 2.4832 2.4832 2.4832 2.4832 2.6236 2.6236 2.6236 2.6236 3.5979 3.5979 3.5979 3.5979 6.8022 6.8022 6.8022 6.8022 7.4123 7.4123 7.4123 7.4123 9.6985 9.6985 9.6985 9.6985 10.5564 10.5564 10.5564 10.5564 11.2636 11.2636 11.2636 11.2636 11.7839 11.7839 k = 0.0000 0.5000 0.1602 ( 7756 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5019 -4.5019 -4.5019 -4.5019 -4.3653 -4.3653 -4.3653 -4.3653 -1.2191 -1.2191 -1.2191 -1.2191 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1026 1.1026 1.1026 1.1026 1.1361 1.1361 1.1361 1.1361 1.2376 1.2376 1.2376 1.2376 2.4038 2.4038 2.4038 2.4038 2.4831 2.4831 2.4831 2.4831 2.6212 2.6212 2.6212 2.6212 3.5981 3.5981 3.5981 3.5981 6.8082 6.8082 6.8082 6.8082 7.4138 7.4138 7.4138 7.4138 9.7028 9.7028 9.7028 9.7028 10.5584 10.5584 10.5584 10.5584 11.2656 11.2656 11.2656 11.2656 11.7443 11.7443 k = 0.0000 0.5000 0.1735 ( 7766 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5020 -4.5020 -4.5020 -4.5020 -4.3652 -4.3652 -4.3652 -4.3652 -1.2189 -1.2189 -1.2189 -1.2189 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1027 1.1027 1.1027 1.1027 1.1361 1.1361 1.1361 1.1361 1.2378 1.2378 1.2378 1.2378 2.4039 2.4039 2.4039 2.4039 2.4831 2.4831 2.4831 2.4831 2.6191 2.6191 2.6191 2.6191 3.5982 3.5982 3.5982 3.5982 6.8135 6.8135 6.8135 6.8135 7.4150 7.4150 7.4150 7.4150 9.7068 9.7068 9.7068 9.7068 10.5595 10.5595 10.5595 10.5595 11.2674 11.2674 11.2674 11.2674 11.7121 11.7121 k = 0.0000 0.5000 0.1869 ( 7774 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5021 -4.5021 -4.5021 -4.5021 -4.3651 -4.3651 -4.3651 -4.3651 -1.2187 -1.2187 -1.2187 -1.2187 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1027 1.1027 1.1027 1.1027 1.1360 1.1360 1.1360 1.1360 1.2379 1.2379 1.2379 1.2379 2.4039 2.4039 2.4039 2.4039 2.4830 2.4830 2.4830 2.4830 2.6173 2.6173 2.6173 2.6173 3.5984 3.5984 3.5984 3.5984 6.8177 6.8177 6.8177 6.8177 7.4161 7.4161 7.4161 7.4161 9.7102 9.7102 9.7102 9.7102 10.5598 10.5598 10.5598 10.5598 11.2689 11.2689 11.2689 11.2689 11.6872 11.6872 k = 0.0000 0.5000 0.2002 ( 7762 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5022 -4.5022 -4.5022 -4.5022 -4.3650 -4.3650 -4.3650 -4.3650 -1.2186 -1.2186 -1.2186 -1.2186 0.7651 0.7651 0.7651 0.7651 0.8344 0.8344 0.8344 0.8344 1.1028 1.1028 1.1028 1.1028 1.1361 1.1361 1.1361 1.1361 1.2380 1.2380 1.2380 1.2380 2.4040 2.4040 2.4040 2.4040 2.4829 2.4829 2.4829 2.4829 2.6161 2.6161 2.6161 2.6161 3.5985 3.5985 3.5985 3.5985 6.8209 6.8209 6.8209 6.8209 7.4168 7.4168 7.4168 7.4168 9.7129 9.7129 9.7129 9.7129 10.5597 10.5597 10.5597 10.5597 11.2700 11.2700 11.2700 11.2700 11.6697 11.6697 k = 0.0000 0.5000 0.2136 ( 7788 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5022 -4.5022 -4.5022 -4.5022 -4.3650 -4.3650 -4.3650 -4.3650 -1.2186 -1.2186 -1.2186 -1.2186 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1028 1.1028 1.1028 1.1028 1.1360 1.1360 1.1360 1.1360 1.2381 1.2381 1.2381 1.2381 2.4040 2.4040 2.4040 2.4040 2.4829 2.4829 2.4829 2.4829 2.6153 2.6153 2.6153 2.6153 3.5985 3.5985 3.5985 3.5985 6.8228 6.8228 6.8228 6.8228 7.4173 7.4173 7.4173 7.4173 9.7146 9.7146 9.7146 9.7146 10.5596 10.5596 10.5596 10.5596 11.2706 11.2706 11.2706 11.2706 11.6592 11.6592 k = 0.0000 0.5000 0.2269 ( 7788 PWs) bands (ev): -19.7457 -19.7457 -19.7457 -19.7457 -15.9680 -15.9680 -15.9680 -15.9680 -6.3852 -6.3852 -6.3852 -6.3852 -4.5022 -4.5022 -4.5022 -4.5022 -4.3650 -4.3650 -4.3650 -4.3650 -1.2185 -1.2185 -1.2185 -1.2185 0.7651 0.7651 0.7651 0.7651 0.8343 0.8343 0.8343 0.8343 1.1028 1.1028 1.1028 1.1028 1.1360 1.1360 1.1360 1.1360 1.2381 1.2381 1.2381 1.2381 2.4040 2.4040 2.4040 2.4040 2.4829 2.4829 2.4829 2.4829 2.6150 2.6150 2.6150 2.6150 3.5986 3.5986 3.5986 3.5986 6.8235 6.8235 6.8235 6.8235 7.4175 7.4175 7.4175 7.4175 9.7152 9.7152 9.7152 9.7152 10.5595 10.5595 10.5595 10.5595 11.2709 11.2709 11.2709 11.2709 11.6558 11.6558 k = 0.5000 0.5000-0.0000 ( 7732 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5577 -4.5577 -4.5577 -4.5577 -4.3561 -4.3561 -4.3561 -4.3561 -0.9370 -0.9370 -0.9370 -0.9370 0.6871 0.6871 0.6871 0.6871 0.9229 0.9229 0.9229 0.9229 1.0487 1.0487 1.0487 1.0487 1.2100 1.2100 1.2100 1.2100 1.3379 1.3379 1.3379 1.3379 2.2801 2.2801 2.2801 2.2801 2.7751 2.7751 2.7751 2.7751 2.8331 2.8331 2.8331 2.8331 3.3741 3.3741 3.3741 3.3741 5.5115 5.5115 5.5115 5.5115 5.7646 5.7646 5.7646 5.7646 9.9015 9.9015 9.9015 9.9015 10.0658 10.0658 10.0658 10.0658 13.1203 13.1203 13.1203 13.1203 13.2622 13.2622 k = 0.5000 0.5000 0.0133 ( 7756 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5577 -4.5577 -4.5577 -4.5577 -4.3561 -4.3561 -4.3561 -4.3561 -0.9369 -0.9369 -0.9369 -0.9369 0.6871 0.6871 0.6871 0.6871 0.9229 0.9229 0.9229 0.9229 1.0486 1.0486 1.0486 1.0486 1.2100 1.2100 1.2100 1.2100 1.3381 1.3381 1.3381 1.3381 2.2797 2.2797 2.2797 2.2797 2.7751 2.7751 2.7751 2.7751 2.8330 2.8330 2.8330 2.8330 3.3742 3.3742 3.3742 3.3742 5.5115 5.5115 5.5115 5.5115 5.7646 5.7646 5.7646 5.7646 9.9037 9.9037 9.9037 9.9037 10.0665 10.0665 10.0665 10.0665 13.0984 13.0984 13.0984 13.0984 13.2314 13.2314 k = 0.5000 0.5000 0.0267 ( 7740 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5578 -4.5578 -4.5578 -4.5578 -4.3561 -4.3561 -4.3561 -4.3561 -0.9369 -0.9369 -0.9369 -0.9369 0.6871 0.6871 0.6871 0.6871 0.9230 0.9230 0.9230 0.9230 1.0486 1.0486 1.0486 1.0486 1.2099 1.2099 1.2099 1.2099 1.3387 1.3387 1.3387 1.3387 2.2785 2.2785 2.2785 2.2785 