Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:13 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: ./NaZnSb.save/ 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 50 41 11 2716 2037 307 Max 51 42 12 2724 2060 316 Sum 1801 1489 429 97929 73681 11291 bravais-lattice index = 14 lattice parameter (alat) = 8.3904 a.u. unit-cell volume = 996.4242 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.390383 celldm(2)= 1.000000 celldm(3)= 1.686937 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.686937 ) 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 0.592790 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 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 Na 9.00 22.98980 Na( 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= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031447 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031447 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031447 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031447 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031447 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0031447 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031447 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031447 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031447 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031447 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031447 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031447 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031447 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031447 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031447 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0031447 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0031447 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031447 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031447 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031447 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031447 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031447 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031447 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0031447 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031447 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031447 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031447 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031447 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031447 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031447 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0031447 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031447 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031447 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031447 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031447 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031447 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031447 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031447 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031447 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031447 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031447 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031447 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0031447 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0031447 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031447 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0031447 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0031447 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031447 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031447 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031447 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031447 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031447 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031447 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031447 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031447 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031447 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031447 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031447 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031447 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031447 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031447 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0031447 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031447 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031447 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0031447 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0031447 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0031447 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0031447 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0031447 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031447 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0031447 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031447 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0031447 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0031447 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0031447 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031447 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0031447 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031447 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031447 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0031447 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0031447 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031447 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031447 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0031447 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0031447 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0031447 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0031447 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0031447 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0031447 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0031447 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031447 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0031447 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0031447 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031447 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0031447 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031447 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031447 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0031447 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031447 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0031447 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0031447 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0031447 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031447 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031447 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031447 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0031447 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0031447 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0031447 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031447 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031447 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0031447 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031447 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.0141141), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.0282281), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.0423422), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0564562), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.0705703), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.0846843), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.0987984), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.1129125), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.1270265), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.1411406), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.1552546), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.1693687), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.1834827), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.1975968), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.2117109), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.2258249), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.2399390), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.2540530), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.2681671), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.2822811), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.2963952), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.2963952), wk = 0.0031447 k( 150) = ( 0.0000000 0.0138889 0.2963952), wk = 0.0031447 k( 151) = ( 0.0000000 0.0277778 0.2963952), wk = 0.0031447 k( 152) = ( 0.0000000 0.0416667 0.2963952), wk = 0.0031447 k( 153) = ( 0.0000000 0.0555556 0.2963952), wk = 0.0031447 k( 154) = ( 0.0000000 0.0694444 0.2963952), wk = 0.0031447 k( 155) = ( 0.0000000 0.0833333 0.2963952), wk = 0.0031447 k( 156) = ( 0.0000000 0.0972222 0.2963952), wk = 0.0031447 k( 157) = ( 0.0000000 0.1111111 0.2963952), wk = 0.0031447 k( 158) = ( 0.0000000 0.1250000 0.2963952), wk = 0.0031447 k( 159) = ( 0.0000000 0.1388889 0.2963952), wk = 0.0031447 k( 160) = ( 0.0000000 0.1527778 0.2963952), wk = 0.0031447 k( 161) = ( 0.0000000 0.1666667 0.2963952), wk = 0.0031447 k( 162) = ( 0.0000000 0.1805556 0.2963952), wk = 0.0031447 k( 163) = ( 0.0000000 0.1944444 0.2963952), wk = 0.0031447 k( 164) = ( 0.0000000 0.2083333 0.2963952), wk = 0.0031447 k( 165) = ( 0.0000000 0.2222222 0.2963952), wk = 0.0031447 k( 166) = ( 0.0000000 0.2361111 0.2963952), wk = 0.0031447 k( 167) = ( 0.0000000 0.2500000 0.2963952), wk = 0.0031447 k( 168) = ( 0.0000000 0.2638889 0.2963952), wk = 0.0031447 k( 169) = ( 0.0000000 0.2777778 0.2963952), wk = 0.0031447 k( 170) = ( 0.0000000 0.2916667 0.2963952), wk = 0.0031447 k( 171) = ( 0.0000000 0.3055556 0.2963952), wk = 0.0031447 k( 172) = ( 0.0000000 0.3194444 0.2963952), wk = 0.0031447 k( 173) = ( 0.0000000 0.3333333 0.2963952), wk = 0.0031447 k( 174) = ( 0.0000000 0.3472222 0.2963952), wk = 0.0031447 k( 175) = ( 0.0000000 0.3611111 0.2963952), wk = 0.0031447 k( 176) = ( 0.0000000 0.3750000 0.2963952), wk = 0.0031447 k( 177) = ( 0.0000000 0.3888889 0.2963952), wk = 0.0031447 k( 178) = ( 0.0000000 0.4027778 0.2963952), wk = 0.0031447 k( 179) = ( 0.0000000 0.4166667 0.2963952), wk = 0.0031447 k( 180) = ( 0.0000000 0.4305556 0.2963952), wk = 0.0031447 k( 181) = ( 0.0000000 0.4444444 0.2963952), wk = 0.0031447 k( 182) = ( 0.0000000 0.4583333 0.2963952), wk = 0.0031447 k( 183) = ( 0.0000000 0.4722222 0.2963952), wk = 0.0031447 k( 184) = ( 0.0000000 0.4861111 0.2963952), wk = 0.0031447 k( 185) = ( 0.0000000 0.5000000 0.2963952), wk = 0.0031447 k( 186) = ( 0.0000000 0.5000000 0.2963952), wk = 0.0031447 k( 187) = ( 0.0138889 0.5000000 0.2963952), wk = 0.0031447 k( 188) = ( 0.0277778 0.5000000 0.2963952), wk = 0.0031447 k( 189) = ( 0.0416667 0.5000000 0.2963952), wk = 0.0031447 k( 190) = ( 0.0555556 0.5000000 0.2963952), wk = 0.0031447 k( 191) = ( 0.0694444 0.5000000 0.2963952), wk = 0.0031447 k( 192) = ( 0.0833333 0.5000000 0.2963952), wk = 0.0031447 k( 193) = ( 0.0972222 0.5000000 0.2963952), wk = 0.0031447 k( 194) = ( 0.1111111 0.5000000 0.2963952), wk = 0.0031447 k( 195) = ( 0.1250000 0.5000000 0.2963952), wk = 0.0031447 k( 196) = ( 0.1388889 0.5000000 0.2963952), wk = 0.0031447 k( 197) = ( 0.1527778 0.5000000 0.2963952), wk = 0.0031447 k( 198) = ( 0.1666667 0.5000000 0.2963952), wk = 0.0031447 k( 199) = ( 0.1805556 0.5000000 0.2963952), wk = 0.0031447 k( 200) = ( 0.1944444 0.5000000 0.2963952), wk = 0.0031447 k( 201) = ( 0.2083333 0.5000000 0.2963952), wk = 0.0031447 k( 202) = ( 0.2222222 0.5000000 0.2963952), wk = 0.0031447 k( 203) = ( 0.2361111 0.5000000 0.2963952), wk = 0.0031447 k( 204) = ( 0.2500000 0.5000000 0.2963952), wk = 0.0031447 k( 205) = ( 0.2638889 0.5000000 0.2963952), wk = 0.0031447 k( 206) = ( 0.2777778 0.5000000 0.2963952), wk = 0.0031447 k( 207) = ( 0.2916667 0.5000000 0.2963952), wk = 0.0031447 k( 208) = ( 0.3055556 0.5000000 0.2963952), wk = 0.0031447 k( 209) = ( 0.3194444 0.5000000 0.2963952), wk = 0.0031447 k( 210) = ( 0.3333333 0.5000000 0.2963952), wk = 0.0031447 k( 211) = ( 0.3472222 0.5000000 0.2963952), wk = 0.0031447 k( 212) = ( 0.3611111 0.5000000 0.2963952), wk = 0.0031447 k( 213) = ( 0.3750000 0.5000000 0.2963952), wk = 0.0031447 k( 214) = ( 0.3888889 0.5000000 0.2963952), wk = 0.0031447 k( 215) = ( 0.4027778 0.5000000 0.2963952), wk = 0.0031447 k( 216) = ( 0.4166667 0.5000000 0.2963952), wk = 0.0031447 k( 217) = ( 0.4305556 0.5000000 0.2963952), wk = 0.0031447 k( 218) = ( 0.4444444 0.5000000 0.2963952), wk = 0.0031447 k( 219) = ( 0.4583333 0.5000000 0.2963952), wk = 0.0031447 k( 220) = ( 0.4722222 0.5000000 0.2963952), wk = 0.0031447 k( 221) = ( 0.4861111 0.5000000 0.2963952), wk = 0.0031447 k( 222) = ( 0.5000000 0.5000000 0.2963952), wk = 0.0031447 k( 223) = ( 0.5000000 0.5000000 0.2963952), wk = 0.0031447 k( 224) = ( 0.4901961 0.4901961 0.2963952), wk = 0.0031447 k( 225) = ( 0.4803922 0.4803922 0.2963952), wk = 0.0031447 k( 226) = ( 0.4705882 0.4705882 0.2963952), wk = 0.0031447 k( 227) = ( 0.4607843 0.4607843 0.2963952), wk = 0.0031447 k( 228) = ( 0.4509804 0.4509804 0.2963952), wk = 0.0031447 k( 229) = ( 0.4411765 0.4411765 0.2963952), wk = 0.0031447 k( 230) = ( 0.4313726 0.4313725 0.2963952), wk = 0.0031447 k( 231) = ( 0.4215686 0.4215686 0.2963952), wk = 0.0031447 k( 232) = ( 0.4117647 0.4117647 0.2963952), wk = 0.0031447 k( 233) = ( 0.4019608 0.4019608 0.2963952), wk = 0.0031447 k( 234) = ( 0.3921569 0.3921569 0.2963952), wk = 0.0031447 k( 235) = ( 0.3823529 0.3823529 0.2963952), wk = 0.0031447 k( 236) = ( 0.3725490 0.3725490 0.2963952), wk = 0.0031447 k( 237) = ( 0.3627451 0.3627451 0.2963952), wk = 0.0031447 k( 238) = ( 0.3529412 0.3529412 0.2963952), wk = 0.0031447 k( 239) = ( 0.3431373 0.3431372 0.2963952), wk = 0.0031447 k( 240) = ( 0.3333333 0.3333333 0.2963952), wk = 0.0031447 k( 241) = ( 0.3235294 0.3235294 0.2963952), wk = 0.0031447 k( 242) = ( 0.3137255 0.3137255 0.2963952), wk = 0.0031447 k( 243) = ( 0.3039216 0.3039216 0.2963952), wk = 0.0031447 k( 244) = ( 0.2941177 0.2941176 0.2963952), wk = 0.0031447 k( 245) = ( 0.2843137 0.2843137 0.2963952), wk = 0.0031447 k( 246) = ( 0.2745098 0.2745098 0.2963952), wk = 0.0031447 k( 247) = ( 0.2647059 0.2647059 0.2963952), wk = 0.0031447 k( 248) = ( 0.2549020 0.2549020 0.2963952), wk = 0.0031447 k( 249) = ( 0.2450980 0.2450980 0.2963952), wk = 0.0031447 k( 250) = ( 0.2352941 0.2352941 0.2963952), wk = 0.0031447 k( 251) = ( 0.2254902 0.2254902 0.2963952), wk = 0.0031447 k( 252) = ( 0.2156863 0.2156863 0.2963952), wk = 0.0031447 k( 253) = ( 0.2058823 0.2058823 0.2963952), wk = 0.0031447 k( 254) = ( 0.1960784 0.1960784 0.2963952), wk = 0.0031447 k( 255) = ( 0.1862745 0.1862745 0.2963952), wk = 0.0031447 k( 256) = ( 0.1764706 0.1764706 0.2963952), wk = 0.0031447 k( 257) = ( 0.1666667 0.1666667 0.2963952), wk = 0.0031447 k( 258) = ( 0.1568627 0.1568627 0.2963952), wk = 0.0031447 k( 259) = ( 0.1470588 0.1470588 0.2963952), wk = 0.0031447 k( 260) = ( 0.1372549 0.1372549 0.2963952), wk = 0.0031447 k( 261) = ( 0.1274510 0.1274510 0.2963952), wk = 0.0031447 k( 262) = ( 0.1176471 0.1176471 0.2963952), wk = 0.0031447 k( 263) = ( 0.1078431 0.1078431 0.2963952), wk = 0.0031447 k( 264) = ( 0.0980392 0.0980392 0.2963952), wk = 0.0031447 k( 265) = ( 0.0882353 0.0882353 0.2963952), wk = 0.0031447 k( 266) = ( 0.0784314 0.0784314 0.2963952), wk = 0.0031447 k( 267) = ( 0.0686275 0.0686275 0.2963952), wk = 0.0031447 k( 268) = ( 0.0588235 0.0588235 0.2963952), wk = 0.0031447 k( 269) = ( 0.0490196 0.0490196 0.2963952), wk = 0.0031447 k( 270) = ( 0.0392157 0.0392157 0.2963952), wk = 0.0031447 k( 271) = ( 0.0294118 0.0294118 0.2963952), wk = 0.0031447 k( 272) = ( 0.0196078 0.0196078 0.2963952), wk = 0.0031447 k( 273) = ( 0.0098039 0.0098039 0.2963952), wk = 0.0031447 k( 274) = ( 0.0000000 0.0000000 0.2963952), wk = 0.0031447 k( 275) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 276) = ( 0.0000000 0.5000000 0.0141141), wk = 0.0031447 k( 277) = ( 0.0000000 0.5000000 0.0282281), wk = 0.0031447 k( 278) = ( 0.0000000 0.5000000 0.0423422), wk = 0.0031447 k( 279) = ( 0.0000000 0.5000000 0.0564562), wk = 0.0031447 k( 280) = ( 0.0000000 0.5000000 0.0705703), wk = 0.0031447 k( 281) = ( 0.0000000 0.5000000 0.0846843), wk = 0.0031447 k( 282) = ( 0.0000000 0.5000000 0.0987984), wk = 0.0031447 k( 283) = ( 0.0000000 0.5000000 0.1129125), wk = 0.0031447 k( 284) = ( 0.0000000 0.5000000 0.1270265), wk = 0.0031447 k( 285) = ( 0.0000000 0.5000000 0.1411406), wk = 0.0031447 k( 286) = ( 0.0000000 0.5000000 0.1552546), wk = 0.0031447 k( 287) = ( 0.0000000 0.5000000 0.1693687), wk = 0.0031447 k( 288) = ( 0.0000000 0.5000000 0.1834827), wk = 0.0031447 k( 289) = ( 0.0000000 0.5000000 0.1975968), wk = 0.0031447 k( 290) = ( 0.0000000 0.5000000 0.2117109), wk = 0.0031447 k( 291) = ( 0.0000000 0.5000000 0.2258249), wk = 0.0031447 k( 292) = ( 0.0000000 0.5000000 0.2399390), wk = 0.0031447 k( 293) = ( 0.0000000 0.5000000 0.2540530), wk = 0.0031447 k( 294) = ( 0.0000000 0.5000000 0.2681671), wk = 0.0031447 k( 295) = ( 0.0000000 0.5000000 0.2822811), wk = 0.0031447 k( 296) = ( 0.0000000 0.5000000 0.2963952), wk = 0.0031447 k( 297) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 298) = ( 0.5000000 0.5000000 0.0141141), wk = 0.0031447 k( 299) = ( 0.5000000 0.5000000 0.0282281), wk = 0.0031447 k( 300) = ( 0.5000000 0.5000000 0.0423422), wk = 0.0031447 k( 301) = ( 0.5000000 0.5000000 0.0564562), wk = 0.0031447 k( 302) = ( 0.5000000 0.5000000 0.0705703), wk = 0.0031447 k( 303) = ( 0.5000000 0.5000000 0.0846843), wk = 0.0031447 k( 304) = ( 0.5000000 0.5000000 0.0987984), wk = 0.0031447 k( 305) = ( 0.5000000 0.5000000 0.1129125), wk = 0.0031447 k( 306) = ( 0.5000000 0.5000000 0.1270265), wk = 0.0031447 k( 307) = ( 0.5000000 0.5000000 0.1411406), wk = 0.0031447 k( 308) = ( 0.5000000 0.5000000 0.1552546), wk = 0.0031447 k( 309) = ( 0.5000000 0.5000000 0.1693687), wk = 0.0031447 k( 310) = ( 0.5000000 0.5000000 0.1834827), wk = 0.0031447 k( 311) = ( 0.5000000 0.5000000 0.1975968), wk = 0.0031447 k( 312) = ( 0.5000000 0.5000000 0.2117109), wk = 0.0031447 k( 313) = ( 0.5000000 0.5000000 0.2258249), wk = 0.0031447 k( 314) = ( 0.5000000 0.5000000 0.2399390), wk = 0.0031447 k( 315) = ( 0.5000000 0.5000000 0.2540530), wk = 0.0031447 k( 316) = ( 0.5000000 0.5000000 0.2681671), wk = 0.0031447 k( 317) = ( 0.5000000 0.5000000 0.2822811), wk = 0.0031447 k( 318) = ( 0.5000000 0.5000000 0.2963952), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0031447 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0031447 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031447 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031447 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031447 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0031447 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031447 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031447 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0031447 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0031447 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031447 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031447 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031447 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0031447 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031447 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0031447 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0031447 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031447 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031447 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031447 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0031447 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031447 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031447 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0031447 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031447 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031447 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031447 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031447 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031447 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0031447 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0031447 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031447 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0031447 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031447 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031447 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031447 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0031447 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031447 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0031447 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031447 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031447 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031447 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0031447 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0031447 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031447 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0031447 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0031447 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031447 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0031447 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031447 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031447 k( 60) = ( 0.3055556 0.5000000 0.0000000), wk = 0.0031447 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031447 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031447 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0031447 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031447 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031447 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031447 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031447 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031447 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031447 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0031447 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031447 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031447 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0031447 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0031447 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0031447 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0031447 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0031447 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031447 k( 82) = ( 0.4313726 0.4313726 -0.0000000), wk = 0.0031447 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031447 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0031447 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0031447 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0031447 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031447 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0031447 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031447 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031447 k( 91) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0031447 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0031447 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031447 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031447 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0031447 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0031447 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0031447 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0031447 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0031447 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0031447 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0031447 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031447 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0031447 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0031447 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031447 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0031447 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031447 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031447 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0031447 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031447 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0031447 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0031447 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0031447 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031447 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031447 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031447 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0031447 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0031447 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0031447 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031447 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031447 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0031447 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031447 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 150) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0031447 k( 151) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0031447 k( 152) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0031447 k( 153) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0031447 k( 154) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0031447 k( 155) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0031447 k( 156) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0031447 k( 157) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0031447 k( 158) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0031447 k( 159) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0031447 k( 160) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0031447 k( 161) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0031447 k( 162) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0031447 k( 163) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0031447 k( 164) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0031447 k( 165) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0031447 k( 166) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0031447 k( 167) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0031447 k( 168) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0031447 k( 169) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0031447 k( 170) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0031447 k( 171) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0031447 k( 172) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0031447 k( 173) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0031447 k( 174) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0031447 k( 175) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0031447 k( 176) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0031447 k( 177) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0031447 k( 178) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0031447 k( 179) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0031447 k( 180) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0031447 k( 181) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0031447 k( 182) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0031447 k( 183) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0031447 k( 184) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0031447 k( 185) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 187) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0031447 k( 188) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0031447 k( 189) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0031447 k( 190) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0031447 k( 191) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0031447 k( 192) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0031447 k( 193) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0031447 k( 194) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0031447 k( 195) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0031447 k( 196) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0031447 k( 197) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0031447 k( 198) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0031447 k( 199) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0031447 k( 200) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0031447 k( 201) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0031447 k( 202) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0031447 k( 203) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0031447 k( 204) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0031447 k( 205) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0031447 k( 206) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0031447 k( 207) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0031447 k( 208) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0031447 k( 209) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0031447 k( 210) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0031447 k( 211) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0031447 k( 212) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0031447 k( 213) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0031447 k( 214) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0031447 k( 215) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0031447 k( 216) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0031447 k( 217) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0031447 k( 218) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0031447 k( 219) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0031447 k( 220) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0031447 k( 221) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0031447 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031447 k( 224) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0031447 k( 225) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0031447 k( 226) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0031447 k( 227) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0031447 k( 228) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0031447 k( 229) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0031447 k( 230) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0031447 k( 231) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0031447 k( 232) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0031447 k( 233) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0031447 k( 234) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0031447 k( 235) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0031447 k( 236) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0031447 k( 237) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0031447 k( 238) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0031447 k( 239) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0031447 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 k( 241) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0031447 k( 242) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0031447 k( 243) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0031447 k( 244) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0031447 k( 245) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0031447 k( 246) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0031447 k( 247) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0031447 k( 248) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0031447 k( 249) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0031447 k( 250) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0031447 k( 251) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0031447 k( 252) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0031447 k( 253) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0031447 k( 254) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0031447 k( 255) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0031447 k( 256) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0031447 k( 257) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031447 k( 258) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0031447 k( 259) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0031447 k( 260) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0031447 k( 261) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0031447 k( 262) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0031447 k( 263) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0031447 k( 264) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0031447 k( 265) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0031447 k( 266) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0031447 k( 267) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0031447 k( 268) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0031447 k( 269) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0031447 k( 270) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0031447 k( 271) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0031447 k( 272) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0031447 k( 273) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0031447 k( 274) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 275) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031447 k( 276) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0031447 k( 277) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0031447 k( 278) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0031447 k( 279) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0031447 k( 280) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0031447 k( 281) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0031447 k( 282) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0031447 k( 283) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0031447 k( 284) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0031447 k( 285) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0031447 k( 286) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0031447 k( 287) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0031447 k( 288) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0031447 k( 289) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0031447 k( 290) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0031447 k( 291) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0031447 k( 292) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0031447 k( 293) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0031447 k( 294) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0031447 k( 295) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0031447 k( 296) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031447 k( 297) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031447 k( 298) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031447 k( 299) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031447 k( 300) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031447 k( 301) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031447 k( 302) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031447 k( 303) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031447 k( 304) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031447 k( 305) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031447 k( 306) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031447 k( 307) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031447 k( 308) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031447 k( 309) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031447 k( 310) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031447 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031447 k( 312) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031447 k( 313) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031447 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031447 k( 315) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031447 k( 316) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031447 k( 317) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031447 k( 318) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031447 Dense grid: 97929 G-vectors FFT dimensions: ( 50, 50, 81) Smooth grid: 73681 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 520, 62) NL pseudopotentials 0.65 Mb ( 260, 164) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 2722) G-vector shells 0.01 Mb ( 1365) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.97 Mb ( 520, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) The potential is recalculated from file : ./NaZnSb.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.5 secs Computing kpt #: 11 total cpu time spent up to now is 12.3 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.9 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 secs Computing kpt #: 15 total cpu time spent up to now is 15.9 secs Computing kpt #: 16 total cpu time spent up to now is 16.8 secs Computing kpt #: 17 total cpu time spent up to now is 17.9 secs Computing kpt #: 18 total cpu time spent up to now is 18.8 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.4 secs Computing kpt #: 22 total cpu time spent up to now is 22.3 secs Computing kpt #: 23 total cpu time spent up to now is 23.1 secs Computing kpt #: 24 total cpu time spent up to now is 23.9 secs Computing kpt #: 25 total cpu time spent up to now is 24.8 secs Computing kpt #: 26 total cpu time spent up to now is 25.6 secs Computing kpt #: 27 total cpu time spent up to now is 26.5 secs Computing kpt #: 28 total cpu time spent up to now is 27.3 secs Computing kpt #: 29 total cpu time spent up to now is 28.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.0 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 32.0 secs Computing kpt #: 34 total cpu time spent up to now is 33.0 secs Computing kpt #: 35 total cpu time spent up to now is 34.0 secs Computing kpt #: 36 total cpu time spent up to now is 34.9 secs Computing kpt #: 37 total cpu time spent up to now is 35.9 secs Computing kpt #: 38 total cpu time spent up to now is 36.9 secs Computing kpt #: 39 total cpu time spent up to now is 37.9 secs Computing kpt #: 40 total cpu time spent up to now is 38.7 secs Computing kpt #: 41 total cpu time spent up to now is 39.6 secs Computing kpt #: 42 total cpu time spent up to now is 40.4 secs Computing kpt #: 43 total cpu time spent up to now is 41.3 secs Computing kpt #: 44 total cpu time spent up to now is 42.1 secs Computing kpt #: 45 total cpu time spent up to now is 43.0 secs Computing kpt #: 46 total cpu time spent up to now is 43.8 secs Computing kpt #: 47 total cpu time spent up to now is 44.6 secs Computing kpt #: 48 total cpu time spent up to now is 45.5 secs Computing kpt #: 49 total cpu time spent up to now is 46.3 secs Computing kpt #: 50 total cpu time spent up to now is 47.1 secs Computing kpt #: 51 total cpu time spent up to now is 48.0 secs Computing kpt #: 52 total cpu time spent up to now is 48.8 secs Computing kpt #: 53 total cpu time spent up to now is 49.7 secs Computing kpt #: 54 total cpu time spent up to now is 50.5 secs Computing kpt #: 55 total cpu time spent up to now is 51.4 secs Computing kpt #: 56 total cpu time spent up to now is 52.4 secs Computing kpt #: 57 total cpu time spent up to now is 53.2 secs Computing kpt #: 58 total cpu time spent up to now is 54.2 secs Computing kpt #: 59 total cpu time spent up to now is 55.2 secs Computing kpt #: 60 total cpu time spent up to now is 56.2 secs Computing kpt #: 61 total cpu time spent up to now is 57.2 secs Computing kpt #: 62 total cpu time spent up to now is 58.2 secs Computing kpt #: 63 total cpu time spent up to now is 59.2 secs Computing kpt #: 64 total cpu time spent up to now is 60.4 secs Computing kpt #: 65 total cpu time spent up to now is 61.5 secs Computing kpt #: 66 total cpu time spent up to now is 62.6 secs Computing kpt #: 67 total cpu time spent up to now is 63.8 secs Computing kpt #: 68 total cpu time spent up to now is 65.1 secs Computing kpt #: 69 total cpu time spent up to now is 66.3 secs Computing kpt #: 70 total cpu time spent up to now is 67.6 secs Computing kpt #: 71 total cpu time spent up to now is 68.9 secs Computing kpt #: 72 total cpu time spent up to now is 70.4 secs Computing kpt #: 73 total cpu time spent up to now is 72.1 secs Computing kpt #: 74 total cpu time spent up to now is 73.0 secs Computing kpt #: 75 total cpu time spent up to now is 74.0 secs Computing kpt #: 76 total cpu time spent up to now is 76.0 secs Computing kpt #: 77 total cpu time spent up to now is 77.3 secs Computing kpt #: 78 total cpu time spent up to now is 78.5 secs Computing kpt #: 79 total cpu time spent up to now is 79.6 secs Computing kpt #: 80 total cpu time spent up to now is 81.0 secs Computing kpt #: 81 total cpu time spent up to now is 82.1 secs Computing kpt #: 82 total cpu time spent up to now is 83.0 secs Computing kpt #: 83 total cpu time spent up to now is 84.0 secs Computing kpt #: 84 total cpu time spent up to now is 84.9 secs Computing kpt #: 85 total cpu time spent up to now is 85.9 secs Computing kpt #: 86 total cpu time spent up to now is 86.8 secs Computing kpt #: 87 total cpu time spent up to now is 87.7 secs Computing kpt #: 88 total cpu time spent up to now is 88.7 secs Computing kpt #: 89 total cpu time spent up to now is 89.6 secs Computing kpt #: 90 total cpu time spent up to now is 90.5 secs Computing kpt #: 91 total cpu time spent up to now is 91.4 secs Computing kpt #: 92 total cpu time spent up to now is 92.4 secs Computing kpt #: 93 total cpu time spent up to now is 93.3 secs Computing kpt #: 94 total cpu time spent up to now is 94.3 secs Computing kpt #: 95 total cpu time spent up to now is 95.3 secs Computing kpt #: 96 total cpu time spent up to now is 96.3 secs Computing kpt #: 97 total cpu time spent up to now is 97.3 secs Computing kpt #: 98 total cpu time spent up to now is 98.3 secs Computing kpt #: 99 total cpu time spent up to now is 99.3 secs Computing kpt #: 100 total cpu time spent up to now is 100.3 secs Computing kpt #: 101 total cpu time spent up to now is 101.2 secs Computing kpt #: 102 total cpu time spent up to now is 102.1 secs Computing kpt #: 103 total cpu time spent up to now is 102.9 secs Computing kpt #: 104 total cpu time spent up to now is 103.8 secs Computing kpt #: 105 total cpu time spent up to now is 104.7 secs Computing kpt #: 106 total cpu time spent up to now is 105.6 secs Computing kpt #: 107 total cpu time spent up to now is 106.5 secs Computing kpt #: 108 total cpu time spent up to now is 108.0 secs Computing kpt #: 109 total cpu time spent up to now is 108.8 secs Computing kpt #: 110 total cpu time spent up to now is 109.7 secs Computing kpt #: 111 total cpu time spent up to now is 110.5 secs Computing kpt #: 112 total cpu time spent up to now is 111.4 secs Computing kpt #: 113 total cpu time spent up to now is 112.2 secs Computing kpt #: 114 total cpu time spent up to now is 113.1 secs Computing kpt #: 115 total cpu time spent up to now is 114.1 secs Computing kpt #: 116 total cpu time spent up to now is 115.0 secs Computing kpt #: 117 total cpu time spent up to now is 115.8 secs Computing kpt #: 118 total cpu time spent up to now is 116.7 secs Computing kpt #: 119 total cpu time spent up to now is 117.5 secs Computing kpt #: 120 total cpu time spent up to now is 118.4 secs Computing kpt #: 121 total cpu time spent up to now is 119.2 secs Computing kpt #: 122 total cpu time spent up to now is 120.1 secs Computing kpt #: 123 total cpu time spent up to now is 120.9 secs Computing kpt #: 124 total cpu time spent up to now is 121.7 secs Computing kpt #: 125 total cpu time spent up to now is 122.6 secs Computing kpt #: 126 total cpu time spent up to now is 123.4 secs Computing kpt #: 127 total cpu time spent up to now is 124.2 secs Computing kpt #: 128 total cpu time spent up to now is 125.0 secs Computing kpt #: 129 total cpu time spent up to now is 125.8 secs Computing kpt #: 130 total cpu time spent up to now is 126.6 secs Computing kpt #: 131 total cpu time spent up to now is 127.4 secs Computing kpt #: 132 total cpu time spent up to now is 128.2 secs Computing kpt #: 133 total cpu time spent up to now is 129.0 secs Computing kpt #: 134 total cpu time spent up to now is 129.8 secs Computing kpt #: 135 total cpu time spent up to now is 130.6 secs Computing kpt #: 136 total cpu time spent up to now is 131.4 secs Computing kpt #: 137 total cpu time spent up to now is 132.2 secs Computing kpt #: 138 total cpu time spent up to now is 133.0 secs Computing kpt #: 139 total cpu time spent up to now is 133.9 secs Computing kpt #: 140 total cpu time spent up to now is 134.7 secs Computing kpt #: 141 total cpu time spent up to now is 135.5 secs Computing kpt #: 142 total cpu time spent up to now is 136.3 secs Computing kpt #: 143 total cpu time spent up to now is 137.2 secs Computing kpt #: 144 total cpu time spent up to now is 138.0 secs Computing kpt #: 145 total cpu time spent up to now is 138.9 secs Computing kpt #: 146 total cpu time spent up to now is 139.7 secs Computing kpt #: 147 total cpu time spent up to now is 140.6 secs Computing kpt #: 148 total cpu time spent up to now is 141.4 secs Computing kpt #: 149 total cpu time spent up to now is 142.3 secs Computing kpt #: 150 total cpu time spent up to now is 143.1 secs Computing kpt #: 151 total cpu time spent up to now is 143.9 secs Computing kpt #: 152 total cpu time spent up to now is 144.7 secs Computing kpt #: 153 total cpu time spent up to now is 145.5 secs Computing kpt #: 154 total cpu time spent up to now is 146.2 secs Computing kpt #: 155 total cpu time spent up to now is 147.0 secs Computing kpt #: 156 total cpu time spent up to now is 147.8 secs Computing kpt #: 157 total cpu time spent up to now is 148.5 secs Computing kpt #: 158 total cpu time spent up to now is 149.3 secs Computing kpt #: 159 total cpu time spent up to now is 150.1 secs Computing kpt #: 160 total cpu time spent up to now is 151.0 secs Computing kpt #: 161 total cpu time spent up to now is 151.8 secs Computing kpt #: 162 total cpu time spent up to now is 152.7 secs Computing kpt #: 163 total cpu time spent up to now is 153.5 secs Computing kpt #: 164 total cpu time spent up to now is 154.4 secs Computing kpt #: 165 total cpu time spent up to now is 155.3 secs Computing kpt #: 166 total cpu time spent up to now is 156.2 secs Computing kpt #: 167 total cpu time spent up to now is 157.0 secs Computing kpt #: 168 total cpu time spent up to now is 157.9 secs Computing kpt #: 169 total cpu time spent up to now is 158.9 secs Computing kpt #: 170 total cpu time spent up to now is 159.9 secs Computing kpt #: 171 total cpu time spent up to now is 161.0 secs Computing kpt #: 172 total cpu time spent up to now is 162.0 secs Computing kpt #: 173 total cpu time spent up to now is 163.0 secs Computing kpt #: 174 total cpu time spent up to now is 164.0 secs Computing kpt #: 175 total cpu time spent up to now is 165.0 secs Computing kpt #: 176 total cpu time spent up to now is 166.0 secs Computing kpt #: 177 total cpu time spent up to now is 167.0 secs Computing kpt #: 178 total cpu time spent up to now is 167.9 secs Computing kpt #: 179 total cpu time spent up to now is 168.9 secs Computing kpt #: 180 total cpu time spent up to now is 169.9 secs Computing kpt #: 181 total cpu time spent up to now is 170.8 secs Computing kpt #: 182 total cpu time spent up to now is 171.8 secs Computing kpt #: 183 total cpu time spent up to now is 172.7 secs Computing kpt #: 184 total cpu time spent up to now is 173.7 secs Computing kpt #: 185 total cpu time spent up to now is 174.5 secs Computing kpt #: 186 total cpu time spent up to now is 175.2 secs Computing kpt #: 187 total cpu time spent up to now is 176.2 secs Computing kpt #: 188 total cpu time spent up to now is 177.1 secs Computing kpt #: 189 total cpu time spent up to now is 177.9 secs Computing kpt #: 190 total cpu time spent up to now is 178.8 secs Computing kpt #: 191 total cpu time spent up to now is 179.6 secs Computing kpt #: 192 total cpu time spent up to now is 180.4 secs Computing kpt #: 193 total cpu time spent up to now is 181.3 secs Computing kpt #: 194 total cpu time spent up to now is 182.1 secs Computing kpt #: 195 total cpu time spent up to now is 182.9 secs Computing kpt #: 196 total cpu time spent up to now is 183.9 secs Computing kpt #: 197 total cpu time spent up to now is 184.8 secs Computing kpt #: 198 total cpu time spent up to now is 185.8 secs Computing kpt #: 199 total cpu time spent up to now is 186.6 secs Computing kpt #: 200 total cpu time spent up to now is 187.5 secs Computing kpt #: 201 total cpu time spent up to now is 188.4 secs Computing kpt #: 202 total cpu time spent up to now is 189.3 secs Computing kpt #: 203 total cpu time spent up to now is 190.1 secs Computing kpt #: 204 total cpu time spent up to now is 191.0 secs Computing kpt #: 205 total cpu time spent up to now is 191.9 secs Computing kpt #: 206 total cpu time spent up to now is 192.8 secs Computing kpt #: 207 total cpu time spent up to now is 193.7 secs Computing kpt #: 208 total cpu time spent up to now is 194.6 secs Computing kpt #: 209 total cpu time spent up to now is 195.4 secs Computing kpt #: 210 total cpu time spent up to now is 196.3 secs Computing kpt #: 211 total cpu time spent up to now is 197.1 secs Computing kpt #: 212 total cpu time spent up to now is 198.0 secs Computing kpt #: 213 total cpu time spent up to now is 198.9 secs Computing kpt #: 214 total cpu time spent up to now is 199.7 secs Computing kpt #: 215 total cpu time spent up to now is 200.6 secs Computing kpt #: 216 total cpu time spent up to now is 201.5 secs Computing kpt #: 217 total cpu time spent up to now is 202.3 secs Computing kpt #: 218 total cpu time spent up to now is 203.1 secs Computing kpt #: 219 total cpu time spent up to now is 204.0 secs Computing kpt #: 220 total cpu time spent up to now is 204.8 secs Computing kpt #: 221 total cpu time spent up to now is 205.6 secs Computing kpt #: 222 total cpu time spent up to now is 206.4 secs Computing kpt #: 223 total cpu time spent up to now is 207.3 secs Computing kpt #: 224 total cpu time spent up to now is 208.1 secs Computing kpt #: 225 total cpu time spent up to now is 208.9 secs Computing kpt #: 226 total cpu time spent up to now is 209.8 secs Computing kpt #: 227 total cpu time spent up to now is 210.6 secs Computing kpt #: 228 total cpu time spent up to now is 211.4 secs Computing kpt #: 229 total cpu time spent up to now is 212.2 secs Computing kpt #: 230 total cpu time spent up to now is 213.1 secs Computing kpt #: 231 total cpu time spent up to now is 213.9 secs Computing kpt #: 232 total cpu time spent up to now is 214.7 secs Computing kpt #: 233 total cpu time spent up to now is 215.5 secs Computing kpt #: 234 total cpu time spent up to now is 216.3 secs Computing kpt #: 235 total cpu time spent up to now is 217.1 secs Computing kpt #: 236 total cpu time spent up to now is 218.0 secs Computing kpt #: 237 total cpu time spent up to now is 218.8 secs Computing kpt #: 238 total cpu time spent up to now is 219.6 secs Computing kpt #: 239 total cpu time spent up to now is 220.4 secs Computing kpt #: 240 total cpu time spent up to now is 221.2 secs Computing kpt #: 241 total cpu time spent up to now is 222.1 secs Computing kpt #: 242 total cpu time spent up to now is 223.0 secs Computing kpt #: 243 total cpu time spent up to now is 223.9 secs Computing kpt #: 244 total cpu time spent up to now is 224.9 secs Computing kpt #: 245 total cpu time spent up to now is 225.9 secs Computing kpt #: 246 total cpu time spent up to now is 226.9 secs Computing kpt #: 247 total cpu time spent up to now is 227.8 secs Computing kpt #: 248 total cpu time spent up to now is 228.8 secs Computing kpt #: 249 total cpu time spent up to now is 229.8 secs Computing kpt #: 250 total cpu time spent up to now is 230.8 secs Computing kpt #: 251 total cpu time spent up to now is 231.7 secs Computing kpt #: 252 total cpu time spent up to now is 232.5 secs Computing kpt #: 253 total cpu time spent up to now is 233.3 secs Computing kpt #: 254 total cpu time spent up to now is 234.1 secs Computing kpt #: 255 total cpu time spent up to now is 235.0 secs Computing kpt #: 256 total cpu time spent up to now is 235.8 secs Computing kpt #: 257 total cpu time spent up to now is 236.7 secs Computing kpt #: 258 total cpu time spent up to now is 237.5 secs Computing kpt #: 259 total cpu time spent up to now is 238.4 secs Computing kpt #: 260 total cpu time spent up to now is 239.2 secs Computing kpt #: 261 total cpu time spent up to now is 240.1 secs Computing kpt #: 262 total cpu time spent up to now is 240.9 secs Computing kpt #: 263 total cpu time spent up to now is 241.7 secs Computing kpt #: 264 total cpu time spent up to now is 242.5 secs Computing kpt #: 265 total cpu time spent up to now is 243.3 secs Computing kpt #: 266 total cpu time spent up to now is 244.1 secs Computing kpt #: 267 total cpu time spent up to now is 244.8 secs Computing kpt #: 268 total cpu time spent up to now is 245.6 secs Computing kpt #: 269 total cpu time spent up to now is 246.4 secs Computing kpt #: 270 total cpu time spent up to now is 247.1 secs Computing kpt #: 271 total cpu time spent up to now is 248.0 secs Computing kpt #: 272 total cpu time spent up to now is 248.8 secs Computing kpt #: 273 total cpu time spent up to now is 249.6 secs Computing kpt #: 274 total cpu time spent up to now is 250.4 secs Computing kpt #: 275 total cpu time spent up to now is 251.3 secs Computing kpt #: 276 total cpu time spent up to now is 252.2 secs Computing kpt #: 277 total cpu time spent up to now is 253.1 secs Computing kpt #: 278 total cpu time spent up to now is 254.0 secs Computing kpt #: 279 total cpu time spent up to now is 254.8 secs Computing kpt #: 280 total cpu time spent up to now is 255.7 secs Computing kpt #: 281 total cpu time spent up to now is 256.5 secs Computing kpt #: 282 total cpu time spent up to now is 257.3 secs Computing kpt #: 283 total cpu time spent up to now is 258.0 secs Computing kpt #: 284 total cpu time spent up to now is 258.8 secs Computing kpt #: 285 total cpu time spent up to now is 259.6 secs Computing kpt #: 286 total cpu time spent up to now is 260.3 secs Computing kpt #: 287 total cpu time spent up to now is 261.1 secs Computing kpt #: 288 total cpu time spent up to now is 261.8 secs Computing kpt #: 289 total cpu time spent up to now is 262.6 secs Computing kpt #: 290 total cpu time spent up to now is 263.3 secs Computing kpt #: 291 total cpu time spent up to now is 264.1 secs Computing kpt #: 292 total cpu time spent up to now is 264.9 secs Computing kpt #: 293 total cpu time spent up to now is 265.6 secs Computing kpt #: 294 total cpu time spent up to now is 266.4 secs Computing kpt #: 295 total cpu time spent up to now is 267.1 secs Computing kpt #: 296 total cpu time spent up to now is 267.9 secs Computing kpt #: 297 total cpu time spent up to now is 268.9 secs Computing kpt #: 298 total cpu time spent up to now is 269.9 secs Computing kpt #: 299 total cpu time spent up to now is 270.9 secs Computing kpt #: 300 total cpu time spent up to now is 272.0 secs Computing kpt #: 301 total cpu time spent up to now is 273.1 secs Computing kpt #: 302 total cpu time spent up to now is 274.1 secs Computing kpt #: 303 total cpu time spent up to now is 275.1 secs Computing kpt #: 304 total cpu time spent up to now is 276.0 secs Computing kpt #: 305 total cpu time spent up to now is 277.0 secs Computing kpt #: 306 total cpu time spent up to now is 277.9 secs Computing kpt #: 307 total cpu time spent up to now is 278.9 secs Computing kpt #: 308 total cpu time spent up to now is 279.8 secs Computing kpt #: 309 total cpu time spent up to now is 280.6 secs Computing kpt #: 310 total cpu time spent up to now is 281.5 secs Computing kpt #: 311 total cpu time spent up to now is 282.3 secs Computing kpt #: 312 total cpu time spent up to now is 283.1 secs Computing kpt #: 313 total cpu time spent up to now is 284.0 secs Computing kpt #: 314 total cpu time spent up to now is 284.8 secs Computing kpt #: 315 total cpu time spent up to now is 285.6 secs Computing kpt #: 316 total cpu time spent up to now is 286.4 secs Computing kpt #: 317 total cpu time spent up to now is 287.3 secs Computing kpt #: 318 total cpu time spent up to now is 288.1 secs ethr = 1.92E-08, avg # of iterations = 21.1 total cpu time spent up to now is 288.