Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:56:21 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: ./MgH2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 70 43 12 2650 1261 196 Max 71 44 13 2653 1281 201 Sum 2537 1549 437 95433 45769 7123 bravais-lattice index = 14 lattice parameter (alat) = 9.0631 a.u. unit-cell volume = 744.4474 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.063126 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Mg 10.00 24.30500 Mg( 1.00) 24 Sym. Ops., with inversion, found (18 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 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) 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 ) ( 0.5000000 ) 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 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 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 = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(16) = ( -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 = 17 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(17) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 1 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s(18) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) isym = 19 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(19) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 20 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(20) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 21 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(21) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(22) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 23 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(23) = ( 0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 24 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) cart. s(24) = ( -0.0000000 0.0000000 1.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) double point group T_h (m-3) there are 14 classes and 6 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 2.00 -2.00 0.00 1.00 -1.00 G_6+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_7+ 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 2.00 -2.00 0.00 -0.50 0.50 G_5- 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 -2.00 2.00 0.00 -1.00 1.00 G_6- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 G_7- 2.00 -2.00 0.00 -0.50 0.50 -0.50 0.50 -2.00 2.00 0.00 0.50 -0.50 4S6 -4S6 G_5+ 1.00 -1.00 G_6+ -0.50 0.50 G_7+ -0.50 0.50 G_5- -1.00 1.00 G_6- 0.50 -0.50 G_7- 0.50 -0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' i -i 3s_h 4S6' -4S6' -3C2 -3s_h G_5+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6+ 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 0.87 -0.87 G_7+ 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 -0.87 0.87 G_5- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6- 0.00 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.00 -0.87 0.87 G_7- 0.00 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.00 0.87 -0.87 4S6 -4S6 G_5+ 0.00 0.00 G_6+ -0.87 0.87 G_7+ 0.87 -0.87 G_5- 0.00 0.00 G_6- 0.87 -0.87 G_7- -0.87 0.87 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 4C3 9 12 10 11 120 deg rotation - cart. axis [1,1,1] -4C3 -9 -12 -10 -11 120 deg rotation - cart. axis [1,1,1] E 4C3' 5 7 8 6 120 deg rotation - cart. axis [-1,-1,-1] -4C3' -5 -7 -8 -6 120 deg rotation - cart. axis [-1,-1,-1] E i 13 inversion -i -13 inversion E 3s_h-3s_h 14 -14 15 -15 16 -16 inv. 180 deg rotation - cart. axis [0,0,1] 4S6' 21 24 22 23 inv. 120 deg rotation - cart. axis [1,1,1] -4S6' -21 -24 -22 -23 inv. 120 deg rotation - cart. axis [1,1,1] E 4S6 17 19 20 18 inv. 120 deg rotation - cart. axis [-1,-1,-1] -4S6 -17 -19 -20 -18 inv. 120 deg rotation - cart. axis [-1,-1,-1] E Cartesian axes number of k points= 256 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438596 0.0438596), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192982 0.2192982), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807017 0.2807017), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561403 0.4561403), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446808), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484848), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0039062 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0039062 k( 4) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0039062 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0039062 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0039062 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0039062 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0039062 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0039062 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0039062 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0039062 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0039062 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0039062 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0039062 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0039062 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0039062 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0039062 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0039062 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0039062 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0039062 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0039062 k( 22) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0039062 k( 23) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0039062 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0039062 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0039062 k( 26) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0039062 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0039062 k( 28) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0039062 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0039062 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0039062 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0039062 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0039062 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0039062 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0039062 k( 37) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0039062 k( 38) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0039062 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0039062 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0039062 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0039062 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0039062 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0039062 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0039062 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0039062 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039062 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0039062 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0039062 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0039062 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0039062 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0039062 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0039062 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0039062 k( 54) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0039062 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0039062 k( 56) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0039062 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039062 k( 58) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0039062 k( 59) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0039062 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0039062 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0039062 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0039062 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0039062 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0039062 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0039062 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0039062 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0039062 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0039062 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0039062 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0039062 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0039062 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0039062 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0039062 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0039062 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0039062 k( 78) = ( 0.4042553 0.4042553 0.0000000), wk = 0.0039062 k( 79) = ( 0.3936170 0.3936170 0.0000000), wk = 0.0039062 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0039062 k( 81) = ( 0.3723404 0.3723404 0.0000000), wk = 0.0039062 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0039062 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0039062 k( 84) = ( 0.3404255 0.3404255 0.0000000), wk = 0.0039062 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0039062 k( 86) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0039062 k( 87) = ( 0.3085106 0.3085106 0.0000000), wk = 0.0039062 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0039062 k( 89) = ( 0.2872340 0.2872340 0.0000000), wk = 0.0039062 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0039062 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0039062 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0039062 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0039062 