2.7750 2.7750 2.7750 2.7750 2.8328 2.8328 2.8328 2.8328 3.3747 3.3747 3.3747 3.3747 5.5113 5.5113 5.5113 5.5113 5.7648 5.7648 5.7648 5.7648 9.9104 9.9104 9.9104 9.9104 10.0686 10.0686 10.0686 10.0686 13.0473 13.0473 13.0473 13.0473 13.1777 13.1777 k = 0.5000 0.5000 0.0400 ( 7740 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5578 -4.5578 -4.5578 -4.5578 -4.3560 -4.3560 -4.3560 -4.3560 -0.9368 -0.9368 -0.9368 -0.9368 0.6871 0.6871 0.6871 0.6871 0.9232 0.9232 0.9232 0.9232 1.0486 1.0486 1.0486 1.0486 1.2099 1.2099 1.2099 1.2099 1.3396 1.3396 1.3396 1.3396 2.2765 2.2765 2.2765 2.2765 2.7750 2.7750 2.7750 2.7750 2.8323 2.8323 2.8323 2.8323 3.3754 3.3754 3.3754 3.3754 5.5111 5.5111 5.5111 5.5111 5.7650 5.7650 5.7650 5.7650 9.9213 9.9213 9.9213 9.9213 10.0723 10.0723 10.0723 10.0723 12.9830 12.9830 12.9830 12.9830 13.1119 13.1119 k = 0.5000 0.5000 0.0534 ( 7740 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5579 -4.5579 -4.5579 -4.5579 -4.3559 -4.3559 -4.3559 -4.3559 -0.9367 -0.9367 -0.9367 -0.9367 0.6871 0.6871 0.6871 0.6871 0.9234 0.9234 0.9234 0.9234 1.0486 1.0486 1.0486 1.0486 1.2099 1.2099 1.2099 1.2099 1.3408 1.3408 1.3408 1.3408 2.2739 2.2739 2.2739 2.2739 2.7749 2.7749 2.7749 2.7749 2.8317 2.8317 2.8317 2.8317 3.3764 3.3764 3.3764 3.3764 5.5108 5.5108 5.5108 5.5108 5.7654 5.7654 5.7654 5.7654 9.9357 9.9357 9.9357 9.9357 10.0777 10.0777 10.0777 10.0777 12.9102 12.9102 12.9102 12.9102 13.0414 13.0414 k = 0.5000 0.5000 0.0667 ( 7748 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5580 -4.5580 -4.5580 -4.5580 -4.3558 -4.3558 -4.3558 -4.3558 -0.9366 -0.9366 -0.9366 -0.9366 0.6870 0.6870 0.6870 0.6870 0.9236 0.9236 0.9236 0.9236 1.0486 1.0486 1.0486 1.0486 1.2099 1.2099 1.2099 1.2099 1.3423 1.3423 1.3423 1.3423 2.2706 2.2706 2.2706 2.2706 2.7748 2.7748 2.7748 2.7748 2.8310 2.8310 2.8310 2.8310 3.3777 3.3777 3.3777 3.3777 5.5105 5.5105 5.5105 5.5105 5.7658 5.7658 5.7658 5.7658 9.9530 9.9530 9.9530 9.9530 10.0854 10.0854 10.0854 10.0854 12.8293 12.8293 12.8293 12.8293 12.9732 12.9732 k = 0.5000 0.5000 0.0801 ( 7740 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5581 -4.5581 -4.5581 -4.5581 -4.3557 -4.3557 -4.3557 -4.3557 -0.9365 -0.9365 -0.9365 -0.9365 0.6870 0.6870 0.6870 0.6870 0.9239 0.9239 0.9239 0.9239 1.0486 1.0486 1.0486 1.0486 1.2099 1.2099 1.2099 1.2099 1.3440 1.3440 1.3440 1.3440 2.2669 2.2669 2.2669 2.2669 2.7747 2.7747 2.7747 2.7747 2.8302 2.8302 2.8302 2.8302 3.3791 3.3791 3.3791 3.3791 5.5100 5.5100 5.5100 5.5100 5.7663 5.7663 5.7663 5.7663 9.9719 9.9719 9.9719 9.9719 10.0961 10.0961 10.0961 10.0961 12.7412 12.7412 12.7412 12.7412 12.9110 12.9110 k = 0.5000 0.5000 0.0934 ( 7740 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5583 -4.5583 -4.5583 -4.5583 -4.3556 -4.3556 -4.3556 -4.3556 -0.9363 -0.9363 -0.9363 -0.9363 0.6870 0.6870 0.6870 0.6870 0.9243 0.9243 0.9243 0.9243 1.0485 1.0485 1.0485 1.0485 1.2098 1.2098 1.2098 1.2098 1.3460 1.3460 1.3460 1.3460 2.2627 2.2627 2.2627 2.2627 2.7745 2.7745 2.7745 2.7745 2.8294 2.8294 2.8294 2.8294 3.3807 3.3807 3.3807 3.3807 5.5096 5.5096 5.5096 5.5096 5.7669 5.7669 5.7669 5.7669 9.9908 9.9908 9.9908 9.9908 10.1107 10.1107 10.1107 10.1107 12.6484 12.6484 12.6484 12.6484 12.8554 12.8554 k = 0.5000 0.5000 0.1068 ( 7752 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5584 -4.5584 -4.5584 -4.5584 -4.3554 -4.3554 -4.3554 -4.3554 -0.9362 -0.9362 -0.9362 -0.9362 0.6870 0.6870 0.6870 0.6870 0.9246 0.9246 0.9246 0.9246 1.0485 1.0485 1.0485 1.0485 1.2098 1.2098 1.2098 1.2098 1.3480 1.3480 1.3480 1.3480 2.2584 2.2584 2.2584 2.2584 2.7744 2.7744 2.7744 2.7744 2.8284 2.8284 2.8284 2.8284 3.3823 3.3823 3.3823 3.3823 5.5091 5.5091 5.5091 5.5091 5.7675 5.7675 5.7675 5.7675 10.0081 10.0081 10.0081 10.0081 10.1303 10.1303 10.1303 10.1303 12.5539 12.5539 12.5539 12.5539 12.8059 12.8059 k = 0.5000 0.5000 0.1201 ( 7744 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4111 -6.4111 -6.4111 -6.4111 -4.5585 -4.5585 -4.5585 -4.5585 -4.3553 -4.3553 -4.3553 -4.3553 -0.9360 -0.9360 -0.9360 -0.9360 0.6870 0.6870 0.6870 0.6870 0.9249 0.9249 0.9249 0.9249 1.0485 1.0485 1.0485 1.0485 1.2098 1.2098 1.2098 1.2098 1.3501 1.3501 1.3501 1.3501 2.2539 2.2539 2.2539 2.2539 2.7742 2.7742 2.7742 2.7742 2.8275 2.8275 2.8275 2.8275 3.3839 3.3839 3.3839 3.3839 5.5086 5.5086 5.5086 5.5086 5.7681 5.7681 5.7681 5.7681 10.0226 10.0226 10.0226 10.0226 10.1549 10.1549 10.1549 10.1549 12.4605 12.4605 12.4605 12.4605 12.7619 12.7619 k = 0.5000 0.5000 0.1335 ( 7756 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5587 -4.5587 -4.5587 -4.5587 -4.3551 -4.3551 -4.3551 -4.3551 -0.9359 -0.9359 -0.9359 -0.9359 0.6869 0.6869 0.6869 0.6869 0.9253 0.9253 0.9253 0.9253 1.0484 1.0484 1.0484 1.0484 1.2097 1.2097 1.2097 1.2097 1.3521 1.3521 1.3521 1.3521 2.2495 2.2495 2.2495 2.2495 2.7741 2.7741 2.7741 2.7741 2.8267 2.8267 2.8267 2.8267 3.3855 3.3855 3.3855 3.3855 5.5081 5.5081 5.5081 5.5081 5.7687 5.7687 5.7687 5.7687 10.0341 10.0341 10.0341 10.0341 10.1837 10.1837 10.1837 10.1837 12.3705 12.3705 12.3705 12.3705 12.7231 12.7231 k = 0.5000 0.5000 0.1468 ( 7764 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5588 -4.5588 -4.5588 -4.5588 -4.3550 -4.3550 -4.3550 -4.3550 -0.9358 -0.9358 -0.9358 -0.9358 0.6869 0.6869 0.6869 0.6869 0.9256 0.9256 0.9256 0.9256 1.0484 1.0484 1.0484 1.0484 1.2096 1.2096 1.2096 1.2096 1.3541 1.3541 1.3541 1.3541 2.2453 2.2453 2.2453 2.2453 