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9257 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8098 -4.8098 -3.5495 -3.5495 -1.8047 -1.8047 -1.7822 -1.7822 -1.7583 -1.7583 -1.6764 -1.6764 -1.4449 -1.4449 -1.3950 -1.3950 -1.3651 -1.3651 -1.2975 -1.2975 -1.2293 -1.2293 -1.1127 -1.1127 1.2087 1.2087 3.5673 3.5673 3.7954 3.7954 5.2123 5.2123 5.3462 5.3462 5.8717 5.8717 6.1133 6.1133 6.6522 6.6522 7.0029 7.0029 8.7427 8.7427 9.5036 9.5036 k = 0.0000 0.0139-0.0000 ( 9269 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8087 -4.8087 -3.5492 -3.5492 -1.8047 -1.8047 -1.7821 -1.7821 -1.7582 -1.7582 -1.6763 -1.6763 -1.4454 -1.4454 -1.3945 -1.3945 -1.3648 -1.3648 -1.2975 -1.2975 -1.2292 -1.2292 -1.1130 -1.1130 1.2095 1.2095 3.5594 3.5594 3.7871 3.7871 5.2099 5.2099 5.3605 5.3605 5.8621 5.8621 6.0967 6.0967 6.6751 6.6751 7.0098 7.0098 8.7505 8.7505 9.4981 9.4981 k = 0.0000 0.0278-0.0000 ( 9265 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.8054 -4.8054 -3.5485 -3.5485 -1.8044 -1.8044 -1.7817 -1.7817 -1.7579 -1.7579 -1.6762 -1.6762 -1.4467 -1.4467 -1.3929 -1.3929 -1.3640 -1.3640 -1.2977 -1.2977 -1.2292 -1.2292 -1.1138 -1.1138 1.2116 1.2116 3.5324 3.5324 3.7677 3.7677 5.2020 5.2020 5.4011 5.4011 5.8303 5.8303 6.0606 6.0606 6.7339 6.7339 7.0307 7.0307 8.7735 8.7735 9.4769 9.4769 k = 0.0000 0.0417-0.0000 ( 9265 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7998 -4.7998 -3.5473 -3.5473 -1.8041 -1.8041 -1.7811 -1.7811 -1.7575 -1.7575 -1.6758 -1.6758 -1.4485 -1.4485 -1.3907 -1.3907 -1.3625 -1.3625 -1.2980 -1.2980 -1.2291 -1.2291 -1.1153 -1.1153 1.2152 1.2152 3.4793 3.4793 3.7496 3.7496 5.1870 5.1870 5.4624 5.4624 5.7719 5.7719 6.0276 6.0276 6.8112 6.8112 7.0664 7.0664 8.8115 8.8115 9.4349 9.4349 k = 0.0000 0.0556-0.0000 ( 9249 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7922 -4.7922 -3.5457 -3.5457 -1.8035 -1.8035 -1.7802 -1.7802 -1.7569 -1.7569 -1.6754 -1.6754 -1.4508 -1.4508 -1.3884 -1.3884 -1.3603 -1.3603 -1.2984 -1.2984 -1.2289 -1.2289 -1.1173 -1.1173 1.2202 1.2202 3.3984 3.3984 3.7410 3.7410 5.1629 5.1629 5.5365 5.5365 5.6933 5.6933 6.0060 6.0060 6.8952 6.8952 7.1178 7.1178 8.8639 8.8639 9.3765 9.3765 k = 0.0000 0.0694-0.0000 ( 9241 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7823 -4.7823 -3.5436 -3.5436 -1.8028 -1.8028 -1.7791 -1.7791 -1.7561 -1.7561 -1.6748 -1.6748 -1.4531 -1.4531 -1.3863 -1.3863 -1.3572 -1.3572 -1.2990 -1.2990 -1.2285 -1.2285 -1.1198 -1.1198 1.2265 1.2265 3.2957 3.2957 3.7422 3.7422 5.1263 5.1263 5.5936 5.5936 5.6302 5.6302 5.9926 5.9926 6.9793 6.9793 7.1861 7.1861 8.9296 8.9296 9.3081 9.3081 k = 0.0000 0.0833-0.0000 ( 9250 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9610 -18.9610 -18.7896 -18.7896 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.7703 -4.7703 -3.5412 -3.5412 -1.8020 -1.8020 -1.7777 -1.7777 -1.7551 -1.7551 -1.6740 -1.6740 -1.4554 -1.4554 -1.3846 -1.3846 -1.3532 -1.3532 -1.2996 -1.2996 -1.2280 -1.2280 -1.1227 -1.1227 1.2341 1.2341 3.1782 3.1782 3.7506 3.7506 5.0734 5.0734 5.5192 5.5192 5.7031 5.7031 5.9834 5.9834 7.0604 7.0604 7.2723 7.2723 9.0071 9.0071 9.2350 9.2350 k = 0.0000 0.0972-0.0000 ( 9252 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9610 -18.9610 -18.7896 -18.7896 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.7561 -4.7561 -3.5385 -3.5385 -1.8009 -1.8009 -1.7761 -1.7761 -1.7540 -1.7540 -1.6732 -1.6732 -1.4574 -1.4574 -1.3834 -1.3834 -1.3487 -1.3487 -1.3004 -1.3004 -1.2273 -1.2273 -1.1261 -1.1261 1.2429 1.2429 3.0515 3.0515 3.7643 3.7643 5.0012 5.0012 5.4474 5.4474 5.7811 5.7811 5.9760 5.9760 7.1371 7.1371 7.3766 7.3766 9.0945 9.0945 9.1607 9.1607 k = 0.0000 0.1111-0.0000 ( 9252 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9611 -18.9611 -18.7896 -18.7896 -18.7884 -18.7884 -18.7830 -18.7830 -18.7819 -18.7819 -4.7399 -4.7399 -3.5354 -3.5354 -1.7997 -1.7997 -1.7743 -1.7743 -1.7528 -1.7528 -1.6722 -1.6722 -1.4592 -1.4592 -1.3826 -1.3826 -1.3439 -1.3439 -1.3013 -1.3013 -1.2262 -1.2262 -1.1298 -1.1298 1.2528 1.2528 2.9195 2.9195 3.7823 3.7823 4.9106 4.9106 5.3879 5.3879 5.8537 5.8537 5.9692 5.9692 7.2088 7.2088 7.4986 7.4986 9.0882 9.0882 9.1894 9.1894 k = 0.0000 0.1250-0.0000 ( 9242 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9612 -18.9612 -18.7896 -18.7896 -18.7885 -18.7885 -18.7830 -18.7830 -18.7819 -18.7819 -4.7216 -4.7216 -3.5322 -3.5322 -1.7984 -1.7984 -1.7722 -1.7722 -1.7514 -1.7514 -1.6710 -1.6710 -1.4607 -1.4607 -1.3822 -1.3822 -1.3392 -1.3392 -1.3023 -1.3023 -1.2247 -1.2247 -1.1337 -1.1337 1.2637 1.2637 2.7847 2.7847 3.8039 3.8039 4.8059 4.8059 5.3383 5.3383 5.9186 5.9186 5.9637 5.9637 7.2758 7.2758 7.6372 7.6372 9.0198 9.0198 9.2888 9.2888 k = 0.0000 0.1389-0.0000 ( 9238 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9613 -18.9613 -18.7896 -18.7896 -18.7885 -18.7885 -18.7830 -18.7830 -18.7820 -18.7820 -4.7013 -4.7013 -3.5289 -3.5289 -1.7968 -1.7968 -1.7699 -1.7699 -1.7499 -1.7499 -1.6697 -1.6697 -1.4617 -1.4617 -1.3819 -1.3819 -1.3348 -1.3348 -1.3034 -1.3034 -1.2229 -1.2229 -1.1378 -1.1378 1.2755 1.2755 2.6491 2.6491 3.8287 3.8287 4.6922 4.6922 5.2944 5.2944 5.9488 5.9488 5.9859 5.9859 7.3384 7.3384 7.7901 7.7901 8.9577 8.9577 9.3892 9.3892 k = 0.0000 0.1528-0.0000 ( 9228 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9613 -18.9613 -18.7896 -18.7896 -18.7885 -18.7885 -18.7830 -18.7830 -18.7820 -18.7820 -4.6790 -4.6790 -3.5255 -3.5255 -1.7950 -1.7950 -1.7674 -1.7674 -1.7483 -1.7483 -1.6683 -1.6683 -1.4624 -1.4624 -1.3818 -1.3818 -1.3310 -1.3310 -1.3046 -1.3046 -1.2208 -1.2208 -1.1417 -1.1417 1.2878 1.2878 2.5140 2.5140 3.8563 3.8563 4.5737 4.5737 5.2527 5.2527 5.9422 5.9422 6.0386 6.0386 7.3971 7.3971 7.9546 7.9546 8.9043 8.9043 9.4865 9.4865 k = 0.0000 0.1667-0.0000 ( 9220 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9614 -18.9614 -18.7896 -18.7896 -18.7885 -18.7885 -18.7830 -18.7830 -18.7821 -18.7821 -4.6548 -4.6548 -3.5222 -3.5222 -1.7930 -1.7930 -1.7647 -1.7647 -1.7466 -1.7466 -1.6667 -1.6667 -1.4626 -1.4626 -1.3818 -1.3818 -1.3281 -1.3281 -1.3059 -1.3059 -1.2186 -1.2186 -1.1452 -1.1452 1.3006 1.3006 2.3807 2.3807 3.8864 3.8864 4.4537 4.4537 5.2106 5.2106 5.9325 5.9325 6.0888 6.0888 7.4525 7.4525 8.1258 8.1258 8.8634 8.8634 9.5756 9.5756 k = 0.0000 0.1806-0.0000 ( 9238 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9670 -18.9670 -18.9615 -18.9615 -18.7896 -18.7896 -18.7886 -18.7886 -18.7831 -18.7831 -18.7821 -18.7821 -4.6287 -4.6287 -3.5191 -3.5191 -1.7909 -1.7909 -1.7619 -1.7619 -1.7448 -1.7448 -1.6650 -1.6650 -1.4624 -1.4624 -1.3819 -1.3819 -1.3260 -1.3260 -1.3073 -1.3073 -1.2166 -1.2166 -1.1479 -1.1479 1.3135 1.3135 2.2500 2.2500 3.9188 3.9188 4.3345 4.3345 5.1664 5.1664 5.9213 5.9213 6.1362 6.1362 7.5050 7.5050 8.2952 8.2952 8.8424 8.8424 9.6482 9.6482 k = 0.0000 0.1944-0.0000 ( 9240 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9670 -18.9670 -18.9616 -18.9616 -18.7897 -18.7897 -18.7886 -18.7886 -18.7831 -18.7831 -18.7822 -18.7822 -4.6008 -4.6008 -3.5162 -3.5162 -1.7885 -1.7885 -1.7589 -1.7589 -1.7429 -1.7429 -1.6632 -1.6632 -1.4618 -1.4618 -1.3821 -1.3821 -1.3249 -1.3249 -1.3087 -1.3087 -1.2155 -1.2155 -1.1494 -1.1494 1.3263 1.3263 2.1228 2.1228 3.9526 3.9526 4.2183 4.2183 5.1192 5.1192 5.9088 5.9088 6.1816 6.1816 7.5551 7.5551 8.4427 8.4427 8.8602 8.8602 9.6913 9.6913 k = 0.0000 0.2083-0.0000 ( 9226 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9669 -18.9669 -18.9618 -18.9618 -18.7896 -18.7896 -18.7886 -18.7886 -18.7832 -18.7832 -18.7822 -18.7822 -4.5712 -4.5712 -3.5137 -3.5137 -1.7859 -1.7859 -1.7557 -1.7557 -1.7408 -1.7408 -1.6613 -1.6613 -1.4607 -1.4607 -1.3822 -1.3822 -1.3248 -1.3248 -1.3103 -1.3103 -1.2157 -1.2157 -1.1493 -1.1493 1.3385 1.3385 1.9998 1.9998 3.9836 3.9836 4.1103 4.1103 5.0684 5.0684 5.8948 5.8948 6.2258 6.2258 7.6030 7.6030 8.5353 8.5353 8.9485 8.9485 9.7176 9.7176 k = 0.0000 0.2222-0.0000 ( 9232 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9669 -18.9669 -18.9619 -18.9619 -18.7897 -18.7897 -18.7886 -18.7886 -18.7833 -18.7833 -18.7823 -18.7823 -4.5400 -4.5400 -3.5118 -3.5118 -1.7830 -1.7830 -1.7524 -1.7524 -1.7387 -1.7387 -1.6593 -1.6593 -1.4591 -1.4591 -1.3823 -1.3823 -1.3254 -1.3254 -1.3119 -1.3119 -1.2175 -1.2175 -1.1474 -1.1474 1.3495 1.3495 1.8817 1.8817 3.9663 3.9663 4.0571 4.0571 5.0137 5.0137 5.8793 5.8793 6.2698 6.2698 7.6488 7.6488 8.5715 8.5715 9.1072 9.1072 9.7399 9.7399 k = 0.0000 0.2361-0.0000 ( 9228 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9620 -18.9620 -18.7897 -18.7897 -18.7886 -18.7886 -18.7833 -18.7833 -18.7823 -18.7823 -4.5072 -4.5072 -3.5105 -3.5105 -1.7799 -1.7799 -1.7491 -1.7491 -1.7365 -1.7365 -1.6572 -1.6572 -1.4572 -1.4572 -1.3824 -1.3824 -1.3268 -1.3268 -1.3136 -1.3136 -1.2209 -1.2209 -1.1442 -1.1442 1.3586 1.3586 1.7695 1.7695 3.8740 3.8740 4.0860 4.0860 4.9550 4.9550 5.8624 5.8624 6.3139 6.3139 7.6925 7.6925 8.5828 8.5828 9.3024 9.3024 9.7571 9.7571 k = 0.0000 0.2500-0.0000 ( 9218 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9622 -18.9622 -18.7897 -18.7897 -18.7886 -18.7886 -18.7834 -18.7834 -18.7824 -18.7824 -4.4730 -4.4730 -3.5099 -3.5099 -1.7767 -1.7767 -1.7456 -1.7456 -1.7341 -1.7341 -1.6550 -1.6550 -1.4547 -1.4547 -1.3825 -1.3825 -1.3288 -1.3288 -1.3153 -1.3153 -1.2255 -1.2255 -1.1400 -1.1400 1.3647 1.3647 1.6644 1.6644 3.7772 3.7772 4.1274 4.1274 4.8925 4.8925 5.8438 5.8438 6.3589 6.3589 7.7340 7.7340 8.5885 8.5885 9.5092 9.5092 9.7590 9.7590 k = 0.0000 0.2639-0.0000 ( 9224 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9623 -18.9623 -18.7897 -18.7897 -18.7887 -18.7887 -18.7835 -18.7835 -18.7824 -18.7824 -4.4374 -4.4374 -3.5103 -3.5103 -1.7731 -1.7731 -1.7422 -1.7422 -1.7316 -1.7316 -1.6528 -1.6528 -1.4519 -1.4519 -1.3825 -1.3825 -1.3314 -1.3314 -1.3170 -1.3170 -1.2312 -1.2312 -1.1354 -1.1354 1.3652 1.3652 1.5688 1.5688 3.6856 3.6856 4.1722 4.1722 4.8266 4.8266 5.8235 5.8235 6.4049 6.4049 7.7728 7.7728 8.5956 8.5956 9.6752 9.6752 9.7631 9.7631 k = 0.0000 0.2778-0.0000 ( 9220 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9666 -18.9666 -18.9624 -18.9624 -18.7898 -18.7898 -18.7887 -18.7887 -18.7835 -18.7835 -18.7825 -18.7825 -4.4006 -4.4006 -3.5118 -3.5118 -1.7694 -1.7694 -1.7388 -1.7388 -1.7289 -1.7289 -1.6506 -1.6506 -1.4486 -1.4486 -1.3825 -1.3825 -1.3343 -1.3343 -1.3188 -1.3188 -1.2376 -1.2376 -1.1311 -1.1311 1.3537 1.3537 1.4892 1.4892 3.6011 3.6011 4.2189 4.2189 4.7578 4.7578 5.8013 5.8013 6.4524 6.4524 7.8086 7.8086 8.6067 8.6067 9.6693 9.6693 9.8209 9.8209 k = 0.0000 0.2917-0.0000 ( 9218 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9666 -18.9666 -18.9626 -18.9626 -18.7898 -18.7898 -18.7887 -18.7887 -18.7836 -18.7836 -18.7825 -18.7825 -4.3627 -4.3627 -3.5144 -3.5144 -1.7656 -1.7656 -1.7355 -1.7355 -1.7260 -1.7260 -1.6484 -1.6484 -1.4449 -1.4449 -1.3825 -1.3825 -1.3374 -1.3374 -1.3206 -1.3206 -1.2444 -1.2444 -1.1275 -1.1275 1.3169 1.3169 1.4387 1.4387 3.5249 3.5249 4.2666 4.2666 4.6871 4.6871 5.7772 5.7772 6.5014 6.5014 7.8405 7.8405 8.6228 8.6228 9.6228 9.6228 9.8506 9.8506 k = 0.0000 0.3056-0.0000 ( 9220 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9665 -18.9665 -18.9628 -18.9628 -18.7898 -18.7898 -18.7887 -18.7887 -18.7836 -18.7836 -18.7826 -18.7826 -4.3238 -4.3238 -3.5185 -3.5185 -1.7615 -1.7615 -1.7323 -1.7323 -1.7228 -1.7228 -1.6462 -1.6462 -1.4407 -1.4407 -1.3824 -1.3824 -1.3408 -1.3408 -1.3223 -1.3223 -1.2515 -1.2515 -1.1250 -1.1250 1.2570 1.2570 1.4152 1.4152 3.4578 3.4578 4.3139 4.3139 4.6159 4.6159 5.7509 5.7509 6.5522 6.5522 7.8677 7.8677 8.6442 8.6442 9.5710 9.5710 9.8732 9.8732 k = 0.0000 0.3194-0.0000 ( 9220 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9664 -18.9664 -18.9629 -18.9629 -18.7898 -18.7898 -18.7888 -18.7888 -18.7836 -18.7836 -18.7826 -18.7826 -4.2841 -4.2841 -3.5240 -3.5240 -1.7574 -1.7574 -1.7293 -1.7293 -1.7193 -1.7193 -1.6441 -1.6441 -1.4362 -1.4362 -1.3823 -1.3823 -1.3441 -1.3441 -1.3238 -1.3238 -1.2587 -1.2587 -1.1240 -1.1240 1.1923 1.1923 1.4001 1.4001 3.4006 3.4006 4.3563 4.3563 4.5493 4.5493 5.7224 5.7224 6.6049 6.6049 7.8890 7.8890 8.6707 8.6707 9.5197 9.5197 9.8928 9.8928 k = 0.0000 0.3333-0.0000 ( 9222 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9663 -18.9663 -18.9631 -18.9631 -18.7898 -18.7898 -18.7888 -18.7888 -18.7837 -18.7837 -18.7827 -18.7827 -4.2437 -4.2437 -3.5311 -3.5311 -1.7532 -1.7532 -1.7266 -1.7266 -1.7155 -1.7155 -1.6421 -1.6421 -1.4312 -1.4312 -1.3823 -1.3823 -1.3474 -1.3474 -1.3252 -1.3252 -1.2661 -1.2661 -1.1247 -1.1247 1.1315 1.1315 1.3848 1.3848 3.3538 3.3538 4.3742 4.3742 4.5069 4.5069 5.6915 5.6915 6.6595 6.6595 7.9034 7.9034 8.7022 8.7022 9.4726 9.4726 9.9100 9.9100 k = 0.0000 0.3472-0.0000 ( 9224 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9663 -18.9663 -18.9632 -18.9632 -18.7899 -18.7899 -18.7888 -18.7888 -18.7837 -18.7837 -18.7827 -18.7827 -4.2028 -4.2028 -3.5401 -3.5401 -1.7491 -1.7491 -1.7240 -1.7240 -1.7113 -1.7113 -1.6402 -1.6402 -1.4259 -1.4259 -1.3822 -1.3822 -1.3505 -1.3505 -1.3263 -1.3263 -1.2733 -1.2733 -1.1274 -1.1274 1.0777 1.0777 1.3665 1.3665 3.3177 3.3177 4.3357 4.3357 4.5213 4.5213 5.6582 5.6582 6.7160 6.7160 7.9096 7.9096 8.7385 8.7385 9.4323 9.4323 9.9247 9.9247 k = 0.0000 0.3611-0.0000 ( 9230 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9662 -18.9662 -18.9634 -18.9634 -18.7899 -18.7899 -18.7889 -18.7889 -18.7837 -18.7837 -18.7828 -18.7828 -4.1616 -4.1616 -3.5509 -3.5509 -1.7450 -1.7450 -1.7218 -1.7218 -1.7068 -1.7068 -1.6387 -1.6387 -1.4202 -1.4202 -1.3823 -1.3823 -1.3533 -1.3533 -1.3271 -1.3271 -1.2805 -1.2805 -1.1322 -1.1322 1.0318 1.0318 1.3443 1.3443 3.2925 3.2925 4.2673 4.2673 4.5660 4.5660 5.6225 5.6225 6.7744 6.7744 7.9066 7.9066 8.7791 8.7791 9.4006 9.4006 9.9368 9.9368 k = 0.0000 0.3750-0.0000 ( 9220 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9661 -18.9661 -18.9636 -18.9636 -18.7898 -18.7898 -18.7889 -18.7889 -18.7837 -18.7837 -18.7828 -18.7828 -4.1203 -4.1203 -3.5636 -3.5636 -1.7411 -1.7411 -1.7198 -1.7198 -1.7020 -1.7020 -1.6374 -1.6374 -1.4143 -1.4143 -1.3826 -1.3826 -1.3556 -1.3556 -1.3273 -1.3273 -1.2875 -1.2875 -1.1391 -1.1391 0.9943 0.9943 1.3181 1.3181 3.2781 3.2781 4.1915 4.1915 4.6190 4.6190 5.5843 5.5843 6.8347 6.8347 7.8938 7.8938 8.8237 8.8237 9.3784 9.3784 9.9462 9.9462 k = 0.0000 0.3889-0.0000 ( 9224 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9660 -18.9660 -18.9637 -18.9637 -18.7898 -18.7898 -18.7890 -18.7890 -18.7837 -18.7837 -18.7829 -18.7829 -4.0790 -4.0790 -3.5785 -3.5785 -1.7374 -1.7374 -1.7181 -1.7181 -1.6968 -1.6968 -1.6365 -1.6365 -1.4082 -1.4082 -1.3829 -1.3829 -1.3576 -1.3576 -1.3268 -1.3268 -1.2941 -1.2941 -1.1481 -1.1481 0.9654 0.9654 1.2882 1.2882 3.2742 3.2742 4.1138 4.1138 4.6750 4.6750 5.5436 5.5436 6.8967 6.8967 7.8711 7.8711 8.8719 8.8719 9.3657 9.3657 9.9527 9.9527 k = 0.0000 0.4028-0.0000 ( 9238 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9659 -18.9659 -18.9639 -18.9639 -18.7898 -18.7898 -18.7891 -18.7891 -18.7837 -18.7837 -18.7830 -18.7830 -4.0379 -4.0379 -3.5955 -3.5955 -1.7339 -1.7339 -1.7167 -1.7167 -1.6913 -1.6913 -1.6361 -1.6361 -1.4022 -1.4022 -1.3833 -1.3833 -1.3591 -1.3591 -1.3257 -1.3257 -1.3001 -1.3001 -1.1589 -1.1589 0.9451 0.9451 1.2551 1.2551 3.2802 3.2802 4.0359 4.0359 4.7327 4.7327 5.5005 5.5005 6.9605 6.9605 7.8388 7.8388 8.9232 8.9232 9.3616 9.3616 9.9562 9.9562 k = 0.0000 0.4167-0.0000 ( 9232 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9657 -18.9657 -18.9641 -18.9641 -18.7898 -18.7898 -18.7891 -18.7891 -18.7837 -18.7837 -18.7830 -18.7830 -3.9974 -3.9974 -3.6146 -3.6146 -1.7307 -1.7307 -1.7158 -1.7158 -1.6855 -1.6855 -1.6363 -1.6363 -1.3964 -1.3964 -1.3837 -1.3837 -1.3601 -1.3601 -1.3245 -1.3245 -1.3047 -1.3047 -1.1714 -1.1714 0.9331 0.9331 1.2197 1.2197 3.2957 3.2957 3.9588 3.9588 4.7912 4.7912 5.4551 5.4551 7.0258 7.0258 7.7977 7.7977 8.9772 8.9772 9.3637 9.3637 9.9569 9.9569 k = 0.0000 0.4306-0.0000 ( 9220 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9656 -18.9656 -18.9642 -18.9642 -18.7898 -18.7898 -18.7892 -18.7892 -18.7837 -18.7837 -18.7831 -18.7831 -3.9575 -3.9575 -3.6360 -3.6360 -1.7277 -1.7277 -1.7151 -1.7151 -1.6796 -1.6796 -1.6371 -1.6371 -1.3911 -1.3911 -1.3839 -1.3839 -1.3604 -1.3604 -1.3246 -1.3246 -1.3060 -1.3060 -1.1853 -1.1853 0.9290 0.9290 1.1828 1.1828 3.3197 3.3197 3.8830 3.8830 4.8501 4.8501 5.4075 5.4075 7.0925 7.0925 7.7491 7.7491 9.0330 9.0330 9.3690 9.3690 9.9550 9.9550 k = 0.0000 0.4444-0.0000 ( 9218 PWs) bands (ev): -46.9190 -46.9190 -46.9189 -46.9189 -18.9655 -18.9655 -18.9643 -18.9643 -18.7897 -18.7897 -18.7892 -18.7892 -18.7836 -18.7836 -18.7831 -18.7831 -3.9184 -3.9184 -3.6596 -3.6596 -1.7251 -1.7251 -1.7149 -1.7149 -1.6737 -1.6737 -1.6387 -1.6387 -1.3869 -1.3869 -1.3840 -1.3840 -1.3599 -1.3599 -1.3275 -1.3275 -1.3025 -1.3025 -1.2001 -1.2001 0.9323 0.9323 1.1452 1.1452 3.3517 3.3517 3.8093 3.8093 4.9093 4.9093 5.3578 5.3578 7.1603 7.1603 7.6942 7.6942 9.0898 9.0898 9.3730 9.3730 9.9516 9.9516 k = 0.0000 0.4583-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9645 -18.9645 -18.7897 -18.7897 -18.7893 -18.7893 -18.7835 -18.7835 -18.7832 -18.7832 -3.8804 -3.8804 -3.6853 -3.6853 -1.7227 -1.7227 -1.7150 -1.7150 -1.6678 -1.6678 -1.6409 -1.6409 -1.3841 -1.3841 -1.3838 -1.3838 -1.3582 -1.3582 -1.3321 -1.3321 -1.2953 -1.2953 -1.2155 -1.2155 0.9426 0.9426 1.1080 1.1080 3.3908 3.3908 3.7380 3.7380 4.9683 4.9683 5.3062 5.3062 7.2290 7.2290 7.6344 7.6344 9.1466 9.1466 9.3710 9.3710 9.9488 9.9488 k = 0.0000 0.4722-0.0000 ( 9222 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9652 -18.9652 -18.9647 -18.9647 -18.7896 -18.7896 -18.7894 -18.7894 -18.7835 -18.7835 -18.7833 -18.7833 -3.8438 -3.8438 -3.7132 -3.7132 -1.7206 -1.7206 -1.7154 -1.7154 -1.6622 -1.6622 -1.6439 -1.6439 -1.3835 -1.3835 -1.3826 -1.3826 -1.3553 -1.3553 -1.3371 -1.3371 -1.2855 -1.2855 -1.2309 -1.2309 0.9590 0.9590 1.0721 1.0721 3.4363 3.4363 3.6697 3.6697 5.0269 5.0269 5.2529 5.2529 7.2982 7.2982 7.5708 7.5708 9.2017 9.2017 9.3589 9.3589 9.9497 9.9497 k = 0.0000 0.4861-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9648 -18.9648 -18.7896 -18.7896 -18.7894 -18.7894 -18.7834 -18.7834 -18.7833 -18.7833 -3.8085 -3.8085 -3.7431 -3.7431 -1.7188 -1.7188 -1.7162 -1.7162 -1.6568 -1.6568 -1.6476 -1.6476 -1.3830 -1.3830 -1.3822 -1.3822 -1.3515 -1.3515 -1.3421 -1.3421 -1.2737 -1.2737 -1.2460 -1.2460 0.9810 0.9810 1.0384 1.0384 3.4876 3.4876 3.6049 3.6049 5.0849 5.0849 5.1981 5.1981 7.3676 7.3676 7.5046 7.5046 9.2532 9.2532 9.3345 9.3345 9.9553 9.9553 k = 0.0000 0.5000-0.0000 ( 9206 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7749 -3.7749 -3.7749 -3.7749 -1.7174 -1.7174 -1.7174 -1.7174 -1.6519 -1.6519 -1.6519 -1.6519 -1.3825 -1.3825 -1.3825 -1.3825 -1.3470 -1.3470 -1.3470 -1.3470 -1.2604 -1.2604 -1.2604 -1.2604 1.0077 1.0077 1.0077 1.0077 3.5440 3.5440 3.5440 3.5440 5.1421 5.1421 5.1421 5.1421 7.4366 7.4366 7.4366 7.4366 9.2985 9.2985 9.2985 9.2985 9.9638 9.9638 k = 0.0000 0.5000-0.0000 ( 9206 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7749 -3.7749 -3.7749 -3.7749 -1.7174 -1.7174 -1.7174 -1.7174 -1.6519 -1.6519 -1.6519 -1.6519 -1.3825 -1.3825 -1.3825 -1.3825 -1.3470 -1.3470 -1.3470 -1.3470 -1.2604 -1.2604 -1.2604 -1.2604 1.0077 1.0077 1.0077 1.0077 3.5440 3.5440 3.5440 3.5440 5.1421 5.1421 5.1421 5.1421 7.4366 7.4366 7.4366 7.4366 9.2985 9.2985 9.2985 9.2985 9.9638 9.9638 k = 0.0139 0.5000-0.0000 ( 9198 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7894 -18.7894 -18.7835 -18.7835 -18.7832 -18.7832 -3.7744 -3.7744 -3.7740 -3.7740 -1.7196 -1.7196 -1.7152 -1.7152 -1.6549 -1.6549 -1.6490 -1.6490 -1.3835 -1.3835 -1.3816 -1.3816 -1.3479 -1.3479 -1.3461 -1.3461 -1.2614 -1.2614 -1.2588 -1.2588 1.0074 1.0074 1.0094 1.0094 3.5441 3.5441 3.5449 3.5449 5.1211 5.1211 5.1354 5.1354 7.4392 7.4392 7.4643 7.4643 9.2733 9.2733 9.2920 9.2920 9.8888 9.8888 k = 0.0278 0.5000-0.0000 ( 9214 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9649 -18.9649 -18.7897 -18.7897 -18.7893 -18.7893 -18.7836 -18.7836 -18.7832 -18.7832 -3.7724 -3.7724 -3.7717 -3.7717 -1.7219 -1.7219 -1.7130 -1.7130 -1.6579 -1.6579 -1.6463 -1.6463 -1.3847 -1.3847 -1.3809 -1.3809 -1.3490 -1.3490 -1.3454 -1.3454 -1.2616 -1.2616 -1.2564 -1.2564 1.0083 1.0083 1.0124 1.0124 3.5454 3.5454 3.5468 3.5468 5.0744 5.0744 5.1017 5.1017 7.4708 7.4708 7.5204 7.5204 9.2221 9.2221 9.2520 9.2520 9.8178 9.8178 k = 0.0417 0.5000-0.0000 ( 9218 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9649 -18.9649 -18.7898 -18.7898 -18.7892 -18.7892 -18.7838 -18.7838 -18.7831 -18.7831 -3.7690 -3.7690 -3.7679 -3.7679 -1.7243 -1.7243 -1.7110 -1.7110 -1.6610 -1.6610 -1.6436 -1.6436 -1.3860 -1.3860 -1.3804 -1.3804 -1.3500 -1.3500 -1.3446 -1.3446 -1.2611 -1.2611 -1.2534 -1.2534 1.0105 1.0105 1.0166 1.0166 3.5478 3.5478 3.5497 3.5497 5.0056 5.0056 5.0438 5.0438 7.5272 7.5272 7.6007 7.6007 9.1523 9.1523 9.1829 9.1829 9.7608 9.7608 k = 0.0556 0.5000-0.0000 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9649 -18.9649 -18.7899 -18.7899 -18.7891 -18.7891 -18.7839 -18.7839 -18.7830 -18.7830 -3.7641 -3.7641 -3.7627 -3.7627 -1.7266 -1.7266 -1.7091 -1.7091 -1.6640 -1.6640 -1.6411 -1.6411 -1.3874 -1.3874 -1.3801 -1.3801 -1.3510 -1.3510 -1.3439 -1.3439 -1.2599 -1.2599 -1.2499 -1.2499 1.0140 1.0140 1.0222 1.0222 3.5512 3.5512 3.5535 3.5535 4.9191 4.9191 4.9660 4.9660 7.6020 7.6020 7.6992 7.6992 9.0723 9.0723 9.0941 9.0941 9.7145 9.7145 k = 0.0694 0.5000-0.0000 ( 9212 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7900 -18.7900 -18.7889 -18.7889 -18.7840 -18.7840 -18.7829 -18.7829 -3.7579 -3.7579 -3.7562 -3.7562 -1.7290 -1.7290 -1.7075 -1.7075 -1.6668 -1.6668 -1.6387 -1.6387 -1.3889 -1.3889 -1.3802 -1.3802 -1.3517 -1.3517 -1.3430 -1.3430 -1.2581 -1.2581 -1.2460 -1.2460 1.0185 1.0185 1.0289 1.0289 3.5556 3.5556 3.5580 3.5580 4.8195 4.8195 4.8727 4.8727 7.6868 7.6868 7.8084 7.8084 8.9904 8.9904 8.9970 8.9970 9.6736 9.6736 k = 0.0833 0.5000-0.0000 ( 9214 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7901 -18.7901 -18.7888 -18.7888 -18.7842 -18.7842 -18.7829 -18.7829 -3.7503 -3.7503 -3.7483 -3.7483 -1.7313 -1.7313 -1.7063 -1.7063 -1.6693 -1.6693 -1.6363 -1.6363 -1.3906 -1.3906 -1.3808 -1.3808 -1.3521 -1.3521 -1.3419 -1.3419 -1.2558 -1.2558 -1.2417 -1.2417 1.0241 1.0241 1.0367 1.0367 3.5610 3.5610 3.5630 3.5630 4.7109 4.7109 4.7683 4.7683 7.7710 7.7710 7.9181 7.9181 8.9035 8.9035 8.9158 8.9158 9.6345 9.6345 k = 0.0972 0.5000-0.0000 ( 9222 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9650 -18.9650 -18.7902 -18.7902 -18.7887 -18.7887 -18.7844 -18.7844 -18.7828 -18.7828 -3.7414 -3.7414 -3.7390 -3.7390 -1.7337 -1.7337 -1.7057 -1.7057 -1.6712 -1.6712 -1.6341 -1.6341 -1.3924 -1.3924 -1.3818 -1.3818 -1.3519 -1.3519 -1.3407 -1.3407 -1.2530 -1.2530 -1.2370 -1.2370 1.0305 1.0305 1.0455 1.0455 3.5673 3.5673 3.5682 3.5682 4.5966 4.5966 4.6562 4.6562 7.8417 7.8417 8.0132 8.0132 8.8282 8.8282 8.8589 8.8589 9.5962 9.5962 k = 0.1111 0.5000-0.0000 ( 9234 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9650 -18.9650 -18.7903 -18.7903 -18.7886 -18.7886 -18.7846 -18.7846 -18.7828 -18.7828 -3.7312 -3.7312 -3.7286 -3.7286 -1.7362 -1.7362 -1.7058 -1.7058 -1.6724 -1.6724 -1.6319 -1.6319 -1.3942 -1.3942 -1.3833 -1.3833 -1.3512 -1.3512 -1.3392 -1.3392 -1.2498 -1.2498 -1.2322 -1.2322 1.0377 1.0377 1.0551 1.0551 3.5732 3.5732 3.5743 3.5743 4.4795 4.4795 4.5396 4.5396 7.8847 7.8847 8.0715 8.0715 8.7903 8.7903 8.8297 8.8297 9.5602 9.5602 k = 0.1250 0.5000-0.0000 ( 9234 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9650 -18.9650 -18.7904 -18.7904 -18.7885 -18.7885 -18.7848 -18.7848 -18.7828 -18.7828 -3.7198 -3.7198 -3.7169 -3.7169 -1.7386 -1.7386 -1.7069 -1.7069 -1.6726 -1.6726 -1.6298 -1.6298 -1.3961 -1.3961 -1.3851 -1.3851 -1.3500 -1.3500 -1.3375 -1.3375 -1.2463 -1.2463 -1.2272 -1.2272 1.0454 1.0454 1.0654 1.0654 3.5773 3.5773 3.5819 3.5819 4.3624 4.3624 4.4206 4.4206 7.8895 7.8895 8.0737 8.0737 8.8033 8.8033 8.8317 8.8317 9.5318 9.5318 k = 0.1389 0.5000-0.0000 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9652 -18.9652 -18.9651 -18.9651 -18.7905 -18.7905 -18.7884 -18.7884 -18.7850 -18.7850 -18.7828 -18.7828 -3.7073 -3.7073 -3.7040 -3.7040 -1.7411 -1.7411 -1.7089 -1.7089 -1.6719 -1.6719 -1.6277 -1.6277 -1.3980 -1.3980 -1.3873 -1.3873 -1.3482 -1.3482 -1.3356 -1.3356 -1.2426 -1.2426 -1.2220 -1.2220 1.0535 1.0535 1.0761 1.0761 3.5796 3.5796 3.5899 3.5899 4.2477 4.2477 4.3013 4.3013 7.8565 7.8565 8.0231 8.0231 8.8523 8.8523 8.8544 8.8544 9.5218 9.5218 k = 0.1528 0.5000-0.0000 ( 9252 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9652 -18.9652 -18.9651 -18.9651 -18.7905 -18.7905 -18.7883 -18.7883 -18.7852 -18.7852 -18.7828 -18.7828 -3.6936 -3.6936 -3.6901 -3.6901 -1.7436 -1.7436 -1.7116 -1.7116 -1.6703 -1.6703 -1.6255 -1.6255 -1.3999 -1.3999 -1.3896 -1.3896 -1.3461 -1.3461 -1.3335 -1.3335 -1.2387 -1.2387 -1.2168 -1.2168 1.0617 1.0617 1.0871 1.0871 3.5785 3.5785 3.5982 3.5982 4.1382 4.1382 4.1833 4.1833 7.7946 7.7946 7.9394 7.9394 8.8763 8.8763 8.8997 8.8997 9.5480 9.5480 k = 0.1667 0.5000-0.0000 ( 9264 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7906 -18.7906 -18.7881 -18.7881 -18.7854 -18.7854 -18.7828 -18.7828 -3.6790 -3.6790 -3.6752 -3.6752 -1.7462 -1.7462 -1.7150 -1.7150 -1.6680 -1.6680 -1.6233 -1.6233 -1.4018 -1.4018 -1.3921 -1.3921 -1.3436 -1.3436 -1.3311 -1.3311 -1.2346 -1.2346 -1.2115 -1.2115 1.0697 1.0697 1.0980 1.0980 3.5714 3.5714 3.6064 3.6064 4.0375 4.0375 4.0678 4.0678 7.7144 7.7144 7.8392 7.8392 8.8776 8.8776 8.9139 8.9139 9.6254 9.6254 k = 0.1806 0.5000-0.0000 ( 9254 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7906 -18.7906 -18.7880 -18.7880 -18.7856 -18.7856 -18.7828 -18.7828 -3.6634 -3.6634 -3.6594 -3.6594 -1.7487 -1.7487 -1.7188 -1.7188 -1.6651 -1.6651 -1.6210 -1.6210 -1.4036 -1.4036 -1.3946 -1.3946 -1.3408 -1.3408 -1.3286 -1.3286 -1.2303 -1.2303 -1.2062 -1.2062 1.0773 1.0773 1.1086 1.1086 3.5542 3.5542 3.6142 3.6142 3.9505 3.9505 3.9562 3.9562 7.6240 7.6240 7.7318 7.7318 8.8512 8.8512 8.8890 8.8890 9.7509 9.7509 k = 0.1944 0.5000-0.0000 ( 9250 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7907 -18.7907 -18.7879 -18.7879 -18.7857 -18.7857 -18.7828 -18.7828 -3.6470 -3.6470 -3.6428 -3.6428 -1.7513 -1.7513 -1.7229 -1.7229 -1.6618 -1.6618 -1.6186 -1.6186 -1.4054 -1.4054 -1.3970 -1.3970 -1.3378 -1.3378 -1.3259 -1.3259 -1.2260 -1.2260 -1.2010 -1.2010 1.0841 1.0841 1.1184 1.1184 3.5221 3.5221 3.6210 3.6210 3.8499 3.8499 3.8828 3.8828 7.5287 7.5287 7.6222 7.6222 8.8006 8.8006 8.8353 8.8353 9.9090 9.9090 k = 0.2083 0.5000-0.0000 ( 9246 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7907 -18.7907 -18.7878 -18.7878 -18.7859 -18.7859 -18.7828 -18.7828 -3.6299 -3.6299 -3.6255 -3.6255 -1.7540 -1.7540 -1.7271 -1.7271 -1.6580 -1.6580 -1.6161 -1.6161 -1.4071 -1.4071 -1.3995 -1.3995 -1.3345 -1.3345 -1.3230 -1.3230 -1.2216 -1.2216 -1.1957 -1.1957 1.0897 1.0897 1.1271 1.1271 3.4730 3.4730 3.6244 3.6244 3.7516 3.7516 3.8370 3.8370 7.4320 7.4320 7.5133 7.5133 8.7326 8.7326 8.7635 8.7635 10.0864 10.0864 k = 0.2222 0.5000-0.0000 ( 9240 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7908 -18.7908 -18.7876 -18.7876 -18.7861 -18.7861 -18.7828 -18.7828 -3.6122 -3.6122 -3.6076 -3.6076 -1.7566 -1.7566 -1.7315 -1.7315 -1.6540 -1.6540 -1.6133 -1.6133 -1.4087 -1.4087 -1.4018 -1.4018 -1.3311 -1.3311 -1.3200 -1.3200 -1.2172 -1.2172 -1.1905 -1.1905 1.0938 1.0938 1.1343 1.1343 3.4104 3.4104 3.6106 3.6106 3.6760 3.6760 3.8103 3.8103 7.3364 7.3364 7.4069 7.4069 8.6526 8.6526 8.6804 8.6804 10.2741 10.2741 k = 0.2361 0.5000-0.0000 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9654 -18.9654 -18.9653 -18.9653 -18.7908 -18.7908 -18.7876 -18.7876 -18.7862 -18.7862 -18.7829 -18.7829 -3.5939 -3.5939 -3.5893 -3.5893 -1.7593 -1.7593 -1.7359 -1.7359 -1.6496 -1.6496 -1.6104 -1.6104 -1.4103 -1.4103 -1.4041 -1.4041 -1.3275 -1.3275 -1.3170 -1.3170 -1.2126 -1.2126 -1.1853 -1.1853 1.0960 1.0960 1.1395 1.1395 3.3412 3.3412 3.5463 3.5463 3.6565 3.6565 3.7960 3.7960 7.2435 7.2435 7.3045 7.3045 8.5646 8.5646 8.5901 8.5901 10.4665 10.4665 k = 0.2500 0.5000-0.0000 ( 9264 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9654 -18.9654 -18.9653 -18.9653 -18.7909 -18.7909 -18.7875 -18.7875 -18.7864 -18.7864 -18.7830 -18.7830 -3.5753 -3.5753 -3.5706 -3.5706 -1.7619 -1.7619 -1.7404 -1.7404 -1.6449 -1.6449 -1.6073 -1.6073 -1.4118 -1.4118 -1.4063 -1.4063 -1.3237 -1.3237 -1.3138 -1.3138 -1.2081 -1.2081 -1.1803 -1.1803 1.0960 1.0960 1.1423 1.1423 3.2715 3.2715 3.4693 3.4693 3.6558 3.6558 3.7887 3.7887 7.1546 7.1546 7.2068 7.2068 8.4711 8.4711 8.4951 8.4951 10.6590 10.6590 k = 0.2639 0.5000-0.0000 ( 9268 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7875 -18.7875 -18.7865 -18.7865 -18.7830 -18.7830 -3.5565 -3.5565 -3.5517 -3.5517 -1.7646 -1.7646 -1.7447 -1.7447 -1.6400 -1.6400 -1.6040 -1.6040 -1.4132 -1.4132 -1.4084 -1.4084 -1.3199 -1.3199 -1.3106 -1.3106 -1.2035 -1.2035 -1.1753 -1.1753 1.0935 1.0935 1.1422 1.1422 3.2051 3.2051 3.3974 3.3974 3.6563 3.6563 3.7846 3.7846 7.0707 7.0707 7.1148 7.1148 8.3742 8.3742 8.3972 8.3972 10.8480 10.8480 k = 0.2778 0.5000-0.0000 ( 9268 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7875 -18.7875 -18.7866 -18.7866 -18.7831 -18.7831 -3.5375 -3.5375 -3.5327 -3.5327 -1.7672 -1.7672 -1.7491 -1.7491 -1.6348 -1.6348 -1.6005 -1.6005 -1.4146 -1.4146 -1.4104 -1.4104 -1.3160 -1.3160 -1.3073 -1.3073 -1.1988 -1.1988 -1.1704 -1.1704 1.0882 1.0882 1.1389 1.1389 3.1447 3.1447 3.3333 3.3333 3.6555 3.6555 3.7814 3.7814 6.9925 6.9925 7.0292 7.0292 8.2751 8.2751 8.2975 8.2975 11.0297 11.0297 k = 0.2917 0.5000-0.0000 ( 9260 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7876 -18.7876 -18.7865 -18.7865 -18.7832 -18.7832 -3.5187 -3.5187 -3.5139 -3.5139 -1.7698 -1.7698 -1.7533 -1.7533 -1.6294 -1.6294 -1.5968 -1.5968 -1.4159 -1.4159 -1.4123 -1.4123 -1.3121 -1.3121 -1.3040 -1.3040 -1.1941 -1.1941 -1.1656 -1.1656 1.0800 1.0800 1.1322 1.1322 3.0917 3.0917 3.2778 3.2778 3.6525 3.6525 3.7778 3.7778 6.9209 6.9209 6.9505 6.9505 8.1750 8.1750 8.1970 8.1970 11.2009 11.2009 k = 0.3056 0.5000-0.0000 ( 9256 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7909 -18.7909 -18.7878 -18.7878 -18.7864 -18.7864 -18.7832 -18.7832 -3.5000 -3.5000 -3.4952 -3.4952 -1.7723 -1.7723 -1.7574 -1.7574 -1.6239 -1.6239 -1.5929 -1.5929 -1.4171 -1.4171 -1.4142 -1.4142 -1.3081 -1.3081 -1.3007 -1.3007 -1.1894 -1.1894 -1.1609 -1.1609 1.0689 1.0689 1.1218 1.1218 3.0472 3.0472 3.2313 3.2313 3.6468 3.6468 3.7726 3.7726 6.8563 6.8563 6.8794 6.8794 8.0748 8.0748 8.0966 8.0966 11.3589 11.3589 k = 0.3194 0.5000-0.0000 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7908 -18.7908 -18.7879 -18.7879 -18.7863 -18.7863 -18.7833 -18.7833 -3.4817 -3.4817 -3.4770 -3.4770 -1.7748 -1.7748 -1.7613 -1.7613 -1.6182 -1.6182 -1.5890 -1.5890 -1.4183 -1.4183 -1.4160 -1.4160 -1.3042 -1.3042 -1.2975 -1.2975 -1.1846 -1.1846 -1.1564 -1.1564 1.0550 1.0550 1.1080 1.1080 3.0116 3.0116 3.1940 3.1940 3.6383 3.6383 3.7653 3.7653 6.7993 6.7993 6.8163 6.8163 7.9751 7.9751 7.9968 7.9968 11.5024 11.5024 k = 0.3333 0.5000-0.0000 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7908 -18.7908 -18.7881 -18.7881 -18.7862 -18.7862 -18.7834 -18.7834 -3.4638 -3.4638 -3.4593 -3.4593 -1.7771 -1.7771 -1.7650 -1.7650 -1.6124 -1.6124 -1.5849 -1.5849 -1.4194 -1.4194 -1.4177 -1.4177 -1.3004 -1.3004 -1.2943 -1.2943 -1.1798 -1.1798 -1.1521 -1.1521 1.0386 1.0386 1.0908 1.0908 2.9851 2.9851 3.1656 3.1656 3.6266 3.6266 3.7551 3.7551 6.7503 6.7503 6.7615 6.7615 7.8766 7.8766 7.8984 7.8984 11.6319 11.6319 k = 0.3472 0.5000-0.0000 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7908 -18.7908 -18.7883 -18.7883 -18.7861 -18.7861 -18.7835 -18.7835 -3.4467 -3.4467 -3.4424 -3.4424 -1.7794 -1.7794 -1.7686 -1.7686 -1.6065 -1.6065 -1.5809 -1.5809 -1.4206 -1.4206 -1.4193 -1.4193 -1.2967 -1.2967 -1.2913 -1.2913 -1.1749 -1.1749 -1.1480 -1.1480 1.0200 1.0200 1.0707 1.0707 2.9677 2.9677 3.1460 3.1460 3.6115 3.6115 3.7419 3.7419 6.7093 6.7093 6.7153 6.7153 7.7800 7.7800 7.8018 7.8018 11.7490 11.7490 k = 0.3611 0.5000-0.0000 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9656 -18.9656 -18.7908 -18.7908 -18.7884 -18.7884 -18.7860 -18.7860 -18.7835 -18.7835 -3.4304 -3.4304 -3.4263 -3.4263 -1.7815 -1.7815 -1.7719 -1.7719 -1.6007 -1.6007 -1.5769 -1.5769 -1.4216 -1.4216 -1.4208 -1.4208 -1.2931 -1.2931 -1.2884 -1.2884 -1.1700 -1.1700 -1.1441 -1.1441 1.0000 1.0000 1.0484 1.0484 2.9588 2.9588 3.1345 3.1345 3.5933 3.5933 3.7254 3.7254 6.6767 6.6767 6.6780 6.6780 7.6858 7.6858 7.7077 7.7077 11.8562 11.8562 k = 0.3750 0.5000-0.0000 ( 9236 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7907 -18.7907 -18.7886 -18.7886 -18.7858 -18.7858 -18.7836 -18.7836 -3.4151 -3.4151 -3.4112 -3.4112 -1.7834 -1.7834 -1.7750 -1.7750 -1.5949 -1.5949 -1.5730 -1.5730 -1.4227 -1.4227 -1.4223 -1.4223 -1.2897 -1.2897 -1.2856 -1.2856 -1.1651 -1.1651 -1.1405 -1.1405 0.9791 0.9791 1.0244 1.0244 2.9580 2.9580 3.1306 3.1306 3.5719 3.5719 3.7054 3.7054 6.6495 6.6495 6.6524 6.6524 7.5945 7.5945 7.6164 7.6164 11.9555 11.9555 k = 0.3889 0.5000-0.0000 ( 9228 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7907 -18.7907 -18.7888 -18.7888 -18.7857 -18.7857 -18.7837 -18.7837 -3.4009 -3.4009 -3.3973 -3.3973 -1.7851 -1.7851 -1.7779 -1.7779 -1.5893 -1.5893 -1.5694 -1.5694 -1.4237 -1.4237 -1.4237 -1.4237 -1.2865 -1.2865 -1.2830 -1.2830 -1.1603 -1.1603 -1.1373 -1.1373 0.9580 0.9580 0.9997 0.9997 2.9646 2.9646 3.1334 3.1334 3.5477 3.5477 3.6821 3.6821 6.6296 6.6296 6.6360 6.6360 7.5069 7.5069 7.5287 7.5287 12.0488 12.0488 k = 0.4028 0.5000-0.0000 ( 9232 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7906 -18.7906 -18.7890 -18.7890 -18.7855 -18.7855 -18.7838 -18.7838 -3.3879 -3.3879 -3.3847 -3.3847 -1.7867 -1.7867 -1.7805 -1.7805 -1.5839 -1.5839 -1.5661 -1.5661 -1.4249 -1.4249 -1.4247 -1.4247 -1.2836 -1.2836 -1.2807 -1.2807 -1.1555 -1.1555 -1.1345 -1.1345 0.9376 0.9376 0.9751 0.9751 2.9778 2.9778 3.1418 3.1418 3.5213 3.5213 3.6557 3.6557 6.6180 6.6180 6.6274 6.6274 7.4235 7.4235 7.4450 7.4450 12.1370 12.1370 k = 0.4167 0.5000-0.0000 ( 9218 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7905 -18.7905 -18.7891 -18.7891 -18.7854 -18.7854 -18.7839 -18.7839 -3.3764 -3.3764 -3.3736 -3.3736 -1.7880 -1.7880 -1.7828 -1.7828 -1.5787 -1.5787 -1.5632 -1.5632 -1.4260 -1.4260 -1.4257 -1.4257 -1.2809 -1.2809 -1.2786 -1.2786 -1.1509 -1.1509 -1.1321 -1.1321 0.9185 0.9185 0.9514 0.9514 2.9966 2.9966 3.1546 3.1546 3.4936 3.4936 3.6266 3.6266 6.6142 6.6142 6.6257 6.6257 7.3453 7.3453 7.3663 7.3663 12.2205 12.2205 k = 0.4306 0.5000-0.0000 ( 9214 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7904 -18.7904 -18.7893 -18.7893 -18.7852 -18.7852 -18.7840 -18.7840 -3.3664 -3.3664 -3.3640 -3.3640 -1.7891 -1.7891 -1.7848 -1.7848 -1.5740 -1.5740 -1.5608 -1.5608 -1.4270 -1.4270 -1.4265 -1.4265 -1.2786 -1.2786 -1.2768 -1.2768 -1.1465 -1.1465 -1.1303 -1.1303 0.9014 0.9014 0.9294 0.9294 3.0201 3.0201 3.1698 3.1698 3.4659 3.4659 3.5952 3.5952 6.6173 6.6173 6.6301 6.6301 7.2733 7.2733 7.2933 7.2933 12.2987 12.2987 k = 0.4444 0.5000-0.0000 ( 9218 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7904 -18.7904 -18.7894 -18.7894 -18.7851 -18.7851 -18.7841 -18.7841 -3.3580 -3.3580 -3.3560 -3.3560 -1.7899 -1.7899 -1.7866 -1.7866 -1.5697 -1.5697 -1.5590 -1.5590 -1.4278 -1.4278 -1.4273 -1.4273 -1.2767 -1.2767 -1.2753 -1.2753 -1.1424 -1.1424 -1.1290 -1.1290 0.8871 0.8871 0.9098 0.9098 3.0473 3.0473 3.1850 3.1850 3.4407 3.4407 3.5622 3.5622 6.6260 6.6260 6.6392 6.6392 7.2090 7.2090 7.2275 7.2275 12.3704 12.3704 k = 0.4583 0.5000-0.0000 ( 9220 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7903 -18.7903 -18.7896 -18.7896 -18.7850 -18.7850 -18.7842 -18.7842 -3.3513 -3.3513 -3.3498 -3.3498 -1.7905 -1.7905 -1.7880 -1.7880 -1.5659 -1.5659 -1.5578 -1.5578 -1.4285 -1.4285 -1.4280 -1.4280 -1.2752 -1.2752 -1.2741 -1.2741 -1.1386 -1.1386 -1.1284 -1.1284 0.8760 0.8760 0.8932 0.8932 3.0771 3.0771 3.1960 3.1960 3.4216 3.4216 3.5285 3.5285 6.6385 6.6385 6.6508 6.6508 7.1545 7.1545 7.1705 7.1705 12.4334 12.4334 k = 0.4722 0.5000-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7901 -18.7901 -18.7897 -18.7897 -18.7848 -18.7848 -18.7844 -18.7844 -3.3464 -3.3464 -3.3454 -3.3454 -1.7908 -1.7908 -1.7892 -1.7892 -1.5628 -1.5628 -1.5573 -1.5573 -1.4289 -1.4289 -1.4285 -1.4285 -1.2740 -1.2740 -1.2733 -1.2733 -1.1354 -1.1354 -1.1285 -1.1285 0.8686 0.8686 0.8802 0.8802 3.1082 3.1082 3.1979 3.1979 3.4135 3.4135 3.4953 3.4953 6.6524 6.6524 6.6622 6.6622 7.1127 7.1127 7.1247 7.1247 12.4847 12.4847 k = 0.4861 0.5000-0.0000 ( 9212 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7901 -18.7901 -18.7898 -18.7898 -18.7847 -18.7847 -18.7845 -18.7845 -3.3433 -3.3433 -3.3428 -3.3428 -1.7909 -1.7909 -1.7900 -1.7900 -1.5603 -1.5603 -1.5575 -1.5575 -1.4291 -1.4291 -1.4289 -1.4289 -1.2732 -1.2732 -1.2729 -1.2729 -1.1327 -1.1327 -1.1292 -1.1292 0.8652 0.8652 0.8710 0.8710 3.1389 3.1389 3.1876 3.1876 3.4195 3.4195 3.4643 3.4643 6.6644 6.6644 6.6699 6.6699 7.0869 7.0869 7.0935 7.0935 12.5211 12.5212 k = 0.5000 0.5000-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3421 -3.3421 -3.3421 -3.3421 -1.7906 -1.7906 -1.7906 -1.7906 -1.5586 -1.5586 -1.5586 -1.5586 -1.4291 -1.4291 -1.4291 -1.4291 -1.2729 -1.2729 -1.2729 -1.2729 -1.1306 -1.1306 -1.1306 -1.1306 0.8660 0.8660 0.8660 0.8660 3.1665 3.1665 3.1665 3.1665 3.4378 3.4378 3.4378 3.4378 6.6708 6.6708 6.6708 6.6708 7.0803 7.0803 7.0803 7.0803 12.5399 12.5399 k = 0.5000 0.5000-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3421 -3.3421 -3.3421 -3.3421 -1.7906 -1.7906 -1.7906 -1.7906 -1.5586 -1.5586 -1.5586 -1.5586 -1.4291 -1.4291 -1.4291 -1.4291 -1.2729 -1.2729 -1.2729 -1.2729 -1.1306 -1.1306 -1.1306 -1.1306 0.8660 0.8660 0.8660 0.8660 3.1665 3.1665 3.1665 3.1665 3.4378 3.4378 3.4378 3.4378 6.6708 6.6708 6.6708 6.6708 7.0803 7.0803 7.0803 7.0803 12.5399 12.5399 k = 0.4902 0.4902-0.0000 ( 9212 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7901 -18.7901 -18.7898 -18.7898 -18.7847 -18.7847 -18.7845 -18.7845 -3.3439 -3.3439 -3.3422 -3.3422 -1.7909 -1.7909 -1.7900 -1.7900 -1.5603 -1.5603 -1.5576 -1.5576 -1.4291 -1.4291 -1.4289 -1.4289 -1.2732 -1.2732 -1.2729 -1.2729 -1.1328 -1.1328 -1.1291 -1.1291 0.8650 0.8650 0.8712 0.8712 3.1382 3.1382 3.1886 3.1886 3.4185 3.4185 3.4650 3.4650 6.6616 6.6616 6.6728 6.6728 7.0839 7.0839 7.0964 7.0964 12.5182 12.5182 k = 0.4804 0.4804-0.0000 ( 9210 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7902 -18.7902 -18.7897 -18.7897 -18.7848 -18.7848 -18.7844 -18.7844 -3.3491 -3.3491 -3.3427 -3.3427 -1.7911 -1.7911 -1.7889 -1.7889 -1.5628 -1.5628 -1.5573 -1.5573 -1.4290 -1.4290 -1.4284 -1.4284 -1.2740 -1.2740 -1.2733 -1.2733 -1.1364 -1.1364 -1.1274 -1.1274 0.8674 0.8674 0.8814 0.8814 3.1034 3.1034 3.2061 3.2061 3.4054 3.4054 3.5001 3.5001 6.6396 6.6396 6.6762 6.6762 7.0976 7.0976 7.1384 7.1384 12.4682 12.4682 k = 0.4706 0.4706-0.0000 ( 9206 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7903 -18.7903 -18.7895 -18.7895 -18.7850 -18.7850 -18.7842 -18.7842 -3.3577 -3.3577 -3.3434 -3.3434 -1.7913 -1.7913 -1.7872 -1.7872 -1.5660 -1.5660 -1.5578 -1.5578 -1.4288 -1.4288 -1.4277 -1.4277 -1.2752 -1.2752 -1.2741 -1.2741 -1.1417 -1.1417 -1.1253 -1.1253 0.8724 0.8724 0.8971 0.8971 3.0636 3.0636 3.2215 3.2215 3.3963 3.3963 3.5418 3.5418 6.6113 6.6113 6.6820 6.6820 7.1204 7.1204 7.2000 7.2000 12.3938 12.3938 k = 0.4608 0.4608-0.0000 ( 9204 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9657 -18.9657 -18.9656 -18.9656 -18.7903 -18.7903 -18.7894 -18.7894 -18.7851 -18.7851 -18.7841 -18.7841 -3.3697 -3.3697 -3.3444 -3.3444 -1.7916 -1.7916 -1.7850 -1.7850 -1.5698 -1.5698 -1.5590 -1.5590 -1.4285 -1.4285 -1.4266 -1.4266 -1.2767 -1.2767 -1.2752 -1.2752 -1.1485 -1.1485 -1.1226 -1.1226 0.8799 0.8799 0.9182 0.9182 3.0206 3.0206 3.2368 3.2368 3.3893 3.3893 3.5880 3.5880 6.5824 6.5824 6.6900 6.6900 7.1522 7.1522 7.2755 7.2755 12.3022 12.3022 k = 0.4510 0.4510-0.0000 ( 9206 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9657 -18.9657 -18.9656 -18.9656 -18.7904 -18.7904 -18.7892 -18.7892 -18.7852 -18.7852 -18.7840 -18.7840 -3.3850 -3.3850 -3.3457 -3.3457 -1.7920 -1.7920 -1.7821 -1.7821 -1.5742 -1.5742 -1.5608 -1.5608 -1.4281 -1.4281 -1.4254 -1.4254 -1.2786 -1.2786 -1.2766 -1.2766 -1.1567 -1.1567 -1.1193 -1.1193 0.8896 0.8896 0.9443 0.9443 2.9759 2.9759 3.2531 3.2531 3.3835 3.3835 3.6374 3.6374 6.5566 6.5566 6.7003 6.7003 7.1928 7.1928 7.3611 7.3611 12.1997 12.1997 k = 0.4412 0.4412-0.0000 ( 9210 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9657 -18.9657 -18.9655 -18.9655 -18.7905 -18.7905 -18.7891 -18.7891 -18.7854 -18.7854 -18.7839 -18.7839 -3.4036 -3.4036 -3.3473 -3.3473 -1.7924 -1.7924 -1.7788 -1.7788 -1.5791 -1.5791 -1.5632 -1.5632 -1.4276 -1.4276 -1.4238 -1.4238 -1.2808 -1.2808 -1.2783 -1.2783 -1.1659 -1.1659 -1.1157 -1.1157 0.9017 0.9017 0.9748 0.9748 2.9308 2.9308 3.2710 3.2710 3.3784 3.3784 3.6888 3.6888 6.5362 6.5362 6.7129 6.7129 7.2420 7.2420 7.4546 7.4546 12.0907 12.0907 k = 0.4314 0.4314-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9658 -18.9658 -18.9655 -18.9655 -18.7906 -18.7906 -18.7889 -18.7889 -18.7855 -18.7855 -18.7838 -18.7838 -3.4252 -3.4252 -3.3492 -3.3492 -1.7929 -1.7929 -1.7750 -1.7750 -1.5846 -1.5846 -1.5661 -1.5661 -1.4270 -1.4270 -1.4221 -1.4221 -1.2832 -1.2832 -1.2804 -1.2804 -1.1759 -1.1759 -1.1116 -1.1116 0.9160 0.9160 1.0092 1.0092 2.8862 2.8862 3.2904 3.2904 3.3744 3.3744 3.7414 3.7414 6.5226 6.5226 6.7278 6.7278 7.2997 7.2997 7.5544 7.5544 11.9784 11.9784 k = 0.4216 0.4216-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9658 -18.9658 -18.9654 -18.9654 -18.7906 -18.7906 -18.7887 -18.7887 -18.7856 -18.7856 -18.7837 -18.7837 -3.4499 -3.4499 -3.3514 -3.3514 -1.7934 -1.7934 -1.7708 -1.7708 -1.5905 -1.5905 -1.5694 -1.5694 -1.4264 -1.4264 -1.4202 -1.4202 -1.2858 -1.2858 -1.2828 -1.2828 -1.1863 -1.1863 -1.1074 -1.1074 0.9326 0.9326 1.0468 1.0468 2.8427 2.8427 3.3099 3.3099 3.3728 3.3728 3.7949 3.7949 6.5167 6.5167 6.7450 6.7450 7.3654 7.3654 7.6596 7.6596 11.8650 11.8650 k = 0.4118 0.4118-0.0000 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9658 -18.9658 -18.9653 -18.9653 -18.7907 -18.7907 -18.7886 -18.7886 -18.7858 -18.7858 -18.7836 -18.7836 -3.4774 -3.4774 -3.3539 -3.3539 -1.7939 -1.7939 -1.7662 -1.7662 -1.5968 -1.5968 -1.5730 -1.5730 -1.4257 -1.4257 -1.4181 -1.4181 -1.2886 -1.2886 -1.2856 -1.2856 -1.1968 -1.1968 -1.1030 -1.1030 0.9515 0.9515 1.0869 1.0869 2.8009 2.8009 3.3259 3.3259 3.3777 3.3777 3.8489 3.8489 6.5190 6.5190 6.7645 6.7645 7.4390 7.4390 7.7692 7.7692 11.7519 11.7519 k = 0.4020 0.4020-0.0000 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9659 -18.9659 -18.9652 -18.9652 -18.7907 -18.7907 -18.7884 -18.7884 -18.7859 -18.7859 -18.7835 -18.7835 -3.5077 -3.5077 -3.3567 -3.3567 -1.7945 -1.7945 -1.7615 -1.7615 -1.6035 -1.6035 -1.5767 -1.5767 -1.4249 -1.4249 -1.4159 -1.4159 -1.2914 -1.2914 -1.2888 -1.2888 -1.2071 -1.2071 -1.0986 -1.0986 0.9727 0.9727 1.1286 1.1286 2.7613 2.7613 3.3333 3.3333 3.3944 3.3944 3.9031 3.9031 6.5300 6.5300 6.7861 6.7861 7.5200 7.5200 7.8827 7.8827 11.6400 11.6400 k = 0.3922 0.3922-0.0000 ( 9224 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9659 -18.9659 -18.9652 -18.9652 -18.7908 -18.7908 -18.7882 -18.7882 -18.7861 -18.7861 -18.7834 -18.7834 -3.5404 -3.5404 -3.3598 -3.3598 -1.7952 -1.7952 -1.7567 -1.7567 -1.6104 -1.6104 -1.5804 -1.5804 -1.4241 -1.4241 -1.4134 -1.4134 -1.2943 -1.2943 -1.2923 -1.2923 -1.2169 -1.2169 -1.0943 -1.0943 0.9963 0.9963 1.1713 1.1713 2.7241 2.7241 3.3342 3.3342 3.4213 3.4213 3.9575 3.9575 6.5499 6.5499 6.8100 6.8100 7.6082 7.6082 7.9994 7.9994 11.5301 11.5301 k = 0.3824 0.3824-0.0000 ( 9228 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9659 -18.9659 -18.9651 -18.9651 -18.7908 -18.7908 -18.7880 -18.7880 -18.7862 -18.7862 -18.7833 -18.7833 -3.5754 -3.5754 -3.3632 -3.3632 -1.7958 -1.7958 -1.7519 -1.7519 -1.6176 -1.6176 -1.5841 -1.5841 -1.4233 -1.4233 -1.4108 -1.4108 -1.2976 -1.2976 -1.2959 -1.2959 -1.2260 -1.2260 -1.0903 -1.0903 1.0222 1.0222 1.2142 1.2142 2.6898 2.6898 3.3331 3.3331 3.4540 3.4540 4.0120 4.0120 6.5789 6.5789 6.8361 6.8361 7.7032 7.7032 8.1188 8.1188 11.4227 11.4227 k = 0.3725 0.3725-0.0000 ( 9222 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9660 -18.9660 -18.9650 -18.9650 -18.7908 -18.7908 -18.7878 -18.7878 -18.7863 -18.7863 -18.7832 -18.7832 -3.6126 -3.6126 -3.3668 -3.3668 -1.7965 -1.7965 -1.7472 -1.7472 -1.6249 -1.6249 -1.5876 -1.5876 -1.4224 -1.4224 -1.4080 -1.4080 -1.3019 -1.3019 -1.2989 -1.2989 -1.2343 -1.2343 -1.0866 -1.0866 1.0504 1.0504 1.2565 1.2565 2.6586 2.6586 3.3325 3.3325 3.4907 3.4907 4.0665 4.0665 6.6170 6.6170 6.8644 6.8644 7.8045 7.8045 8.2403 8.2403 11.3182 11.3182 k = 0.3627 0.3627-0.0000 ( 9228 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9660 -18.9660 -18.9649 -18.9649 -18.7908 -18.7908 -18.7876 -18.7876 -18.7865 -18.7865 -18.7831 -18.7831 -3.6516 -3.6516 -3.3707 -3.3707 -1.7971 -1.7971 -1.7427 -1.7427 -1.6322 -1.6322 -1.5910 -1.5910 -1.4216 -1.4216 -1.4050 -1.4050 -1.3070 -1.3070 -1.3014 -1.3014 -1.2415 -1.2415 -1.0834 -1.0834 1.0811 1.0811 1.2977 1.2977 2.6308 2.6308 3.3334 3.3334 3.5308 3.5308 4.1211 4.1211 6.6641 6.6641 6.8947 6.8947 7.9117 7.9117 8.3633 8.3633 11.2169 11.2169 k = 0.3529 0.3529-0.0000 ( 9232 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9661 -18.9661 -18.9648 -18.9648 -18.7908 -18.7908 -18.7874 -18.7874 -18.7866 -18.7866 -18.7831 -18.7831 -3.6923 -3.6923 -3.3749 -3.3749 -1.7977 -1.7977 -1.7386 -1.7386 -1.6396 -1.6396 -1.5941 -1.5941 -1.4207 -1.4207 -1.4018 -1.4018 -1.3126 -1.3126 -1.3038 -1.3038 -1.2477 -1.2477 -1.0808 -1.0808 1.1141 1.1141 1.3370 1.3370 2.6067 2.6067 3.3368 3.3368 3.5739 3.5739 4.1757 4.1757 6.7201 6.7201 6.9271 6.9271 8.0244 8.0244 8.4870 8.4870 11.1194 11.1194 k = 0.3431 0.3431-0.0000 ( 9228 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9661 -18.9661 -18.9646 -18.9646 -18.7908 -18.7908 -18.7872 -18.7872 -18.7867 -18.7867 -18.7830 -18.7830 -3.7345 -3.7345 -3.3794 -3.3794 -1.7983 -1.7983 -1.7348 -1.7348 -1.6468 -1.6468 -1.5970 -1.5970 -1.4200 -1.4200 -1.3984 -1.3984 -1.3186 -1.3186 -1.3059 -1.3059 -1.2528 -1.2528 -1.0787 -1.0787 1.1494 1.1494 1.3739 1.3739 2.5864 2.5864 3.3433 3.3433 3.6198 3.6198 4.2302 4.2302 6.7847 6.7847 6.9616 6.9616 8.1419 8.1419 8.6106 8.6106 11.0260 11.0260 k = 0.3333 0.3333-0.0000 ( 9218 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9661 -18.9661 -18.9645 -18.9645 -18.7908 -18.7908 -18.7870 -18.7870 -18.7868 -18.7868 -18.7829 -18.7829 -3.7778 -3.7778 -3.3841 -3.3841 -1.7989 -1.7989 -1.7316 -1.7316 -1.6539 -1.6539 -1.5997 -1.5997 -1.4194 -1.4194 -1.3946 -1.3946 -1.3249 -1.3249 -1.3077 -1.3077 -1.2569 -1.2569 -1.0774 -1.0774 1.1870 1.1870 1.4079 1.4079 2.5702 2.5702 3.3535 3.3535 3.6685 3.6685 4.2848 4.2848 6.8578 6.8578 6.9980 6.9980 8.2637 8.2637 8.7330 8.7330 10.9370 10.9370 k = 0.3235 0.3235-0.0000 ( 9214 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9662 -18.9662 -18.9643 -18.9643 -18.7907 -18.7907 -18.7870 -18.7870 -18.7867 -18.7867 -18.7828 -18.7828 -3.8221 -3.8221 -3.3891 -3.3891 -1.7994 -1.7994 -1.7289 -1.7289 -1.6609 -1.6609 -1.6022 -1.6022 -1.4190 -1.4190 -1.3906 -1.3906 -1.3311 -1.3311 -1.3093 -1.3093 -1.2601 -1.2601 -1.0768 -1.0768 1.2268 1.2268 1.4386 1.4386 2.5582 2.5582 3.3680 3.3680 3.7199 3.7199 4.3393 4.3393 6.9386 6.9386 7.0365 7.0365 8.3891 8.3891 8.8528 8.8528 10.8529 10.8529 k = 0.3137 0.3137-0.0000 ( 9216 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9662 -18.9662 -18.9642 -18.9642 -18.7907 -18.7907 -18.7871 -18.7871 -18.7865 -18.7865 -18.7828 -18.7828 -3.8671 -3.8671 -3.3943 -3.3943 -1.7998 -1.7998 -1.7267 -1.7267 -1.6676 -1.6676 -1.6046 -1.6046 -1.4189 -1.4189 -1.3863 -1.3863 -1.3372 -1.3372 -1.3107 -1.3107 -1.2625 -1.2625 -1.0771 -1.0771 1.2685 1.2685 1.4660 1.4660 2.5504 2.5504 3.3873 3.3873 3.7738 3.7738 4.3938 4.3938 7.0259 7.0259 7.0780 7.0780 8.5171 8.5171 8.9684 8.9684 10.7726 10.7726 k = 0.3039 0.3039-0.0000 ( 9230 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9663 -18.9663 -18.9641 -18.9641 -18.7907 -18.7907 -18.7872 -18.7872 -18.7863 -18.7863 -18.7827 -18.7827 -3.9126 -3.9126 -3.3998 -3.3998 -1.8002 -1.8002 -1.7251 -1.7251 -1.6741 -1.6741 -1.6069 -1.6069 -1.4192 -1.4192 -1.3817 -1.3817 -1.3429 -1.3429 -1.3117 -1.3117 -1.2641 -1.2641 -1.0781 -1.0781 1.3115 1.3115 1.4905 1.4905 2.5470 2.5470 3.4117 3.4117 3.8302 3.8302 4.4483 4.4483 7.1056 7.1056 7.1359 7.1359 8.6468 8.6468 9.0772 9.0772 10.6665 10.6665 k = 0.2941 0.2941-0.0000 ( 9230 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9663 -18.9663 -18.9640 -18.9640 -18.7906 -18.7906 -18.7873 -18.7873 -18.7861 -18.7861 -18.7827 -18.7827 -3.9585 -3.9585 -3.4054 -3.4054 -1.8005 -1.8005 -1.7241 -1.7241 -1.6804 -1.6804 -1.6092 -1.6092 -1.4200 -1.4200 -1.3768 -1.3768 -1.3482 -1.3482 -1.3125 -1.3125 -1.2650 -1.2650 -1.0800 -1.0800 1.3549 1.3549 1.5128 1.5128 2.5481 2.5481 3.4415 3.4415 3.8890 3.8890 4.5028 4.5028 7.1544 7.1544 7.2328 7.2328 8.7767 8.7767 9.1762 9.1762 10.4811 10.4811 k = 0.2843 0.2843-0.0000 ( 9230 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9664 -18.9664 -18.9638 -18.9638 -18.7906 -18.7906 -18.7875 -18.7875 -18.7859 -18.7859 -18.7826 -18.7826 -4.0045 -4.0045 -3.4113 -3.4113 -1.8008 -1.8008 -1.7235 -1.7235 -1.6864 -1.6864 -1.6116 -1.6116 -1.4213 -1.4213 -1.3716 -1.3716 -1.3528 -1.3528 -1.3131 -1.3131 -1.2651 -1.2651 -1.0828 -1.0828 1.3965 1.3965 1.5352 1.5352 2.5535 2.5535 3.4768 3.4768 3.9502 3.9502 4.5571 4.5571 7.1984 7.1984 7.3415 7.3415 8.9049 8.9049 9.2615 9.2615 10.2861 10.2861 k = 0.2745 0.2745-0.0000 ( 9238 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9664 -18.9664 -18.9637 -18.9637 -18.7905 -18.7905 -18.7876 -18.7876 -18.7857 -18.7857 -18.7826 -18.7826 -4.0504 -4.0504 -3.4173 -3.4173 -1.8009 -1.8009 -1.7234 -1.7234 -1.6922 -1.6922 -1.6141 -1.6141 -1.4233 -1.4233 -1.3664 -1.3664 -1.3567 -1.3567 -1.3134 -1.3134 -1.2645 -1.2645 -1.0863 -1.0863 1.4324 1.4324 1.5618 1.5618 2.5634 2.5634 3.5176 3.5176 4.0135 4.0135 4.6113 4.6113 7.2421 7.2421 7.4565 7.4565 9.0288 9.0288 9.3290 9.3290 10.0919 10.0919 k = 0.2647 0.2647-0.0000 ( 9241 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9665 -18.9665 -18.9635 -18.9635 -18.7905 -18.7905 -18.7877 -18.7877 -18.7855 -18.7855 -18.7826 -18.7826 -4.0960 -4.0960 -3.4235 -3.4235 -1.8010 -1.8010 -1.7236 -1.7236 -1.6977 -1.6977 -1.6168 -1.6168 -1.4258 -1.4258 -1.3617 -1.3617 -1.3592 -1.3592 -1.3135 -1.3135 -1.2632 -1.2632 -1.0906 -1.0906 1.4578 1.4578 1.5976 1.5976 2.5776 2.5776 3.5639 3.5639 4.0790 4.0790 4.6654 4.6654 7.2854 7.2854 7.5762 7.5762 9.1446 9.1446 9.3748 9.3748 9.9009 9.9009 k = 0.2549 0.2549-0.0000 ( 9237 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9665 -18.9665 -18.9634 -18.9634 -18.7904 -18.7904 -18.7878 -18.7878 -18.7853 -18.7853 -18.7825 -18.7825 -4.1412 -4.1412 -3.4298 -3.4298 -1.8010 -1.8010 -1.7242 -1.7242 -1.7030 -1.7030 -1.6198 -1.6198 -1.4288 -1.4288 -1.3628 -1.3628 -1.3553 -1.3553 -1.3134 -1.3134 -1.2612 -1.2612 -1.0956 -1.0956 1.4715 1.4715 1.6443 1.6443 2.5961 2.5961 3.6155 3.6155 4.1466 4.1466 4.7192 4.7192 7.3276 7.3276 7.6994 7.6994 9.2465 9.2465 9.3978 9.3978 9.7160 9.7160 k = 0.2451 0.2451-0.0000 ( 9239 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9666 -18.9666 -18.9632 -18.9632 -18.7904 -18.7904 -18.7879 -18.7879 -18.7851 -18.7851 -18.7825 -18.7825 -4.1857 -4.1857 -3.4362 -3.4362 -1.8010 -1.8010 -1.7251 -1.7251 -1.7081 -1.7081 -1.6229 -1.6229 -1.4322 -1.4322 -1.3648 -1.3648 -1.3501 -1.3501 -1.3131 -1.3131 -1.2585 -1.2585 -1.1012 -1.1012 1.4760 1.4760 1.6996 1.6996 2.6189 2.6189 3.6721 3.6721 4.2160 4.2160 4.7727 4.7727 7.3675 7.3675 7.8242 7.8242 9.3191 9.3191 9.4029 9.4029 9.5453 9.5453 k = 0.2353 0.2353-0.0000 ( 9239 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9666 -18.9666 -18.9631 -18.9631 -18.7903 -18.7903 -18.7880 -18.7880 -18.7849 -18.7849 -18.7824 -18.7824 -4.2296 -4.2296 -3.4427 -3.4427 -1.8009 -1.8009 -1.7263 -1.7263 -1.7130 -1.7130 -1.6262 -1.6262 -1.4359 -1.4359 -1.3663 -1.3663 -1.3452 -1.3452 -1.3127 -1.3127 -1.2550 -1.2550 -1.1074 -1.1074 1.4742 1.4742 1.7611 1.7611 2.6457 2.6457 3.7334 3.7334 4.2872 4.2872 4.8260 4.8260 7.4035 7.4035 7.9481 7.9481 9.2939 9.2939 9.3996 9.3996 9.4484 9.4484 k = 0.2255 0.2255-0.0000 ( 9223 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9666 -18.9666 -18.9629 -18.9629 -18.7902 -18.7902 -18.7881 -18.7881 -18.7846 -18.7846 -18.7824 -18.7824 -4.2725 -4.2725 -3.4493 -3.4493 -1.8008 -1.8008 -1.7277 -1.7277 -1.7176 -1.7176 -1.6297 -1.6297 -1.4396 -1.4396 -1.3675 -1.3675 -1.3405 -1.3405 -1.3122 -1.3122 -1.2509 -1.2509 -1.1139 -1.1139 1.4679 1.4679 1.8273 1.8273 2.6765 2.6765 3.7991 3.7991 4.3600 4.3600 4.8788 4.8788 7.4334 7.4334 8.0671 8.0671 9.1593 9.1593 9.3642 9.3642 9.4590 9.4590 k = 0.2157 0.2157-0.0000 ( 9213 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9667 -18.9667 -18.9627 -18.9627 -18.7901 -18.7901 -18.7881 -18.7881 -18.7844 -18.7844 -18.7823 -18.7823 -4.3144 -4.3144 -3.4559 -3.4559 -1.8006 -1.8006 -1.7294 -1.7294 -1.7220 -1.7220 -1.6332 -1.6332 -1.4434 -1.4434 -1.3685 -1.3685 -1.3363 -1.3363 -1.3117 -1.3117 -1.2463 -1.2463 -1.1207 -1.1207 1.4584 1.4584 1.8975 1.8975 2.7112 2.7112 3.8689 3.8689 4.4343 4.4343 4.9312 4.9312 7.4538 7.4538 8.1754 8.1754 9.0140 9.0140 9.3287 9.3287 9.4290 9.4290 k = 0.2059 0.2059-0.0000 ( 9211 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9667 -18.9667 -18.9626 -18.9626 -18.7900 -18.7900 -18.7882 -18.7882 -18.7842 -18.7842 -18.7823 -18.7823 -4.3551 -4.3551 -3.4625 -3.4625 -1.8004 -1.8004 -1.7314 -1.7314 -1.7260 -1.7260 -1.6369 -1.6369 -1.4470 -1.4470 -1.3693 -1.3693 -1.3325 -1.3325 -1.3111 -1.3111 -1.2412 -1.2412 -1.1276 -1.1276 1.4466 1.4466 1.9711 1.9711 2.7495 2.7495 3.9423 3.9423 4.5098 4.5098 4.9832 4.9832 7.4605 7.4605 8.2646 8.2646 8.8823 8.8823 9.2543 9.2543 9.3715 9.3715 k = 0.1961 0.1961-0.0000 ( 9213 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9624 -18.9624 -18.7900 -18.7900 -18.7883 -18.7883 -18.7841 -18.7841 -18.7823 -18.7823 -4.3946 -4.3946 -3.4691 -3.4691 -1.8002 -1.8002 -1.7341 -1.7341 -1.7293 -1.7293 -1.6405 -1.6405 -1.4504 -1.4504 -1.3700 -1.3700 -1.3292 -1.3292 -1.3105 -1.3105 -1.2361 -1.2361 -1.1343 -1.1343 1.4329 1.4329 2.0478 2.0478 2.7913 2.7913 4.0191 4.0191 4.5862 4.5862 5.0348 5.0348 7.4484 7.4484 8.3247 8.3247 8.7725 8.7725 9.1119 9.1119 9.3730 9.3730 k = 0.1863 0.1863-0.0000 ( 9203 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9623 -18.9623 -18.7899 -18.7899 -18.7883 -18.7883 -18.7839 -18.7839 -18.7823 -18.7823 -4.4328 -4.4328 -3.4756 -3.4756 -1.8000 -1.8000 -1.7374 -1.7374 -1.7320 -1.7320 -1.6442 -1.6442 -1.4535 -1.4535 -1.3707 -1.3707 -1.3264 -1.3264 -1.3100 -1.3100 -1.2310 -1.2310 -1.1405 -1.1405 1.4180 1.4180 2.1275 2.1275 2.8365 2.8365 4.0989 4.0989 4.6634 4.6634 5.0859 5.0859 7.4125 7.4125 8.3480 8.3480 8.6903 8.6903 8.9509 8.9509 9.4208 9.4208 k = 0.1765 0.1765-0.0000 ( 9203 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9621 -18.9621 -18.7898 -18.7898 -18.7884 -18.7884 -18.7837 -18.7837 -18.7822 -18.7822 -4.4694 -4.4694 -3.4820 -3.4820 -1.7999 -1.7999 -1.7411 -1.7411 -1.7342 -1.7342 -1.6477 -1.6477 -1.4562 -1.4562 -1.3713 -1.3713 -1.3242 -1.3242 -1.3096 -1.3096 -1.2263 -1.2263 -1.1459 -1.1459 1.4022 1.4022 2.2101 2.2101 2.8846 2.8846 4.1812 4.1812 4.7410 4.7410 5.1367 5.1367 7.3502 7.3502 8.3340 8.3340 8.6384 8.6384 8.7881 8.7881 9.5068 9.5068 k = 0.1667 0.1667-0.0000 ( 9223 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9669 -18.9669 -18.9620 -18.9620 -18.7898 -18.7898 -18.7884 -18.7884 -18.7836 -18.7836 -18.7823 -18.7823 -4.5046 -4.5046 -3.4883 -3.4883 -1.7997 -1.7997 -1.7449 -1.7449 -1.7363 -1.7363 -1.6511 -1.6511 -1.4586 -1.4586 -1.3719 -1.3719 -1.3225 -1.3225 -1.3092 -1.3092 -1.2225 -1.2225 -1.1502 -1.1502 1.3859 1.3859 2.2952 2.2952 2.9356 2.9356 4.2657 4.2657 4.8185 4.8185 5.1874 5.1874 7.2625 7.2625 8.2887 8.2887 8.6069 8.6069 8.6371 8.6371 9.5639 9.5639 k = 0.1569 0.1569-0.0000 ( 9217 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9669 -18.9669 -18.9619 -18.9619 -18.7897 -18.7897 -18.7885 -18.7885 -18.7835 -18.7835 -18.7822 -18.7822 -4.5381 -4.5381 -3.4944 -3.4944 -1.7996 -1.7996 -1.7487 -1.7487 -1.7384 -1.7384 -1.6543 -1.6543 -1.4605 -1.4605 -1.3726 -1.3726 -1.3217 -1.3217 -1.3087 -1.3087 -1.2199 -1.2199 -1.1528 -1.1528 1.3693 1.3693 2.3828 2.3828 2.9890 2.9890 4.3520 4.3520 4.8954 4.8954 5.2383 5.2383 7.1534 7.1534 8.2203 8.2203 8.4659 8.4659 8.6254 8.6254 9.5538 9.5538 k = 0.1471 0.1471-0.0000 ( 9215 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9618 -18.9618 -18.7896 -18.7896 -18.7885 -18.7885 -18.7834 -18.7834 -18.7822 -18.7822 -4.5699 -4.5699 -3.5004 -3.5004 -1.7996 -1.7996 -1.7523 -1.7523 -1.7404 -1.7404 -1.6573 -1.6573 -1.4620 -1.4620 -1.3733 -1.3733 -1.3217 -1.3217 -1.3081 -1.3081 -1.2186 -1.2186 -1.1537 -1.1537 1.3528 1.3528 2.4726 2.4726 3.0446 3.0446 4.4394 4.4394 4.9712 4.9712 5.2897 5.2897 7.0285 7.0285 8.1357 8.1357 8.3133 8.3133 8.6507 8.6507 9.5436 9.5436 k = 0.1373 0.1373-0.0000 ( 9219 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9670 -18.9670 -18.9616 -18.9616 -18.7896 -18.7896 -18.7885 -18.7885 -18.7833 -18.7833 -18.7822 -18.7822 -4.5999 -4.5999 -3.5061 -3.5061 -1.7997 -1.7997 -1.7559 -1.7559 -1.7423 -1.7423 -1.6601 -1.6601 -1.4630 -1.4630 -1.3740 -1.3740 -1.3228 -1.3228 -1.3073 -1.3073 -1.2186 -1.2186 -1.1527 -1.1527 1.3366 1.3366 2.5644 2.5644 3.1021 3.1021 4.5275 4.5275 5.0453 5.0453 5.3421 5.3421 6.8928 6.8928 8.0399 8.0399 8.1657 8.1657 8.6924 8.6924 9.5346 9.5346 k = 0.1275 0.1275-0.0000 ( 9199 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9670 -18.9670 -18.9615 -18.9615 -18.7896 -18.7896 -18.7885 -18.7885 -18.7831 -18.7831 -18.7821 -18.7821 -4.6281 -4.6281 -3.5116 -3.5116 -1.7998 -1.7998 -1.7594 -1.7594 -1.7443 -1.7443 -1.6627 -1.6627 -1.4636 -1.4636 -1.3747 -1.3747 -1.3248 -1.3248 -1.3063 -1.3063 -1.2196 -1.2196 -1.1502 -1.1502 1.3207 1.3207 2.6579 2.6579 3.1610 3.1610 4.6153 4.6153 5.1171 5.1171 5.3962 5.3962 6.7505 6.7505 7.9363 7.9363 8.0238 8.0238 8.7459 8.7459 9.5272 9.5272 k = 0.1176 0.1176-0.0000 ( 9201 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9670 -18.9670 -18.9614 -18.9614 -18.7895 -18.7895 -18.7885 -18.7885 -18.7831 -18.7831 -18.7821 -18.7821 -4.6544 -4.6544 -3.5168 -3.5168 -1.7999 -1.7999 -1.7627 -1.7627 -1.7461 -1.7461 -1.6650 -1.6650 -1.4637 -1.4637 -1.3755 -1.3755 -1.3278 -1.3278 -1.3053 -1.3053 -1.2212 -1.2212 -1.1468 -1.1468 1.3055 1.3055 2.7527 2.7527 3.2209 3.2209 4.7020 4.7020 5.1864 5.1864 5.4524 5.4524 6.6048 6.6048 7.8273 7.8273 7.8885 7.8885 8.8082 8.8082 9.5215 9.5215 k = 0.1078 0.1078-0.0000 ( 9217 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9613 -18.9613 -18.7895 -18.7895 -18.7885 -18.7885 -18.7831 -18.7831 -18.7820 -18.7820 -4.6788 -4.6788 -3.5217 -3.5217 -1.8002 -1.8002 -1.7657 -1.7657 -1.7479 -1.7479 -1.6670 -1.6670 -1.4633 -1.4633 -1.3764 -1.3764 -1.3315 -1.3315 -1.3042 -1.3042 -1.2228 -1.2228 -1.1428 -1.1428 1.2911 1.2911 2.8482 2.8482 3.2813 3.2813 4.7862 4.7862 5.2531 5.2531 5.5109 5.5109 6.4581 6.4581 7.7147 7.7147 7.7600 7.7600 8.8768 8.8768 9.5016 9.5016 k = 0.0980 0.0980-0.0000 ( 9223 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9613 -18.9613 -18.7895 -18.7895 -18.7884 -18.7884 -18.7830 -18.7830 -18.7820 -18.7820 -4.7012 -4.7012 -3.5263 -3.5263 -1.8006 -1.8006 -1.7686 -1.7686 -1.7496 -1.7496 -1.6689 -1.6689 -1.4625 -1.4625 -1.3773 -1.3773 -1.3358 -1.3358 -1.3031 -1.3031 -1.2244 -1.2244 -1.1385 -1.1385 1.2776 1.2776 2.9439 2.9439 3.3419 3.3419 4.8662 4.8662 5.3182 5.3182 5.5716 5.5716 6.3125 6.3125 7.6003 7.6003 7.6386 7.6386 8.9498 8.9498 9.3899 9.3899 k = 0.0882 0.0882-0.0000 ( 9227 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9612 -18.9612 -18.7895 -18.7895 -18.7884 -18.7884 -18.7830 -18.7830 -18.7820 -18.7820 -4.7216 -4.7216 -3.5306 -3.5306 -1.8010 -1.8010 -1.7712 -1.7712 -1.7512 -1.7512 -1.6704 -1.6704 -1.4613 -1.4613 -1.3784 -1.3784 -1.3404 -1.3404 -1.3021 -1.3021 -1.2257 -1.2257 -1.1342 -1.1342 1.2650 1.2650 3.0388 3.0388 3.4020 3.4020 4.9401 4.9401 5.3831 5.3831 5.6339 5.6339 6.1695 6.1695 7.4853 7.4853 7.5249 7.5249 9.0254 9.0254 9.2820 9.2820 k = 0.0784 0.0784-0.0000 ( 9233 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9611 -18.9611 -18.7896 -18.7896 -18.7884 -18.7884 -18.7830 -18.7830 -18.7819 -18.7819 -4.7400 -4.7400 -3.5344 -3.5344 -1.8015 -1.8015 -1.7736 -1.7736 -1.7526 -1.7526 -1.6718 -1.6718 -1.4597 -1.4597 -1.3797 -1.3797 -1.3452 -1.3452 -1.3012 -1.3012 -1.2268 -1.2268 -1.1301 -1.1301 1.2536 1.2536 3.1319 3.1319 3.4612 3.4612 5.0060 5.0060 5.4495 5.4495 5.6969 5.6969 6.0307 6.0307 7.3698 7.3698 7.4202 7.4202 9.1008 9.1008 9.1825 9.1825 k = 0.0686 0.0686-0.0000 ( 9235 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9610 -18.9610 -18.7896 -18.7896 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.7562 -4.7562 -3.5379 -3.5379 -1.8020 -1.8020 -1.7757 -1.7757 -1.7539 -1.7539 -1.6730 -1.6730 -1.4578 -1.4578 -1.3813 -1.3813 -1.3498 -1.3498 -1.3003 -1.3003 -1.2276 -1.2276 -1.1262 -1.1262 1.2433 1.2433 3.2214 3.2214 3.5191 3.5191 5.0622 5.0622 5.5183 5.5183 5.7595 5.7595 5.8979 5.8979 7.2543 7.2543 7.3259 7.3259 9.0833 9.0833 9.1834 9.1834 k = 0.0588 0.0588-0.0000 ( 9239 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9610 -18.9610 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7818 -18.7818 -4.7704 -4.7704 -3.5409 -3.5409 -1.8026 -1.8026 -1.7775 -1.7775 -1.7551 -1.7551 -1.6739 -1.6739 -1.4556 -1.4556 -1.3832 -1.3832 -1.3540 -1.3540 -1.2996 -1.2996 -1.2282 -1.2282 -1.1228 -1.1228 1.2343 1.2343 3.3055 3.3055 3.5752 3.5752 5.1081 5.1081 5.5892 5.5892 5.7732 5.7732 5.8211 5.8211 7.1399 7.1399 7.2425 7.2425 8.9998 8.9998 9.2571 9.2571 k = 0.0490 0.0490-0.0000 ( 9251 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7818 -18.7818 -4.7824 -4.7824 -3.5435 -3.5435 -1.8031 -1.8031 -1.7790 -1.7790 -1.7560 -1.7560 -1.6747 -1.6747 -1.4532 -1.4532 -1.3855 -1.3855 -1.3577 -1.3577 -1.2990 -1.2990 -1.2286 -1.2286 -1.1198 -1.1198 1.2266 1.2266 3.3816 3.3816 3.6290 3.6290 5.1440 5.1440 5.6449 5.6449 5.6741 5.6741 5.8812 5.8812 7.0281 7.0281 7.1707 7.1707 8.9252 8.9252 9.3277 9.3277 k = 0.0392 0.0392-0.0000 ( 9251 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7922 -4.7922 -3.5456 -3.5456 -1.8037 -1.8037 -1.7801 -1.7801 -1.7568 -1.7568 -1.6753 -1.6753 -1.4508 -1.4508 -1.3880 -1.3880 -1.3605 -1.3605 -1.2984 -1.2984 -1.2289 -1.2289 -1.1173 -1.1173 1.2202 1.2202 3.4470 3.4470 3.6795 3.6795 5.1709 5.1709 5.5533 5.5533 5.7316 5.7316 5.9402 5.9402 6.9210 6.9210 7.1111 7.1111 8.8617 8.8617 9.3913 9.3913 k = 0.0294 0.0294-0.0000 ( 9255 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7999 -4.7999 -3.5473 -3.5473 -1.8041 -1.8041 -1.7811 -1.7811 -1.7575 -1.7575 -1.6758 -1.6758 -1.4486 -1.4486 -1.3906 -1.3906 -1.3626 -1.3626 -1.2980 -1.2980 -1.2291 -1.2291 -1.1153 -1.1153 1.2152 1.2152 3.4993 3.4993 3.7250 3.7250 5.1900 5.1900 5.4677 5.4677 5.7903 5.7903 5.9983 5.9983 6.8218 6.8218 7.0641 7.0641 8.8107 8.8107 9.4436 9.4436 k = 0.0196 0.0196-0.0000 ( 9263 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.8054 -4.8054 -3.5485 -3.5485 -1.8044 -1.8044 -1.7817 -1.7817 -1.7579 -1.7579 -1.6762 -1.6762 -1.4467 -1.4467 -1.3929 -1.3929 -1.3640 -1.3640 -1.2977 -1.2977 -1.2292 -1.2292 -1.1138 -1.1138 1.2116 1.2116 3.5371 3.5371 3.7621 3.7621 5.2027 5.2027 5.4020 5.4020 5.8351 5.8351 6.0531 6.0531 6.7365 6.7365 7.0302 7.0302 8.7733 8.7733 9.4798 9.4798 k = 0.0098 0.0098-0.0000 ( 9267 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8087 -4.8087 -3.5492 -3.5492 -1.8047 -1.8047 -1.7821 -1.7821 -1.7582 -1.7582 -1.6763 -1.6763 -1.4454 -1.4454 -1.3945 -1.3945 -1.3648 -1.3648 -1.2975 -1.2975 -1.2292 -1.2292 -1.1130 -1.1130 1.2094 1.2094 3.5598 3.5598 3.7867 3.7867 5.2099 5.2099 5.3605 5.3605 5.8625 5.8625 6.0962 6.0962 6.6753 6.6753 7.0097 7.0097 8.7504 8.7504 9.4984 9.4984 k = 0.0000 0.0000 0.0000 ( 9257 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8098 -4.8098 -3.5495 -3.5495 -1.8047 -1.8047 -1.7822 -1.7822 -1.7583 -1.7583 -1.6764 -1.6764 -1.4449 -1.4449 -1.3950 -1.3950 -1.3651 -1.3651 -1.2975 -1.2975 -1.2293 -1.2293 -1.1127 -1.1127 1.2087 1.2087 3.5673 3.5673 3.7954 3.7954 5.2123 5.2123 5.3462 5.3462 5.8717 5.8717 6.1133 6.1133 6.6522 6.6522 7.0029 7.0029 8.7427 8.7427 9.5036 9.5036 k = 0.0000 0.0000 0.0000 ( 9257 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8098 -4.8098 -3.5495 -3.5495 -1.8047 -1.8047 -1.7822 -1.7822 -1.7583 -1.7583 -1.6764 -1.6764 -1.4449 -1.4449 -1.3950 -1.3950 -1.3651 -1.3651 -1.2975 -1.2975 -1.2293 -1.2293 -1.1127 -1.1127 1.2087 1.2087 3.5673 3.5673 3.7954 3.7954 5.2123 5.2123 5.3462 5.3462 5.8717 5.8717 6.1133 6.1133 6.6522 6.6522 7.0029 7.0029 8.7427 8.7427 9.5036 9.5036 k = 0.0000 0.0000 0.0141 ( 9269 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7897 -18.7897 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8094 -4.8094 -3.5503 -3.5503 -1.8047 -1.8047 -1.7822 -1.7822 -1.7583 -1.7583 -1.6765 -1.6765 -1.4453 -1.4453 -1.3949 -1.3949 -1.3651 -1.3651 -1.2975 -1.2975 -1.2293 -1.2293 -1.1127 -1.1127 1.2119 1.2119 3.5677 3.5677 3.7958 3.7958 5.2018 5.2018 5.3464 5.3464 5.8620 5.8620 6.1116 6.1116 6.6719 6.6719 7.0041 7.0041 8.7397 8.7397 9.5076 9.5076 k = 0.0000 0.0000 0.0282 ( 9253 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9609 -18.9609 -18.7896 -18.7896 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8081 -4.8081 -3.5525 -3.5525 -1.8047 -1.8047 -1.7822 -1.7822 -1.7581 -1.7581 -1.6769 -1.6769 -1.4464 -1.4464 -1.3946 -1.3946 -1.3651 -1.3651 -1.2975 -1.2975 -1.2293 -1.2293 -1.1129 -1.1129 1.2214 1.2214 3.5688 3.5688 3.7969 3.7969 5.1707 5.1707 5.3471 5.3471 5.8364 5.8364 6.1066 6.1066 6.7270 6.7270 7.0075 7.0075 8.7307 8.7307 9.5195 9.5195 k = 0.0000 0.0000 0.0423 ( 9241 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7882 -18.7882 -18.7830 -18.7830 -18.7817 -18.7817 -4.8061 -4.8061 -3.5563 -3.5563 -1.8047 -1.8047 -1.7822 -1.7822 -1.7579 -1.7579 -1.6775 -1.6775 -1.4482 -1.4482 -1.3942 -1.3942 -1.3651 -1.3651 -1.2975 -1.2975 -1.2292 -1.2292 -1.1131 -1.1131 1.2370 1.2370 3.5707 3.5707 3.7987 3.7987 5.1201 5.1201 5.3481 5.3481 5.8026 5.8026 6.0986 6.0986 6.8089 6.8089 7.0133 7.0133 8.7162 8.7162 9.5393 9.5393 k = 0.0000 0.0000 0.0565 ( 9249 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.8033 -4.8033 -3.5614 -3.5614 -1.8047 -1.8047 -1.7822 -1.7822 -1.7577 -1.7577 -1.6784 -1.6784 -1.4507 -1.4507 -1.3936 -1.3936 -1.3651 -1.3651 -1.2975 -1.2975 -1.2292 -1.2292 -1.1134 -1.1134 1.2587 1.2587 3.5733 3.5733 3.8012 3.8012 5.0522 5.0522 5.3495 5.3495 5.7667 5.7667 6.0875 6.0875 6.9090 6.9090 7.0216 7.0216 8.6967 8.6967 9.5667 9.5667 k = 0.0000 0.0000 0.0706 ( 9249 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7998 -4.7998 -3.5678 -3.5678 -1.8047 -1.8047 -1.7823 -1.7823 -1.7573 -1.7573 -1.6795 -1.6795 -1.4536 -1.4536 -1.3930 -1.3930 -1.3651 -1.3651 -1.2975 -1.2975 -1.2292 -1.2292 -1.1138 -1.1138 1.2861 1.2861 3.5766 3.5766 3.8043 3.8043 4.9702 4.9702 5.3512 5.3512 5.7321 5.7321 6.0739 6.0739 7.0142 7.0142 7.0389 7.0389 8.6731 8.6731 9.6013 9.6013 k = 0.0000 0.0000 0.0847 ( 9245 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7956 -4.7956 -3.5754 -3.5754 -1.8047 -1.8047 -1.7823 -1.7823 -1.7568 -1.7568 -1.6808 -1.6808 -1.4568 -1.4568 -1.3924 -1.3924 -1.3651 -1.3651 -1.2974 -1.2974 -1.2292 -1.2292 -1.1142 -1.1142 1.3190 1.3190 3.5804 3.5804 3.8080 3.8080 4.8776 4.8776 5.3533 5.3533 5.6999 5.6999 6.0581 6.0581 7.0405 7.0405 7.1449 7.1449 8.6463 8.6463 9.6429 9.6429 k = 0.0000 0.0000 0.0988 ( 9229 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7895 -18.7895 -18.7883 -18.7883 -18.7829 -18.7829 -18.7817 -18.7817 -4.7908 -4.7908 -3.5840 -3.5840 -1.8047 -1.8047 -1.7823 -1.7823 -1.7563 -1.7563 -1.6823 -1.6823 -1.4604 -1.4604 -1.3917 -1.3917 -1.3651 -1.3651 -1.2974 -1.2974 -1.2292 -1.2292 -1.1147 -1.1147 1.3569 1.3569 3.5848 3.5848 3.8122 3.8122 4.7775 4.7775 5.3557 5.3557 5.6702 5.6702 6.0404 6.0404 7.0546 7.0546 7.2694 7.2694 8.6170 8.6170 9.6909 9.6909 k = 0.0000 0.0000 0.1129 ( 9245 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7856 -4.7856 -3.5935 -3.5935 -1.8047 -1.8047 -1.7823 -1.7823 -1.7557 -1.7557 -1.6840 -1.6840 -1.4640 -1.4640 -1.3911 -1.3911 -1.3651 -1.3651 -1.2974 -1.2974 -1.2292 -1.2292 -1.1151 -1.1151 1.3993 1.3993 3.5896 3.5896 3.8169 3.8169 4.6727 4.6727 5.3582 5.3582 5.6424 5.6424 6.0213 6.0213 7.0699 7.0699 7.3968 7.3968 8.5863 8.5863 9.7448 9.7448 k = 0.0000 0.0000 0.1270 ( 9237 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7799 -4.7799 -3.6036 -3.6036 -1.8047 -1.8047 -1.7823 -1.7823 -1.7550 -1.7550 -1.6859 -1.6859 -1.4678 -1.4678 -1.3906 -1.3906 -1.3651 -1.3651 -1.2974 -1.2974 -1.2292 -1.2292 -1.1156 -1.1156 1.4457 1.4457 3.5947 3.5947 3.8218 3.8218 4.5655 4.5655 5.3610 5.3610 5.6163 5.6163 6.0012 6.0012 7.0863 7.0863 7.5248 7.5248 8.5548 8.5548 9.8040 9.8040 k = 0.0000 0.0000 0.1411 ( 9233 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7739 -4.7739 -3.6141 -3.6141 -1.8047 -1.8047 -1.7824 -1.7824 -1.7543 -1.7543 -1.6878 -1.6878 -1.4715 -1.4715 -1.3901 -1.3901 -1.3651 -1.3651 -1.2974 -1.2974 -1.2292 -1.2292 -1.1161 -1.1161 1.4955 1.4955 3.6001 3.6001 3.8270 3.8270 4.4577 4.4577 5.3638 5.3638 5.5916 5.5916 5.9807 5.9807 7.1037 7.1037 7.6517 7.6517 8.5234 8.5234 9.8678 9.8678 k = 0.0000 0.0000 0.1553 ( 9233 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7896 -18.7896 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7678 -4.7678 -3.6248 -3.6248 -1.8047 -1.8047 -1.7824 -1.7824 -1.7535 -1.7535 -1.6899 -1.6899 -1.4750 -1.4750 -1.3896 -1.3896 -1.3650 -1.3650 -1.2974 -1.2974 -1.2292 -1.2292 -1.1166 -1.1166 1.5480 1.5480 3.6056 3.6056 3.8323 3.8323 4.3511 4.3511 5.3667 5.3667 5.5683 5.5683 5.9602 5.9602 7.1218 7.1218 7.7758 7.7758 8.4928 8.4928 9.9353 9.9353 k = 0.0000 0.0000 0.1694 ( 9233 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7895 -18.7895 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7617 -4.7617 -3.6355 -3.6355 -1.8047 -1.8047 -1.7824 -1.7824 -1.7526 -1.7526 -1.6920 -1.6920 -1.4784 -1.4784 -1.3892 -1.3892 -1.3650 -1.3650 -1.2974 -1.2974 -1.2292 -1.2292 -1.1170 -1.1170 1.6023 1.6023 3.6112 3.6112 3.8376 3.8376 4.2469 4.2469 5.3696 5.3696 5.5465 5.5465 5.9401 5.9401 7.1403 7.1403 7.8954 7.8954 8.4634 8.4634 10.0055 10.0055 k = 0.0000 0.0000 0.1835 ( 9225 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9608 -18.9608 -18.7895 -18.7895 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7556 -4.7556 -3.6460 -3.6460 -1.8047 -1.8047 -1.7824 -1.7824 -1.7518 -1.7518 -1.6941 -1.6941 -1.4816 -1.4816 -1.3888 -1.3888 -1.3650 -1.3650 -1.2974 -1.2974 -1.2292 -1.2292 -1.1174 -1.1174 1.6574 1.6574 3.6166 3.6166 3.8428 3.8428 4.1467 4.1467 5.3724 5.3724 5.5262 5.5262 5.9209 5.9209 7.1586 7.1586 8.0087 8.0087 8.4359 8.4359 10.0770 10.0770 k = 0.0000 0.0000 0.1976 ( 9193 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9607 -18.9607 -18.7895 -18.7895 -18.7882 -18.7882 -18.7829 -18.7829 -18.7815 -18.7815 -4.7498 -4.7498 -3.6559 -3.6559 -1.8047 -1.8047 -1.7825 -1.7825 -1.7509 -1.7509 -1.6962 -1.6962 -1.4844 -1.4844 -1.3885 -1.3885 -1.3650 -1.3650 -1.2974 -1.2974 -1.2292 -1.2292 -1.1178 -1.1178 1.7121 1.7121 3.6217 3.6217 3.8478 3.8478 4.0518 4.0518 5.3751 5.3751 5.5077 5.5077 5.9029 5.9029 7.1765 7.1765 8.1139 8.1139 8.4106 8.4106 10.1445 10.1445 k = 0.0000 0.0000 0.2117 ( 9209 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9607 -18.9607 -18.7895 -18.7895 -18.7883 -18.7883 -18.7829 -18.7829 -18.7815 -18.7815 -4.7444 -4.7444 -3.6651 -3.6651 -1.8047 -1.8047 -1.7825 -1.7825 -1.7500 -1.7500 -1.6982 -1.6982 -1.4869 -1.4869 -1.3882 -1.3882 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1181 -1.1181 1.7652 1.7652 3.6266 3.6266 3.8523 3.8523 3.9637 3.9637 5.3775 5.3775 5.4911 5.4911 5.8865 5.8865 7.1933 7.1933 8.2089 8.2089 8.3880 8.3880 10.1448 10.1448 k = 0.0000 0.0000 0.2258 ( 9209 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9672 -18.9672 -18.9607 -18.9607 -18.7895 -18.7895 -18.7883 -18.7883 -18.7829 -18.7829 -18.7816 -18.7816 -4.7396 -4.7396 -3.6733 -3.6733 -1.8047 -1.8047 -1.7825 -1.7825 -1.7491 -1.7491 -1.7000 -1.7000 -1.4891 -1.4891 -1.3880 -1.3880 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1184 -1.1184 1.8150 1.8150 3.6309 3.6309 3.8564 3.8564 3.8841 3.8841 5.3797 5.3797 5.4766 5.4766 5.8721 5.8721 7.2087 7.2087 8.2918 8.2918 8.3683 8.3683 10.1306 10.1306 k = 0.0000 0.0000 0.2399 ( 9213 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7895 -18.7895 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7354 -4.7354 -3.6803 -3.6803 -1.8047 -1.8047 -1.7825 -1.7825 -1.7484 -1.7484 -1.7016 -1.7016 -1.4909 -1.4909 -1.3878 -1.3878 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1186 -1.1186 1.8597 1.8597 3.6347 3.6347 3.8149 3.8149 3.8599 3.8599 5.3816 5.3816 5.4644 5.4644 5.8599 5.8599 7.2221 7.2221 8.3519 8.3519 8.3610 8.3610 10.1284 10.1284 k = 0.0000 0.0000 0.2541 ( 9201 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9607 -18.9607 -18.7894 -18.7894 -18.7883 -18.7883 -18.7829 -18.7829 -18.7816 -18.7816 -4.7320 -4.7320 -3.6860 -3.6860 -1.8047 -1.8047 -1.7825 -1.7825 -1.7477 -1.7477 -1.7030 -1.7030 -1.4923 -1.4923 -1.3877 -1.3877 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1188 -1.1188 1.8974 1.8974 3.6379 3.6379 3.7580 3.7580 3.8628 3.8628 5.3831 5.3831 5.4548 5.4548 5.8501 5.8501 7.2331 7.2331 8.3389 8.3389 8.4154 8.4154 10.1365 10.1365 k = 0.0000 0.0000 0.2682 ( 9184 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7295 -4.7295 -3.6901 -3.6901 -1.8047 -1.8047 -1.7825 -1.7825 -1.7472 -1.7472 -1.7040 -1.7040 -1.4934 -1.4934 -1.3876 -1.3876 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1189 -1.1189 1.9261 1.9261 3.6406 3.6406 3.7152 3.7152 3.8649 3.8649 5.3842 5.3842 5.4478 5.4478 5.8430 5.8430 7.2413 7.2413 8.3296 8.3296 8.4543 8.4543 10.1504 10.1504 k = 0.0000 0.0000 0.2823 ( 9172 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9607 -18.9607 -18.7893 -18.7893 -18.7882 -18.7882 -18.7829 -18.7829 -18.7815 -18.7815 -4.7279 -4.7279 -3.6927 -3.6927 -1.8047 -1.8047 -1.7825 -1.7825 -1.7469 -1.7469 -1.7046 -1.7046 -1.4940 -1.4940 -1.3875 -1.3875 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1190 -1.1190 1.9442 1.9442 3.6426 3.6426 3.6883 3.6883 3.8661 3.8661 5.3849 5.3849 5.4436 5.4436 5.8387 5.8387 7.2464 7.2464 8.3239 8.3239 8.4776 8.4776 10.1635 10.1635 k = 0.0000 0.0000 0.2964 ( 9180 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9608 -18.9608 -18.7893 -18.7893 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7274 -4.7274 -3.6935 -3.6935 -1.8047 -1.8047 -1.7825 -1.7825 -1.7468 -1.7468 -1.7048 -1.7048 -1.4942 -1.4942 -1.3875 -1.3875 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1190 -1.1190 1.9503 1.9503 3.6436 3.6436 3.6789 3.6789 3.8666 3.8666 5.3851 5.3851 5.4421 5.4421 5.8373 5.8373 7.2481 7.2481 8.3220 8.3220 8.4854 8.4854 10.1688 10.1688 k = 0.0000 0.0000 0.2964 ( 9180 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9608 -18.9608 -18.7893 -18.7893 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7274 -4.7274 -3.6935 -3.6935 -1.8047 -1.8047 -1.7825 -1.7825 -1.7468 -1.7468 -1.7048 -1.7048 -1.4942 -1.4942 -1.3875 -1.3875 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1190 -1.1190 1.9503 1.9503 3.6436 3.6436 3.6789 3.6789 3.8666 3.8666 5.3851 5.3851 5.4421 5.4421 5.8373 5.8373 7.2481 7.2481 8.3220 8.3220 8.4854 8.4854 10.1688 10.1688 k = 0.0000 0.0139 0.2964 ( 9176 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9607 -18.9607 -18.7893 -18.7893 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7263 -4.7263 -3.6931 -3.6931 -1.8047 -1.8047 -1.7824 -1.7824 -1.7468 -1.7468 -1.7046 -1.7046 -1.4941 -1.4941 -1.3873 -1.3873 -1.3649 -1.3649 -1.2974 -1.2974 -1.2292 -1.2292 -1.1193 -1.1193 1.9499 1.9499 3.6095 3.6095 3.6980 3.6980 3.8673 3.8673 5.3997 5.3997 5.4376 5.4376 5.8317 5.8317 7.2544 7.2544 8.3301 8.3301 8.4916 8.4916 10.1296 10.1296 k = 0.0000 0.0278 0.2964 ( 9188 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7231 -4.7231 -3.6920 -3.6920 -1.8044 -1.8044 -1.7820 -1.7820 -1.7468 -1.7468 -1.7040 -1.7040 -1.4939 -1.4939 -1.3867 -1.3867 -1.3646 -1.3646 -1.2975 -1.2975 -1.2294 -1.2294 -1.1203 -1.1203 1.9485 1.9485 3.5445 3.5445 3.7195 3.7195 3.8698 3.8698 5.4234 5.4234 5.4416 5.4416 5.8163 5.8163 7.2738 7.2738 8.3505 8.3505 8.5134 8.5134 10.0389 10.0389 k = 0.0000 0.0417 0.2964 ( 9194 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7177 -4.7177 -3.6901 -3.6901 -1.8041 -1.8041 -1.7814 -1.7814 -1.7467 -1.7467 -1.7029 -1.7029 -1.4936 -1.4936 -1.3857 -1.3857 -1.3641 -1.3641 -1.2978 -1.2978 -1.2295 -1.2295 -1.1218 -1.1218 1.9462 1.9462 3.4592 3.4592 3.7373 3.7373 3.8746 3.8746 5.3986 5.3986 5.5051 5.5051 5.7944 5.7944 7.3065 7.3065 8.3732 8.3732 8.5585 8.5585 9.9267 9.9267 k = 0.0000 0.0556 0.2964 ( 9194 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7102 -4.7102 -3.6875 -3.6875 -1.8035 -1.8035 -1.7805 -1.7805 -1.7467 -1.7467 -1.7015 -1.7015 -1.4932 -1.4932 -1.3845 -1.3845 -1.3632 -1.3632 -1.2982 -1.2982 -1.2297 -1.2297 -1.1240 -1.1240 1.9429 1.9429 3.3566 3.3566 3.7537 3.7537 3.8818 3.8818 5.3614 5.3614 5.5838 5.5838 5.7704 5.7704 7.3535 7.3535 8.3898 8.3898 8.6319 8.6319 9.8051 9.8051 k = 0.0000 0.0694 0.2964 ( 9194 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9609 -18.9609 -18.7894 -18.7894 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.7006 -4.7006 -3.6841 -3.6841 -1.8029 -1.8029 -1.7794 -1.7794 -1.7465 -1.7465 -1.6997 -1.6997 -1.4926 -1.4926 -1.3832 -1.3832 -1.3619 -1.3619 -1.2988 -1.2988 -1.2299 -1.2299 -1.1268 -1.1268 1.9384 1.9384 3.2407 3.2407 3.7704 3.7704 3.8915 3.8915 5.3111 5.3111 5.6699 5.6699 5.7493 5.7493 7.4154 7.4154 8.4000 8.4000 8.7301 8.7301 9.6793 9.6793 k = 0.0000 0.0833 0.2964 ( 9210 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9610 -18.9610 -18.7894 -18.7894 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.6889 -4.6889 -3.6802 -3.6802 -1.8020 -1.8020 -1.7780 -1.7780 -1.7463 -1.7463 -1.6976 -1.6976 -1.4919 -1.4919 -1.3820 -1.3820 -1.3601 -1.3601 -1.2994 -1.2994 -1.2301 -1.2301 -1.1301 -1.1301 1.9325 1.9325 3.1150 3.1150 3.7883 3.7883 3.9037 3.9037 5.2486 5.2486 5.7221 5.7221 5.7693 5.7693 7.4933 7.4933 8.4056 8.4056 8.8464 8.8464 9.5525 9.5525 k = 0.0000 0.0972 0.2964 ( 9202 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9610 -18.9610 -18.7894 -18.7894 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.6751 -4.6751 -3.6756 -3.6756 -1.8010 -1.8010 -1.7764 -1.7764 -1.7460 -1.7460 -1.6953 -1.6953 -1.4910 -1.4910 -1.3809 -1.3809 -1.3577 -1.3577 -1.3002 -1.3002 -1.2302 -1.2302 -1.1339 -1.1339 1.9250 1.9250 2.9827 2.9827 3.8080 3.8080 3.9183 3.9183 5.1761 5.1761 5.7114 5.7114 5.8554 5.8554 7.5877 7.5877 8.4080 8.4080 8.9726 8.9726 9.4285 9.4285 k = 0.0000 0.1111 0.2964 ( 9208 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9611 -18.9611 -18.7894 -18.7894 -18.7884 -18.7884 -18.7830 -18.7830 -18.7819 -18.7819 -4.6592 -4.6592 -3.6705 -3.6705 -1.7998 -1.7998 -1.7746 -1.7746 -1.7457 -1.7457 -1.6927 -1.6927 -1.4899 -1.4899 -1.3801 -1.3801 -1.3549 -1.3549 -1.3010 -1.3010 -1.2302 -1.2302 -1.1383 -1.1383 1.9156 1.9156 2.8463 2.8463 3.8297 3.8297 3.9351 3.9351 5.0967 5.0967 5.7014 5.7014 5.9403 5.9403 7.6987 7.6987 8.4077 8.4077 9.0904 9.0904 9.3219 9.3219 k = 0.0000 0.1250 0.2964 ( 9210 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9612 -18.9612 -18.7894 -18.7894 -18.7885 -18.7885 -18.7830 -18.7830 -18.7819 -18.7819 -4.6414 -4.6414 -3.6649 -3.6649 -1.7984 -1.7984 -1.7725 -1.7725 -1.7451 -1.7451 -1.6899 -1.6899 -1.4886 -1.4886 -1.3795 -1.3795 -1.3515 -1.3515 -1.3020 -1.3020 -1.2300 -1.2300 -1.1430 -1.1430 1.9042 1.9042 2.7077 2.7077 3.8535 3.8535 3.9541 3.9541 5.0134 5.0134 5.6942 5.6942 6.0193 6.0193 7.8259 7.8259 8.4044 8.4044 9.1052 9.1052 9.3214 9.3214 k = 0.0000 0.1389 0.2964 ( 9202 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9612 -18.9612 -18.7894 -18.7894 -18.7885 -18.7885 -18.7830 -18.7830 -18.7820 -18.7820 -4.6216 -4.6216 -3.6589 -3.6589 -1.7968 -1.7968 -1.7703 -1.7703 -1.7445 -1.7445 -1.6869 -1.6869 -1.4871 -1.4871 -1.3792 -1.3792 -1.3480 -1.3480 -1.3031 -1.3031 -1.2295 -1.2295 -1.1481 -1.1481 1.8902 1.8902 2.5684 2.5684 3.8794 3.8794 3.9750 3.9750 4.9289 4.9289 5.6890 5.6890 6.0911 6.0911 7.9677 7.9677 8.3981 8.3981 9.0062 9.0062 9.4288 9.4288 k = 0.0000 0.1528 0.2964 ( 9202 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9613 -18.9613 -18.7894 -18.7894 -18.7885 -18.7885 -18.7830 -18.7830 -18.7820 -18.7820 -4.6000 -4.6000 -3.6525 -3.6525 -1.7950 -1.7950 -1.7678 -1.7678 -1.7437 -1.7437 -1.6838 -1.6838 -1.4853 -1.4853 -1.3790 -1.3790 -1.3444 -1.3444 -1.3043 -1.3043 -1.2287 -1.2287 -1.1534 -1.1534 1.8734 1.8734 2.4298 2.4298 3.9075 3.9075 3.9978 3.9978 4.8454 4.8454 5.6853 5.6853 6.1553 6.1553 8.1205 8.1205 8.3897 8.3897 8.8914 8.8914 9.5280 9.5280 k = 0.0000 0.1667 0.2964 ( 9198 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9614 -18.9614 -18.7894 -18.7894 -18.7885 -18.7885 -18.7831 -18.7831 -18.7820 -18.7820 -4.5764 -4.5764 -3.6460 -3.6460 -1.7930 -1.7930 -1.7651 -1.7651 -1.7428 -1.7428 -1.6805 -1.6805 -1.4833 -1.4833 -1.3790 -1.3790 -1.3409 -1.3409 -1.3055 -1.3055 -1.2275 -1.2275 -1.1589 -1.1589 1.8532 1.8532 2.2929 2.2929 3.9377 3.9377 4.0222 4.0222 4.7649 4.7649 5.6825 5.6825 6.2122 6.2122 8.2658 8.2658 8.3928 8.3928 8.7794 8.7794 9.5778 9.5778 k = 0.0000 0.1806 0.2964 ( 9184 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9615 -18.9615 -18.7894 -18.7894 -18.7885 -18.7885 -18.7831 -18.7831 -18.7821 -18.7821 -4.5511 -4.5511 -3.6393 -3.6393 -1.7907 -1.7907 -1.7622 -1.7622 -1.7417 -1.7417 -1.6772 -1.6772 -1.4811 -1.4811 -1.3791 -1.3791 -1.3379 -1.3379 -1.3069 -1.3069 -1.2260 -1.2260 -1.1643 -1.1643 1.8289 1.8289 2.1589 2.1589 3.9698 3.9698 4.0478 4.0478 4.6891 4.6891 5.6801 5.6801 6.2620 6.2620 8.3104 8.3104 8.4839 8.4839 8.6879 8.6879 9.5714 9.5714 k = 0.0000 0.1944 0.2964 ( 9192 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9668 -18.9668 -18.9616 -18.9616 -18.7894 -18.7894 -18.7886 -18.7886 -18.7832 -18.7832 -18.7821 -18.7821 -4.5241 -4.5241 -3.6327 -3.6327 -1.7882 -1.7882 -1.7592 -1.7592 -1.7405 -1.7405 -1.6738 -1.6738 -1.4785 -1.4785 -1.3792 -1.3792 -1.3354 -1.3354 -1.3083 -1.3083 -1.2244 -1.2244 -1.1694 -1.1694 1.7992 1.7992 2.0296 2.0296 4.0038 4.0038 4.0742 4.0742 4.6195 4.6195 5.6778 5.6778 6.3052 6.3052 8.2851 8.2851 8.5088 8.5088 8.7387 8.7387 9.5319 9.5319 k = 0.0000 0.2083 0.2964 ( 9192 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9668 -18.9668 -18.9618 -18.9618 -18.7895 -18.7895 -18.7886 -18.7886 -18.7832 -18.7832 -18.7822 -18.7822 -4.4955 -4.4955 -3.6261 -3.6261 -1.7855 -1.7855 -1.7561 -1.7561 -1.7391 -1.7391 -1.6704 -1.6704 -1.4757 -1.4757 -1.3793 -1.3793 -1.3336 -1.3336 -1.3098 -1.3098 -1.2230 -1.2230 -1.1735 -1.1735 1.7606 1.7606 1.9088 1.9088 4.0394 4.0394 4.1008 4.1008 4.5578 4.5578 5.6753 5.6753 6.3422 6.3422 8.2425 8.2425 8.4245 8.4245 8.9215 8.9215 9.4810 9.4810 k = 0.0000 0.2222 0.2964 ( 9208 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9619 -18.9619 -18.7896 -18.7896 -18.7886 -18.7886 -18.7833 -18.7833 -18.7823 -18.7823 -4.4654 -4.4654 -3.6198 -3.6198 -1.7825 -1.7825 -1.7528 -1.7528 -1.7376 -1.7376 -1.6670 -1.6670 -1.4726 -1.4726 -1.3795 -1.3795 -1.3327 -1.3327 -1.3114 -1.3114 -1.2225 -1.2225 -1.1761 -1.1761 1.7019 1.7019 1.8082 1.8082 4.0765 4.0765 4.1262 4.1262 4.5058 4.5058 5.6722 5.6722 6.3730 6.3730 8.1878 8.1878 8.3334 8.3334 9.1275 9.1275 9.4296 9.4296 k = 0.0000 0.2361 0.2964 ( 9202 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9621 -18.9621 -18.7896 -18.7896 -18.7886 -18.7886 -18.7834 -18.7834 -18.7823 -18.7823 -4.4338 -4.4338 -3.6139 -3.6139 -1.7793 -1.7793 -1.7494 -1.7494 -1.7359 -1.7359 -1.6636 -1.6636 -1.4691 -1.4691 -1.3796 -1.3796 -1.3325 -1.3325 -1.3130 -1.3130 -1.2237 -1.2237 -1.1766 -1.1766 1.6113 1.6113 1.7400 1.7400 4.1147 4.1147 4.1489 4.1489 4.4658 4.4658 5.6683 5.6683 6.3979 6.3979 8.1232 8.1232 8.2469 8.2469 9.3431 9.3431 9.3821 9.3821 k = 0.0000 0.2500 0.2964 ( 9208 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9622 -18.9622 -18.7896 -18.7896 -18.7886 -18.7886 -18.7834 -18.7834 -18.7823 -18.7823 -4.4009 -4.4009 -3.6085 -3.6085 -1.7758 -1.7758 -1.7460 -1.7460 -1.7340 -1.7340 -1.6602 -1.6602 -1.4654 -1.4654 -1.3797 -1.3797 -1.3330 -1.3330 -1.3146 -1.3146 -1.2269 -1.2269 -1.1747 -1.1747 1.5053 1.5053 1.6881 1.6881 4.1539 4.1539 4.1663 4.1663 4.4403 4.4403 5.6633 5.6633 6.4166 6.4166 8.0506 8.0506 8.1670 8.1670 9.3395 9.3395 9.5646 9.5646 k = 0.0000 0.2639 0.2964 ( 9212 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9666 -18.9666 -18.9624 -18.9624 -18.7897 -18.7897 -18.7887 -18.7887 -18.7835 -18.7835 -18.7824 -18.7824 -4.3668 -4.3668 -3.6038 -3.6038 -1.7720 -1.7720 -1.7426 -1.7426 -1.7318 -1.7318 -1.6569 -1.6569 -1.4613 -1.4613 -1.3798 -1.3798 -1.3343 -1.3343 -1.3163 -1.3163 -1.2317 -1.2317 -1.1710 -1.1710 1.3987 1.3987 1.6386 1.6386 4.1765 4.1765 4.1936 4.1936 4.4317 4.4317 5.6571 5.6571 6.4290 6.4290 7.9716 7.9716 8.0949 8.0949 9.3015 9.3015 9.7884 9.7884 k = 0.0000 0.2778 0.2964 ( 9214 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9665 -18.9665 -18.9625 -18.9625 -18.7897 -18.7897 -18.7887 -18.7887 -18.7835 -18.7835 -18.7824 -18.7824 -4.3316 -4.3316 -3.5999 -3.5999 -1.7681 -1.7681 -1.7392 -1.7392 -1.7294 -1.7294 -1.6536 -1.6536 -1.4569 -1.4569 -1.3797 -1.3797 -1.3361 -1.3361 -1.3179 -1.3179 -1.2377 -1.2377 -1.1662 -1.1662 1.2958 1.2958 1.5877 1.5877 4.1795 4.1795 4.2334 4.2334 4.4399 4.4399 5.6493 5.6493 6.4350 6.4350 7.8867 7.8867 8.0329 8.0329 9.2666 9.2666 10.0045 10.0045 k = 0.0000 0.2917 0.2964 ( 9214 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9665 -18.9665 -18.9627 -18.9627 -18.7897 -18.7897 -18.7887 -18.7887 -18.7836 -18.7836 -18.7825 -18.7825 -4.2954 -4.2954 -3.5970 -3.5970 -1.7639 -1.7639 -1.7359 -1.7359 -1.7267 -1.7267 -1.6504 -1.6504 -1.4522 -1.4522 -1.3797 -1.3797 -1.3383 -1.3383 -1.3195 -1.3195 -1.2444 -1.2444 -1.1610 -1.1610 1.1984 1.1984 1.5345 1.5345 4.1782 4.1782 4.2729 4.2729 4.4617 4.4617 5.6399 5.6399 6.4348 6.4348 7.7965 7.7965 7.9828 7.9828 9.2330 9.2330 10.1328 10.1328 k = 0.0000 0.3056 0.2964 ( 9208 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9664 -18.9664 -18.9628 -18.9628 -18.7897 -18.7897 -18.7887 -18.7887 -18.7836 -18.7836 -18.7825 -18.7825 -4.2585 -4.2585 -3.5952 -3.5952 -1.7596 -1.7596 -1.7327 -1.7327 -1.7237 -1.7237 -1.6474 -1.6474 -1.4471 -1.4471 -1.3796 -1.3796 -1.3409 -1.3409 -1.3211 -1.3211 -1.2515 -1.2515 -1.1560 -1.1560 1.1075 1.1075 1.4789 1.4789 4.1763 4.1763 4.3115 4.3115 4.4933 4.4933 5.6284 5.6284 6.4287 6.4287 7.7018 7.7018 7.9456 7.9456 9.1989 9.1989 10.0625 10.0625 k = 0.0000 0.3194 0.2964 ( 9208 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9663 -18.9663 -18.9630 -18.9630 -18.7898 -18.7898 -18.7888 -18.7888 -18.7836 -18.7836 -18.7826 -18.7826 -4.2210 -4.2210 -3.5948 -3.5948 -1.7552 -1.7552 -1.7298 -1.7298 -1.7203 -1.7203 -1.6445 -1.6445 -1.4416 -1.4416 -1.3794 -1.3794 -1.3436 -1.3436 -1.3225 -1.3225 -1.2588 -1.2588 -1.1518 -1.1518 1.0238 1.0238 1.4212 1.4212 4.1764 4.1764 4.3487 4.3487 4.5315 4.5315 5.6149 5.6149 6.4174 6.4174 7.6043 7.6043 7.9213 7.9213 9.1626 9.1626 9.9927 9.9927 k = 0.0000 0.3333 0.2964 ( 9208 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9662 -18.9662 -18.9631 -18.9631 -18.7898 -18.7898 -18.7888 -18.7888 -18.7836 -18.7836 -18.7826 -18.7826 -4.1829 -4.1829 -3.5958 -3.5958 -1.7508 -1.7508 -1.7270 -1.7270 -1.7165 -1.7165 -1.6419 -1.6419 -1.4358 -1.4358 -1.3792 -1.3792 -1.3464 -1.3464 -1.3237 -1.3237 -1.2662 -1.2662 -1.1487 -1.1487 0.9478 0.9478 1.3618 1.3618 4.1799 4.1799 4.3838 4.3838 4.5744 4.5744 5.5990 5.5990 6.4021 6.4021 7.5051 7.5051 7.9093 7.9093 9.1229 9.1229 9.9286 9.9286 k = 0.0000 0.3472 0.2964 ( 9200 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9661 -18.9661 -18.9633 -18.9633 -18.7898 -18.7898 -18.7889 -18.7889 -18.7836 -18.7836 -18.7827 -18.7827 -4.1446 -4.1446 -3.5984 -3.5984 -1.7465 -1.7465 -1.7245 -1.7245 -1.7123 -1.7123 -1.6395 -1.6395 -1.4296 -1.4296 -1.3790 -1.3790 -1.3492 -1.3492 -1.3245 -1.3245 -1.2736 -1.2736 -1.1471 -1.1471 0.8802 0.8802 1.3014 1.3014 4.1875 4.1875 4.4162 4.4162 4.6206 4.6206 5.5807 5.5807 6.3845 6.3845 7.4054 7.4054 7.9089 7.9089 9.0790 9.0790 9.8707 9.8707 k = 0.0000 0.3611 0.2964 ( 9208 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9660 -18.9660 -18.9635 -18.9635 -18.7898 -18.7898 -18.7889 -18.7889 -18.7837 -18.7837 -18.7827 -18.7827 -4.1063 -4.1063 -3.6028 -3.6028 -1.7423 -1.7423 -1.7221 -1.7221 -1.7076 -1.7076 -1.6374 -1.6374 -1.4232 -1.4232 -1.3788 -1.3788 -1.3518 -1.3518 -1.3250 -1.3250 -1.2808 -1.2808 -1.1474 -1.1474 0.8213 0.8213 1.2403 1.2403 4.1994 4.1994 4.4452 4.4452 4.6693 4.6693 5.5597 5.5597 6.3662 6.3662 7.3062 7.3062 7.9191 7.9191 9.0303 9.0303 9.8191 9.8191 k = 0.0000 0.3750 0.2964 ( 9206 PWs) bands (ev): -46.9191 -46.9191 -46.9188 -46.9188 -18.9660 -18.9660 -18.9636 -18.9636 -18.7898 -18.7898 -18.7890 -18.7890 -18.7836 -18.7836 -18.7827 -18.7827 -4.0680 -4.0680 -3.6090 -3.6090 -1.7383 -1.7383 -1.7201 -1.7201 -1.7025 -1.7025 -1.6357 -1.6357 -1.4165 -1.4165 -1.3787 -1.3787 -1.3541 -1.3541 -1.3249 -1.3249 -1.2877 -1.2877 -1.1498 -1.1498 0.7715 0.7715 1.1792 1.1792 4.2153 4.2153 4.4701 4.4701 4.7199 4.7199 5.5359 5.5359 6.3492 6.3492 7.2083 7.2083 7.9388 7.9388 8.9770 8.9770 9.7741 9.7741 k = 0.0000 0.3889 0.2964 ( 9206 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9659 -18.9659 -18.9638 -18.9638 -18.7898 -18.7898 -18.7890 -18.7890 -18.7836 -18.7836 -18.7828 -18.7828 -4.0300 -4.0300 -3.6173 -3.6173 -1.7347 -1.7347 -1.7183 -1.7183 -1.6970 -1.6970 -1.6345 -1.6345 -1.4097 -1.4097 -1.3787 -1.3787 -1.3560 -1.3560 -1.3241 -1.3241 -1.2943 -1.2943 -1.1543 -1.1543 0.7311 0.7311 1.1188 1.1188 4.2348 4.2348 4.4902 4.4902 4.7718 4.7718 5.5092 5.5092 6.3355 6.3355 7.1124 7.1124 7.9669 7.9669 8.9194 8.9194 9.7356 9.7356 k = 0.0000 0.4028 0.2964 ( 9212 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9658 -18.9658 -18.9640 -18.9640 -18.7898 -18.7898 -18.7891 -18.7891 -18.7836 -18.7836 -18.7829 -18.7829 -3.9926 -3.9926 -3.6277 -3.6277 -1.7313 -1.7313 -1.7168 -1.7168 -1.6911 -1.6911 -1.6338 -1.6338 -1.4030 -1.4030 -1.3787 -1.3787 -1.3576 -1.3576 -1.3228 -1.3228 -1.2999 -1.2999 -1.1611 -1.1611 0.7002 0.7002 1.0595 1.0595 4.2575 4.2575 4.5050 4.5050 4.8246 4.8246 5.4795 5.4795 6.3269 6.3269 7.0191 7.0191 8.0023 8.0023 8.8581 8.8581 9.7037 9.7037 k = 0.0000 0.4167 0.2964 ( 9192 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9656 -18.9656 -18.9641 -18.9641 -18.7897 -18.7897 -18.7892 -18.7892 -18.7836 -18.7836 -18.7829 -18.7829 -3.9559 -3.9559 -3.6402 -3.6402 -1.7283 -1.7283 -1.7157 -1.7157 -1.6849 -1.6849 -1.6338 -1.6338 -1.3965 -1.3965 -1.3788 -1.3788 -1.3587 -1.3587 -1.3218 -1.3218 -1.3035 -1.3035 -1.1701 -1.1701 0.6786 0.6786 1.0021 1.0021 4.2829 4.2829 4.5141 4.5141 4.8781 4.8781 5.4468 5.4468 6.3249 6.3249 6.9291 6.9291 8.0442 8.0442 8.7938 8.7938 9.6784 9.6784 k = 0.0000 0.4306 0.2964 ( 9196 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9655 -18.9655 -18.9642 -18.9642 -18.7897 -18.7897 -18.7893 -18.7893 -18.7835 -18.7835 -18.7830 -18.7830 -3.9202 -3.9202 -3.6550 -3.6550 -1.7255 -1.7255 -1.7149 -1.7149 -1.6786 -1.6786 -1.6345 -1.6345 -1.3907 -1.3907 -1.3787 -1.3787 -1.3593 -1.3593 -1.3231 -1.3231 -1.3028 -1.3028 -1.1810 -1.1810 0.6664 0.6664 0.9471 0.9471 4.3102 4.3102 4.5171 4.5171 4.9317 4.9317 5.4110 5.4110 6.3307 6.3307 6.8429 6.8429 8.0916 8.0916 8.7274 8.7274 9.6596 9.6596 k = 0.0000 0.4444 0.2964 ( 9184 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9654 -18.9654 -18.9644 -18.9644 -18.7897 -18.7897 -18.7893 -18.7893 -18.7835 -18.7835 -18.7830 -18.7830 -3.8857 -3.8857 -3.6721 -3.6721 -1.7231 -1.7231 -1.7145 -1.7145 -1.6723 -1.6723 -1.6359 -1.6359 -1.3860 -1.3860 -1.3786 -1.3786 -1.3590 -1.3590 -1.3271 -1.3271 -1.2973 -1.2973 -1.1935 -1.1935 0.6630 0.6630 0.8951 0.8951 4.3387 4.3387 4.5141 4.5141 4.9853 4.9853 5.3723 5.3723 6.3451 6.3451 6.7612 6.7612 8.1438 8.1438 8.6595 8.6595 9.6471 9.6471 k = 0.0000 0.4583 0.2964 ( 9184 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9652 -18.9652 -18.9645 -18.9645 -18.7897 -18.7897 -18.7894 -18.7894 -18.7834 -18.7834 -18.7831 -18.7831 -3.8525 -3.8525 -3.6915 -3.6915 -1.7210 -1.7210 -1.7144 -1.7144 -1.6660 -1.6660 -1.6381 -1.6381 -1.3826 -1.3826 -1.3782 -1.3782 -1.3577 -1.3577 -1.3320 -1.3320 -1.2887 -1.2887 -1.2072 -1.2072 0.6683 0.6683 0.8467 0.8467 4.3678 4.3678 4.5053 4.5053 5.0385 5.0385 5.3309 5.3309 6.3685 6.3685 6.6846 6.6846 8.2001 8.2001 8.5909 8.5909 9.6409 9.6409 k = 0.0000 0.4722 0.2964 ( 9180 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9646 -18.9646 -18.7896 -18.7896 -18.7894 -18.7894 -18.7833 -18.7833 -18.7831 -18.7831 -3.8208 -3.8208 -3.7131 -3.7131 -1.7191 -1.7191 -1.7147 -1.7147 -1.6601 -1.6601 -1.6412 -1.6412 -1.3806 -1.3806 -1.3780 -1.3780 -1.3551 -1.3551 -1.3372 -1.3372 -1.2777 -1.2777 -1.2218 -1.2218 0.6815 0.6815 0.8026 0.8026 4.3966 4.3966 4.4912 4.4912 5.0909 5.0909 5.2868 5.2868 6.4010 6.4010 6.6137 6.6137 8.2598 8.2598 8.5223 8.5223 9.6406 9.6406 k = 0.0000 0.4861 0.2964 ( 9180 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9648 -18.9648 -18.7896 -18.7896 -18.7895 -18.7895 -18.7833 -18.7833 -18.7832 -18.7832 -3.7910 -3.7910 -3.7370 -3.7370 -1.7176 -1.7176 -1.7153 -1.7153 -1.6545 -1.6545 -1.6449 -1.6449 -1.3793 -1.3793 -1.3781 -1.3781 -1.3515 -1.3515 -1.3423 -1.3423 -1.2650 -1.2650 -1.2366 -1.2366 0.7022 0.7022 0.7634 0.7634 4.4243 4.4243 4.4724 4.4724 5.1422 5.1422 5.2405 5.2405 6.4423 6.4423 6.5493 6.5493 8.3225 8.3225 8.4543 8.4543 9.6460 9.6460 k = 0.0000 0.5000 0.2964 ( 9176 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7832 -18.7832 -18.7832 -18.7832 -3.7629 -3.7629 -3.7629 -3.7629 -1.7163 -1.7163 -1.7163 -1.7163 -1.6494 -1.6494 -1.6494 -1.6494 -1.3785 -1.3785 -1.3785 -1.3785 -1.3471 -1.3471 -1.3471 -1.3471 -1.2512 -1.2512 -1.2512 -1.2512 0.7297 0.7297 0.7297 0.7297 4.4498 4.4498 4.4498 4.4498 5.1922 5.1922 5.1922 5.1922 6.4919 6.4919 6.4919 6.4919 8.3875 8.3875 8.3875 8.3875 9.6568 9.6568 k = 0.0000 0.5000 0.2964 ( 9176 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7832 -18.7832 -18.7832 -18.7832 -3.7629 -3.7629 -3.7629 -3.7629 -1.7163 -1.7163 -1.7163 -1.7163 -1.6494 -1.6494 -1.6494 -1.6494 -1.3785 -1.3785 -1.3785 -1.3785 -1.3471 -1.3471 -1.3471 -1.3471 -1.2512 -1.2512 -1.2512 -1.2512 0.7297 0.7297 0.7297 0.7297 4.4498 4.4498 4.4498 4.4498 5.1922 5.1922 5.1922 5.1922 6.4919 6.4919 6.4919 6.4919 8.3875 8.3875 8.3875 8.3875 9.6568 9.6568 k = 0.0139 0.5000 0.2964 ( 9176 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7894 -18.7894 -18.7833 -18.7833 -18.7831 -18.7831 -3.7624 -3.7624 -3.7621 -3.7621 -1.7186 -1.7186 -1.7140 -1.7140 -1.6522 -1.6522 -1.6467 -1.6467 -1.3799 -1.3799 -1.3773 -1.3773 -1.3481 -1.3481 -1.3462 -1.3462 -1.2522 -1.2522 -1.2495 -1.2495 0.7299 0.7299 0.7315 0.7315 4.4479 4.4479 4.4491 4.4491 5.1662 5.1662 5.1834 5.1834 6.4966 6.4966 6.5164 6.5164 8.3924 8.3924 8.3946 8.3946 9.6393 9.6393 k = 0.0278 0.5000 0.2964 ( 9168 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7897 -18.7897 -18.7893 -18.7893 -18.7834 -18.7834 -18.7830 -18.7830 -3.7605 -3.7605 -3.7598 -3.7598 -1.7210 -1.7210 -1.7119 -1.7119 -1.6550 -1.6550 -1.6440 -1.6440 -1.3815 -1.3815 -1.3763 -1.3763 -1.3490 -1.3490 -1.3453 -1.3453 -1.2525 -1.2525 -1.2471 -1.2471 0.7319 0.7319 0.7352 0.7352 4.4432 4.4432 4.4452 4.4452 5.1096 5.1096 5.1410 5.1410 6.5294 6.5294 6.5661 6.5661 8.4090 8.4090 8.4135 8.4135 9.5978 9.5978 k = 0.0417 0.5000 0.2964 ( 9168 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7898 -18.7898 -18.7892 -18.7892 -18.7836 -18.7836 -18.7829 -18.7829 -3.7571 -3.7571 -3.7561 -3.7561 -1.7235 -1.7235 -1.7098 -1.7098 -1.6578 -1.6578 -1.6415 -1.6415 -1.3831 -1.3831 -1.3755 -1.3755 -1.3499 -1.3499 -1.3443 -1.3443 -1.2522 -1.2522 -1.2442 -1.2442 0.7358 0.7358 0.7408 0.7408 4.4357 4.4357 4.4375 4.4375 5.0301 5.0301 5.0706 5.0706 6.5845 6.5845 6.6339 6.6339 8.4362 8.4362 8.4432 8.4432 9.5391 9.5391 k = 0.0556 0.5000 0.2964 ( 9176 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7899 -18.7899 -18.7891 -18.7891 -18.7837 -18.7837 -18.7829 -18.7829 -3.7524 -3.7524 -3.7510 -3.7510 -1.7259 -1.7259 -1.7081 -1.7081 -1.6605 -1.6605 -1.6390 -1.6390 -1.3849 -1.3849 -1.3752 -1.3752 -1.3506 -1.3506 -1.3434 -1.3434 -1.2512 -1.2512 -1.2409 -1.2409 0.7415 0.7415 0.7483 0.7483 4.4246 4.4246 4.4250 4.4250 4.9361 4.9361 4.9802 4.9802 6.6545 6.6545 6.7125 6.7125 8.4717 8.4717 8.4812 8.4812 9.4726 9.4726 k = 0.0694 0.5000 0.2964 ( 9180 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7900 -18.7900 -18.7890 -18.7890 -18.7839 -18.7839 -18.7828 -18.7828 -3.7463 -3.7463 -3.7445 -3.7445 -1.7284 -1.7284 -1.7066 -1.7066 -1.6629 -1.6629 -1.6367 -1.6367 -1.3868 -1.3868 -1.3753 -1.3753 -1.3510 -1.3510 -1.3423 -1.3423 -1.2496 -1.2496 -1.2370 -1.2370 0.7491 0.7491 0.7576 0.7576 4.4038 4.4038 4.4099 4.4099 4.8358 4.8358 4.8772 4.8772 6.7328 6.7328 6.7962 6.7962 8.5114 8.5114 8.5230 8.5230 9.4087 9.4087 k = 0.0833 0.5000 0.2964 ( 9188 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9649 -18.9649 -18.7901 -18.7901 -18.7889 -18.7889 -18.7841 -18.7841 -18.7828 -18.7828 -3.7389 -3.7389 -3.7368 -3.7368 -1.7309 -1.7309 -1.7057 -1.7057 -1.6649 -1.6649 -1.6344 -1.6344 -1.3888 -1.3888 -1.3760 -1.3760 -1.3508 -1.3508 -1.3411 -1.3411 -1.2475 -1.2475 -1.2329 -1.2329 0.7583 0.7583 0.7686 0.7686 4.3707 4.3707 4.3886 4.3886 4.7380 4.7380 4.7686 4.7686 6.8144 6.8144 6.8806 6.8806 8.5485 8.5485 8.5605 8.5605 9.3597 9.3597 k = 0.0972 0.5000 0.2964 ( 9200 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7902 -18.7902 -18.7888 -18.7888 -18.7843 -18.7843 -18.7827 -18.7827 -3.7301 -3.7301 -3.7277 -3.7277 -1.7334 -1.7334 -1.7053 -1.7053 -1.6663 -1.6663 -1.6323 -1.6323 -1.3908 -1.3908 -1.3772 -1.3772 -1.3501 -1.3501 -1.3397 -1.3397 -1.2448 -1.2448 -1.2284 -1.2284 0.7691 0.7691 0.7814 0.7814 4.3186 4.3186 4.3570 4.3570 4.6525 4.6525 4.6623 4.6623 6.8960 6.8960 6.9634 6.9634 8.5733 8.5733 8.5823 8.5823 9.3401 9.3401 k = 0.1111 0.5000 0.2964 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9650 -18.9650 -18.7903 -18.7903 -18.7887 -18.7887 -18.7844 -18.7844 -18.7827 -18.7827 -3.7202 -3.7202 -3.7174 -3.7174 -1.7359 -1.7359 -1.7058 -1.7058 -1.6669 -1.6669 -1.6301 -1.6301 -1.3929 -1.3929 -1.3790 -1.3790 -1.3488 -1.3488 -1.3381 -1.3381 -1.2418 -1.2418 -1.2237 -1.2237 0.7815 0.7815 0.7957 0.7957 4.2424 4.2424 4.3079 4.3079 4.5681 4.5681 4.5864 4.5864 6.9756 6.9756 7.0429 7.0429 8.5761 8.5761 8.5777 8.5777 9.3620 9.3620 k = 0.1250 0.5000 0.2964 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9650 -18.9650 -18.7904 -18.7904 -18.7885 -18.7885 -18.7846 -18.7846 -18.7827 -18.7827 -3.7090 -3.7090 -3.7060 -3.7060 -1.7384 -1.7384 -1.7071 -1.7071 -1.6667 -1.6667 -1.6281 -1.6281 -1.3950 -1.3950 -1.3811 -1.3811 -1.3471 -1.3471 -1.3364 -1.3364 -1.2385 -1.2385 -1.2188 -1.2188 0.7952 0.7952 0.8116 0.8116 4.1448 4.1448 4.2335 4.2335 4.4954 4.4954 4.5384 4.5384 7.0522 7.0522 7.1186 7.1186 8.5449 8.5449 8.5533 8.5533 9.4281 9.4281 k = 0.1389 0.5000 0.2964 ( 9228 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9651 -18.9651 -18.9651 -18.9651 -18.7905 -18.7905 -18.7884 -18.7884 -18.7848 -18.7848 -18.7827 -18.7827 -3.6967 -3.6967 -3.6934 -3.6934 -1.7410 -1.7410 -1.7092 -1.7092 -1.6656 -1.6656 -1.6260 -1.6260 -1.3971 -1.3971 -1.3835 -1.3835 -1.3449 -1.3449 -1.3344 -1.3344 -1.2348 -1.2348 -1.2139 -1.2139 0.8101 0.8101 0.8288 0.8288 4.0337 4.0337 4.1360 4.1360 4.4436 4.4436 4.5020 4.5020 7.1255 7.1255 7.1905 7.1905 8.4905 8.4905 8.5091 8.5091 9.5258 9.5258 k = 0.1528 0.5000 0.2964 ( 9240 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9652 -18.9652 -18.9651 -18.9651 -18.7906 -18.7906 -18.7883 -18.7883 -18.7851 -18.7851 -18.7827 -18.7827 -3.6834 -3.6834 -3.6797 -3.6797 -1.7436 -1.7436 -1.7120 -1.7120 -1.6638 -1.6638 -1.6239 -1.6239 -1.3992 -1.3992 -1.3860 -1.3860 -1.3424 -1.3424 -1.3322 -1.3322 -1.2309 -1.2309 -1.2088 -1.2088 0.8261 0.8261 0.8471 0.8471 3.9159 3.9159 4.0254 4.0254 4.4036 4.4036 4.4711 4.4711 7.1956 7.1956 7.2590 7.2590 8.4238 8.4238 8.4514 8.4514 9.6427 9.6427 k = 0.1667 0.5000 0.2964 ( 9236 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9652 -18.9652 -18.9651 -18.9651 -18.7906 -18.7906 -18.7882 -18.7882 -18.7852 -18.7852 -18.7827 -18.7827 -3.6690 -3.6690 -3.6652 -3.6652 -1.7462 -1.7462 -1.7153 -1.7153 -1.6614 -1.6614 -1.6217 -1.6217 -1.4012 -1.4012 -1.3887 -1.3887 -1.3396 -1.3396 -1.3299 -1.3299 -1.2268 -1.2268 -1.2037 -1.2037 0.8429 0.8429 0.8664 0.8664 3.7958 3.7958 3.9098 3.9098 4.3683 4.3683 4.4420 4.4420 7.2629 7.2629 7.3247 7.3247 8.3517 8.3517 8.3870 8.3870 9.7774 9.7774 k = 0.1806 0.5000 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7907 -18.7907 -18.7881 -18.7881 -18.7855 -18.7855 -18.7827 -18.7827 -3.6538 -3.6538 -3.6497 -3.6497 -1.7488 -1.7488 -1.7190 -1.7190 -1.6584 -1.6584 -1.6195 -1.6195 -1.4031 -1.4031 -1.3913 -1.3913 -1.3366 -1.3366 -1.3273 -1.3273 -1.2226 -1.2226 -1.1985 -1.1985 0.8603 0.8603 0.8865 0.8865 3.6762 3.6762 3.7936 3.7936 4.3340 4.3340 4.4126 4.4126 7.3279 7.3279 7.3881 7.3881 8.2790 8.2790 8.3209 8.3209 9.9212 9.9212 k = 0.1944 0.5000 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7907 -18.7907 -18.7879 -18.7879 -18.7857 -18.7857 -18.7828 -18.7828 -3.6378 -3.6378 -3.6334 -3.6334 -1.7514 -1.7514 -1.7230 -1.7230 -1.6549 -1.6549 -1.6171 -1.6171 -1.4050 -1.4050 -1.3939 -1.3939 -1.3334 -1.3334 -1.3247 -1.3247 -1.2182 -1.2182 -1.1933 -1.1933 0.8780 0.8780 0.9071 0.9071 3.5588 3.5588 3.6792 3.6792 4.2987 4.2987 4.3818 4.3818 7.3912 7.3912 7.4500 7.4500 8.2085 8.2085 8.2563 8.2563 10.0641 10.0641 k = 0.2083 0.5000 0.2964 ( 9240 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7908 -18.7908 -18.7878 -18.7878 -18.7858 -18.7858 -18.7828 -18.7828 -3.6210 -3.6210 -3.6165 -3.6165 -1.7541 -1.7541 -1.7272 -1.7272 -1.6511 -1.6511 -1.6146 -1.6146 -1.4068 -1.4068 -1.3965 -1.3965 -1.3300 -1.3300 -1.3218 -1.3218 -1.2137 -1.2137 -1.1881 -1.1881 0.8957 0.8957 0.9277 0.9277 3.4449 3.4449 3.5685 3.5685 4.2614 4.2614 4.3486 4.3486 7.4531 7.4531 7.5107 7.5107 8.1423 8.1423 8.1952 8.1952 10.1912 10.1912 k = 0.2222 0.5000 0.2964 ( 9232 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9653 -18.9653 -18.9652 -18.9652 -18.7908 -18.7908 -18.7877 -18.7877 -18.7860 -18.7860 -18.7828 -18.7828 -3.6037 -3.6037 -3.5990 -3.5990 -1.7567 -1.7567 -1.7315 -1.7315 -1.6470 -1.6470 -1.6119 -1.6119 -1.4085 -1.4085 -1.3990 -1.3990 -1.3265 -1.3265 -1.3189 -1.3189 -1.2091 -1.2091 -1.1830 -1.1830 0.9131 0.9131 0.9482 0.9482 3.3357 3.3357 3.4625 3.4625 4.2215 4.2215 4.3127 4.3127 7.5143 7.5143 7.5708 7.5708 8.0816 8.0816 8.1392 8.1392 10.2807 10.2807 k = 0.2361 0.5000 0.2964 ( 9240 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9654 -18.9654 -18.9653 -18.9653 -18.7908 -18.7908 -18.7876 -18.7876 -18.7862 -18.7862 -18.7829 -18.7829 -3.5859 -3.5859 -3.5811 -3.5811 -1.7594 -1.7594 -1.7358 -1.7358 -1.6426 -1.6426 -1.6090 -1.6090 -1.4101 -1.4101 -1.4014 -1.4014 -1.3229 -1.3229 -1.3158 -1.3158 -1.2044 -1.2044 -1.1779 -1.1779 0.9297 0.9297 0.9680 0.9680 3.2320 3.2320 3.3621 3.3621 4.1788 4.1788 4.2737 4.2737 7.5749 7.5749 7.6305 7.6305 8.0275 8.0275 8.0891 8.0891 10.3114 10.3114 k = 0.2500 0.5000 0.2964 ( 9228 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9654 -18.9654 -18.9653 -18.9653 -18.7908 -18.7908 -18.7875 -18.7875 -18.7863 -18.7863 -18.7829 -18.7829 -3.5677 -3.5677 -3.5628 -3.5628 -1.7621 -1.7621 -1.7402 -1.7402 -1.6379 -1.6379 -1.6059 -1.6059 -1.4116 -1.4116 -1.4037 -1.4037 -1.3192 -1.3192 -1.3127 -1.3127 -1.1997 -1.1997 -1.1728 -1.1728 0.9453 0.9453 0.9868 0.9868 3.1347 3.1347 3.2684 3.2684 4.1331 4.1331 4.2315 4.2315 7.6353 7.6353 7.6901 7.6901 7.9807 7.9807 8.0457 8.0457 10.2833 10.2833 k = 0.2639 0.5000 0.2964 ( 9232 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9654 -18.9654 -18.9653 -18.9653 -18.7908 -18.7908 -18.7874 -18.7874 -18.7865 -18.7865 -18.7830 -18.7830 -3.5493 -3.5493 -3.5444 -3.5444 -1.7647 -1.7647 -1.7445 -1.7445 -1.6329 -1.6329 -1.6026 -1.6026 -1.4131 -1.4131 -1.4060 -1.4060 -1.3154 -1.3154 -1.3095 -1.3095 -1.1948 -1.1948 -1.1678 -1.1678 0.9593 0.9593 1.0039 1.0039 3.0447 3.0447 3.1820 3.1820 4.0844 4.0844 4.1861 4.1861 7.6957 7.6957 7.7493 7.7493 7.9420 7.9420 8.0094 8.0094 10.2155 10.2155 k = 0.2778 0.5000 0.2964 ( 9240 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7875 -18.7875 -18.7865 -18.7865 -18.7830 -18.7830 -3.5308 -3.5308 -3.5259 -3.5259 -1.7673 -1.7673 -1.7488 -1.7488 -1.6278 -1.6278 -1.5991 -1.5991 -1.4145 -1.4145 -1.4081 -1.4081 -1.3116 -1.3116 -1.3063 -1.3063 -1.1899 -1.1899 -1.1629 -1.1629 0.9713 0.9713 1.0189 1.0189 2.9629 2.9629 3.1036 3.1036 4.0327 4.0327 4.1373 4.1373 7.7560 7.7560 7.8066 7.8066 7.9133 7.9133 7.9806 7.9806 10.1262 10.1262 k = 0.2917 0.5000 0.2964 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7875 -18.7875 -18.7866 -18.7866 -18.7831 -18.7831 -3.5124 -3.5124 -3.5075 -3.5075 -1.7699 -1.7699 -1.7530 -1.7530 -1.6224 -1.6224 -1.5954 -1.5954 -1.4158 -1.4158 -1.4102 -1.4102 -1.3079 -1.3079 -1.3031 -1.3031 -1.1849 -1.1849 -1.1580 -1.1580 0.9810 0.9810 1.0312 1.0312 2.8899 2.8899 3.0340 3.0340 3.9781 3.9781 4.0854 4.0854 7.8159 7.8159 7.8497 7.8497 7.9069 7.9069 7.9597 7.9597 10.0265 10.0265 k = 0.3056 0.5000 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9655 -18.9655 -18.9654 -18.9654 -18.7909 -18.7909 -18.7877 -18.7877 -18.7865 -18.7865 -18.7832 -18.7832 -3.4942 -3.4942 -3.4893 -3.4893 -1.7724 -1.7724 -1.7570 -1.7570 -1.6169 -1.6169 -1.5915 -1.5915 -1.4171 -1.4171 -1.4122 -1.4122 -1.3041 -1.3041 -1.2998 -1.2998 -1.1799 -1.1799 -1.1533 -1.1533 0.9879 0.9879 1.0403 1.0403 2.8266 2.8266 2.9737 2.9737 3.9208 3.9208 4.0306 4.0306 7.8532 7.8532 7.8739 7.8739 7.9482 7.9482 7.9484 7.9484 9.9223 9.9223 k = 0.3194 0.5000 0.2964 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7909 -18.7909 -18.7878 -18.7878 -18.7864 -18.7864 -18.7833 -18.7833 -3.4764 -3.4764 -3.4716 -3.4716 -1.7748 -1.7748 -1.7609 -1.7609 -1.6113 -1.6113 -1.5876 -1.5876 -1.4183 -1.4183 -1.4141 -1.4141 -1.3004 -1.3004 -1.2966 -1.2966 -1.1747 -1.1747 -1.1486 -1.1486 0.9920 0.9920 1.0459 1.0459 2.7736 2.7736 2.9232 2.9232 3.8612 3.8612 3.9731 3.9731 7.8477 7.8477 7.9173 7.9173 7.9585 7.9585 8.0069 8.0069 9.8170 9.8170 k = 0.3333 0.5000 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7908 -18.7908 -18.7880 -18.7880 -18.7863 -18.7863 -18.7834 -18.7834 -3.4590 -3.4590 -3.4544 -3.4544 -1.7771 -1.7771 -1.7646 -1.7646 -1.6057 -1.6057 -1.5835 -1.5835 -1.4194 -1.4194 -1.4159 -1.4159 -1.2968 -1.2968 -1.2935 -1.2935 -1.1695 -1.1695 -1.1441 -1.1441 0.9929 0.9929 1.0475 1.0475 2.7313 2.7313 2.8827 2.8827 3.7995 