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0039062 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0039062 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0039062 k( 97) = ( 0.2021277 0.2021277 0.0000000), wk = 0.0039062 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0039062 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0039062 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0039062 k( 101) = ( 0.1595745 0.1595745 0.0000000), wk = 0.0039062 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0039062 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0039062 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0039062 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0039062 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0039062 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0039062 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0039062 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0039062 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0039062 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0039062 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0039062 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0039062 k( 114) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0039062 k( 115) = ( 0.0106383 0.0106383 0.0000000), wk = 0.0039062 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039062 k( 118) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0039062 k( 119) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0039062 k( 120) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0039062 k( 121) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0039062 k( 122) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0039062 k( 123) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0039062 k( 124) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0039062 k( 125) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0039062 k( 126) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0039062 k( 127) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0039062 k( 128) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0039062 k( 129) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0039062 k( 130) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0039062 k( 131) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0039062 k( 132) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0039062 k( 133) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0039062 k( 134) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0039062 k( 135) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0039062 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0039062 k( 137) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0039062 k( 138) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0039062 k( 139) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0039062 k( 140) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0039062 k( 141) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0039062 k( 142) = ( 0.2192983 0.2192983 0.2192983), wk = 0.0039062 k( 143) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0039062 k( 144) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0039062 k( 145) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0039062 k( 146) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0039062 k( 147) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0039062 k( 148) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0039062 k( 149) = ( 0.2807018 0.2807018 0.2807018), wk = 0.0039062 k( 150) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0039062 k( 151) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0039062 k( 152) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0039062 k( 153) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0039062 k( 154) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0039062 k( 155) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0039062 k( 156) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0039062 k( 157) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0039062 k( 158) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0039062 k( 159) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0039062 k( 160) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0039062 k( 161) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0039062 k( 162) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0039062 k( 163) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0039062 k( 164) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0039062 k( 165) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0039062 k( 166) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0039062 k( 167) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0039062 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0039062 k( 169) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0039062 k( 170) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0039062 k( 171) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0039062 k( 172) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0039062 k( 173) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0039062 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 175) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 k( 176) = ( 0.4893617 0.5000000 0.4893617), wk = 0.0039062 k( 177) = ( 0.4787234 0.5000000 0.4787234), wk = 0.0039062 k( 178) = ( 0.4680851 0.5000000 0.4680851), wk = 0.0039062 k( 179) = ( 0.4574468 0.5000000 0.4574468), wk = 0.0039062 k( 180) = ( 0.4468085 0.5000000 0.4468085), wk = 0.0039062 k( 181) = ( 0.4361702 0.5000000 0.4361702), wk = 0.0039062 k( 182) = ( 0.4255319 0.5000000 0.4255319), wk = 0.0039062 k( 183) = ( 0.4148936 0.5000000 0.4148936), wk = 0.0039062 k( 184) = ( 0.4042553 0.5000000 0.4042553), wk = 0.0039062 k( 185) = ( 0.3936170 0.5000000 0.3936170), wk = 0.0039062 k( 186) = ( 0.3829787 0.5000000 0.3829787), wk = 0.0039062 k( 187) = ( 0.3723404 0.5000000 0.3723404), wk = 0.0039062 k( 188) = ( 0.3617021 0.5000000 0.3617021), wk = 0.0039062 k( 189) = ( 0.3510638 0.5000000 0.3510638), wk = 0.0039062 k( 190) = ( 0.3404255 0.5000000 0.3404255), wk = 0.0039062 k( 191) = ( 0.3297872 0.5000000 0.3297872), wk = 0.0039062 k( 192) = ( 0.3191489 0.5000000 0.3191489), wk = 0.0039062 k( 193) = ( 0.3085106 0.5000000 0.3085106), wk = 0.0039062 k( 194) = ( 0.2978723 0.5000000 0.2978723), wk = 0.0039062 k( 195) = ( 0.2872340 0.5000000 0.2872340), wk = 0.0039062 k( 196) = ( 0.2765957 0.5000000 0.2765957), wk = 0.0039062 k( 197) = ( 0.2659574 0.5000000 0.2659574), wk = 0.0039062 k( 198) = ( 0.2553191 0.5000000 0.2553191), wk = 0.0039062 k( 199) = ( 0.2446809 0.5000000 0.2446809), wk = 0.0039062 k( 200) = ( 0.2340425 0.5000000 0.2340425), wk = 0.0039062 k( 201) = ( 0.2234043 0.5000000 0.2234043), wk = 0.0039062 k( 202) = ( 0.2127660 0.5000000 0.2127660), wk = 0.0039062 k( 203) = ( 0.2021277 0.5000000 0.2021277), wk = 0.0039062 k( 204) = ( 0.1914894 0.5000000 0.1914894), wk = 0.0039062 k( 205) = ( 0.1808511 0.5000000 0.1808511), wk = 0.0039062 k( 206) = ( 0.1702128 0.5000000 0.1702128), wk = 0.0039062 k( 207) = ( 0.1595745 0.5000000 0.1595745), wk = 0.0039062 k( 208) = ( 0.1489362 0.5000000 0.1489362), wk = 0.0039062 k( 209) = ( 0.1382979 0.5000000 0.1382979), wk = 0.0039062 k( 210) = ( 0.1276596 0.5000000 0.1276596), wk = 0.0039062 k( 211) = ( 0.1170213 0.5000000 0.1170213), wk = 0.0039062 k( 212) = ( 0.1063830 0.5000000 0.1063830), wk = 0.0039062 k( 213) = ( 0.0957447 0.5000000 0.0957447), wk = 0.0039062 k( 214) = ( 0.0851064 0.5000000 0.0851064), wk = 0.0039062 k( 215) = ( 0.0744681 0.5000000 0.0744681), wk = 0.0039062 k( 216) = ( 0.0638298 0.5000000 0.0638298), wk = 0.0039062 k( 217) = ( 0.0531915 0.5000000 0.0531915), wk = 0.0039062 k( 218) = ( 0.0425532 0.5000000 0.0425532), wk = 0.0039062 k( 219) = ( 0.0319149 0.5000000 0.0319149), wk = 0.0039062 k( 220) = ( 0.0212766 0.5000000 0.0212766), wk = 0.0039062 k( 221) = ( 0.0106383 0.5000000 0.0106383), wk = 0.0039062 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039062 k( 223) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039062 k( 224) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0039062 k( 225) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0039062 k( 226) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0039062 k( 227) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0039062 k( 228) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0039062 k( 229) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0039062 k( 230) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0039062 k( 231) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0039062 k( 232) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0039062 k( 233) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0039062 k( 234) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039062 k( 235) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0039062 k( 236) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0039062 k( 237) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0039062 k( 238) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0039062 k( 239) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0039062 k( 240) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0039062 k( 241) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0039062 k( 242) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0039062 k( 243) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0039062 k( 244) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0039062 k( 245) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039062 k( 246) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0039062 k( 247) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0039062 k( 248) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0039062 k( 249) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0039062 k( 250) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0039062 k( 251) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0039062 k( 252) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0039062 k( 253) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0039062 k( 254) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0039062 k( 255) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0039062 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039062 Dense grid: 95433 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 45769 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 332, 58) NL pseudopotentials 0.18 Mb ( 166, 72) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2652) G-vector shells 0.00 Mb ( 542) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 332, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.13 Mb ( 72, 2, 58) Check: negative/imaginary core charge= -0.000020 0.000000 The potential is recalculated from file : ./MgH2.