2.7739 2.7739 2.7739 2.7739 2.8258 2.8258 2.8258 2.8258 3.3871 3.3871 3.3871 3.3871 5.5076 5.5076 5.5076 5.5076 5.7692 5.7692 5.7692 5.7692 10.0431 10.0431 10.0431 10.0431 10.2150 10.2150 10.2150 10.2150 12.2861 12.2861 12.2861 12.2861 12.6894 12.6894 k = 0.5000 0.5000 0.1602 ( 7764 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5589 -4.5589 -4.5589 -4.5589 -4.3548 -4.3548 -4.3548 -4.3548 -0.9356 -0.9356 -0.9356 -0.9356 0.6869 0.6869 0.6869 0.6869 0.9259 0.9259 0.9259 0.9259 1.0483 1.0483 1.0483 1.0483 1.2096 1.2096 1.2096 1.2096 1.3560 1.3560 1.3560 1.3560 2.2414 2.2414 2.2414 2.2414 2.7738 2.7738 2.7738 2.7738 2.8251 2.8251 2.8251 2.8251 3.3884 3.3884 3.3884 3.3884 5.5072 5.5072 5.5072 5.5072 5.7697 5.7697 5.7697 5.7697 10.0501 10.0501 10.0501 10.0501 10.2467 10.2467 10.2467 10.2467 12.2094 12.2094 12.2094 12.2094 12.6607 12.6607 k = 0.5000 0.5000 0.1735 ( 7744 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5590 -4.5590 -4.5590 -4.5590 -4.3547 -4.3547 -4.3547 -4.3547 -0.9355 -0.9355 -0.9355 -0.9355 0.6869 0.6869 0.6869 0.6869 0.9262 0.9262 0.9262 0.9262 1.0483 1.0483 1.0483 1.0483 1.2096 1.2096 1.2096 1.2096 1.3576 1.3576 1.3576 1.3576 2.2381 2.2381 2.2381 2.2381 2.7737 2.7737 2.7737 2.7737 2.8244 2.8244 2.8244 2.8244 3.3897 3.3897 3.3897 3.3897 5.5068 5.5068 5.5068 5.5068 5.7702 5.7702 5.7702 5.7702 10.0555 10.0555 10.0555 10.0555 10.2766 10.2766 10.2766 10.2766 12.1425 12.1425 12.1425 12.1425 12.6371 12.6371 k = 0.5000 0.5000 0.1869 ( 7744 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5591 -4.5591 -4.5591 -4.5591 -4.3546 -4.3546 -4.3546 -4.3546 -0.9354 -0.9354 -0.9354 -0.9354 0.6869 0.6869 0.6869 0.6869 0.9264 0.9264 0.9264 0.9264 1.0483 1.0483 1.0483 1.0483 1.2096 1.2096 1.2096 1.2096 1.3590 1.3590 1.3590 1.3590 2.2353 2.2353 2.2353 2.2353 2.7736 2.7736 2.7736 2.7736 2.8239 2.8239 2.8239 2.8239 3.3906 3.3906 3.3906 3.3906 5.5065 5.5065 5.5065 5.5065 5.7705 5.7705 5.7705 5.7705 10.0595 10.0595 10.0595 10.0595 10.3028 10.3028 10.3028 10.3028 12.0876 12.0876 12.0876 12.0876 12.6187 12.6187 k = 0.5000 0.5000 0.2002 ( 7752 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5592 -4.5592 -4.5592 -4.5592 -4.3546 -4.3546 -4.3546 -4.3546 -0.9353 -0.9353 -0.9353 -0.9353 0.6869 0.6869 0.6869 0.6869 0.9265 0.9265 0.9265 0.9265 1.0483 1.0483 1.0483 1.0483 1.2096 1.2096 1.2096 1.2096 1.3599 1.3599 1.3599 1.3599 2.2333 2.2333 2.2333 2.2333 2.7735 2.7735 2.7735 2.7735 2.8235 2.8235 2.8235 2.8235 3.3913 3.3913 3.3913 3.3913 5.5062 5.5062 5.5062 5.5062 5.7708 5.7708 5.7708 5.7708 10.0623 10.0623 10.0623 10.0623 10.3232 10.3232 10.3232 10.3232 12.0465 12.0465 12.0465 12.0465 12.6055 12.6055 k = 0.5000 0.5000 0.2136 ( 7760 