3.7995 3.9133 3.9133 7.8468 7.8468 7.9287 7.9287 8.0075 8.0075 8.0682 8.0682 9.7126 9.7126 k = 0.3472 0.5000 0.2964 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9655 -18.9655 -18.7908 -18.7908 -18.7882 -18.7882 -18.7862 -18.7862 -18.7834 -18.7834 -3.4423 -3.4423 -3.4379 -3.4379 -1.7793 -1.7793 -1.7682 -1.7682 -1.6000 -1.6000 -1.5795 -1.5795 -1.4206 -1.4206 -1.4176 -1.4176 -1.2933 -1.2933 -1.2905 -1.2905 -1.1643 -1.1643 -1.1398 -1.1398 0.9909 0.9909 1.0452 1.0452 2.6999 2.6999 2.8523 2.8523 3.7361 3.7361 3.8515 3.8515 7.8523 7.8523 7.9376 7.9376 8.0651 8.0651 8.1300 8.1300 9.6108 9.6108 k = 0.3611 0.5000 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9656 -18.9656 -18.9656 -18.9656 -18.7908 -18.7908 -18.7884 -18.7884 -18.7860 -18.7860 -18.7835 -18.7835 -3.4265 -3.4265 -3.4222 -3.4222 -1.7814 -1.7814 -1.7715 -1.7715 -1.5943 -1.5943 -1.5755 -1.5755 -1.4217 -1.4217 -1.4193 -1.4193 -1.2900 -1.2900 -1.2876 -1.2876 -1.1591 -1.1591 -1.1356 -1.1356 0.9862 0.9862 1.0392 1.0392 2.6795 2.6795 2.8319 2.8319 3.6716 3.6716 3.7881 3.7881 7.8641 7.8641 7.9516 7.9516 8.1227 8.1227 8.1914 8.1914 9.5129 9.5129 k = 0.3750 0.5000 0.2964 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7907 -18.7907 -18.7886 -18.7886 -18.7859 -18.7859 -18.7836 -18.7836 -3.4116 -3.4116 -3.4076 -3.4076 -1.7833 -1.7833 -1.7746 -1.7746 -1.5888 -1.5888 -1.5716 -1.5716 -1.4227 -1.4227 -1.4209 -1.4209 -1.2869 -1.2869 -1.2849 -1.2849 -1.1538 -1.1538 -1.1318 -1.1318 0.9791 0.9791 1.0298 1.0298 2.6698 2.6698 2.8211 2.8211 3.6063 3.6063 3.7237 3.7237 7.8821 7.8821 7.9713 7.9713 8.1781 8.1781 8.2514 8.2514 9.4201 9.4201 k = 0.3889 0.5000 0.2964 ( 9260 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9656 -18.9656 -18.7907 -18.7907 -18.7888 -18.7888 -18.7858 -18.7858 -18.7838 -18.7838 -3.3977 -3.3977 -3.3941 -3.3941 -1.7850 -1.7850 -1.7774 -1.7774 -1.5834 -1.5834 -1.5679 -1.5679 -1.4237 -1.4237 -1.4224 -1.4224 -1.2840 -1.2840 -1.2824 -1.2824 -1.1487 -1.1487 -1.1282 -1.1282 0.9703 0.9703 1.0177 1.0177 2.6700 2.6700 2.8193 2.8193 3.5408 3.5408 3.6586 3.6586 7.9060 7.9060 7.9966 7.9966 8.2299 8.2299 8.3085 8.3085 9.3339 9.3339 k = 0.4028 0.5000 0.2964 ( 9260 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7906 -18.7906 -18.7889 -18.7889 -18.7857 -18.7857 -18.7839 -18.7839 -3.3852 -3.3852 -3.3819 -3.3819 -1.7865 -1.7865 -1.7800 -1.7800 -1.5783 -1.5783 -1.5645 -1.5645 -1.4247 -1.4247 -1.4237 -1.4237 -1.2814 -1.2814 -1.2800 -1.2800 -1.1437 -1.1437 -1.1251 -1.1251 0.9605 0.9605 1.0036 1.0036 2.6796 2.6796 2.8256 2.8256 3.4759 3.4759 3.5935 3.5935 7.9351 7.9351 8.0270 8.0270 8.2761 8.2761 8.3610 8.3610 9.2561 9.2561 k = 0.4167 0.5000 0.2964 ( 9264 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7906 -18.7906 -18.7891 -18.7891 -18.7855 -18.7855 -18.7840 -18.7840 -3.3740 -3.3740 -3.3711 -3.3711 -1.7878 -1.7878 -1.7823 -1.7823 -1.5735 -1.5735 -1.5614 -1.5614 -1.4256 -1.4256 -1.4249 -1.4249 -1.2791 -1.2791 -1.2780 -1.2780 -1.1389 -1.1389 -1.1224 -1.1224 0.9504 0.9504 0.9886 0.9886 2.6974 2.6974 2.8388 2.8388 3.4125 3.4125 3.5290 3.5290 7.9690 7.9690 8.0619 8.0619 8.3143 8.3143 8.4063 8.4063 9.1885 9.1885 k = 0.4306 0.5000 0.2964 ( 9268 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9657 -18.9657 -18.7905 -18.7905 -18.7893 -18.7893 -18.7854 -18.7854 -18.7841 -18.7841 -3.3642 -3.3642 -3.3618 -3.3618 -1.7888 -1.7888 -1.7844 -1.7844 -1.5690 -1.5690 -1.5589 -1.5589 -1.4264 -1.4264 -1.4260 -1.4260 -1.2770 -1.2770 -1.2762 -1.2762 -1.1343 -1.1343 -1.1202 -1.1202 0.9408 0.9408 0.9735 0.9735 2.7224 2.7224 2.8573 2.8573 3.3520 3.3520 3.4657 3.4657 8.0070 8.0070 8.1003 8.1003 8.3422 8.3422 8.4409 8.4409 9.1328 9.1328 k = 0.4444 0.5000 0.2964 ( 9260 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9657 -18.9657 -18.7904 -18.7904 -18.7894 -18.7894 -18.7853 -18.7853 -18.7842 -18.7842 -3.3561 -3.3561 -3.3541 -3.3541 -1.7896 -1.7896 -1.7861 -1.7861 -1.5651 -1.5651 -1.5569 -1.5569 -1.4271 -1.4271 -1.4269 -1.4269 -1.2753 -1.2753 -1.2747 -1.2747 -1.1302 -1.1302 -1.1186 -1.1186 0.9325 0.9325 0.9591 0.9591 2.7533 2.7533 2.8787 2.8787 3.2963 3.2963 3.4046 3.4046 8.0481 8.0481 8.1407 8.1407 8.3579 8.3579 8.4610 8.4610 9.0848 9.0848 k = 0.4583 0.5000 0.2964 ( 9264 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9657 -18.9657 -18.7903 -18.7903 -18.7896 -18.7896 -18.7851 -18.7851 -18.7843 -18.7843 -3.3496 -3.3496 -3.3480 -3.3480 -1.7902 -1.7902 -1.7876 -1.7876 -1.5617 -1.5617 -1.5555 -1.5555 -1.4278 -1.4278 -1.4277 -1.4277 -1.2740 -1.2740 -1.2735 -1.2735 -1.1265 -1.1265 -1.1176 -1.1176 0.9261 0.9261 0.9463 0.9463 2.7884 2.7884 2.8992 2.8992 3.2490 3.2490 3.3468 3.3468 8.0912 8.0912 8.1802 8.1802 8.3621 8.3621 8.4639 8.4639 9.0537 9.0537 k = 0.4722 0.5000 0.2964 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7903 -18.7903 -18.7898 -18.7898 -18.7850 -18.7850 -18.7845 -18.7845 -3.3448 -3.3448 -3.3438 -3.3438 -1.7905 -1.7905 -1.7887 -1.7887 -1.5589 -1.5589 -1.5547 -1.5547 -1.4282 -1.4282 -1.4282 -1.4282 -1.2730 -1.2730 -1.2727 -1.2727 -1.1233 -1.1233 -1.1173 -1.1173 0.9221 0.9221 0.9357 0.9357 2.8258 2.8258 2.9125 2.9125 3.2160 3.2160 3.2941 3.2941 8.1345 8.1345 8.2121 8.2121 8.3611 8.3611 8.4500 8.4500 9.0381 9.0381 k = 0.4861 0.5000 0.2964 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7902 -18.7902 -18.7899 -18.7899 -18.7849 -18.7849 -18.7846 -18.7846 -3.3418 -3.3418 -3.3413 -3.3413 -1.7905 -1.7905 -1.7896 -1.7896 -1.5568 -1.5568 -1.5547 -1.5547 -1.4285 -1.4285 -1.4285 -1.4285 -1.2724 -1.2724 -1.2722 -1.2722 -1.1208 -1.1208 -1.1177 -1.1177 0.9209 0.9209 0.9278 0.9278 2.8624 2.8624 2.9115 2.9115 3.2045 3.2045 3.2493 3.2493 8.1752 8.1752 8.2236 8.2236 8.3687 8.3687 8.4236 8.4236 9.0334 9.0334 k = 0.5000 0.5000 0.2964 ( 9272 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3406 -3.3406 -3.3406 -3.3406 -1.7902 -1.7902 -1.7902 -1.7902 -1.5554 -1.5554 -1.5554 -1.5554 -1.4286 -1.4286 -1.4286 -1.4286 -1.2721 -1.2721 -1.2721 -1.2721 -1.1189 -1.1189 -1.1189 -1.1189 0.9228 0.9228 0.9228 0.9228 2.8932 2.8932 2.8932 2.8932 3.2172 3.2172 3.2172 3.2172 8.2082 8.2082 8.2082 8.2082 8.3927 8.3927 8.3927 8.3927 9.0347 9.0347 k = 0.5000 0.5000 0.2964 ( 9272 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3406 -3.3406 -3.3406 -3.3406 -1.7902 -1.7902 -1.7902 -1.7902 -1.5554 -1.5554 -1.5554 -1.5554 -1.4286 -1.4286 -1.4286 -1.4286 -1.2721 -1.2721 -1.2721 -1.2721 -1.1189 -1.1189 -1.1189 -1.1189 0.9228 0.9228 0.9228 0.9228 2.8932 2.8932 2.8932 2.8932 3.2172 3.2172 3.2172 3.2172 8.2082 8.2082 8.2082 8.2082 8.3927 8.3927 8.3927 8.3927 9.0347 9.0347 k = 0.4902 0.4902 0.2964 ( 9282 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7902 -18.7902 -18.7899 -18.7899 -18.7849 -18.7849 -18.7846 -18.7846 -3.3422 -3.3422 -3.3409 -3.3409 -1.7905 -1.7905 -1.7896 -1.7896 -1.5568 -1.5568 -1.5547 -1.5547 -1.4286 -1.4286 -1.4285 -1.4285 -1.2724 -1.2724 -1.2722 -1.2722 -1.1209 -1.1209 -1.1176 -1.1176 0.9209 0.9209 0.9278 0.9278 2.8609 2.8609 2.9135 2.9135 3.2029 3.2029 3.2504 3.2504 8.1741 8.1741 8.2253 8.2253 8.3665 8.3665 8.4255 8.4255 9.0332 9.0332 k = 0.4804 0.4804 0.2964 ( 9282 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7903 -18.7903 -18.7898 -18.7898 -18.7850 -18.7850 -18.7845 -18.7845 -3.3469 -3.3469 -3.3417 -3.3417 -1.7907 -1.7907 -1.7885 -1.7885 -1.5589 -1.5589 -1.5547 -1.5547 -1.4284 -1.4284 -1.4280 -1.4280 -1.2731 -1.2731 -1.2726 -1.2726 -1.1244 -1.1244 -1.1163 -1.1163 0.9220 0.9220 0.9360 0.9360 2.8162 2.8162 2.9269 2.9269 3.2041 3.2041 3.3011 3.3011 8.1277 8.1277 8.2218 8.2218 8.3483 8.3483 8.4635 8.4635 9.0349 9.0349 k = 0.4706 0.4706 0.2964 ( 9270 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9657 -18.9657 -18.7904 -18.7904 -18.7896 -18.7896 -18.7851 -18.7851 -18.7843 -18.7843 -3.3545 -3.3545 -3.3431 -3.3431 -1.7910 -1.7910 -1.7868 -1.7868 -1.5617 -1.5617 -1.5555 -1.5555 -1.4282 -1.4282 -1.4272 -1.4272 -1.2742 -1.2742 -1.2733 -1.2733 -1.1295 -1.1295 -1.1145 -1.1145 0.9258 0.9258 0.9475 0.9475 2.7632 2.7632 2.9383 2.9383 3.2167 3.2167 3.3641 3.3641 8.0735 8.0735 8.1967 8.1967 8.3397 8.3397 8.5042 8.5042 9.0403 9.0403 k = 0.4608 0.4608 0.2964 ( 9266 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9657 -18.9657 -18.7904 -18.7904 -18.7894 -18.7894 -18.7853 -18.7853 -18.7842 -18.7842 -3.3653 -3.3653 -3.3450 -3.3450 -1.7913 -1.7913 -1.7845 -1.7845 -1.5651 -1.5651 -1.5569 -1.5569 -1.4280 -1.4280 -1.4261 -1.4261 -1.2757 -1.2757 -1.2743 -1.2743 -1.1363 -1.1363 -1.1124 -1.1124 0.9322 0.9322 0.9622 0.9622 2.7064 2.7064 2.9506 2.9506 3.2379 3.2379 3.4349 3.4349 8.0149 8.0149 8.1537 8.1537 8.3389 8.3389 8.5455 8.5455 9.0496 9.0496 k = 0.4510 0.4510 0.2964 ( 9250 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9656 -18.9656 -18.7905 -18.7905 -18.7893 -18.7893 -18.7854 -18.7854 -18.7841 -18.7841 -3.3790 -3.3790 -3.3475 -3.3475 -1.7916 -1.7916 -1.7817 -1.7817 -1.5690 -1.5690 -1.5590 -1.5590 -1.4276 -1.4276 -1.4248 -1.4248 -1.2775 -1.2775 -1.2755 -1.2755 -1.1446 -1.1446 -1.1098 -1.1098 0.9411 0.9411 0.9801 0.9801 2.6485 2.6485 2.9648 2.9648 3.2666 3.2666 3.5105 3.5105 7.9543 7.9543 8.0988 8.0988 8.3428 8.3428 8.5861 8.5861 9.0627 9.0627 k = 0.4412 0.4412 0.2964 ( 9256 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9656 -18.9656 -18.7906 -18.7906 -18.7891 -18.7891 -18.7855 -18.7855 -18.7840 -18.7840 -3.3956 -3.3956 -3.3506 -3.3506 -1.7921 -1.7921 -1.7784 -1.7784 -1.5735 -1.5735 -1.5617 -1.5617 -1.4271 -1.4271 -1.4232 -1.4232 -1.2796 -1.2796 -1.2770 -1.2770 -1.1540 -1.1540 -1.1069 -1.1069 0.9525 0.9525 1.0008 1.0008 2.5914 2.5914 2.9814 2.9814 3.3018 3.3018 3.5891 3.5891 7.8934 7.8934 8.0365 8.0365 8.3496 8.3496 8.6259 8.6259 9.0791 9.0791 k = 0.4314 0.4314 0.2964 ( 9258 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9659 -18.9659 -18.9655 -18.9655 -18.7906 -18.7906 -18.7889 -18.7889 -18.7856 -18.7856 -18.7839 -18.7839 -3.4150 -3.4150 -3.3542 -3.3542 -1.7925 -1.7925 -1.7746 -1.7746 -1.5785 -1.5785 -1.5649 -1.5649 -1.4266 -1.4266 -1.4215 -1.4215 -1.2820 -1.2820 -1.2788 -1.2788 -1.1644 -1.1644 -1.1039 -1.1039 0.9663 0.9663 1.0242 1.0242 2.5361 2.5361 3.0008 3.0008 3.3431 3.3431 3.6693 3.6693 7.8336 7.8336 7.9702 7.9702 8.3584 8.3584 8.6647 8.6647 9.0986 9.0986 k = 0.4216 0.4216 0.2964 ( 9266 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9659 -18.9659 -18.9655 -18.9655 -18.7907 -18.7907 -18.7888 -18.7888 -18.7858 -18.7858 -18.7838 -18.7838 -3.4372 -3.4372 -3.3583 -3.3583 -1.7931 -1.7931 -1.7705 -1.7705 -1.5839 -1.5839 -1.5684 -1.5684 -1.4261 -1.4261 -1.4195 -1.4195 -1.2845 -1.2845 -1.2809 -1.2809 -1.1754 -1.1754 -1.1008 -1.1008 0.9824 0.9824 1.0499 1.0499 2.4834 2.4834 3.0230 3.0230 3.3899 3.3899 3.7502 3.7502 7.7758 7.7758 7.9021 7.9021 8.3688 8.3688 8.7028 8.7028 9.1210 9.1210 k = 0.4118 0.4118 0.2964 ( 9266 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9659 -18.9659 -18.9654 -18.9654 -18.7908 -18.7908 -18.7886 -18.7886 -18.7859 -18.7859 -18.7837 -18.7837 -3.4621 -3.4621 -3.3629 -3.3629 -1.7937 -1.7937 -1.7660 -1.7660 -1.5897 -1.5897 -1.5722 -1.5722 -1.4254 -1.4254 -1.4174 -1.4174 -1.2871 -1.2871 -1.2833 -1.2833 -1.1867 -1.1867 -1.0978 -1.0978 1.0008 1.0008 1.0778 1.0778 2.4339 2.4339 3.0481 3.0481 3.4419 3.4419 3.8311 3.8311 7.7210 7.7210 7.8341 7.8341 8.3806 8.3806 8.7407 8.7407 9.1460 9.1460 k = 0.4020 0.4020 0.2964 ( 9252 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9659 -18.9659 -18.9653 -18.9653 -18.7908 -18.7908 -18.7884 -18.7884 -18.7860 -18.7860 -18.7835 -18.7835 -3.4895 -3.4895 -3.3681 -3.3681 -1.7943 -1.7943 -1.7613 -1.7613 -1.5958 -1.5958 -1.5761 -1.5761 -1.4247 -1.4247 -1.4151 -1.4151 -1.2898 -1.2898 -1.2860 -1.2860 -1.1980 -1.1980 -1.0950 -1.0950 1.0216 1.0216 1.1074 1.1074 2.3879 2.3879 3.0761 3.0761 3.4985 3.4985 3.9113 3.9113 7.6698 7.6698 7.7679 7.7679 8.3936 8.3936 8.7787 8.7787 9.1739 9.1739 k = 0.3922 0.3922 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9659 -18.9659 -18.9652 -18.9652 -18.7908 -18.7908 -18.7882 -18.7882 -18.7862 -18.7862 -18.7834 -18.7834 -3.5192 -3.5192 -3.3738 -3.3738 -1.7950 -1.7950 -1.7566 -1.7566 -1.6023 -1.6023 -1.5801 -1.5801 -1.4240 -1.4240 -1.4127 -1.4127 -1.2926 -1.2926 -1.2891 -1.2891 -1.2089 -1.2089 -1.0926 -1.0926 1.0447 1.0447 1.1386 1.1386 2.3457 2.3457 3.1070 3.1070 3.5592 3.5592 3.9901 3.9901 7.6230 7.6230 7.7047 7.7047 8.4076 8.4076 8.8172 8.8172 9.2044 9.2044 k = 0.3824 0.3824 0.2964 ( 9256 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9660 -18.9660 -18.9651 -18.9651 -18.7909 -18.7909 -18.7880 -18.7880 -18.7863 -18.7863 -18.7834 -18.7834 -3.5512 -3.5512 -3.3800 -3.3800 -1.7957 -1.7957 -1.7518 -1.7518 -1.6091 -1.6091 -1.5839 -1.5839 -1.4233 -1.4233 -1.4101 -1.4101 -1.2954 -1.2954 -1.2925 -1.2925 -1.2193 -1.2193 -1.0906 -1.0906 1.0700 1.0700 1.1712 1.1712 2.3077 2.3077 3.1408 3.1408 3.6236 3.6236 4.0669 4.0669 7.5807 7.5807 7.6460 7.6460 8.4225 8.4225 8.8564 8.8564 9.2377 9.2377 k = 0.3725 0.3725 0.2964 ( 9256 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9660 -18.9660 -18.9650 -18.9650 -18.7909 -18.7909 -18.7878 -18.7878 -18.7864 -18.7864 -18.7833 -18.7833 -3.5852 -3.5852 -3.3867 -3.3867 -1.7964 -1.7964 -1.7472 -1.7472 -1.6160 -1.6160 -1.5877 -1.5877 -1.4225 -1.4225 -1.4073 -1.4073 -1.2986 -1.2986 -1.2961 -1.2961 -1.2289 -1.2289 -1.0892 -1.0892 1.0977 1.0977 1.2048 1.2048 2.2740 2.2740 3.1774 3.1774 3.6909 3.6909 4.1411 4.1411 7.5429 7.5429 7.5938 7.5938 8.4379 8.4379 8.8966 8.8966 9.2738 9.2738 k = 0.3627 0.3627 0.2964 ( 9244 PWs) bands (ev): -46.9189 -46.9189 -46.9188 -46.9188 -18.9660 -18.9660 -18.9649 -18.9649 -18.7909 -18.7909 -18.7876 -18.7876 -18.7866 -18.7866 -18.7832 -18.7832 -3.6211 -3.6211 -3.3939 -3.3939 -1.7971 -1.7971 -1.7428 -1.7428 -1.6232 -1.6232 -1.5912 -1.5912 -1.4217 -1.4217 -1.4043 -1.4043 -1.3027 -1.3027 -1.2993 -1.2993 -1.2374 -1.2374 -1.0884 -1.0884 1.1277 1.1277 1.2393 1.2393 2.2449 2.2449 3.2168 3.2168 3.7606 3.7606 4.2120 4.2120 7.5082 7.5082 7.5508 7.5508 8.4537 8.4537 8.9381 8.9381 9.3126 9.3126 k = 0.3529 0.3529 0.2964 ( 9250 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9661 -18.9661 -18.9648 -18.9648 -18.7909 -18.7909 -18.7874 -18.7874 -18.7867 -18.7867 -18.7831 -18.7831 -3.6586 -3.6586 -3.4015 -3.4015 -1.7978 -1.7978 -1.7387 -1.7387 -1.6304 -1.6304 -1.5945 -1.5945 -1.4210 -1.4210 -1.4011 -1.4011 -1.3078 -1.3078 -1.3018 -1.3018 -1.2447 -1.2447 -1.0884 -1.0884 1.1599 1.1599 1.2746 1.2746 2.2204 2.2204 3.2590 3.2590 3.8322 3.8322 4.2790 4.2790 7.4745 7.4745 7.5205 7.5205 8.4696 8.4696 8.9810 8.9810 9.3542 9.3542 k = 0.3431 0.3431 0.2964 ( 9250 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9661 -18.9661 -18.9647 -18.9647 -18.7909 -18.7909 -18.7872 -18.7872 -18.7868 -18.7868 -18.7830 -18.7830 -3.6977 -3.6977 -3.4096 -3.4096 -1.7984 -1.7984 -1.7351 -1.7351 -1.6376 -1.6376 -1.5975 -1.5975 -1.4205 -1.4205 -1.3977 -1.3977 -1.3137 -1.3137 -1.3040 -1.3040 -1.2507 -1.2507 -1.0892 -1.0892 1.1943 1.1943 1.3107 1.3107 2.2007 2.2007 3.3038 3.3038 3.9049 3.9049 4.3414 4.3414 7.4432 7.4432 7.5029 7.5029 8.4850 8.4850 9.0255 9.0255 9.3985 9.3985 k = 0.3333 0.3333 0.2964 ( 9256 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9662 -18.9662 -18.9646 -18.9646 -18.7909 -18.7909 -18.7871 -18.7871 -18.7868 -18.7868 -18.7829 -18.7829 -3.7379 -3.7379 -3.4181 -3.4181 -1.7991 -1.7991 -1.7319 -1.7319 -1.6448 -1.6448 -1.6003 -1.6003 -1.4200 -1.4200 -1.3940 -1.3940 -1.3200 -1.3200 -1.3059 -1.3059 -1.2555 -1.2555 -1.0909 -1.0909 1.2307 1.2307 1.3475 1.3475 2.1859 2.1859 3.3512 3.3512 3.9781 3.9781 4.3986 4.3986 7.4172 7.4172 7.4965 7.4965 8.4995 8.4995 9.0715 9.0715 9.4456 9.4456 k = 0.3235 0.3235 0.2964 ( 9248 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9662 -18.9662 -18.9644 -18.9644 -18.7908 -18.7908 -18.7871 -18.7871 -18.7867 -18.7867 -18.7828 -18.7828 -3.7792 -3.7792 -3.4269 -3.4269 -1.7996 -1.7996 -1.7293 -1.7293 -1.6519 -1.6519 -1.6028 -1.6028 -1.4198 -1.4198 -1.3899 -1.3899 -1.3265 -1.3265 -1.3075 -1.3075 -1.2592 -1.2592 -1.0934 -1.0934 1.2691 1.2691 1.3850 1.3850 2.1760 2.1760 3.4012 3.4012 4.0513 4.0513 4.4500 4.4500 7.3986 7.3986 7.5002 7.5002 8.5125 8.5125 9.1193 9.1193 9.4953 9.4953 k = 0.3137 0.3137 0.2964 ( 9246 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9662 -18.9662 -18.9643 -18.9643 -18.7908 -18.7908 -18.7872 -18.7872 -18.7865 -18.7865 -18.7828 -18.7828 -3.8214 -3.8214 -3.4362 -3.4362 -1.8002 -1.8002 -1.7272 -1.7272 -1.6588 -1.6588 -1.6053 -1.6053 -1.4200 -1.4200 -1.3856 -1.3856 -1.3330 -1.3330 -1.3088 -1.3088 -1.2619 -1.2619 -1.0968 -1.0968 1.3091 1.3091 1.4235 1.4235 2.1712 2.1712 3.4537 3.4537 4.1238 4.1238 4.4952 4.4952 7.3884 7.3884 7.5138 7.5138 8.5232 8.5232 9.1687 9.1687 9.5478 9.5478 k = 0.3039 0.3039 0.2964 ( 9242 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9663 -18.9663 -18.9642 -18.9642 -18.7907 -18.7907 -18.7873 -18.7873 -18.7863 -18.7863 -18.7827 -18.7827 -3.8642 -3.8642 -3.4458 -3.4458 -1.8006 -1.8006 -1.7257 -1.7257 -1.6656 -1.6656 -1.6077 -1.6077 -1.4206 -1.4206 -1.3810 -1.3810 -1.3391 -1.3391 -1.3100 -1.3100 -1.2638 -1.2638 -1.1010 -1.1010 1.3503 1.3503 1.4631 1.4631 2.1712 2.1712 3.5085 3.5085 4.1952 4.1952 4.5339 4.5339 7.3873 7.3873 7.5375 7.5375 8.5305 8.5305 9.2197 9.2197 9.6029 9.6029 k = 0.2941 0.2941 0.2964 ( 9232 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9663 -18.9663 -18.9640 -18.9640 -18.7907 -18.7907 -18.7874 -18.7874 -18.7861 -18.7861 -18.7827 -18.7827 -3.9074 -3.9074 -3.4557 -3.4557 -1.8010 -1.8010 -1.7247 -1.7247 -1.6723 -1.6723 -1.6102 -1.6102 -1.4217 -1.4217 -1.3761 -1.3761 -1.3447 -1.3447 -1.3108 -1.3108 -1.2648 -1.2648 -1.1061 -1.1061 1.3921 1.3921 1.5045 1.5045 2.1763 2.1763 3.5656 3.5656 4.2649 4.2649 4.5658 4.5658 7.3958 7.3958 7.5714 7.5714 8.5332 8.5332 9.2723 9.2723 9.6607 9.6607 k = 0.2843 0.2843 0.2964 ( 9224 PWs) bands (ev): -46.9190 -46.9190 -46.9188 -46.9188 -18.9663 -18.9663 -18.9638 -18.9638 -18.7906 -18.7906 -18.7875 -18.7875 -18.7859 -18.7859 -18.7826 -18.7826 -3.9508 -3.9508 -3.4659 -3.4659 -1.8013 -1.8013 -1.7241 -1.7241 -1.6787 -1.6787 -1.6127 -1.6127 -1.4235 -1.4235 -1.3709 -1.3709 -1.3497 -1.3497 -1.3115 -1.3115 -1.2650 -1.2650 -1.1119 -1.1119 1.4339 1.4339 1.5483 1.5483 2.1862 2.1862 3.6250 3.6250 4.3327 4.3327 4.5909 4.5909 7.4139 7.4139 7.6156 7.6156 8.5297 8.5297 9.3262 9.3262 9.7211 9.7211 k = 0.2745 0.2745 0.2964 ( 9220 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9663 -18.9663 -18.9637 -18.9637 -18.7905 -18.7905 -18.7876 -18.7876 -18.7857 -18.7857 -18.7825 -18.7825 -3.9943 -3.9943 -3.4763 -3.4763 -1.8015 -1.8015 -1.7240 -1.7240 -1.6850 -1.6850 -1.6154 -1.6154 -1.4259 -1.4259 -1.3656 -1.3656 -1.3539 -1.3539 -1.3119 -1.3119 -1.2645 -1.2645 -1.1183 -1.1183 1.4748 1.4748 1.5951 1.5951 2.2009 2.2009 3.6863 3.6863 4.3981 4.3981 4.6094 4.6094 7.4417 7.4417 7.6698 7.6698 8.5181 8.5181 9.3813 9.3813 9.7840 9.7840 k = 0.2647 0.2647 0.2964 ( 9222 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9664 -18.9664 -18.9636 -18.9636 -18.7905 -18.7905 -18.7877 -18.7877 -18.7855 -18.7855 -18.7825 -18.7825 -4.0377 -4.0377 -3.4870 -3.4870 -1.8016 -1.8016 -1.7243 -1.7243 -1.6911 -1.6911 -1.6183 -1.6183 -1.4289 -1.4289 -1.3603 -1.3603 -1.3573 -1.3573 -1.3121 -1.3121 -1.2632 -1.2632 -1.1253 -1.1253 1.5140 1.5140 1.6457 1.6457 2.2204 2.2204 3.7496 3.7496 4.4609 4.4609 4.6219 4.6219 7.4788 7.4788 7.7340 7.7340 8.4962 8.4962 9.4372 9.4372 9.8493 9.8493 k = 0.2549 0.2549 0.2964 ( 9220 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9664 -18.9664 -18.9634 -18.9634 -18.7904 -18.7904 -18.7877 -18.7877 -18.7853 -18.7853 -18.7825 -18.7825 -4.0807 -4.0807 -3.4978 -3.4978 -1.8017 -1.8017 -1.7249 -1.7249 -1.6969 -1.6969 -1.6214 -1.6214 -1.4325 -1.4325 -1.3600 -1.3600 -1.3549 -1.3549 -1.3122 -1.3122 -1.2612 -1.2612 -1.1328 -1.1328 1.5512 1.5512 1.7003 1.7003 2.2444 2.2444 3.8146 3.8146 4.5204 4.5204 4.6294 4.6294 7.5248 7.5248 7.8078 7.8078 8.4618 8.4618 9.4932 9.4932 9.9170 9.9170 k = 0.2451 0.2451 0.2964 ( 9216 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9664 -18.9664 -18.9633 -18.9633 -18.7903 -18.7903 -18.7878 -18.7878 -18.7850 -18.7850 -18.7825 -18.7825 -4.1233 -4.1233 -3.5087 -3.5087 -1.8017 -1.8017 -1.7257 -1.7257 -1.7026 -1.7026 -1.6248 -1.6248 -1.4365 -1.4365 -1.3621 -1.3621 -1.3498 -1.3498 -1.3122 -1.3122 -1.2585 -1.2585 -1.1405 -1.1405 1.5862 1.5862 1.7591 1.7591 2.2729 2.2729 3.8811 3.8811 4.5734 4.5734 4.6361 4.6361 7.5793 7.5793 7.8904 7.8904 8.4128 8.4128 9.5486 9.5486 9.9868 9.9868 k = 0.2353 0.2353 0.2964 ( 9216 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9665 -18.9665 -18.9631 -18.9631 -18.7902 -18.7902 -18.7879 -18.7879 -18.7848 -18.7848 -18.7824 -18.7824 -4.1653 -4.1653 -3.5198 -3.5198 -1.8016 -1.8016 -1.7267 -1.7267 -1.7082 -1.7082 -1.6284 -1.6284 -1.4407 -1.4407 -1.3637 -1.3637 -1.3451 -1.3451 -1.3121 -1.3121 -1.2550 -1.2550 -1.1484 -1.1484 1.6191 1.6191 1.8217 1.8217 2.3057 2.3057 3.9487 3.9487 4.6030 4.6030 4.6596 4.6596 7.6413 7.6413 7.9808 7.9808 8.3482 8.3482 9.6013 9.6013 9.9894 9.9894 k = 0.2255 0.2255 0.2964 ( 9234 PWs) bands (ev): -46.9191 -46.9191 -46.9187 -46.9187 -18.9666 -18.9666 -18.9630 -18.9630 -18.7902 -18.7902 -18.7880 -18.7880 -18.7847 -18.7847 -18.7824 -18.7824 -4.2064 -4.2064 -3.5308 -3.5308 -1.8015 -1.8015 -1.7279 -1.7279 -1.7135 -1.7135 -1.6323 -1.6323 -1.4452 -1.4452 -1.3650 -1.3650 -1.3407 -1.3407 -1.3120 -1.3120 -1.2508 -1.2508 -1.1562 -1.1562 1.6501 1.6501 1.8880 1.8880 2.3426 2.3426 4.0170 4.0170 4.6036 4.6036 4.7068 4.7068 7.7100 7.7100 8.0763 8.0763 8.2696 8.2696 9.6444 9.6444 9.8246 9.8246 k = 0.2157 0.2157 0.2964 ( 9236 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9666 -18.9666 -18.9628 -18.9628 -18.7901 -18.7901 -18.7881 -18.7881 -18.7845 -18.7845 -18.7824 -18.7824 -4.2467 -4.2467 -3.5419 -3.5419 -1.8013 -1.8013 -1.7292 -1.7292 -1.7187 -1.7187 -1.6363 -1.6363 -1.4497 -1.4497 -1.3660 -1.3660 -1.3369 -1.3369 -1.3119 -1.3119 -1.2462 -1.2462 -1.1637 -1.1637 1.6791 1.6791 1.9578 1.9578 2.3835 2.3835 4.0852 4.0852 4.5954 4.5954 4.7592 4.7592 7.7836 7.7836 8.1371 8.1371 8.2173 8.2173 9.6044 9.6044 9.7380 9.7380 k = 0.2059 0.2059 0.2964 ( 9232 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9627 -18.9627 -18.7900 -18.7900 -18.7882 -18.7882 -18.7843 -18.7843 -18.7824 -18.7824 -4.2859 -4.2859 -3.5529 -3.5529 -1.8011 -1.8011 -1.7306 -1.7306 -1.7238 -1.7238 -1.6405 -1.6405 -1.4541 -1.4541 -1.3667 -1.3667 -1.3337 -1.3337 -1.3119 -1.3119 -1.2412 -1.2412 -1.1706 -1.1706 1.7065 1.7065 2.0309 2.0309 2.4282 2.4282 4.1521 4.1521 4.5847 4.5847 4.8121 4.8121 7.8554 7.8554 8.0542 8.0542 8.3068 8.3068 9.4479 9.4479 9.7636 9.7636 k = 0.1961 0.1961 0.2964 ( 9228 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9625 -18.9625 -18.7899 -18.7899 -18.7883 -18.7883 -18.7841 -18.7841 -18.7824 -18.7824 -4.3240 -4.3240 -3.5638 -3.5638 -1.8009 -1.8009 -1.7322 -1.7322 -1.7286 -1.7286 -1.6448 -1.6448 -1.4584 -1.4584 -1.3674 -1.3674 -1.3312 -1.3312 -1.3118 -1.3118 -1.2362 -1.2362 -1.1766 -1.1766 1.7321 1.7321 2.1070 2.1070 2.4764 2.4764 4.2154 4.2154 4.5753 4.5753 4.8652 4.8652 7.8670 7.8670 8.0051 8.0051 8.4188 8.4188 9.2812 9.2812 9.7943 9.7943 k = 0.1863 0.1863 0.2964 ( 9230 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9667 -18.9667 -18.9624 -18.9624 -18.7899 -18.7899 -18.7883 -18.7883 -18.7840 -18.7840 -18.7823 -18.7823 -4.3609 -4.3609 -3.5745 -3.5745 -1.8007 -1.8007 -1.7344 -1.7344 -1.7326 -1.7326 -1.6491 -1.6491 -1.4625 -1.4625 -1.3680 -1.3680 -1.3295 -1.3295 -1.3117 -1.3117 -1.2318 -1.2318 -1.1811 -1.1811 1.7561 1.7561 2.1860 2.1860 2.5280 2.5280 4.2710 4.2710 4.5717 4.5717 4.9183 4.9183 7.7558 7.7558 8.0714 8.0714 8.5338 8.5338 9.1170 9.1170 9.8163 9.8163 k = 0.1765 0.1765 0.2964 ( 9222 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9622 -18.9622 -18.7898 -18.7898 -18.7884 -18.7884 -18.7838 -18.7838 -18.7823 -18.7823 -4.3963 -4.3963 -3.5851 -3.5851 -1.8005 -1.8005 -1.7385 -1.7385 -1.7347 -1.7347 -1.6535 -1.6535 -1.4663 -1.4663 -1.3686 -1.3686 -1.3288 -1.3288 -1.3114 -1.3114 -1.2284 -1.2284 -1.1835 -1.1835 1.7784 1.7784 2.2677 2.2677 2.5828 2.5828 4.3120 4.3120 4.5812 4.5812 4.9718 4.9718 7.6154 7.6154 8.1625 8.1625 8.6461 8.6461 8.9594 8.9594 9.8262 9.8262 k = 0.1667 0.1667 0.2964 ( 9214 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9621 -18.9621 -18.7897 -18.7897 -18.7884 -18.7884 -18.7837 -18.7837 -18.7823 -18.7823 -4.4303 -4.4303 -3.5954 -3.5954 -1.8003 -1.8003 -1.7429 -1.7429 -1.7363 -1.7363 -1.6579 -1.6579 -1.4699 -1.4699 -1.3692 -1.3692 -1.3292 -1.3292 -1.3108 -1.3108 -1.2265 -1.2265 -1.1836 -1.1836 1.7992 1.7992 2.3519 2.3519 2.6406 2.6406 4.3320 4.3320 4.6102 4.6102 5.0260 5.0260 7.4659 7.4659 8.2595 8.2595 8.7269 8.7269 8.8350 8.8350 9.8204 9.8204 k = 0.1569 0.1569 0.2964 ( 9222 PWs) bands (ev): -46.9192 -46.9192 -46.9187 -46.9187 -18.9668 -18.9668 -18.9620 -18.9620 -18.7897 -18.7897 -18.7884 -18.7884 -18.7836 -18.7836 -18.7822 -18.7822 -4.4628 -4.4628 -3.6054 -3.6054 -1.8001 -1.8001 -1.7472 -1.7472 -1.7377 -1.7377 -1.6623 -1.6623 -1.4732 -1.4732 -1.3698 -1.3698 -1.3306 -1.3306 -1.3100 -1.3100 -1.2261 -1.2261 -1.1812 -1.1812 1.8184 1.8184 2.4383 2.4383 2.7013 2.7013 4.3317 4.3317 4.6581 4.6581 5.0809 5.0809 7.3114 7.3114 8.3568 8.3568 8.6349 8.6349 8.8833 8.8833 9.7806 9.7806 k = 0.1471 0.1471 0.2964 ( 9218 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9618 -18.9618 -18.7896 -18.7896 -18.7885 -18.7885 -18.7834 -18.7834 -18.7822 -18.7822 -4.4937 -4.4937 -3.6150 -3.6150 -1.8000 -1.8000 -1.7513 -1.7513 -1.7391 -1.7391 -1.6666 -1.6666 -1.4763 -1.4763 -1.3704 -1.3704 -1.3329 -1.3329 -1.3089 -1.3089 -1.2267 -1.2267 -1.1770 -1.1770 1.8361 1.8361 2.5267 2.5267 2.7647 2.7647 4.3176 4.3176 4.7184 4.7184 5.1367 5.1367 7.1543 7.1543 8.4194 8.4194 8.5358 8.5358 8.9655 8.9655 9.6730 9.6730 k = 0.1373 0.1373 0.2964 ( 9208 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9617 -18.9617 -18.7895 -18.7895 -18.7885 -18.7885 -18.7833 -18.7833 -18.7822 -18.7822 -4.5229 -4.5229 -3.6243 -3.6243 -1.8000 -1.8000 -1.7553 -1.7553 -1.7404 -1.7404 -1.6708 -1.6708 -1.4790 -1.4790 -1.3711 -1.3711 -1.3358 -1.3358 -1.3077 -1.3077 -1.2278 -1.2278 -1.1718 -1.1718 1.8523 1.8523 2.6166 2.6166 2.8306 2.8306 4.2953 4.2953 4.7850 4.7850 5.1937 5.1937 6.9960 6.9960 8.3258 8.3258 8.5965 8.5965 9.0268 9.0268 9.5425 9.5425 k = 0.1275 0.1275 0.2964 ( 9204 PWs) bands (ev): -46.9192 -46.9192 -46.9186 -46.9186 -18.9669 -18.9669 -18.9616 -18.9616 -18.7895 -18.7895 -18.7885 -18.7885 -18.7832 -18.7832 -18.7821 -18.7821 -4.5503 -4.5503 -3.6332 -3.6332 -1.8000 -1.8000 -1.7590 -1.7590 -1.7415 -1.7415 -1.6748 -1.6748 -1.4815 -1.4815 -1.3719 -1.3719 -1.3393 -1.3393 -1.3065 -1.3065 -1.2288 -1.2288 -1.1660 -1.1660 1.8671 1.8671 2.7075 2.7075 2.8992 2.8992 4.2681 4.2681 4.8544 4.8544 5.2516 5.2516 6.8379 6.8379 8.1969 8.1969 8.6974 8.6974 9.0583 9.0583 9.4108 9.4108 k = 0.1176 0.1176 0.2964 ( 9208 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9669 -18.9669 -18.9615 -18.9615 -18.7895 -18.7895 -18.7885 -18.7885 -18.7832 -18.7832 -18.7821 -18.7821 -4.5759 -4.5759 -3.6416 -3.6416 -1.8001 -1.8001 -1.7625 -1.7625 -1.7426 -1.7426 -1.6787 -1.6787 -1.4837 -1.4837 -1.3727 -1.3727 -1.3430 -1.3430 -1.3052 -1.3052 -1.2296 -1.2296 -1.1601 -1.1601 1.8805 1.8805 2.7987 2.7987 2.9705 2.9705 4.2377 4.2377 4.9245 4.9245 5.3105 5.3105 6.6809 6.6809 8.0702 8.0702 8.7962 8.7962 9.0635 9.0635 9.2823 9.2823 k = 0.1078 0.1078 0.2964 ( 9196 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9613 -18.9613 -18.7894 -18.7894 -18.7884 -18.7884 -18.7831 -18.7831 -18.7820 -18.7820 -4.5997 -4.5997 -3.6495 -3.6495 -1.8003 -1.8003 -1.7658 -1.7658 -1.7436 -1.7436 -1.6824 -1.6824 -1.4856 -1.4856 -1.3737 -1.3737 -1.3467 -1.3467 -1.3041 -1.3041 -1.2302 -1.2302 -1.1542 -1.1542 1.8925 1.8925 2.8893 2.8893 3.0447 3.0447 4.2051 4.2051 4.9936 4.9936 5.3702 5.3702 6.5261 6.5261 7.9496 7.9496 8.8702 8.8702 9.0653 9.0653 9.1618 9.1618 k = 0.0980 0.0980 0.2964 ( 9208 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9612 -18.9612 -18.7894 -18.7894 -18.7885 -18.7885 -18.7831 -18.7831 -18.7820 -18.7820 -4.6215 -4.6215 -3.6568 -3.6568 -1.8006 -1.8006 -1.7688 -1.7688 -1.7444 -1.7444 -1.6860 -1.6860 -1.4873 -1.4873 -1.3748 -1.3748 -1.3503 -1.3503 -1.3029 -1.3029 -1.2305 -1.2305 -1.1486 -1.1486 1.9032 1.9032 2.9781 2.9781 3.1220 3.1220 4.1707 4.1707 5.0607 5.0607 5.4301 5.4301 6.3743 6.3743 7.8362 7.8362 8.8793 8.8793 9.0276 9.0276 9.1350 9.1350 k = 0.0882 0.0882 0.2964 ( 9216 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9612 -18.9612 -18.7894 -18.7894 -18.7885 -18.7885 -18.7830 -18.7830 -18.7819 -18.7819 -4.6414 -4.6414 -3.6635 -3.6635 -1.8010 -1.8010 -1.7715 -1.7715 -1.7450 -1.7450 -1.6892 -1.6892 -1.4888 -1.4888 -1.3761 -1.3761 -1.3536 -1.3536 -1.3019 -1.3019 -1.2307 -1.2307 -1.1433 -1.1433 1.9126 1.9126 3.0640 3.0640 3.2025 3.2025 4.1348 4.1348 5.1249 5.1249 5.4899 5.4899 6.2266 6.2266 7.7308 7.7308 8.8347 8.8347 8.9219 8.9219 9.2277 9.2277 k = 0.0784 0.0784 0.2964 ( 9208 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9611 -18.9611 -18.7894 -18.7894 -18.7884 -18.7884 -18.7830 -18.7830 -18.7818 -18.7818 -4.6593 -4.6593 -3.6697 -3.6697 -1.8015 -1.8015 -1.7739 -1.7739 -1.7456 -1.7456 -1.6923 -1.6923 -1.4900 -1.4900 -1.3776 -1.3776 -1.3565 -1.3565 -1.3010 -1.3010 -1.2306 -1.2306 -1.1384 -1.1384 1.9209 1.9209 3.1461 3.1461 3.2859 3.2859 4.0977 4.0977 5.1852 5.1852 5.5486 5.5486 6.0841 6.0841 7.6343 7.6343 8.7657 8.7657 8.8262 8.8262 9.3392 9.3392 k = 0.0686 0.0686 0.2964 ( 9192 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9610 -18.9610 -18.7894 -18.7894 -18.7884 -18.7884 -18.7830 -18.7830 -18.7817 -18.7817 -4.6751 -4.6751 -3.6751 -3.6751 -1.8020 -1.8020 -1.7760 -1.7760 -1.7460 -1.7460 -1.6951 -1.6951 -1.4911 -1.4911 -1.3793 -1.3793 -1.3589 -1.3589 -1.3001 -1.3001 -1.2305 -1.2305 -1.1340 -1.1340 1.9281 1.9281 3.2243 3.2243 3.3707 3.3707 4.0594 4.0594 5.2409 5.2409 5.6054 5.6054 5.9482 5.9482 7.5471 7.5471 8.6824 8.6824 8.7480 8.7480 9.4567 9.4567 k = 0.0588 0.0588 0.2964 ( 9186 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9609 -18.9609 -18.7894 -18.7894 -18.7883 -18.7883 -18.7830 -18.7830 -18.7817 -18.7817 -4.6889 -4.6889 -3.6799 -3.6799 -1.8026 -1.8026 -1.7778 -1.7778 -1.7463 -1.7463 -1.6975 -1.6975 -1.4920 -1.4920 -1.3810 -1.3810 -1.3608 -1.3608 -1.2994 -1.2994 -1.2302 -1.2302 -1.1301 -1.1301 1.9341 1.9341 3.2986 3.2986 3.4546 3.4546 4.0201 4.0201 5.2913 5.2913 5.6587 5.6587 5.8209 5.8209 7.4700 7.4700 8.5973 8.5973 8.6823 8.6823 9.5765 9.5765 k = 0.0490 0.0490 0.2964 ( 9186 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7883 -18.7883 -18.7829 -18.7829 -18.7816 -18.7816 -4.7006 -4.7006 -3.6840 -3.6840 -1.8031 -1.8031 -1.7793 -1.7793 -1.7465 -1.7465 -1.6997 -1.6997 -1.4927 -1.4927 -1.3828 -1.3828 -1.3623 -1.3623 -1.2988 -1.2988 -1.2300 -1.2300 -1.1268 -1.1268 1.9392 1.9392 3.3693 3.3693 3.5344 3.5344 3.9804 3.9804 5.3355 5.3355 5.6930 5.6930 5.7183 5.7183 7.4036 7.4036 8.5189 8.5189 8.6252 8.6252 9.6970 9.6970 k = 0.0392 0.0392 0.2964 ( 9188 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7883 -18.7883 -18.7829 -18.7829 -18.7816 -18.7816 -4.7103 -4.7103 -3.6874 -3.6874 -1.8037 -1.8037 -1.7805 -1.7805 -1.7466 -1.7466 -1.7015 -1.7015 -1.4932 -1.4932 -1.3843 -1.3843 -1.3634 -1.3634 -1.2982 -1.2982 -1.2297 -1.2297 -1.1240 -1.1240 1.9432 1.9432 3.4365 3.4365 3.6059 3.6059 3.9413 3.9413 5.3728 5.3728 5.5970 5.5970 5.7531 5.7531 7.3483 7.3483 8.4511 8.4511 8.5767 8.5767 9.8164 9.8164 k = 0.0294 0.0294 0.2964 ( 9196 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7883 -18.7883 -18.7830 -18.7830 -18.7816 -18.7816 -4.7178 -4.7178 -3.6901 -3.6901 -1.8041 -1.8041 -1.7814 -1.7814 -1.7467 -1.7467 -1.7029 -1.7029 -1.4937 -1.4937 -1.3857 -1.3857 -1.3641 -1.3641 -1.2978 -1.2978 -1.2295 -1.2295 -1.1218 -1.1218 1.9464 1.9464 3.5000 3.5000 3.6626 3.6626 3.9056 3.9056 5.4026 5.4026 5.5095 5.5095 5.7885 5.7885 7.3048 7.3048 8.3960 8.3960 8.5376 8.5376 9.9327 9.9327 k = 0.0196 0.0196 0.2964 ( 9188 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9671 -18.9671 -18.9608 -18.9608 -18.7894 -18.7894 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7231 -4.7231 -3.6920 -3.6920 -1.8044 -1.8044 -1.7820 -1.7820 -1.7468 -1.7468 -1.7040 -1.7040 -1.4939 -1.4939 -1.3867 -1.3867 -1.3646 -1.3646 -1.2975 -1.2975 -1.2294 -1.2294 -1.1203 -1.1203 1.9486 1.9486 3.5590 3.5590 3.6951 3.6951 3.8792 3.8792 5.4243 5.4243 5.4424 5.4424 5.8151 5.8151 7.2734 7.2734 8.3553 8.3553 8.5088 8.5088 10.0411 10.0411 k = 0.0098 0.0098 0.2964 ( 9172 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9607 -18.9607 -18.7893 -18.7893 -18.7882 -18.7882 -18.7829 -18.7829 -18.7816 -18.7816 -4.7264 -4.7264 -3.6931 -3.6931 -1.8047 -1.8047 -1.7824 -1.7824 -1.7468 -1.7468 -1.7046 -1.7046 -1.4941 -1.4941 -1.3873 -1.3873 -1.3649 -1.3649 -1.2974 -1.2974 -1.2292 -1.2292 -1.1193 -1.1193 1.9499 1.9499 3.6116 3.6116 3.6952 3.6952 3.8681 3.8681 5.3997 5.3997 5.4377 5.4377 5.8317 5.8317 7.2544 7.2544 8.3304 8.3304 8.4913 8.4913 10.1299 10.1299 k = 0.0000 0.0000 0.2964 ( 9180 PWs) bands (ev): -46.9193 -46.9193 -46.9186 -46.9186 -18.9670 -18.9670 -18.9608 -18.9608 -18.7893 -18.7893 -18.7882 -18.7882 -18.7830 -18.7830 -18.7816 -18.7816 -4.7274 -4.7274 -3.6935 -3.6935 -1.8047 -1.8047 -1.7825 -1.7825 -1.7468 -1.7468 -1.7048 -1.7048 -1.4942 -1.4942 -1.3875 -1.3875 -1.3650 -1.3650 -1.2973 -1.2973 -1.2292 -1.2292 -1.1190 -1.1190 1.9503 1.9503 3.6436 3.6436 3.6789 3.6789 3.8666 3.8666 5.3851 5.3851 5.4421 5.4421 5.8373 5.8373 7.2481 7.2481 8.3220 8.3220 8.4854 8.4854 10.1688 10.1688 k = 0.0000 0.5000-0.0000 ( 9206 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7749 -3.7749 -3.7749 -3.7749 -1.7174 -1.7174 -1.7174 -1.7174 -1.6519 -1.6519 -1.6519 -1.6519 -1.3825 -1.3825 -1.3825 -1.3825 -1.3470 -1.3470 -1.3470 -1.3470 -1.2604 -1.2604 -1.2604 -1.2604 1.0077 1.0077 1.0077 1.0077 3.5440 3.5440 3.5440 3.5440 5.1421 5.1421 5.1421 5.1421 7.4366 7.4366 7.4366 7.4366 9.2985 9.2985 9.2985 9.2985 9.9638 9.9638 k = 0.0000 0.5000 0.0141 ( 9198 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7748 -3.7748 -3.7748 -3.7748 -1.7174 -1.7174 -1.7174 -1.7174 -1.6519 -1.6519 -1.6519 -1.6519 -1.3825 -1.3825 -1.3825 -1.3825 -1.3470 -1.3470 -1.3470 -1.3470 -1.2604 -1.2604 -1.2604 -1.2604 1.0059 1.0059 1.0059 1.0059 3.5483 3.5483 3.5483 3.5483 5.1422 5.1422 5.1422 5.1422 7.4338 7.4338 7.4338 7.4338 9.2774 9.2774 9.2774 9.2774 9.9645 9.9645 k = 0.0000 0.5000 0.0282 ( 9218 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7747 -3.7747 -3.7747 -3.7747 -1.7174 -1.7174 -1.7174 -1.7174 -1.6519 -1.6519 -1.6519 -1.6519 -1.3824 -1.3824 -1.3824 -1.3824 -1.3470 -1.3470 -1.3470 -1.3470 -1.2603 -1.2603 -1.2603 -1.2603 1.0005 1.0005 1.0005 1.0005 3.5612 3.5612 3.5612 3.5612 5.1426 5.1426 5.1426 5.1426 7.4253 7.4253 7.4253 7.4253 9.2211 9.2211 9.2211 9.2211 9.9626 9.9626 k = 0.0000 0.5000 0.0423 ( 9234 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7743 -3.7743 -3.7743 -3.7743 -1.7173 -1.7173 -1.7173 -1.7173 -1.6518 -1.6518 -1.6518 -1.6518 -1.3823 -1.3823 -1.3823 -1.3823 -1.3470 -1.3470 -1.3470 -1.3470 -1.2600 -1.2600 -1.2600 -1.2600 0.9918 0.9918 0.9918 0.9918 3.5825 3.5825 3.5825 3.5825 5.1432 5.1432 5.1432 5.1432 7.4109 7.4109 7.4109 7.4109 9.1434 9.1434 9.1434 9.1434 9.9551 9.9551 k = 0.0000 0.5000 0.0565 ( 9226 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7739 -3.7739 -3.7739 -3.7739 -1.7173 -1.7173 -1.7173 -1.7173 -1.6517 -1.6517 -1.6517 -1.6517 -1.3822 -1.3822 -1.3822 -1.3822 -1.3470 -1.3470 -1.3470 -1.3470 -1.2597 -1.2597 -1.2597 -1.2597 0.9799 0.9799 0.9799 0.9799 3.6118 3.6118 3.6118 3.6118 5.1441 5.1441 5.1441 5.1441 7.3901 7.3901 7.3901 7.3901 9.0559 9.0559 9.0559 9.0559 9.9424 9.9424 k = 0.0000 0.5000 0.0706 ( 9214 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7733 -3.7733 -3.7733 -3.7733 -1.7172 -1.7172 -1.7172 -1.7172 -1.6516 -1.6516 -1.6516 -1.6516 -1.3820 -1.3820 -1.3820 -1.3820 -1.3470 -1.3470 -1.3470 -1.3470 -1.2593 -1.2593 -1.2593 -1.2593 0.9654 0.9654 0.9654 0.9654 3.6485 3.6485 3.6485 3.6485 5.1453 5.1453 5.1453 5.1453 7.3626 7.3626 7.3626 7.3626 8.9662 8.9662 8.9662 8.9662 9.9258 9.9258 k = 0.0000 0.5000 0.0847 ( 9194 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7727 -3.7727 -3.7727 -3.7727 -1.7172 -1.7172 -1.7172 -1.7172 -1.6515 -1.6515 -1.6515 -1.6515 -1.3817 -1.3817 -1.3817 -1.3817 -1.3470 -1.3470 -1.3470 -1.3470 -1.2588 -1.2588 -1.2588 -1.2588 0.9486 0.9486 0.9486 0.9486 3.6921 3.6921 3.6921 3.6921 5.1468 5.1468 5.1468 5.1468 7.3278 7.3278 7.3278 7.3278 8.8791 8.8791 8.8791 8.8791 9.9061 9.9061 k = 0.0000 0.5000 0.0988 ( 9214 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7719 -3.7719 -3.7719 -3.7719 -1.7171 -1.7171 -1.7171 -1.7171 -1.6513 -1.6513 -1.6513 -1.6513 -1.3815 -1.3815 -1.3815 -1.3815 -1.3470 -1.3470 -1.3470 -1.3470 -1.2583 -1.2583 -1.2583 -1.2583 0.9300 0.9300 0.9300 0.9300 3.7418 3.7418 3.7418 3.7418 5.1485 5.1485 5.1485 5.1485 7.2854 7.2854 7.2854 7.2854 8.7974 8.7974 8.7974 8.7974 9.8842 9.8842 k = 0.0000 0.5000 0.1129 ( 9220 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9650 -18.9650 -18.9650 -18.9650 -18.7895 -18.7895 -18.7895 -18.7895 -18.7834 -18.7834 -18.7834 -18.7834 -3.7711 -3.7711 -3.7711 -3.7711 -1.7170 -1.7170 -1.7170 -1.7170 -1.6511 -1.6511 -1.6511 -1.6511 -1.3812 -1.3812 -1.3812 -1.3812 -1.3470 -1.3470 -1.3470 -1.3470 -1.2577 -1.2577 -1.2577 -1.2577 0.9102 0.9102 0.9102 0.9102 3.7967 3.7967 3.7967 3.7967 5.1504 5.1504 5.1504 5.1504 7.2354 7.2354 7.2354 7.2354 8.7232 8.7232 8.7232 8.7232 9.8609 9.8609 k = 0.0000 0.5000 0.1270 ( 9210 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7703 -3.7703 -3.7703 -3.7703 -1.7169 -1.7169 -1.7169 -1.7169 -1.6510 -1.6510 -1.6510 -1.6510 -1.3809 -1.3809 -1.3809 -1.3809 -1.3470 -1.3470 -1.3470 -1.3470 -1.2571 -1.2571 -1.2571 -1.2571 0.8897 0.8897 0.8897 0.8897 3.8561 3.8561 3.8561 3.8561 5.1527 5.1527 5.1527 5.1527 7.1781 7.1781 7.1781 7.1781 8.6574 8.6574 8.6574 8.6574 9.8370 9.8370 k = 0.0000 0.5000 0.1411 ( 9202 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7694 -3.7694 -3.7694 -3.7694 -1.7169 -1.7169 -1.7169 -1.7169 -1.6508 -1.6508 -1.6508 -1.6508 -1.3807 -1.3807 -1.3807 -1.3807 -1.3470 -1.3470 -1.3470 -1.3470 -1.2564 -1.2564 -1.2564 -1.2564 0.8689 0.8689 0.8689 0.8689 3.9190 3.9190 3.9190 3.9190 5.1552 5.1552 5.1552 5.1552 7.1140 7.1140 7.1140 7.1140 8.6006 8.6006 8.6006 8.6006 9.8129 9.8129 k = 0.0000 0.5000 0.1553 ( 9202 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7685 -3.7685 -3.7685 -3.7685 -1.7168 -1.7168 -1.7168 -1.7168 -1.6506 -1.6506 -1.6506 -1.6506 -1.3804 -1.3804 -1.3804 -1.3804 -1.3470 -1.3470 -1.3470 -1.3470 -1.2557 -1.2557 -1.2557 -1.2557 0.8483 0.8483 0.8483 0.8483 3.9842 3.9842 3.9842 3.9842 5.1581 5.1581 5.1581 5.1581 7.0443 7.0443 7.0443 7.0443 8.5525 8.5525 8.5525 8.5525 9.7893 9.7893 k = 0.0000 0.5000 0.1694 ( 9212 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7896 -18.7896 -18.7833 -18.7833 -18.7833 -18.7833 -3.7676 -3.7676 -3.7676 -3.7676 -1.7167 -1.7167 -1.7167 -1.7167 -1.6504 -1.6504 -1.6504 -1.6504 -1.3801 -1.3801 -1.3801 -1.3801 -1.3471 -1.3471 -1.3471 -1.3471 -1.2550 -1.2550 -1.2550 -1.2550 0.8284 0.8284 0.8284 0.8284 4.0507 4.0507 4.0507 4.0507 5.1613 5.1613 5.1613 5.1613 6.9707 6.9707 6.9707 6.9707 8.5126 8.5126 8.5126 8.5126 9.7666 9.7666 k = 0.0000 0.5000 0.1835 ( 9204 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7668 -3.7668 -3.7668 -3.7668 -1.7166 -1.7166 -1.7166 -1.7166 -1.6502 -1.6502 -1.6502 -1.6502 -1.3798 -1.3798 -1.3798 -1.3798 -1.3471 -1.3471 -1.3471 -1.3471 -1.2543 -1.2543 -1.2543 -1.2543 0.8096 0.8096 0.8096 0.8096 4.1171 4.1171 4.1171 4.1171 5.1648 5.1648 5.1648 5.1648 6.8948 6.8948 6.8948 6.8948 8.4801 8.4801 8.4801 8.4801 9.7453 9.7453 k = 0.0000 0.5000 0.1976 ( 9204 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7660 -3.7660 -3.7660 -3.7660 -1.7166 -1.7166 -1.7166 -1.7166 -1.6500 -1.6500 -1.6500 -1.6500 -1.3795 -1.3795 -1.3795 -1.3795 -1.3471 -1.3471 -1.3471 -1.3471 -1.2537 -1.2537 -1.2537 -1.2537 0.7921 0.7921 0.7921 0.7921 4.1820 4.1820 4.1820 4.1820 5.1686 5.1686 5.1686 5.1686 6.8190 6.8190 6.8190 6.8190 8.4542 8.4542 8.4542 8.4542 9.7257 9.7257 k = 0.0000 0.5000 0.2117 ( 9204 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7896 -18.7896 -18.7833 -18.7833 -18.7833 -18.7833 -3.7652 -3.7652 -3.7652 -3.7652 -1.7165 -1.7165 -1.7165 -1.7165 -1.6499 -1.6499 -1.6499 -1.6499 -1.3793 -1.3793 -1.3793 -1.3793 -1.3471 -1.3471 -1.3471 -1.3471 -1.2531 -1.2531 -1.2531 -1.2531 0.7763 0.7763 0.7763 0.7763 4.2438 4.2438 4.2438 4.2438 5.1728 5.1728 5.1728 5.1728 6.7454 6.7454 6.7454 6.7454 8.4337 8.4337 8.4337 8.4337 9.7082 9.7082 k = 0.0000 0.5000 0.2258 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7896 -18.7896 -18.7833 -18.7833 -18.7833 -18.7833 -3.7646 -3.7646 -3.7646 -3.7646 -1.7164 -1.7164 -1.7164 -1.7164 -1.6497 -1.6497 -1.6497 -1.6497 -1.3791 -1.3791 -1.3791 -1.3791 -1.3471 -1.3471 -1.3471 -1.3471 -1.2525 -1.2525 -1.2525 -1.2525 0.7626 0.7626 0.7626 0.7626 4.3008 4.3008 4.3008 4.3008 5.1771 5.1771 5.1771 5.1771 6.6766 6.6766 6.6766 6.6766 8.4180 8.4180 8.4180 8.4180 9.6929 9.6929 k = 0.0000 0.5000 0.2399 ( 9192 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7833 -18.7833 -18.7833 -18.7833 -3.7640 -3.7640 -3.7640 -3.7640 -1.7164 -1.7164 -1.7164 -1.7164 -1.6496 -1.6496 -1.6496 -1.6496 -1.3789 -1.3789 -1.3789 -1.3789 -1.3471 -1.3471 -1.3471 -1.3471 -1.2521 -1.2521 -1.2521 -1.2521 0.7510 0.7510 0.7510 0.7510 4.3510 4.3510 4.3510 4.3510 5.1815 5.1815 5.1815 5.1815 6.6151 6.6151 6.6151 6.6151 8.4062 8.4062 8.4062 8.4062 9.6801 9.6801 k = 0.0000 0.5000 0.2541 ( 9194 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7896 -18.7896 -18.7896 -18.7896 -18.7833 -18.7833 -18.7833 -18.7833 -3.7635 -3.7635 -3.7635 -3.7635 -1.7163 -1.7163 -1.7163 -1.7163 -1.6495 -1.6495 -1.6495 -1.6495 -1.3787 -1.3787 -1.3787 -1.3787 -1.3471 -1.3471 -1.3471 -1.3471 -1.2517 -1.2517 -1.2517 -1.2517 0.7418 0.7418 0.7418 0.7418 4.3926 4.3926 4.3926 4.3926 5.1857 5.1857 5.1857 5.1857 6.5636 6.5636 6.5636 6.5636 8.3976 8.3976 8.3976 8.3976 9.6700 9.6700 k = 0.0000 0.5000 0.2682 ( 9178 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7832 -18.7832 -18.7832 -18.7832 -3.7632 -3.7632 -3.7632 -3.7632 -1.7163 -1.7163 -1.7163 -1.7163 -1.6495 -1.6495 -1.6495 -1.6495 -1.3786 -1.3786 -1.3786 -1.3786 -1.3471 -1.3471 -1.3471 -1.3471 -1.2514 -1.2514 -1.2514 -1.2514 0.7351 0.7351 0.7351 0.7351 4.4239 4.4239 4.4239 4.4239 5.1891 5.1891 5.1891 5.1891 6.5246 6.5246 6.5246 6.5246 8.3919 8.3919 8.3919 8.3919 9.6627 9.6627 k = 0.0000 0.5000 0.2823 ( 9168 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7832 -18.7832 -18.7832 -18.7832 -3.7630 -3.7630 -3.7630 -3.7630 -1.7163 -1.7163 -1.7163 -1.7163 -1.6494 -1.6494 -1.6494 -1.6494 -1.3785 -1.3785 -1.3785 -1.3785 -1.3471 -1.3471 -1.3471 -1.3471 -1.2512 -1.2512 -1.2512 -1.2512 0.7311 0.7311 0.7311 0.7311 4.4433 4.4433 4.4433 4.4433 5.1914 5.1914 5.1914 5.1914 6.5002 6.5002 6.5002 6.5002 8.3886 8.3886 8.3886 8.3886 9.6583 9.6583 k = 0.0000 0.5000 0.2964 ( 9176 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9649 -18.9649 -18.9649 -18.9649 -18.7895 -18.7895 -18.7895 -18.7895 -18.7832 -18.7832 -18.7832 -18.7832 -3.7629 -3.7629 -3.7629 -3.7629 -1.7163 -1.7163 -1.7163 -1.7163 -1.6494 -1.6494 -1.6494 -1.6494 -1.3785 -1.3785 -1.3785 -1.3785 -1.3471 -1.3471 -1.3471 -1.3471 -1.2512 -1.2512 -1.2512 -1.2512 0.7297 0.7297 0.7297 0.7297 4.4498 4.4498 4.4498 4.4498 5.1922 5.1922 5.1922 5.1922 6.4919 6.4919 6.4919 6.4919 8.3875 8.3875 8.3875 8.3875 9.6568 9.6568 k = 0.5000 0.5000-0.0000 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3421 -3.3421 -3.3421 -3.3421 -1.7906 -1.7906 -1.7906 -1.7906 -1.5586 -1.5586 -1.5586 -1.5586 -1.4291 -1.4291 -1.4291 -1.4291 -1.2729 -1.2729 -1.2729 -1.2729 -1.1306 -1.1306 -1.1306 -1.1306 0.8660 0.8660 0.8660 0.8660 3.1665 3.1665 3.1665 3.1665 3.4378 3.4378 3.4378 3.4378 6.6708 6.6708 6.6708 6.6708 7.0803 7.0803 7.0803 7.0803 12.5399 12.5399 k = 0.5000 0.5000 0.0141 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7900 -18.7900 -18.7900 -18.7900 -18.7846 -18.7846 -18.7846 -18.7846 -3.3421 -3.3421 -3.3421 -3.3421 -1.7906 -1.7906 -1.7906 -1.7906 -1.5585 -1.5585 -1.5585 -1.5585 -1.4291 -1.4291 -1.4291 -1.4291 -1.2729 -1.2729 -1.2729 -1.2729 -1.1306 -1.1306 -1.1306 -1.1306 0.8663 0.8663 0.8663 0.8663 3.1649 3.1649 3.1649 3.1649 3.4363 3.4363 3.4363 3.4363 6.6763 6.6763 6.6763 6.6763 7.0849 7.0849 7.0849 7.0849 12.4691 12.4691 k = 0.5000 0.5000 0.0282 ( 9212 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7900 -18.7900 -18.7900 -18.7900 -18.7846 -18.7846 -18.7846 -18.7846 -3.3421 -3.3421 -3.3421 -3.3421 -1.7906 -1.7906 -1.7906 -1.7906 -1.5585 -1.5585 -1.5585 -1.5585 -1.4291 -1.4291 -1.4291 -1.4291 -1.2729 -1.2729 -1.2729 -1.2729 -1.1304 -1.1304 -1.1304 -1.1304 0.8672 0.8672 0.8672 0.8672 3.1600 3.1600 3.1600 3.1600 3.4321 3.4321 3.4321 3.4321 6.6928 6.6928 6.6928 6.6928 7.0987 7.0987 7.0987 7.0987 12.3117 12.3117 k = 0.5000 0.5000 0.0423 ( 9220 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3420 -3.3420 -3.3420 -3.3420 -1.7906 -1.7906 -1.7906 -1.7906 -1.5584 -1.5584 -1.5584 -1.5584 -1.4291 -1.4291 -1.4291 -1.4291 -1.2728 -1.2728 -1.2728 -1.2728 -1.1301 -1.1301 -1.1301 -1.1301 0.8686 0.8686 0.8686 0.8686 3.1521 3.1521 3.1521 3.1521 3.4253 3.4253 3.4253 3.4253 6.7199 6.7199 6.7199 6.7199 7.1216 7.1216 7.1216 7.1216 12.1240 12.1240 k = 0.5000 0.5000 0.0565 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3420 -3.3420 -3.3420 -3.3420 -1.7906 -1.7906 -1.7906 -1.7906 -1.5583 -1.5583 -1.5583 -1.5583 -1.4290 -1.4290 -1.4290 -1.4290 -1.2728 -1.2728 -1.2728 -1.2728 -1.1296 -1.1296 -1.1296 -1.1296 0.8706 0.8706 0.8706 0.8706 3.1412 3.1412 3.1412 3.1412 3.4160 3.4160 3.4160 3.4160 6.7576 6.7576 6.7576 6.7576 7.1533 7.1533 7.1533 7.1533 11.9256 11.9256 k = 0.5000 0.5000 0.0706 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3419 -3.3419 -3.3419 -3.3419 -1.7905 -1.7905 -1.7905 -1.7905 -1.5581 -1.5581 -1.5581 -1.5581 -1.4290 -1.4290 -1.4290 -1.4290 -1.2728 -1.2728 -1.2728 -1.2728 -1.1291 -1.1291 -1.1291 -1.1291 0.8731 0.8731 0.8731 0.8731 3.1278 3.1278 3.1278 3.1278 3.4045 3.4045 3.4045 3.4045 6.8054 6.8054 6.8054 6.8054 7.1935 7.1935 7.1935 7.1935 11.7233 11.7233 k = 0.5000 0.5000 0.0847 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3418 -3.3418 -3.3418 -3.3418 -1.7905 -1.7905 -1.7905 -1.7905 -1.5580 -1.5580 -1.5580 -1.5580 -1.4290 -1.4290 -1.4290 -1.4290 -1.2727 -1.2727 -1.2727 -1.2727 -1.1284 -1.1284 -1.1284 -1.1284 0.8761 0.8761 0.8761 0.8761 3.1122 3.1122 3.1122 3.1122 3.3913 3.3913 3.3913 3.3913 6.8629 6.8629 6.8629 6.8629 7.2419 7.2419 7.2419 7.2419 11.5201 11.5201 k = 0.5000 0.5000 0.0988 ( 9216 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3417 -3.3417 -3.3417 -3.3417 -1.7905 -1.7905 -1.7905 -1.7905 -1.5578 -1.5578 -1.5578 -1.5578 -1.4290 -1.4290 -1.4290 -1.4290 -1.2727 -1.2727 -1.2727 -1.2727 -1.1277 -1.1277 -1.1277 -1.1277 0.8795 0.8795 0.8795 0.8795 3.0947 3.0947 3.0947 3.0947 3.3767 3.3767 3.3767 3.3767 6.9296 6.9296 6.9296 6.9296 7.2980 7.2980 7.2980 7.2980 11.3173 11.3173 k = 0.5000 0.5000 0.1129 ( 9208 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3417 -3.3417 -3.3417 -3.3417 -1.7905 -1.7905 -1.7905 -1.7905 -1.5575 -1.5575 -1.5575 -1.5575 -1.4289 -1.4289 -1.4289 -1.4289 -1.2726 -1.2726 -1.2726 -1.2726 -1.1269 -1.1269 -1.1269 -1.1269 0.8832 0.8832 0.8832 0.8832 3.0758 3.0758 3.0758 3.0758 3.3610 3.3610 3.3610 3.3610 7.0050 7.0050 7.0050 7.0050 7.3613 7.3613 7.3613 7.3613 11.1159 11.1159 k = 0.5000 0.5000 0.1270 ( 9224 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7899 -18.7899 -18.7899 -18.7899 -18.7846 -18.7846 -18.7846 -18.7846 -3.3415 -3.3415 -3.3415 -3.3415 -1.7904 -1.7904 -1.7904 -1.7904 -1.5573 -1.5573 -1.5573 -1.5573 -1.4289 -1.4289 -1.4289 -1.4289 -1.2726 -1.2726 -1.2726 -1.2726 -1.1261 -1.1261 -1.1261 -1.1261 0.8871 0.8871 0.8871 0.8871 3.0559 3.0559 3.0559 3.0559 3.3448 3.3448 3.3448 3.3448 7.0885 7.0885 7.0885 7.0885 7.4312 7.4312 7.4312 7.4312 10.9166 10.9166 k = 0.5000 0.5000 0.1411 ( 9248 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9657 -18.9657 -18.9657 -18.9657 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3414 -3.3414 -3.3414 -3.3414 -1.7904 -1.7904 -1.7904 -1.7904 -1.5571 -1.5571 -1.5571 -1.5571 -1.4289 -1.4289 -1.4289 -1.4289 -1.2725 -1.2725 -1.2725 -1.2725 -1.1252 -1.1252 -1.1252 -1.1252 0.8913 0.8913 0.8913 0.8913 3.0356 3.0356 3.0356 3.0356 3.3283 3.3283 3.3283 3.3283 7.1796 7.1796 7.1796 7.1796 7.5070 7.5070 7.5070 7.5070 10.7197 10.7197 k = 0.5000 0.5000 0.1553 ( 9256 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3413 -3.3413 -3.3413 -3.3413 -1.7904 -1.7904 -1.7904 -1.7904 -1.5568 -1.5568 -1.5568 -1.5568 -1.4288 -1.4288 -1.4288 -1.4288 -1.2725 -1.2725 -1.2725 -1.2725 -1.1244 -1.1244 -1.1244 -1.1244 0.8955 0.8955 0.8955 0.8955 3.0152 3.0152 3.0152 3.0152 3.3120 3.3120 3.3120 3.3120 7.2775 7.2775 7.2775 7.2775 7.5879 7.5879 7.5879 7.5879 10.5257 10.5257 k = 0.5000 0.5000 0.1694 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3412 -3.3412 -3.3412 -3.3412 -1.7903 -1.7903 -1.7903 -1.7903 -1.5566 -1.5566 -1.5566 -1.5566 -1.4288 -1.4288 -1.4288 -1.4288 -1.2724 -1.2724 -1.2724 -1.2724 -1.1235 -1.1235 -1.1235 -1.1235 0.8998 0.8998 0.8998 0.8998 2.9953 2.9953 2.9953 2.9953 3.2961 3.2961 3.2961 3.2961 7.3817 7.3817 7.3817 7.3817 7.6732 7.6732 7.6732 7.6732 10.3350 10.3350 k = 0.5000 0.5000 0.1835 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3411 -3.3411 -3.3411 -3.3411 -1.7903 -1.7903 -1.7903 -1.7903 -1.5564 -1.5564 -1.5564 -1.5564 -1.4288 -1.4288 -1.4288 -1.4288 -1.2724 -1.2724 -1.2724 -1.2724 -1.1227 -1.1227 -1.1227 -1.1227 0.9039 0.9039 0.9039 0.9039 2.9762 2.9762 2.9762 2.9762 3.2811 3.2811 3.2811 3.2811 7.4913 7.4913 7.4913 7.4913 7.7618 7.7618 7.7618 7.7618 10.1482 10.1482 k = 0.5000 0.5000 0.1976 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3410 -3.3410 -3.3410 -3.3410 -1.7903 -1.7903 -1.7903 -1.7903 -1.5562 -1.5562 -1.5562 -1.5562 -1.4287 -1.4287 -1.4287 -1.4287 -1.2723 -1.2723 -1.2723 -1.2723 -1.1219 -1.1219 -1.1219 -1.1219 0.9078 0.9078 0.9078 0.9078 2.9583 2.9583 2.9583 2.9583 3.2671 3.2671 3.2671 3.2671 7.6052 7.6052 7.6052 7.6052 7.8524 7.8524 7.8524 7.8524 9.9656 9.9656 k = 0.5000 0.5000 0.2117 ( 9280 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3409 -3.3409 -3.3409 -3.3409 -1.7903 -1.7903 -1.7903 -1.7903 -1.5560 -1.5560 -1.5560 -1.5560 -1.4287 -1.4287 -1.4287 -1.4287 -1.2723 -1.2723 -1.2723 -1.2723 -1.1211 -1.1211 -1.1211 -1.1211 0.9115 0.9115 0.9115 0.9115 2.9421 2.9421 2.9421 2.9421 3.2545 3.2545 3.2545 3.2545 7.7222 7.7222 7.7222 7.7222 7.9438 7.9438 7.9438 7.9438 9.7882 9.7882 k = 0.5000 0.5000 0.2258 ( 9272 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3408 -3.3408 -3.3408 -3.3408 -1.7902 -1.7902 -1.7902 -1.7902 -1.5558 -1.5558 -1.5558 -1.5558 -1.4287 -1.4287 -1.4287 -1.4287 -1.2722 -1.2722 -1.2722 -1.2722 -1.1205 -1.1205 -1.1205 -1.1205 0.9147 0.9147 0.9147 0.9147 2.9278 2.9278 2.9278 2.9278 3.2435 3.2435 3.2435 3.2435 7.8398 7.8398 7.8398 7.8398 8.0346 8.0346 8.0346 8.0346 9.6170 9.6170 k = 0.5000 0.5000 0.2399 ( 9284 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7848 -18.7848 -18.7848 -18.7848 -3.3408 -3.3408 -3.3408 -3.3408 -1.7902 -1.7902 -1.7902 -1.7902 -1.5557 -1.5557 -1.5557 -1.5557 -1.4287 -1.4287 -1.4287 -1.4287 -1.2722 -1.2722 -1.2722 -1.2722 -1.1199 -1.1199 -1.1199 -1.1199 0.9175 0.9175 0.9175 0.9175 2.9157 2.9157 2.9157 2.9157 3.2342 3.2342 3.2342 3.2342 7.9541 7.9541 7.9541 7.9541 8.1235 8.1235 8.1235 8.1235 9.4541 9.4541 k = 0.5000 0.5000 0.2541 ( 9284 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7848 -18.7848 -18.7848 -18.7848 -3.3407 -3.3407 -3.3407 -3.3407 -1.7902 -1.7902 -1.7902 -1.7902 -1.5555 -1.5555 -1.5555 -1.5555 -1.4286 -1.4286 -1.4286 -1.4286 -1.2722 -1.2722 -1.2722 -1.2722 -1.1195 -1.1195 -1.1195 -1.1195 0.9198 0.9198 0.9198 0.9198 2.9060 2.9060 2.9060 2.9060 3.2268 3.2268 3.2268 3.2268 8.0578 8.0578 8.0578 8.0578 8.2103 8.2103 8.2103 8.2103 9.3029 9.3029 k = 0.5000 0.5000 0.2682 ( 9284 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3407 -3.3407 -3.3407 -3.3407 -1.7902 -1.7902 -1.7902 -1.7902 -1.5555 -1.5555 -1.5555 -1.5555 -1.4286 -1.4286 -1.4286 -1.4286 -1.2721 -1.2721 -1.2721 -1.2721 -1.1192 -1.1192 -1.1192 -1.1192 0.9215 0.9215 0.9215 0.9215 2.8990 2.8990 2.8990 2.8990 3.2215 3.2215 3.2215 3.2215 8.1398 8.1398 8.1398 8.1398 8.2940 8.2940 8.2940 8.2940 9.1708 9.1708 k = 0.5000 0.5000 0.2823 ( 9272 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3407 -3.3407 -3.3407 -3.3407 -1.7902 -1.7902 -1.7902 -1.7902 -1.5554 -1.5554 -1.5554 -1.5554 -1.4286 -1.4286 -1.4286 -1.4286 -1.2721 -1.2721 -1.2721 -1.2721 -1.1190 -1.1190 -1.1190 -1.1190 0.9225 0.9225 0.9225 0.9225 2.8947 2.8947 2.8947 2.8947 3.2182 3.2182 3.2182 3.2182 8.1910 8.1910 8.1910 8.1910 8.3636 8.3636 8.3636 8.3636 9.0729 9.0729 k = 0.5000 0.5000 0.2964 ( 9272 PWs) bands (ev): -46.9189 -46.9189 -46.9189 -46.9189 -18.9658 -18.9658 -18.9658 -18.9658 -18.7900 -18.7900 -18.7900 -18.7900 -18.7847 -18.7847 -18.7847 -18.7847 -3.3406 -3.3406 -3.3406 -3.3406 -1.7902 -1.7902 -1.7902 -1.7902 -1.5554 -1.5554 -1.5554 -1.5554 -1.4286 -1.4286 -1.4286 -1.4286 -1.2721 -1.2721 -1.2721 -1.2721 -1.1189 -1.1189 -1.1189 -1.1189 0.9228 0.9228 0.9228 0.9228 2.8932 2.8932 2.8932 2.8932 3.2172 3.2172 3.2172 3.2172 8.2082 8.2082 8.2082 8.2082 8.3927 8.3927 8.3927 8.3927 9.0347 9.0347 Writing output data file NaZnSb.save init_run : 0.35s CPU 0.49s WALL ( 1 calls) electrons : 282.22s CPU 285.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 282.21s CPU 285.28s 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 : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.14s WALL ( 318 calls) cegterg : 256.73s CPU 258.81s WALL ( 433 calls) Called by sum_band: Called by *egterg: h_psi : 161.48s CPU 163.27s WALL ( 7467 calls) s_psi : 9.17s CPU 9.12s WALL ( 7467 calls) g_psi : 0.52s CPU 0.54s WALL ( 6716 calls) cdiaghg : 64.96s CPU 65.72s WALL ( 7034 calls) cegterg:over : 14.22s CPU 14.33s WALL ( 6716 calls) cegterg:upda : 14.41s CPU 14.11s WALL ( 6716 calls) cegterg:last : 6.33s CPU 6.31s WALL ( 1069 calls) cdiaghg:chol : 3.76s CPU 3.79s WALL ( 7034 calls) cdiaghg:inve : 2.73s CPU 2.67s WALL ( 7034 calls) cdiaghg:para : 4.40s CPU 4.27s WALL ( 14068 calls) Called by h_psi: h_psi:vloc : 140.90s CPU 142.47s WALL ( 7467 calls) h_psi:vnl : 20.00s CPU 20.19s WALL ( 7467 calls) add_vuspsi : 9.80s CPU 10.09s WALL ( 7467 calls) General routines calbec : 10.17s CPU 10.08s WALL ( 7467 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 133.48s CPU 134.91s WALL ( 858760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.48s WALL ( 636 calls) Parallel routines fft_scatter : 44.01s CPU 44.41s WALL ( 858783 calls) PWSCF : 5m11.87s CPU 5m37.03s WALL This run was terminated on: 21: 0:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=