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.3 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.8 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.0 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.7 secs Computing kpt #: 30 total cpu time spent up to now is 16.1 secs Computing kpt #: 31 total cpu time spent up to now is 16.5 secs Computing kpt #: 32 total cpu time spent up to now is 17.0 secs Computing kpt #: 33 total cpu time spent up to now is 17.4 secs Computing kpt #: 34 total cpu time spent up to now is 17.9 secs Computing kpt #: 35 total cpu time spent up to now is 18.3 secs Computing kpt #: 36 total cpu time spent up to now is 18.7 secs Computing kpt #: 37 total cpu time spent up to now is 19.1 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 19.9 secs Computing kpt #: 40 total cpu time spent up to now is 20.3 secs Computing kpt #: 41 total cpu time spent up to now is 20.8 secs Computing kpt #: 42 total cpu time spent up to now is 21.2 secs Computing kpt #: 43 total cpu time spent up to now is 21.6 secs Computing kpt #: 44 total cpu time spent up to now is 22.0 secs Computing kpt #: 45 total cpu time spent up to now is 22.5 secs Computing kpt #: 46 total cpu time spent up to now is 22.9 secs Computing kpt #: 47 total cpu time spent up to now is 23.4 secs Computing kpt #: 48 total cpu time spent up to now is 23.8 secs Computing kpt #: 49 total cpu time spent up to now is 24.2 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.4 secs Computing kpt #: 55 total cpu time spent up to now is 26.9 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 secs Computing kpt #: 57 total cpu time spent up to now is 27.7 secs Computing kpt #: 58 total cpu time spent up to now is 28.2 secs Computing kpt #: 59 total cpu time spent up to now is 28.6 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.4 secs Computing kpt #: 62 total cpu time spent up to now is 29.9 secs Computing kpt #: 63 total cpu time spent up to now is 30.3 secs Computing kpt #: 64 total cpu time spent up to now is 30.7 secs Computing kpt #: 65 total cpu time spent up to now is 31.2 secs Computing kpt #: 66 total cpu time spent up to now is 31.6 secs Computing kpt #: 67 total cpu time spent up to now is 32.1 secs Computing kpt #: 68 total cpu time spent up to now is 32.6 secs Computing kpt #: 69 total cpu time spent up to now is 33.1 secs Computing kpt #: 70 total cpu time spent up to now is 33.6 secs Computing kpt #: 71 total cpu time spent up to now is 34.1 secs Computing kpt #: 72 total cpu time spent up to now is 34.6 secs Computing kpt #: 73 total cpu time spent up to now is 35.0 secs Computing kpt #: 74 total cpu time spent up to now is 35.5 secs Computing kpt #: 75 total cpu time spent up to now is 35.9 secs Computing kpt #: 76 total cpu time spent up to now is 36.3 secs Computing kpt #: 77 total cpu time spent up to now is 36.8 secs Computing kpt #: 78 total cpu time spent up to now is 37.2 secs Computing kpt #: 79 total cpu time spent up to now is 37.7 secs Computing kpt #: 80 total cpu time spent up to now is 38.1 secs Computing kpt #: 81 total cpu time spent up to now is 38.5 secs Computing kpt #: 82 total cpu time spent up to now is 39.0 secs Computing kpt #: 83 total cpu time spent up to now is 39.4 secs Computing kpt #: 84 total cpu time spent up to now is 39.9 secs Computing kpt #: 85 total cpu time spent up to now is 40.3 secs Computing kpt #: 86 total cpu time spent up to now is 40.7 secs Computing kpt #: 87 total cpu time spent up to now is 41.2 secs Computing kpt #: 88 total cpu time spent up to now is 41.7 secs Computing kpt #: 89 total cpu time spent up to now is 42.1 secs Computing kpt #: 90 total cpu time spent up to now is 42.5 secs Computing kpt #: 91 total cpu time spent up to now is 43.0 secs Computing kpt #: 92 total cpu time spent up to now is 43.4 secs Computing kpt #: 93 total cpu time spent up to now is 43.9 secs Computing kpt #: 94 total cpu time spent up to now is 44.3 secs Computing kpt #: 95 total cpu time spent up to now is 44.7 secs Computing kpt #: 96 total cpu time spent up to now is 45.2 secs Computing kpt #: 97 total cpu time spent up to now is 45.6 secs Computing kpt #: 98 total cpu time spent up to now is 46.0 secs Computing kpt #: 99 total cpu time spent up to now is 46.5 secs Computing kpt #: 100 total cpu time spent up to now is 46.9 secs Computing kpt #: 101 total cpu time spent up to now is 47.3 secs Computing kpt #: 102 total cpu time spent up to now is 47.7 secs Computing kpt #: 103 total cpu time spent up to now is 48.2 secs Computing kpt #: 104 total cpu time spent up to now is 48.6 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.4 secs Computing kpt #: 107 total cpu time spent up to now is 49.8 secs Computing kpt #: 108 total cpu time spent up to now is 50.3 secs Computing kpt #: 109 total cpu time spent up to now is 50.7 secs Computing kpt #: 110 total cpu time spent up to now is 51.1 secs Computing kpt #: 111 total cpu time spent up to now is 51.5 secs Computing kpt #: 112 total cpu time spent up to now is 52.0 secs Computing kpt #: 113 total cpu time spent up to now is 52.4 secs Computing kpt #: 114 total cpu time spent up to now is 52.8 secs Computing kpt #: 115 total cpu time spent up to now is 53.3 secs Computing kpt #: 116 total cpu time spent up to now is 53.7 secs Computing kpt #: 117 total cpu time spent up to now is 54.2 secs Computing kpt #: 118 total cpu time spent up to now is 54.7 secs Computing kpt #: 119 total cpu time spent up to now is 55.1 secs Computing kpt #: 120 total cpu time spent up to now is 55.5 secs Computing kpt #: 121 total cpu time spent up to now is 56.0 secs Computing kpt #: 122 total cpu time spent up to now is 56.4 secs Computing kpt #: 123 total cpu time spent up to now is 56.9 secs Computing kpt #: 124 total cpu time spent up to now is 57.3 secs Computing kpt #: 125 total cpu time spent up to now is 57.7 secs Computing kpt #: 126 total cpu time spent up to now is 58.2 secs Computing kpt #: 127 total cpu time spent up to now is 58.6 secs Computing kpt #: 128 total cpu time spent up to now is 59.0 secs Computing kpt #: 129 total cpu time spent up to now is 59.5 secs Computing kpt #: 130 total cpu time spent up to now is 59.9 secs Computing kpt #: 131 total cpu time spent up to now is 60.4 secs Computing kpt #: 132 total cpu time spent up to now is 60.9 secs Computing kpt #: 133 total cpu time spent up to now is 61.4 secs Computing kpt #: 134 total cpu time spent up to now is 61.8 secs Computing kpt #: 135 total cpu time spent up to now is 62.3 secs Computing kpt #: 136 total cpu time spent up to now is 62.8 secs Computing kpt #: 137 total cpu time spent up to now is 63.3 secs Computing kpt #: 138 total cpu time spent up to now is 63.8 secs Computing kpt #: 139 total cpu time spent up to now is 64.3 secs Computing kpt #: 140 total cpu time spent up to now is 64.8 secs Computing kpt #: 141 total cpu time spent up to now is 65.3 secs Computing kpt #: 142 total cpu time spent up to now is 65.8 secs Computing kpt #: 143 total cpu time spent up to now is 66.3 secs Computing kpt #: 144 total cpu time spent up to now is 66.8 secs Computing kpt #: 145 total cpu time spent up to now is 67.3 secs Computing kpt #: 146 total cpu time spent up to now is 67.8 secs Computing kpt #: 147 total cpu time spent up to now is 68.3 secs Computing kpt #: 148 total cpu time spent up to now is 68.7 secs Computing kpt #: 149 total cpu time spent up to now is 69.2 secs Computing kpt #: 150 total cpu time spent up to now is 69.6 secs Computing kpt #: 151 total cpu time spent up to now is 70.1 secs Computing kpt #: 152 total cpu time spent up to now is 70.5 secs Computing kpt #: 153 total cpu time spent up to now is 70.9 secs Computing kpt #: 154 total cpu time spent up to now is 71.4 secs Computing kpt #: 155 total cpu time spent up to now is 71.9 secs Computing kpt #: 156 total cpu time spent up to now is 72.3 secs Computing kpt #: 157 total cpu time spent up to now is 72.8 secs Computing kpt #: 158 total cpu time spent up to now is 73.2 secs Computing kpt #: 159 total cpu time spent up to now is 73.7 secs Computing kpt #: 160 total cpu time spent up to now is 74.1 secs Computing kpt #: 161 total cpu time spent up to now is 74.6 secs Computing kpt #: 162 total cpu time spent up to now is 75.0 secs Computing kpt #: 163 total cpu time spent up