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5592 -4.5592 -4.5592 -4.5592 -4.3545 -4.3545 -4.3545 -4.3545 -0.9353 -0.9353 -0.9353 -0.9353 0.6869 0.6869 0.6869 0.6869 0.9266 0.9266 0.9266 0.9266 1.0483 1.0483 1.0483 1.0483 1.2095 1.2095 1.2095 1.2095 1.3605 1.3605 1.3605 1.3605 2.2320 2.2320 2.2320 2.2320 2.7734 2.7734 2.7734 2.7734 2.8233 2.8233 2.8233 2.8233 3.3918 3.3918 3.3918 3.3918 5.5061 5.5061 5.5061 5.5061 5.7710 5.7710 5.7710 5.7710 10.0640 10.0640 10.0640 10.0640 10.3362 10.3362 10.3362 10.3362 12.0211 12.0211 12.0211 12.0211 12.5976 12.5976 k = 0.5000 0.5000 0.2269 ( 7776 PWs) bands (ev): -19.6966 -19.6966 -19.6966 -19.6966 -16.0431 -16.0431 -16.0431 -16.0431 -6.4112 -6.4112 -6.4112 -6.4112 -4.5592 -4.5592 -4.5592 -4.5592 -4.3545 -4.3545 -4.3545 -4.3545 -0.9353 -0.9353 -0.9353 -0.9353 0.6869 0.6869 0.6869 0.6869 0.9265 0.9265 0.9265 0.9265 1.0483 1.0483 1.0483 1.0483 1.2095 1.2095 1.2095 1.2095 1.3607 1.3607 1.3607 1.3607 2.2316 2.2316 2.2316 2.2316 2.7734 2.7734 2.7734 2.7734 2.8232 2.8232 2.8232 2.8232 3.3919 3.3919 3.3919 3.3919 5.5060 5.5060 5.5060 5.5060 5.7710 5.7710 5.7710 5.7710 10.0645 10.0645 10.0645 10.0645 10.3407 10.3407 10.3407 10.3407 12.0125 12.0125 12.0125 12.0125 12.5949 12.5949 Writing output data file BaZnSbF.save init_run : 0.52s CPU 0.79s WALL ( 1 calls) electrons : 379.74s CPU 384.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 379.72s CPU 384.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.16s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.17s WALL ( 306 calls) cegterg : 353.19s CPU 356.72s WALL ( 379 calls) Called by sum_band: Called by *egterg: h_psi : 178.99s CPU 181.19s WALL ( 6544 calls) s_psi : 16.98s CPU 17.00s WALL ( 6544 calls) g_psi : 0.66s CPU 0.66s WALL ( 5859 calls) cdiaghg : 124.24s CPU 125.63s WALL ( 6165 calls) cegterg:over : 20.26s CPU 20.61s WALL ( 5859 calls) cegterg:upda : 17.99s CPU 18.00s WALL ( 5859 calls) cegterg:last : 8.57s CPU 8.59s WALL ( 991 calls) cdiaghg:chol : 7.53s CPU 7.57s WALL ( 6165 calls) cdiaghg:inve : 5.75s CPU 5.66s WALL ( 6165 calls) cdiaghg:para : 10.36s CPU 10.30s WALL ( 12330 calls) Called by h_psi: h_psi:vloc : 144.09s CPU 146.06s WALL ( 6544 calls) h_psi:vnl : 34.35s CPU 34.47s WALL ( 6544 calls) add_vuspsi : 18.67s CPU 18.66s WALL ( 6544 calls) General routines calbec : 15.66s CPU 15.78s WALL ( 6544 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 135.71s CPU 137.47s WALL ( 1133840 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.35s CPU 0.53s WALL ( 612 calls) Parallel routines fft_scatter : 48.89s CPU 49.89s WALL ( 1133863 calls) PWSCF : 6m53.88s CPU 7m12.62s WALL This run was terminated on: 13:59:26 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=