to now is 75.5 secs Computing kpt #: 164 total cpu time spent up to now is 76.0 secs Computing kpt #: 165 total cpu time spent up to now is 76.5 secs Computing kpt #: 166 total cpu time spent up to now is 76.9 secs Computing kpt #: 167 total cpu time spent up to now is 77.4 secs Computing kpt #: 168 total cpu time spent up to now is 78.0 secs Computing kpt #: 169 total cpu time spent up to now is 78.5 secs Computing kpt #: 170 total cpu time spent up to now is 79.1 secs Computing kpt #: 171 total cpu time spent up to now is 79.7 secs Computing kpt #: 172 total cpu time spent up to now is 80.3 secs Computing kpt #: 173 total cpu time spent up to now is 80.9 secs Computing kpt #: 174 total cpu time spent up to now is 81.5 secs Computing kpt #: 175 total cpu time spent up to now is 82.1 secs Computing kpt #: 176 total cpu time spent up to now is 82.7 secs Computing kpt #: 177 total cpu time spent up to now is 83.3 secs Computing kpt #: 178 total cpu time spent up to now is 83.9 secs Computing kpt #: 179 total cpu time spent up to now is 84.5 secs Computing kpt #: 180 total cpu time spent up to now is 85.1 secs Computing kpt #: 181 total cpu time spent up to now is 85.7 secs Computing kpt #: 182 total cpu time spent up to now is 86.2 secs Computing kpt #: 183 total cpu time spent up to now is 86.7 secs Computing kpt #: 184 total cpu time spent up to now is 87.2 secs Computing kpt #: 185 total cpu time spent up to now is 87.7 secs Computing kpt #: 186 total cpu time spent up to now is 88.2 secs Computing kpt #: 187 total cpu time spent up to now is 88.7 secs Computing kpt #: 188 total cpu time spent up to now is 89.3 secs Computing kpt #: 189 total cpu time spent up to now is 89.7 secs Computing kpt #: 190 total cpu time spent up to now is 90.2 secs Computing kpt #: 191 total cpu time spent up to now is 90.7 secs Computing kpt #: 192 total cpu time spent up to now is 91.2 secs Computing kpt #: 193 total cpu time spent up to now is 91.7 secs Computing kpt #: 194 total cpu time spent up to now is 92.2 secs Computing kpt #: 195 total cpu time spent up to now is 92.7 secs Computing kpt #: 196 total cpu time spent up to now is 93.2 secs Computing kpt #: 197 total cpu time spent up to now is 93.7 secs Computing kpt #: 198 total cpu time spent up to now is 94.2 secs Computing kpt #: 199 total cpu time spent up to now is 94.7 secs Computing kpt #: 200 total cpu time spent up to now is 95.1 secs Computing kpt #: 201 total cpu time spent up to now is 95.6 secs Computing kpt #: 202 total cpu time spent up to now is 96.1 secs Computing kpt #: 203 total cpu time spent up to now is 96.6 secs Computing kpt #: 204 total cpu time spent up to now is 97.1 secs Computing kpt #: 205 total cpu time spent up to now is 97.6 secs Computing kpt #: 206 total cpu time spent up to now is 98.0 secs Computing kpt #: 207 total cpu time spent up to now is 98.5 secs Computing kpt #: 208 total cpu time spent up to now is 99.0 secs Computing kpt #: 209 total cpu time spent up to now is 99.5 secs Computing kpt #: 210 total cpu time spent up to now is 100.0 secs Computing kpt #: 211 total cpu time spent up to now is 100.4 secs Computing kpt #: 212 total cpu time spent up to now is 100.9 secs Computing kpt #: 213 total cpu time spent up to now is 101.3 secs Computing kpt #: 214 total cpu time spent up to now is 101.8 secs Computing kpt #: 215 total cpu time spent up to now is 102.3 secs Computing kpt #: 216 total cpu time spent up to now is 102.7 secs Computing kpt #: 217 total cpu time spent up to now is 103.2 secs Computing kpt #: 218 total cpu time spent up to now is 103.7 secs Computing kpt #: 219 total cpu time spent up to now is 104.1 secs Computing kpt #: 220 total cpu time spent up to now is 104.6 secs Computing kpt #: 221 total cpu time spent up to now is 105.1 secs Computing kpt #: 222 total cpu time spent up to now is 105.5 secs Computing kpt #: 223 total cpu time spent up to now is 106.0 secs Computing kpt #: 224 total cpu time spent up to now is 106.5 secs Computing kpt #: 225 total cpu time spent up to now is 107.1 secs Computing kpt #: 226 total cpu time spent up to now is 107.6 secs Computing kpt #: 227 total cpu time spent up to now is 108.1 secs Computing kpt #: 228 total cpu time spent up to now is 108.7 secs Computing kpt #: 229 total cpu time spent up to now is 109.2 secs Computing kpt #: 230 total cpu time spent up to now is 109.8 secs Computing kpt #: 231 total cpu time spent up to now is 110.4 secs Computing kpt #: 232 total cpu time spent up to now is 111.0 secs Computing kpt #: 233 total cpu time spent up to now is 111.6 secs Computing kpt #: 234 total cpu time spent up to now is 112.1 secs Computing kpt #: 235 total cpu time spent up to now is 112.7 secs Computing kpt #: 236 total cpu time spent up to now is 113.3 secs Computing kpt #: 237 total cpu time spent up to now is 113.9 secs Computing kpt #: 238 total cpu time spent up to now is 114.4 secs Computing kpt #: 239 total cpu time spent up to now is 115.1 secs Computing kpt #: 240 total cpu time spent up to now is 115.7 secs Computing kpt #: 241 total cpu time spent up to now is 116.3 secs Computing kpt #: 242 total cpu time spent up to now is 116.9 secs Computing kpt #: 243 total cpu time spent up to now is 117.6 secs Computing kpt #: 244 total cpu time spent up to now is 118.2 secs Computing kpt #: 245 total cpu time spent up to now is 118.8 secs Computing kpt #: 246 total cpu time spent up to now is 119.4 secs Computing kpt #: 247 total cpu time spent up to now is 120.0 secs Computing kpt #: 248 total cpu time spent up to now is 120.6 secs Computing kpt #: 249 total cpu time spent up to now is 121.2 secs Computing kpt #: 250 total cpu time spent up to now is 121.8 secs Computing kpt #: 251 total cpu time spent up to now is 122.4 secs Computing kpt #: 252 total cpu time spent up to now is 123.0 secs Computing kpt #: 253 total cpu time spent up to now is 123.6 secs Computing kpt #: 254 total cpu time spent up to now is 124.1 secs Computing kpt #: 255 total cpu time spent up to now is 124.6 secs Computing kpt #: 256 total cpu time spent up to now is 125.2 secs ethr = 2.08E-08, avg # of iterations = 16.4 total cpu time spent up to now is 125.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7707 -37.7707 -37.7707 -37.7707 -4.4770 -4.4770 0.2905 0.2905 0.2928 0.2928 0.2928 0.2928 1.3918 1.3918 1.3918 1.3918 1.3918 1.3918 3.7399 3.7399 7.3135 7.3135 7.3135 7.3135 7.3135 7.3135 8.8895 8.8895 8.8895 8.8895 k = 0.0000 0.0152-0.0000 ( 5699 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7707 -37.7707 -4.4756 -4.4756 0.2787 0.2787 0.2923 0.2923 0.2938 0.2938 1.3918 1.3918 1.3928 1.3928 1.4017 1.4017 3.7378 3.7378 7.3090 7.3090 7.3116 7.3116 7.3144 7.3144 8.8840 8.8840 8.8925 8.8925 k = 0.0000 0.0303-0.0000 ( 5711 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4714 -4.4714 0.2408 0.2408 0.2951 0.2951 0.2967 0.2967 1.3919 1.3919 1.3957 1.3957 1.4297 1.4297 3.7314 3.7314 7.2960 7.2960 7.3064 7.3064 7.3171 7.3171 8.8637 8.8637 8.8958 8.8958 k = 0.0000 0.0455-0.0000 ( 5699 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4645 -4.4645 0.1817 0.1817 0.2997 0.2997 0.3019 0.3019 1.3919 1.3919 1.4007 1.4007 1.4721 1.4721 3.7208 3.7208 7.2748 7.2748 7.2990 7.2990 7.3216 7.3216 8.8304 8.8304 8.9011 8.9011 k = 0.0000 0.0606-0.0000 ( 5683 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0772 -38.0772 -38.0677 -38.0677 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4547 -4.4547 0.1062 0.1062 0.3059 0.3059 0.3092 0.3092 1.3920 1.3920 1.4076 1.4076 1.5241 1.5241 3.7061 3.7061 7.2462 7.2462 7.2907 7.2907 7.3277 7.3277 8.7853 8.7853 8.9085 8.9085 k = 0.0000 0.0758-0.0000 ( 5675 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0772 -38.0772 -38.0678 -38.0678 -37.8022 -37.8022 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7709 -37.7709 -37.7708 -37.7708 -4.4422 -4.4422 0.0182 0.0182 0.3139 0.3139 0.3187 0.3187 1.3921 1.3921 1.4165 1.4165 1.5815 1.5815 3.6873 3.6873 7.2110 7.2110 7.2835 7.2835 7.3355 7.3355 8.7301 8.7301 8.9180 8.9180 k = 0.0000 0.0909-0.0000 ( 5674 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0773 -38.0773 -38.0772 -38.0772 -38.0679 -38.0679 -37.8022 -37.8022 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7709 -37.7709 -37.7708 -37.7708 -4.4269 -4.4269 -0.0789 -0.0789 0.3236 0.3236 0.3303 0.3303 1.3920 1.3920 1.4273 1.4273 1.6407 1.6407 3.6646 3.6646 7.1705 7.1705 7.2792 7.2792 7.3446 7.3446 8.6665 8.6665 8.9294 8.9294 k = 0.0000 0.1061-0.0000 ( 5662 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0773 -38.0773 -38.0771 -38.0771 -38.0679 -38.0679 -37.8021 -37.8021 -37.7958 -37.7958 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7779 -37.7779 -37.7710 -37.7710 -37.7709 -37.7709 -4.4088 -4.4088 -0.1827 -0.1827 0.3350 0.3350 0.3440 0.3440 1.3918 1.3918 1.4400 1.4400 1.6990 1.6990 3.6382 3.6382 7.1255 7.1255 7.2794 7.2794 7.3550 7.3550 8.5963 8.5963 8.9431 8.9431 k = 0.0000 0.1212-0.0000 ( 5674 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0773 -38.0773 -38.0770 -38.0770 -38.0680 -38.0680 -37.8021 -37.8021 -37.7959 -37.7959 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7779 -37.7779 -37.7710 -37.7710 -37.7709 -37.7709 -4.3879 -4.3879 -0.2913 -0.2913 0.3480 0.3480 0.3598 0.3598 1.3913 1.3913 1.4546 1.4546 1.7544 1.7544 3.6081 3.6081 7.0771 7.0771 7.2857 7.2857 7.3662 7.3662 8.5212 8.5212 8.9586 8.9586 k = 0.0000 0.1364-0.0000 ( 5670 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0773 -38.0773 -38.0769 -38.0769 -38.0681 -38.0681 -37.8020 -37.8020 -37.7959 -37.7959 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7778 -37.7778 -37.7711 -37.7711 -37.7710 -37.7710 -4.3643 -4.3643 -0.4034 -0.4034 0.3627 0.3627 0.3776 0.3776 1.3906 1.3906 1.4712 1.4712 1.8053 1.8053 3.5747 3.5747 7.0263 7.0263 7.2995 7.2995 7.3778 7.3778 8.4433 8.4433 8.9761 8.9761 k = 0.0000 0.1515-0.0000 ( 5662 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0773 -38.0773 -38.0768 -38.0768 -38.0682 -38.0682 -37.8019 -37.8019 -37.7959 -37.7959 -37.7951 -37.7951 -37.7950 -37.7950 -37.7779 -37.7779 -37.7778 -37.7778 -37.7712 -37.7712 -37.7711 -37.7711 -4.3379 -4.3379 -0.5180 -0.5180 0.3790 0.3790 0.3976 0.3976 1.3895 1.3895 1.4896 1.4896 1.8507 1.8507 3.5381 3.5381 6.9740 6.9740 7.3218 7.3218 7.3893 7.3893 8.3641 8.3641 8.9956 8.9956 k = 0.0000 0.1667-0.0000 ( 5670 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0773 -38.0773 -38.0768 -38.0768 -38.0683 -38.0683 -37.8018 -37.8018 -37.7960 -37.7960 -37.7951 -37.7951 -37.7950 -37.7950 -37.7779 -37.7779 -37.7777 -37.7777 -37.7712 -37.7712 -37.7711 -37.7711 -4.3088 -4.3088 -0.6342 -0.6342 0.3969 0.3969 0.4195 0.4195 1.3878 1.3878 1.5098 1.5098 1.8896 1.8896 3.4985 3.4985 6.9210 6.9210 7.3534 7.3534 7.3996 7.3996 8.2857 8.2857 9.0168 9.0168 k = 0.0000 0.1818-0.0000 ( 5670 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0773 -38.0773 -38.0766 -38.0766 -38.0684 -38.0684 -37.8017 -37.8017 -37.7960 -37.7960 -37.7951 -37.7951 -37.7949 -37.7949 -37.7779 -37.7779 -37.7777 -37.7777 -37.7713 -37.7713 -37.7712 -37.7712 -4.2769 -4.2769 -0.7515 -0.7515 0.4163 0.4163 0.4434 0.4434 1.3856 1.3856 1.5319 1.5319 1.9215 1.9215 3.4563 3.4563 6.8680 6.8680 7.3950 7.3950 7.4075 7.4075 8.2102 8.2102 9.0400 9.0400 k = 0.0000 0.1970-0.0000 ( 5686 PWs) bands (ev): -71.1329 -71.1329 -71.1316 -71.1316 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0774 -38.0774 -38.0765 -38.0765 -38.0686 -38.0686 -37.8016 -37.8016 -37.7961 -37.7961 -37.7951 -37.7951 -37.7949 -37.7949 -37.7779 -37.7779 -37.7777 -37.7777 -37.7714 -37.7714 -37.7713 -37.7713 -4.2423 -4.2423 -0.8693 -0.8693 0.4373 0.4373 0.4694 0.4694 1.3827 1.3827 1.5557 1.5557 1.9460 1.9460 3.4116 3.4116 6.8156 6.8156 7.4113 7.4113 7.4470 7.4470 8.1401 8.1401 9.0648 9.0648 k = 0.0000 0.2121-0.0000 ( 5686 PWs) bands (ev): -71.1329 -71.1329 -71.1316 -71.1316 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0774 -38.0774 -38.0764 -38.0764 -38.0687 -38.0687 -37.8015 -37.8015 -37.7962 -37.7962 -37.7951 -37.7951 -37.7949 -37.7949 -37.7779 -37.7779 -37.7776 -37.7776 -37.7715 -37.7715 -37.7714 -37.7714 -4.2049 -4.2049 -0.9872 -0.9872 0.4596 0.4596 0.4972 0.4972 1.3790 1.3790 1.5813 1.5813 1.9630 1.9630 3.3647 3.3647 6.7645 6.7645 7.4086 7.4086 7.5093 7.5093 8.0785 8.0785 9.0914 9.0914 k = 0.0000 0.2273-0.0000 ( 5686 PWs) bands (ev): -71.1329 -71.1329 -71.1316 -71.1316 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0774 -38.0774 -38.0763 -38.0763 -38.0689 -38.0689 -37.8014 -37.8014 -37.7963 -37.7963 -37.7951 -37.7951 -37.7949 -37.7949 -37.7779 -37.7779 -37.7776 -37.7776 -37.7716 -37.7716 -37.7714 -37.7714 -4.1649 -4.1649 -1.1050 -1.1050 0.4834 0.4834 0.5271 0.5271 1.3743 1.3743 1.6086 1.6086 1.9725 1.9725 3.3158 3.3158 6.7150 6.7150 7.3969 7.3969 7.5819 7.5819 8.0285 8.0285 9.1195 9.1195 k = 0.0000 0.2424-0.0000 ( 5694 PWs) bands (ev): -71.1328 -71.1328 -71.1316 -71.1316 -71.1314 -71.1314 -71.1314 -71.1314 -38.0778 -38.0778 -38.0774 -38.0774 -38.0761 -38.0761 -38.0690 -38.0690 -37.8013 -37.8013 -37.7964 -37.7964 -37.7950 -37.7950 -37.7948 -37.7948 -37.7779 -37.7779 -37.7775 -37.7775 -37.7718 -37.7718 -37.7715 -37.7715 -4.1221 -4.1221 -1.2223 -1.2223 0.5085 0.5085 0.5588 0.5588 1.3686 1.3686 1.6376 1.6376 1.9747 1.9747 3.2653 3.2653 6.6678 6.6678 7.3739 7.3739 7.6646 7.6646 7.9927 7.9927 9.1489 9.1489 k = 0.0000 0.2576-0.0000 ( 5694 PWs) bands (ev): -71.1328 -71.1328 -71.1317 -71.1317 -71.1314 -71.1314 -71.1314 -71.1314 -38.0778 -38.0778 -38.0774 -38.0774 -38.0760 -38.0760 -38.0692 -38.0692 -37.8012 -37.8012 -37.7965 -37.7965 -37.7950 -37.7950 -37.7948 -37.7948 -37.7779 -37.7779 -37.7775 -37.7775 -37.7719 -37.7719 -37.7716 -37.7716 -4.0766 -4.0766 -1.3388 -1.3388 0.5349 0.5349 0.5923 0.5923 1.3618 1.3618 1.6682 1.6682 1.9699 1.9699 3.2133 3.2133 6.6232 6.6232 7.3388 7.3388 7.7569 7.7569 7.9725 7.9725 9.1798 9.1798 k = 0.0000 0.2727-0.0000 ( 5686 PWs) bands (ev): -71.1328 -71.1328 -71.1317 -71.1317 -71.1314 -71.1314 -71.1314 -71.1314 -38.0778 -38.0778 -38.0774 -38.0774 -38.0758 -38.0758 -38.0694 -38.0694 -37.8010 -37.8010 -37.7966 -37.7966 -37.7950 -37.7950 -37.7948 -37.7948 -37.7778 -37.7778 -37.7774 -37.7774 -37.7720 -37.7720 -37.7717 -37.7717 -4.0285 -4.0285 -1.4545 -1.4545 0.5625 0.5625 0.6277 0.6277 1.3536 1.3536 1.7003 1.7003 1.9585 1.9585 3.1601 3.1601 6.5816 6.5816 7.2925 7.2925 7.8581 7.8581 7.9673 7.9673 9.2118 9.2118 k = 0.0000 0.2879-0.0000 ( 5690 PWs) bands (ev): -71.1328 -71.1328 -71.1317 -71.1317 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0757 -38.0757 -38.0696 -38.0696 -37.8009 -37.8009 -37.7967 -37.7967 -37.7949 -37.7949 -37.7947 -37.7947 -37.7778 -37.7778 -37.7774 -37.7774 -37.7721 -37.7721 -37.7718 -37.7718 -3.9776 -3.9776 -1.5691 -1.5691 0.5911 0.5911 0.6649 0.6649 1.3442 1.3442 1.7341 1.7341 1.9409 1.9409 3.1060 3.1060 6.5433 6.5433 7.2374 7.2374 7.9673 7.9673 7.9749 7.9749 9.2439 9.2439 k = 0.0000 0.3030-0.0000 ( 5698 PWs) bands (ev): -71.1327 -71.1327 -71.1318 -71.1318 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0755 -38.0755 -38.0698 -38.0698 -37.8008 -37.8008 -37.7968 -37.7968 -37.7949 -37.7949 -37.7947 -37.7947 -37.7778 -37.7778 -37.7773 -37.7773 -37.7722 -37.7722 -37.7719 -37.7719 -3.9241 -3.9241 -1.6824 -1.6824 0.6208 0.6208 0.7037 0.7037 1.3332 1.3332 1.7693 1.7693 1.9176 1.9176 3.0511 3.0511 6.5086 6.5086 7.1763 7.1763 7.9927 7.9927 8.0839 8.0839 9.2101 9.2101 k = 0.0000 0.3182-0.0000 ( 5702 PWs) bands (ev): -71.1327 -71.1327 -71.1318 -71.1318 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0753 -38.0753 -38.0700 -38.0700 -37.8006 -37.8006 -37.7969 -37.7969 -37.7949 -37.7949 -37.7947 -37.7947 -37.7777 -37.7777 -37.7773 -37.7773 -37.7723 -37.7723 -37.7720 -37.7720 -3.8680 -3.8680 -1.7944 -1.7944 0.6514 0.6514 0.7443 0.7443 1.3207 1.3207 1.8060 1.8060 1.8893 1.8893 2.9956 2.9956 6.4778 6.4778 7.1118 7.1118 8.0184 8.0184 8.2067 8.2067 9.1656 9.1656 k = 0.0000 0.3333-0.0000 ( 5686 PWs) bands (ev): -71.1326 -71.1326 -71.1318 -71.1318 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0751 -38.0751 -38.0701 -38.0701 -37.8005 -37.8005 -37.7970 -37.7970 -37.7948 -37.7948 -37.7946 -37.7946 -37.7777 -37.7777 -37.7772 -37.7772 -37.7724 -37.7724 -37.7720 -37.7720 -3.8092 -3.8092 -1.9048 -1.9048 0.6828 0.6828 0.7864 0.7864 1.3066 1.3066 1.8441 1.8441 1.8564 1.8564 2.9398 2.9398 6.4512 6.4512 7.0458 7.0458 8.0504 8.0504 8.3344 8.3344 9.1210 9.1210 k = 0.0000 0.3485-0.0000 ( 5702 PWs) bands (ev): -71.1326 -71.1326 -71.1319 -71.1319 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0749 -38.0749 -38.0703 -38.0703 -37.8003 -37.8003 -37.7972 -37.7972 -37.7948 -37.7948 -37.7946 -37.7946 -37.7777 -37.7777 -37.7772 -37.7772 -37.7725 -37.7725 -37.7721 -37.7721 -3.7478 -3.7478 -2.0136 -2.0136 0.7149 0.7149 0.8300 0.8300 1.2909 1.2909 1.8195 1.8195 1.8835 1.8835 2.8838 2.8838 6.4290 6.4290 6.9798 6.9798 8.0871 8.0871 8.4655 8.4655 9.0760 9.0760 k = 0.0000 0.3636-0.0000 ( 5694 PWs) bands (ev): -71.1326 -71.1326 -71.1319 -71.1319 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0774 -38.0774 -38.0747 -38.0747 -38.0706 -38.0706 -37.8002 -37.8002 -37.7973 -37.7973 -37.7948 -37.7948 -37.7946 -37.7946 -37.7776 -37.7776 -37.7772 -37.7772 -37.7726 -37.7726 -37.7722 -37.7722 -3.6839 -3.6839 -2.1207 -2.1207 0.7477 0.7477 0.8751 0.8751 1.2734 1.2734 1.7790 1.7790 1.9243 1.9243 2.8279 2.8279 6.4113 6.4113 6.9149 6.9149 8.1277 8.1277 8.5986 8.5986 9.0304 9.0304 k = 0.0000 0.3788-0.0000 ( 5694 PWs) bands (ev): -71.1325 -71.1325 -71.1319 -71.1319 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0775 -38.0775 -38.0745 -38.0745 -38.0708 -38.0708 -37.8000 -37.8000 -37.7974 -37.7974 -37.7947 -37.7947 -37.7946 -37.7946 -37.7776 -37.7776 -37.7772 -37.7772 -37.7726 -37.7726 -37.7723 -37.7723 -3.6173 -3.6173 -2.2260 -2.2260 0.7808 0.7808 0.9216 0.9216 1.2543 1.2543 1.7356 1.7356 1.9663 1.9663 2.7720 2.7720 6.3984 6.3984 6.8521 6.8521 8.1714 8.1714 8.7316 8.7316 8.9840 8.9840 k = 0.0000 0.3939-0.0000 ( 5694 PWs) bands (ev): -71.1325 -71.1325 -71.1320 -71.1320 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0775 -38.0775 -38.0742 -38.0742 -38.0710 -38.0710 -37.7998 -37.7998 -37.7976 -37.7976 -37.7947 -37.7947 -37.7946 -37.7946 -37.7775 -37.7775 -37.7772 -37.7772 -37.7727 -37.7727 -37.7724 -37.7724 -3.5482 -3.5482 -2.3294 -2.3294 0.8143 0.8143 0.9694 0.9694 1.2334 1.2334 1.6897 1.6897 2.0096 2.0096 2.7164 2.7164 6.3903 6.3903 6.7917 6.7917 8.2176 8.2176 8.8623 8.8623 8.9367 8.9367 k = 0.0000 0.4091-0.0000 ( 5702 PWs) bands (ev): -71.1325 -71.1325 -71.1320 -71.1320 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0775 -38.0775 -38.0740 -38.0740 -38.0713 -38.0713 -37.7997 -37.7997 -37.7978 -37.7978 -37.7947 -37.7947 -37.7945 -37.7945 -37.7775 -37.7775 -37.7771 -37.7771 -37.7728 -37.7728 -37.7725 -37.7725 -3.4766 -3.4766 -2.4309 -2.4309 0.8480 0.8480 1.0183 1.0183 1.2109 1.2109 1.6416 1.6416 2.0540 2.0540 2.6612 2.6612 6.3872 6.3872 6.7345 6.7345 8.2658 8.2658 8.8881 8.8881 8.9885 8.9885 k = 0.0000 0.4242-0.0000 ( 5690 PWs) bands (ev): -71.1324 -71.1324 -71.1320 -71.1320 -71.1314 -71.1314 -71.1314 -71.1314 -38.0777 -38.0777 -38.0775 -38.0775 -38.0738 -38.0738 -38.0714 -38.0714 -37.7995 -37.7995 -37.7979 -37.7979 -37.7946 -37.7946 -37.7945 -37.7945 -37.7774 -37.7774 -37.7771 -37.7771 -37.7728 -37.7728 -37.7725 -37.7725 -3.4025 -3.4025 -2.5303 -2.5303 0.8818 0.8818 1.0684 1.0684 1.1868 1.1868 1.5919 1.5919 2.0995 2.0995 2.6064 2.6064 6.3892 6.3892 6.6808 6.6808 8.3157 8.3157 8.8386 8.8386 9.1070 9.1070 k = 0.0000 0.4394-0.0000 ( 5690 PWs) bands (ev): -71.1324 -71.1324 -71.1321 -71.1321 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0775 -38.0775 -38.0735 -38.0735 -38.0716 -38.0716 -37.7994 -37.7994 -37.7980 -37.7980 -37.7946 -37.7946 -37.7945 -37.7945 -37.7774 -37.7774 -37.7771 -37.7771 -37.7728 -37.7728 -37.7726 -37.7726 -3.3259 -3.3259 -2.6277 -2.6277 0.9154 0.9154 1.1193 1.1193 1.1612 1.1612 1.5408 1.5408 2.1461 2.1461 2.5522 2.5522 6.3962 6.3962 6.6310 6.6310 8.3669 8.3669 8.7881 8.7881 9.2151 9.2151 k = 0.0000 0.4545-0.0000 ( 5690 PWs) bands (ev): -71.1323 -71.1323 -71.1321 -71.1321 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0775 -38.0775 -38.0733 -38.0733 -38.0719 -38.0719 -37.7992 -37.7992 -37.7982 -37.7982 -37.7946 -37.7946 -37.7945 -37.7945 -37.7773 -37.7773 -37.7771 -37.7771 -37.7728 -37.7728 -37.7727 -37.7727 -3.2468 -3.2468 -2.7229 -2.7229 0.9487 0.9487 1.1340 1.1340 1.1712 1.1712 1.4887 1.4887 2.1937 2.1937 2.4986 2.4986 6.4083 6.4083 6.5852 6.5852 8.4190 8.4190 8.7367 8.7367 9.3099 9.3099 k = 0.0000 0.4697-0.0000 ( 5694 PWs) bands (ev): -71.1323 -71.1323 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0775 -38.0775 -38.0731 -38.0731 -38.0721 -38.0721 -37.7990 -37.7990 -37.7984 -37.7984 -37.7946 -37.7946 -37.7945 -37.7945 -37.7773 -37.7773 -37.7771 -37.7771 -37.7728 -37.7728 -37.7727 -37.7727 -3.1653 -3.1653 -2.8159 -2.8159 0.9816 0.9816 1.1057 1.1057 1.2235 1.2235 1.4360 1.4360 2.2423 2.2423 2.4458 2.4458 6.4255 6.4255 6.5439 6.5439 8.4718 8.4718 8.6844 8.6844 9.3891 9.3891 k = 0.0000 0.4848-0.0000 ( 5702 PWs) bands (ev): -71.1323 -71.1323 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0775 -38.0775 -38.0729 -38.0729 -38.0724 -38.0724 -37.7988 -37.7988 -37.7985 -37.7985 -37.7946 -37.7946 -37.7945 -37.7945 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -3.0815 -3.0815 -2.9067 -2.9067 1.0139 1.0139 1.0761 1.0761 1.2764 1.2764 1.3829 1.3829 2.2919 2.2919 2.3937 2.3937 6.4478 6.4478 6.5071 6.5071 8.5251 8.5251 8.6316 8.6316 9.4515 9.4515 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9953 -2.9953 -2.9953 -2.9953 1.0455 1.0455 1.0455 1.0455 1.3296 1.3296 1.3296 1.3296 2.3424 2.3424 2.3424 2.3424 6.4750 6.4750 6.4750 6.4750 8.5784 8.5784 8.5784 8.5784 9.4969 9.4969 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9953 -2.9953 -2.9953 -2.9953 1.0455 1.0455 1.0455 1.0455 1.3296 1.3296 1.3296 1.3296 2.3424 2.3424 2.3424 2.3424 6.4750 6.4750 6.4750 6.4750 8.5784 8.5784 8.5784 8.5784 9.4969 9.4969 k = 0.0152 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9939 -2.9939 -2.9939 -2.9939 1.0395 1.0395 1.0395 1.0395 1.3304 1.3304 1.3304 1.3304 2.3435 2.3435 2.3435 2.3435 6.4815 6.4815 6.4815 6.4815 8.5731 8.5731 8.5731 8.5731 9.4937 9.4937 k = 0.0303 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0776 -38.0776 -38.0726 -38.0726 -38.0726 -38.0726 -37.7987 -37.7987 -37.7987 -37.7987 -37.7945 -37.7945 -37.7945 -37.7945 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9899 -2.9899 -2.9899 -2.9899 1.0219 1.0219 1.0219 1.0219 1.3329 1.3329 1.3329 1.3329 2.3468 2.3468 2.3468 2.3468 6.5009 6.5009 6.5009 6.5009 8.5575 8.5575 8.5575 8.5575 9.4840 9.4840 k = 0.0455 0.5000-0.0000 ( 5698 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0776 -38.0776 -38.0726 -38.0726 -38.0726 -38.0726 -37.7987 -37.7987 -37.7987 -37.7987 -37.7945 -37.7945 -37.7945 -37.7945 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9833 -2.9833 -2.9833 -2.9833 0.9931 0.9931 0.9931 0.9931 1.3370 1.3370 1.3370 1.3370 2.3520 2.3520 2.3520 2.3520 6.5328 6.5328 6.5328 6.5328 8.5324 8.5324 8.5324 8.5324 9.4678 9.4678 k = 0.0606 0.5000-0.0000 ( 5694 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7945 -37.7945 -37.7945 -37.7945 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9739 -2.9739 -2.9739 -2.9739 0.9538 0.9538 0.9538 0.9538 1.3427 1.3427 1.3427 1.3427 2.3585 2.3585 2.3585 2.3585 6.5771 6.5771 6.5771 6.5771 8.4991 8.4991 8.4991 8.4991 9.4452 9.4452 k = 0.0758 0.5000-0.0000 ( 5680 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7945 -37.7945 -37.7945 -37.7945 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9619 -2.9619 -2.9619 -2.9619 0.9050 0.9050 0.9050 0.9050 1.3500 1.3500 1.3500 1.3500 2.3660 2.3660 2.3660 2.3660 6.6329 6.6329 6.6329 6.6329 8.4594 8.4594 8.4594 8.4594 9.4162 9.4162 k = 0.0909 0.5000-0.0000 ( 5688 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9473 -2.9473 -2.9473 -2.9473 0.8476 0.8476 0.8476 0.8476 1.3590 1.3590 1.3590 1.3590 2.3738 2.3738 2.3738 2.3738 6.6997 6.6997 6.6997 6.6997 8.4148 8.4148 8.4148 8.4148 9.3809 9.3809 k = 0.1061 0.5000-0.0000 ( 5688 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0774 -38.0774 -38.0774 -38.0774 -38.0728 -38.0728 -38.0728 -38.0728 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9300 -2.9300 -2.9300 -2.9300 0.7826 0.7826 0.7826 0.7826 1.3695 1.3695 1.3695 1.3695 2.3815 2.3815 2.3815 2.3815 6.7764 6.7764 6.7764 6.7764 8.3674 8.3674 8.3674 8.3674 9.3395 9.3395 k = 0.1212 0.5000-0.0000 ( 5686 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0774 -38.0774 -38.0774 -38.0774 -38.0728 -38.0728 -38.0728 -38.0728 -37.7986 -37.7986 -37.7986 -37.7986 -37.7946 -37.7946 -37.7946 -37.7946 -37.7771 -37.7771 -37.7771 -37.7771 -37.7728 -37.7728 -37.7728 -37.7728 -2.9101 -2.9101 -2.9101 -2.9101 0.7111 0.7111 0.7111 0.7111 1.3816 1.3816 1.3816 1.3816 2.3886 2.3886 2.3886 2.3886 6.8619 6.8619 6.8619 6.8619 8.3190 8.3190 8.3190 8.3190 9.2923 9.2923 k = 0.1364 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0774 -38.0774 -38.0774 -38.0774 -38.0728 -38.0728 -38.0728 -38.0728 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.8875 -2.8875 -2.8875 -2.8875 0.6339 0.6339 0.6339 0.6339 1.3952 1.3952 1.3952 1.3952 2.3948 2.3948 2.3948 2.3948 6.9549 6.9549 6.9549 6.9549 8.2717 8.2717 8.2717 8.2717 9.2396 9.2396 k = 0.1515 0.5000-0.0000 ( 5692 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0773 -38.0773 -38.0773 -38.0773 -38.0729 -38.0729 -38.0729 -38.0729 -37.7986 -37.7986 -37.7986 -37.7986 -37.7946 -37.7946 -37.7946 -37.7946 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.8623 -2.8623 -2.8623 -2.8623 0.5519 0.5519 0.5519 0.5519 1.4103 1.4103 1.4103 1.4103 2.3997 2.3997 2.3997 2.3997 7.0534 7.0534 7.0534 7.0534 8.2279 8.2279 8.2279 8.2279 9.1818 9.1818 k = 0.1667 0.5000-0.0000 ( 5694 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0773 -38.0773 -38.0773 -38.0773 -38.0729 -38.0729 -38.0729 -38.0729 -37.7986 -37.7986 -37.7986 -37.7986 -37.7946 -37.7946 -37.7946 -37.7946 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.8344 -2.8344 -2.8344 -2.8344 0.4658 0.4658 0.4658 0.4658 1.4269 1.4269 1.4269 1.4269 2.4032 2.4032 2.4032 2.4032 7.1548 7.1548 7.1548 7.1548 8.1906 8.1906 8.1906 8.1906 9.1196 9.1196 k = 0.1818 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0772 -38.0772 -38.0772 -38.0772 -38.0730 -38.0730 -38.0730 -38.0730 -37.7986 -37.7986 -37.7986 -37.7986 -37.7946 -37.7946 -37.7946 -37.7946 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.8040 -2.8040 -2.8040 -2.8040 0.3764 0.3764 0.3764 0.3764 1.4449 1.4449 1.4449 1.4449 2.4051 2.4051 2.4051 2.4051 7.2553 7.2553 7.2553 7.2553 8.1635 8.1635 8.1635 8.1635 9.0534 9.0534 k = 0.1970 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0771 -38.0771 -38.0771 -38.0771 -38.0731 -38.0731 -38.0731 -38.0731 -37.7986 -37.7986 -37.7986 -37.7986 -37.7947 -37.7947 -37.7947 -37.7947 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.7709 -2.7709 -2.7709 -2.7709 0.2842 0.2842 0.2842 0.2842 1.4644 1.4644 1.4644 1.4644 2.4053 2.4053 2.4053 2.4053 7.3494 7.3494 7.3494 7.3494 8.1525 8.1525 8.1525 8.1525 8.9839 8.9839 k = 0.2121 0.5000-0.0000 ( 5704 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0771 -38.0771 -38.0771 -38.0771 -38.0732 -38.0732 -38.0732 -38.0732 -37.7986 -37.7986 -37.7986 -37.7986 -37.7947 -37.7947 -37.7947 -37.7947 -37.7771 -37.7771 -37.7771 -37.7771 -37.7729 -37.7729 -37.7729 -37.7729 -2.7353 -2.7353 -2.7353 -2.7353 0.1899 0.1899 0.1899 0.1899 1.4851 1.4851 1.4851 1.4851 2.4036 2.4036 2.4036 2.4036 7.4299 7.4299 7.4299 7.4299 8.1648 8.1648 8.1648 8.1648 8.9117 8.9117 k = 0.2273 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0770 -38.0770 -38.0770 -38.0770 -38.0732 -38.0732 -38.0732 -38.0732 -37.7986 -37.7986 -37.7986 -37.7986 -37.7947 -37.7947 -37.7947 -37.7947 -37.7770 -37.7770 -37.7770 -37.7770 -37.7730 -37.7730 -37.7730 -37.7730 -2.6970 -2.6970 -2.6970 -2.6970 0.0939 0.0939 0.0939 0.0939 1.5072 1.5072 1.5072 1.5072 2.4001 2.4001 2.4001 2.4001 7.4894 7.4894 7.4894 7.4894 8.2076 8.2076 8.2076 8.2076 8.8374 8.8374 k = 0.2424 0.5000-0.0000 ( 5684 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0769 -38.0769 -38.0769 -38.0769 -38.0733 -38.0733 -38.0733 -38.0733 -37.7986 -37.7986 -37.7986 -37.7986 -37.7947 -37.7947 -37.7947 -37.7947 -37.7770 -37.7770 -37.7770 -37.7770 -37.7730 -37.7730 -37.7730 -37.7730 -2.6562 -2.6562 -2.6562 -2.6562 -0.0034 -0.0034 -0.0034 -0.0034 1.5306 1.5306 1.5306 1.5306 2.3947 2.3947 2.3947 2.3947 7.5250 7.5250 7.5250 7.5250 8.2837 8.2837 8.2837 8.2837 8.7616 8.7616 k = 0.2576 0.5000-0.0000 ( 5692 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0769 -38.0769 -38.0769 -38.0769 -38.0734 -38.0734 -38.0734 -38.0734 -37.7986 -37.7986 -37.7986 -37.7986 -37.7947 -37.7947 -37.7947 -37.7947 -37.7770 -37.7770 -37.7770 -37.7770 -37.7730 -37.7730 -37.7730 -37.7730 -2.6129 -2.6129 -2.6129 -2.6129 -0.1015 -0.1015 -0.1015 -0.1015 1.5551 1.5551 1.5551 1.5551 2.3873 2.3873 2.3873 2.3873 7.5400 7.5400 7.5400 7.5400 8.3897 8.3897 8.3897 8.3897 8.6848 8.6848 k = 0.2727 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0768 -38.0768 -38.0768 -38.0768 -38.0735 -38.0735 -38.0735 -38.0735 -37.7985 -37.7985 -37.7985 -37.7985 -37.7947 -37.7947 -37.7947 -37.7947 -37.7770 -37.7770 -37.7770 -37.7770 -37.7730 -37.7730 -37.7730 -37.7730 -2.5670 -2.5670 -2.5670 -2.5670 -0.2001 -0.2001 -0.2001 -0.2001 1.5807 1.5807 1.5807 1.5807 2.3781 2.3781 2.3781 2.3781 7.5412 7.5412 7.5412 7.5412 8.5185 8.5185 8.5185 8.5185 8.6078 8.6078 k = 0.2879 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0767 -38.0767 -38.0767 -38.0767 -38.0736 -38.0736 -38.0736 -38.0736 -37.7985 -37.7985 -37.7985 -37.7985 -37.7948 -37.7948 -37.7948 -37.7948 -37.7769 -37.7769 -37.7769 -37.7769 -37.7730 -37.7730 -37.7730 -37.7730 -2.5186 -2.5186 -2.5186 -2.5186 -0.2990 -0.2990 -0.2990 -0.2990 1.6074 1.6074 1.6074 1.6074 2.3669 2.3669 2.3669 2.3669 7.5347 7.5347 7.5347 7.5347 8.5306 8.5306 8.5306 8.5306 8.6640 8.6640 k = 0.3030 0.5000-0.0000 ( 5690 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0766 -38.0766 -38.0766 -38.0766 -38.0737 -38.0737 -38.0737 -38.0737 -37.7985 -37.7985 -37.7985 -37.7985 -37.7948 -37.7948 -37.7948 -37.7948 -37.7769 -37.7769 -37.7769 -37.7769 -37.7731 -37.7731 -37.7731 -37.7731 -2.4677 -2.4677 -2.4677 -2.4677 -0.3978 -0.3978 -0.3978 -0.3978 1.6351 1.6351 1.6351 1.6351 2.3538 2.3538 2.3538 2.3538 7.5250 7.5250 7.5250 7.5250 8.4542 8.4542 8.4542 8.4542 8.8211 8.8211 k = 0.3182 0.5000-0.0000 ( 5686 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1316 -71.1316 -71.1316 -71.1316 -38.0765 -38.0765 -38.0765 -38.0765 -38.0738 -38.0738 -38.0738 -38.0738 -37.7985 -37.7985 -37.7985 -37.7985 -37.7948 -37.7948 -37.7948 -37.7948 -37.7769 -37.7769 -37.7769 -37.7769 -37.7731 -37.7731 -37.7731 -37.7731 -2.4144 -2.4144 -2.4144 -2.4144 -0.4962 -0.4962 -0.4962 -0.4962 1.6637 1.6637 1.6637 1.6637 2.3388 2.3388 2.3388 2.3388 7.5148 7.5148 7.5148 7.5148 8.3788 8.3788 8.3788 8.3788 8.9867 8.9867 k = 0.3333 0.5000-0.0000 ( 5686 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1316 -71.1316 -71.1316 -71.1316 -38.0764 -38.0764 -38.0764 -38.0764 -38.0739 -38.0739 -38.0739 -38.0739 -37.7985 -37.7985 -37.7985 -37.7985 -37.7948 -37.7948 -37.7948 -37.7948 -37.7769 -37.7769 -37.7769 -37.7769 -37.7731 -37.7731 -37.7731 -37.7731 -2.3586 -2.3586 -2.3586 -2.3586 -0.5942 -0.5942 -0.5942 -0.5942 1.6931 1.6931 1.6931 1.6931 2.3221 2.3221 2.3221 2.3221 7.5061 7.5061 7.5061 7.5061 8.3047 8.3047 8.3047 8.3047 9.1585 9.1585 k = 0.3485 0.5000-0.0000 ( 5682 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1316 -71.1316 -71.1316 -71.1316 -38.0763 -38.0763 -38.0763 -38.0763 -38.0740 -38.0740 -38.0740 -38.0740 -37.7984 -37.7984 -37.7984 -37.7984 -37.7948 -37.7948 -37.7948 -37.7948 -37.7768 -37.7768 -37.7768 -37.7768 -37.7731 -37.7731 -37.7731 -37.7731 -2.3003 -2.3003 -2.3003 -2.3003 -0.6914 -0.6914 -0.6914 -0.6914 1.7232 1.7232 1.7232 1.7232 2.3035 2.3035 2.3035 2.3035 7.4999 7.4999 7.4999 7.4999 8.2323 8.2323 8.2323 8.2323 9.3351 9.3351 k = 0.3636 0.5000-0.0000 ( 5690 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0762 -38.0762 -38.0762 -38.0762 -38.0741 -38.0741 -38.0741 -38.0741 -37.7984 -37.7984 -37.7984 -37.7984 -37.7949 -37.7949 -37.7949 -37.7949 -37.7768 -37.7768 -37.7768 -37.7768 -37.7731 -37.7731 -37.7731 -37.7731 -2.2397 -2.2397 -2.2397 -2.2397 -0.7876 -0.7876 -0.7876 -0.7876 1.7540 1.7540 1.7540 1.7540 2.2833 2.2833 2.2833 2.2833 7.4971 7.4971 7.4971 7.4971 8.1620 8.1620 8.1620 8.1620 9.5148 9.5148 k = 0.3788 0.5000-0.0000 ( 5690 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0761 -38.0761 -38.0761 -38.0761 -38.0742 -38.0742 -38.0742 -38.0742 -37.7984 -37.7984 -37.7984 -37.7984 -37.7949 -37.7949 -37.7949 -37.7949 -37.7768 -37.7768 -37.7768 -37.7768 -37.7732 -37.7732 -37.7732 -37.7732 -2.1767 -2.1767 -2.1767 -2.1767 -0.8829 -0.8829 -0.8829 -0.8829 1.7853 1.7853 1.7853 1.7853 2.2615 2.2615 2.2615 2.2615 7.4982 7.4982 7.4982 7.4982 8.0941 8.0941 8.0941 8.0941 9.6966 9.6966 k = 0.3939 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0760 -38.0760 -38.0760 -38.0760 -38.0743 -38.0743 -38.0743 -38.0743 -37.7984 -37.7984 -37.7984 -37.7984 -37.7949 -37.7949 -37.7949 -37.7949 -37.7768 -37.7768 -37.7768 -37.7768 -37.7732 -37.7732 -37.7732 -37.7732 -2.1113 -2.1113 -2.1113 -2.1113 -0.9769 -0.9769 -0.9769 -0.9769 1.8171 1.8171 1.8171 1.8171 2.2382 2.2382 2.2382 2.2382 7.5033 7.5033 7.5033 7.5033 8.0288 8.0288 8.0288 8.0288 9.8793 9.8793 k = 0.4091 0.5000-0.0000 ( 5696 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1317 -71.1317 -71.1317 -71.1317 -38.0759 -38.0759 -38.0759 -38.0759 -38.0744 -38.0744 -38.0744 -38.0744 -37.7984 -37.7984 -37.7984 -37.7984 -37.7949 -37.7949 -37.7949 -37.7949 -37.7768 -37.7768 -37.7768 -37.7768 -37.7732 -37.7732 -37.7732 -37.7732 -2.0437 -2.0437 -2.0437 -2.0437 -1.0696 -1.0696 -1.0696 -1.0696 1.8491 1.8491 1.8491 1.8491 2.2134 2.2134 2.2134 2.2134 7.5129 7.5129 7.5129 7.5129 7.9663 7.9663 7.9663 7.9663 10.0616 10.0616 k = 0.4242 0.5000-0.0000 ( 5708 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1317 -71.1317 -71.1317 -71.1317 -38.0758 -38.0758 -38.0758 -38.0758 -38.0746 -38.0746 -38.0746 -38.0746 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7768 -37.7768 -37.7768 -37.7768 -37.7732 -37.7732 -37.7732 -37.7732 -1.9738 -1.9738 -1.9738 -1.9738 -1.1608 -1.1608 -1.1608 -1.1608 1.8814 1.8814 1.8814 1.8814 2.1873 2.1873 2.1873 2.1873 7.5269 7.5269 7.5269 7.5269 7.9071 7.9071 7.9071 7.9071 10.2422 10.2422 k = 0.4394 0.5000-0.0000 ( 5716 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0757 -38.0757 -38.0747 -38.0747 -38.0747 -38.0747 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7768 -37.7768 -37.7768 -37.7768 -37.7732 -37.7732 -37.7732 -37.7732 -1.9016 -1.9016 -1.9016 -1.9016 -1.2505 -1.2505 -1.2505 -1.2505 1.9137 1.9137 1.9137 1.9137 2.1601 2.1601 2.1601 2.1601 7.5455 7.5455 7.5455 7.5455 7.8511 7.8511 7.8511 7.8511 10.4193 10.4193 k = 0.4545 0.5000-0.0000 ( 5704 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0755 -38.0755 -38.0748 -38.0748 -38.0748 -38.0748 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7732 -37.7732 -37.7732 -37.7732 -1.8273 -1.8273 -1.8273 -1.8273 -1.3385 -1.3385 -1.3385 -1.3385 1.9460 1.9460 1.9460 1.9460 2.1317 2.1317 2.1317 2.1317 7.5686 7.5686 7.5686 7.5686 7.7988 7.7988 7.7988 7.7988 10.5913 10.5913 k = 0.4697 0.5000-0.0000 ( 5694 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0754 -38.0754 -38.0749 -38.0749 -38.0749 -38.0749 -37.7983 -37.7983 -37.7983 -37.7983 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7732 -37.7732 -37.7732 -37.7732 -1.7508 -1.7508 -1.7508 -1.7508 -1.4248 -1.4248 -1.4248 -1.4248 1.9782 1.9782 1.9782 1.9782 2.1024 2.1024 2.1024 2.1024 7.5963 7.5963 7.5963 7.5963 7.7501 7.7501 7.7501 7.7501 10.7557 10.7557 k = 0.4848 0.5000-0.0000 ( 5710 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0753 -38.0753 -38.0751 -38.0751 -38.0751 -38.0751 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7733 -37.7733 -37.7733 -37.7733 -1.6723 -1.6723 -1.6723 -1.6723 -1.5092 -1.5092 -1.5092 -1.5092 2.0100 2.0100 2.0100 2.0100 2.0723 2.0723 2.0723 2.0723 7.6283 7.6283 7.6283 7.6283 7.7054 7.7054 7.7054 7.7054 10.9097 10.9097 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7733 -37.7733 -37.7733 -37.7733 -1.5918 -1.5918 -1.5918 -1.5918 -1.5917 -1.5917 -1.5917 -1.5917 2.0406 2.0406 2.0406 2.0406 2.0422 2.0422 2.0422 2.0422 7.6631 7.6631 7.6631 7.6631 7.6664 7.6664 7.6664 7.6664 11.0501 11.0502 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7733 -37.7733 -37.7733 -37.7733 -1.5918 -1.5918 -1.5918 -1.5918 -1.5917 -1.5917 -1.5917 -1.5917 2.0406 2.0406 2.0406 2.0406 2.0422 2.0422 2.0422 2.0422 7.6631 7.6631 7.6631 7.6631 7.6664 7.6664 7.6664 7.6664 11.0501 11.0502 k = 0.4894 0.4894-0.0000 ( 5706 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0750 -38.0750 -37.7984 -37.7984 -37.7983 -37.7983 -37.7951 -37.7951 -37.7949 -37.7949 -37.7768 -37.7768 -37.7767 -37.7767 -37.7733 -37.7733 -37.7732 -37.7732 -1.7058 -1.7058 -1.5908 -1.5908 -1.5902 -1.5902 -1.4761 -1.4761 1.9858 1.9858 2.0298 2.0298 2.0529 2.0529 2.0964 2.0964 7.5822 7.5822 7.6364 7.6364 7.6968 7.6968 7.7509 7.7509 10.8883 10.8883 k = 0.4787 0.4787-0.0000 ( 5700 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0752 -38.0752 -38.0752 -38.0752 -38.0748 -38.0748 -37.7985 -37.7985 -37.7982 -37.7982 -37.7951 -37.7951 -37.7949 -37.7949 -37.7768 -37.7768 -37.7766 -37.7766 -37.7734 -37.7734 -37.7731 -37.7731 -1.8181 -1.8181 -1.5876 -1.5876 -1.5864 -1.5864 -1.3591 -1.3591 1.9298 1.9298 2.0182 2.0182 2.0643 2.0643 2.1507 2.1507 7.5033 7.5033 7.6117 7.6117 7.7326 7.7326 7.8403 7.8403 10.7240 10.7240 k = 0.4681 0.4681-0.0000 ( 5704 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0752 -38.0752 -38.0752 -38.0752 -38.0746 -38.0746 -37.7986 -37.7986 -37.7981 -37.7981 -37.7952 -37.7952 -37.7948 -37.7948 -37.7769 -37.7769 -37.7765 -37.7765 -37.7735 -37.7735 -37.7730 -37.7730 -1.9288 -1.9288 -1.5819 -1.5819 -1.5801 -1.5801 -1.2406 -1.2406 1.8735 1.8735 2.0065 2.0065 2.0757 2.0757 2.2042 2.2042 7.4281 7.4281 7.5907 7.5907 7.7721 7.7721 7.9328 7.9328 10.5584 10.5584 k = 0.4574 0.4574-0.0000 ( 5702 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0758 -38.0758 -38.0753 -38.0753 -38.0752 -38.0752 -38.0744 -38.0744 -37.7986 -37.7986 -37.7980 -37.7980 -37.7952 -37.7952 -37.7947 -37.7947 -37.7770 -37.7770 -37.7764 -37.7764 -37.7736 -37.7736 -37.7729 -37.7729 -2.0376 -2.0376 -1.5738 -1.5738 -1.5715 -1.5715 -1.1209 -1.1209 1.8169 1.8169 1.9948 1.9948 2.0869 2.0869 2.2568 2.2568 7.3569 7.3569 7.5734 7.5734 7.8152 7.8152 8.0281 8.0281 10.3924 10.3924 k = 0.4468 0.4468-0.0000 ( 5690 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0759 -38.0759 -38.0753 -38.0753 -38.0752 -38.0752 -38.0743 -38.0743 -37.7987 -37.7987 -37.7980 -37.7980 -37.7953 -37.7953 -37.7947 -37.7947 -37.7770 -37.7770 -37.7764 -37.7764 -37.7736 -37.7736 -37.7729 -37.7729 -2.1445 -2.1445 -1.5633 -1.5633 -1.5604 -1.5604 -1.0000 -1.0000 1.7601 1.7601 1.9829 1.9829 2.0980 2.0980 2.3085 2.3085 7.2896 7.2896 7.5598 7.5598 7.8619 7.8619 8.1260 8.1260 10.2267 10.2267 k = 0.4362 0.4362-0.0000 ( 5706 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0761 -38.0761 -38.0753 -38.0753 -38.0752 -38.0752 -38.0741 -38.0741 -37.7988 -37.7988 -37.7979 -37.7979 -37.7954 -37.7954 -37.7946 -37.7946 -37.7771 -37.7771 -37.7763 -37.7763 -37.7737 -37.7737 -37.7728 -37.7728 -2.2495 -2.2495 -1.5505 -1.5505 -1.5470 -1.5470 -0.8782 -0.8782 1.7033 1.7033 1.9710 1.9710 2.1089 2.1089 2.3591 2.3591 7.2263 7.2263 7.5497 7.5497 7.9121 7.9121 8.2259 8.2259 10.0618 10.0618 k = 0.4255 0.4255-0.0000 ( 5696 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0762 -38.0762 -38.0753 -38.0753 -38.0752 -38.0752 -38.0738 -38.0738 -37.7989 -37.7989 -37.7978 -37.7978 -37.7954 -37.7954 -37.7946 -37.7946 -37.7771 -37.7771 -37.7763 -37.7763 -37.7738 -37.7738 -37.7727 -37.7727 -2.3525 -2.3525 -1.5353 -1.5353 -1.5313 -1.5313 -0.7555 -0.7555 1.6466 1.6466 1.9590 1.9590 2.1195 2.1195 2.4085 2.4085 7.1670 7.1670 7.5431 7.5431 7.9656 7.9656 8.3273 8.3273 9.8983 9.8983 k = 0.4149 0.4149-0.0000 ( 5692 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0763 -38.0763 -38.0754 -38.0754 -38.0752 -38.0752 -38.0736 -38.0736 -37.7989 -37.7989 -37.7977 -37.7977 -37.7955 -37.7955 -37.7945 -37.7945 -37.7772 -37.7772 -37.7762 -37.7762 -37.7739 -37.7739 -37.7726 -37.7726 -2.4535 -2.4535 -1.5178 -1.5178 -1.5132 -1.5132 -0.6321 -0.6321 1.5901 1.5901 1.9468 1.9468 2.1299 2.1299 2.4568 2.4568 7.1119 7.1119 7.5401 7.5401 8.0222 8.0222 8.4293 8.4293 9.7369 9.7369 k = 0.4043 0.4043-0.0000 ( 5678 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1316 -71.1316 -38.0764 -38.0764 -38.0754 -38.0754 -38.0753 -38.0753 -38.0734 -38.0734 -37.7990 -37.7990 -37.7976 -37.7976 -37.7955 -37.7955 -37.7945 -37.7945 -37.7772 -37.7772 -37.7761 -37.7761 -37.7739 -37.7739 -37.7725 -37.7725 -2.5523 -2.5523 -1.4979 -1.4979 -1.4928 -1.4928 -0.5082 -0.5082 1.5339 1.5339 1.9346 1.9346 2.1399 2.1399 2.5038 2.5038 7.0608 7.0608 7.5404 7.5404 8.0816 8.0816 8.5307 8.5307 9.5783 9.5783 k = 0.3936 0.3936-0.0000 ( 5682 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1316 -71.1316 -38.0765 -38.0765 -38.0755 -38.0755 -38.0753 -38.0753 -38.0732 -38.0732 -37.7991 -37.7991 -37.7976 -37.7976 -37.7955 -37.7955 -37.7944 -37.7944 -37.7773 -37.7773 -37.7761 -37.7761 -37.7739 -37.7739 -37.7725 -37.7725 -2.6490 -2.6490 -1.4756 -1.4756 -1.4700 -1.4700 -0.3841 -0.3841 1.4780 1.4780 1.9222 1.9222 2.1494 2.1494 2.5495 2.5495 7.0137 7.0137 7.5442 7.5442 8.1434 8.1434 8.6298 8.6298 9.4229 9.4229 k = 0.3830 0.3830-0.0000 ( 5682 PWs) bands (ev): -71.1322 -71.1322 -71.1318 -71.1318 -71.1318 -71.1318 -71.1316 -71.1316 -38.0766 -38.0766 -38.0755 -38.0755 -38.0753 -38.0753 -38.0730 -38.0730 -37.7992 -37.7992 -37.7975 -37.7975 -37.7955 -37.7955 -37.7944 -37.7944 -37.7774 -37.7774 -37.7761 -37.7761 -37.7740 -37.7740 -37.7724 -37.7724 -2.7435 -2.7435 -1.4511 -1.4511 -1.4450 -1.4450 -0.2600 -0.2600 1.4227 1.4227 1.9097 1.9097 2.1584 2.1584 2.5938 2.5938 6.9706 6.9706 7.5512 7.5512 8.2069 8.2069 8.7236 8.7236 9.2720 9.2720 k = 0.3723 0.3723-0.0000 ( 5684 PWs) bands (ev): -71.1322 -71.1322 -71.1318 -71.1318 -71.1318 -71.1318 -71.1316 -71.1316 -38.0767 -38.0767 -38.0756 -38.0756 -38.0754 -38.0754 -38.0728 -38.0728 -37.7992 -37.7992 -37.7974 -37.7974 -37.7956 -37.7956 -37.7944 -37.7944 -37.7774 -37.7774 -37.7761 -37.7761 -37.7740 -37.7740 -37.7723 -37.7723 -2.8358 -2.8358 -1.4242 -1.4242 -1.4176 -1.4176 -0.1360 -0.1360 1.3679 1.3679 1.8971 1.8971 2.1668 2.1668 2.6368 2.6368 6.9314 6.9314 7.5615 7.5615 8.2709 8.2709 8.8076 8.8076 9.1268 9.1268 k = 0.3617 0.3617-0.0000 ( 5692 PWs) bands (ev): -71.1322 -71.1322 -71.1318 -71.1318 -71.1318 -71.1318 -71.1316 -71.1316 -38.0768 -38.0768 -38.0757 -38.0757 -38.0755 -38.0755 -38.0726 -38.0726 -37.7993 -37.7993 -37.7974 -37.7974 -37.7956 -37.7956 -37.7944 -37.7944 -37.7775 -37.7775 -37.7761 -37.7761 -37.7740 -37.7740 -37.7723 -37.7723 -2.9258 -2.9258 -1.3951 -1.3951 -1.3880 -1.3880 -0.0127 -0.0127 1.3138 1.3138 1.8844 1.8844 2.1743 2.1743 2.6784 2.6784 6.8960 6.8960 7.5749 7.5749 8.3328 8.3328 8.8741 8.8741 8.9898 8.9898 k = 0.3511 0.3511-0.0000 ( 5676 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0769 -38.0769 -38.0757 -38.0757 -38.0755 -38.0755 -38.0723 -38.0723 -37.7994 -37.7994 -37.7973 -37.7973 -37.7956 -37.7956 -37.7943 -37.7943 -37.7775 -37.7775 -37.7761 -37.7761 -37.7740 -37.7740 -37.7722 -37.7722 -3.0135 -3.0135 -1.3637 -1.3637 -1.3562 -1.3562 0.1099 0.1099 1.2604 1.2604 1.8716 1.8716 2.1810 2.1810 2.7185 2.7185 6.8644 6.8644 7.5915 7.5915 8.3870 8.3870 8.8669 8.8669 8.9130 8.9130 k = 0.3404 0.3404-0.0000 ( 5664 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0770 -38.0770 -38.0758 -38.0758 -38.0755 -38.0755 -38.0721 -38.0721 -37.7995 -37.7995 -37.7972 -37.7972 -37.7956 -37.7956 -37.7943 -37.7943 -37.7775 -37.7775 -37.7761 -37.7761 -37.7739 -37.7739 -37.7721 -37.7721 -3.0989 -3.0989 -1.3300 -1.3300 -1.3222 -1.3222 0.2312 0.2312 1.2079 1.2079 1.8589 1.8589 2.1866 2.1866 2.7573 2.7573 6.8363 6.8363 7.6110 7.6110 8.4184 8.4184 8.7734 8.7734 8.9137 8.9137 k = 0.3298 0.3298-0.0000 ( 5656 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0770 -38.0770 -38.0758 -38.0758 -38.0756 -38.0756 -38.0719 -38.0719 -37.7996 -37.7996 -37.7971 -37.7971 -37.7956 -37.7956 -37.7943 -37.7943 -37.7776 -37.7776 -37.7761 -37.7761 -37.7739 -37.7739 -37.7721 -37.7721 -3.1818 -3.1818 -1.2942 -1.2942 -1.2859 -1.2859 0.3508 0.3508 1.1563 1.1563 1.8461 1.8461 2.1911 2.1911 2.7948 2.7948 6.8117 6.8117 7.6334 7.6334 8.3987 8.3987 8.7372 8.7372 8.8742 8.8742 k = 0.3191 0.3191-0.0000 ( 5676 PWs) bands (ev): -71.1324 -71.1324 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0771 -38.0771 -38.0760 -38.0760 -38.0757 -38.0757 -38.0717 -38.0717 -37.7997 -37.7997 -37.7971 -37.7971 -37.7956 -37.7956 -37.7943 -37.7943 -37.7776 -37.7776 -37.7762 -37.7762 -37.7738 -37.7738 -37.7720 -37.7720 -3.2625 -3.2625 -1.2562 -1.2562 -1.2476 -1.2476 0.4681 0.4681 1.1057 1.1057 1.8336 1.8336 2.1941 2.1941 2.8309 2.8309 6.7903 6.7903 7.6585 7.6585 8.3251 8.3251 8.7608 8.7608 8.8028 8.8028 k = 0.3085 0.3085-0.0000 ( 5694 PWs) bands (ev): -71.1324 -71.1324 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0772 -38.0772 -38.0761 -38.0761 -38.0758 -38.0758 -38.0715 -38.0715 -37.7998 -37.7998 -37.7970 -37.7970 -37.7956 -37.7956 -37.7943 -37.7943 -37.7777 -37.7777 -37.7763 -37.7763 -37.7738 -37.7738 -37.7720 -37.7720 -3.3407 -3.3407 -1.2160 -1.2160 -1.2071 -1.2071 0.5828 0.5828 1.0561 1.0561 1.8212 1.8212 2.1956 2.1956 2.8659 2.8659 6.7719 6.7719 7.6862 7.6862 8.2273 8.2273 8.7110 8.7110 8.8145 8.8145 k = 0.2979 0.2979-0.0000 ( 5688 PWs) bands (ev): -71.1324 -71.1324 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0772 -38.0772 -38.0761 -38.0761 -38.0758 -38.0758 -38.0712 -38.0712 -37.7999 -37.7999 -37.7970 -37.7970 -37.7956 -37.7956 -37.7943 -37.7943 -37.7777 -37.7777 -37.7764 -37.7764 -37.7736 -37.7736 -37.7719 -37.7719 -3.4164 -3.4164 -1.1737 -1.1737 -1.1645 -1.1645 0.6940 0.6940 1.0077 1.0077 1.8093 1.8093 2.1954 2.1954 2.8997 2.8997 6.7565 6.7565 7.7165 7.7165 8.1243 8.1243 8.6088 8.6088 8.8785 8.8785 k = 0.2872 0.2872-0.0000 ( 5694 PWs) bands (ev): -71.1325 -71.1325 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0773 -38.0773 -38.0762 -38.0762 -38.0759 -38.0759 -38.0710 -38.0710 -37.8001 -37.8001 -37.7969 -37.7969 -37.7955 -37.7955 -37.7944 -37.7944 -37.7778 -37.7778 -37.7765 -37.7765 -37.7735 -37.7735 -37.7718 -37.7718 -3.4897 -3.4897 -1.1293 -1.1293 -1.1199 -1.1199 0.8010 0.8010 0.9605 0.9605 1.7979 1.7979 2.1933 2.1933 2.9327 2.9327 6.7438 6.7438 7.7488 7.7488 8.0230 8.0230 8.5022 8.5022 8.9452 8.9452 k = 0.2766 0.2766-0.0000 ( 5698 PWs) bands (ev): -71.1325 -71.1325 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0774 -38.0774 -38.0763 -38.0763 -38.0760 -38.0760 -38.0708 -38.0708 -37.8002 -37.8002 -37.7969 -37.7969 -37.7955 -37.7955 -37.7944 -37.7944 -37.7778 -37.7778 -37.7765 -37.7765 -37.7734 -37.7734 -37.7718 -37.7718 -3.5604 -3.5604 -1.0829 -1.0829 -1.0733 -1.0733 0.9026 0.9026 0.9149 0.9149 1.7874 1.7874 2.1891 2.1891 2.9649 2.9649 6.7337 6.7337 7.7831 7.7831 7.9264 7.9264 8.3956 8.3956 9.0103 9.0103 k = 0.2660 0.2660-0.0000 ( 5702 PWs) bands (ev): -71.1325 -71.1325 -71.1317 -71.1317 -71.1317 -71.1317 -71.1315 -71.1315 -38.0774 -38.0774 -38.0764 -38.0764 -38.0761 -38.0761 -38.0706 -38.0706 -37.8003 -37.8003 -37.7968 -37.7968 -37.7955 -37.7955 -37.7944 -37.7944 -37.7779 -37.7779 -37.7766 -37.7766 -37.7733 -37.7733 -37.7717 -37.7717 -3.6287 -3.6287 -1.0346 -1.0346 -1.0248 -1.0248 0.8699 0.8699 0.9991 0.9991 1.7780 1.7780 2.1826 2.1826 2.9966 2.9966 6.7261 6.7261 7.8183 7.8183 7.8362 7.8362 8.2920 8.2920 9.0709 9.0709 k = 0.2553 0.2553-0.0000 ( 5700 PWs) bands (ev): -71.1326 -71.1326 -71.1316 -71.1316 -71.1316 -71.1316 -71.1315 -71.1315 -38.0774 -38.0774 -38.0765 -38.0765 -38.0762 -38.0762 -38.0704 -38.0704 -37.8004 -37.8004 -37.7967 -37.7967 -37.7955 -37.7955 -37.7944 -37.7944 -37.7779 -37.7779 -37.7767 -37.7767 -37.7732 -37.7732 -37.7716 -37.7716 -3.6944 -3.6944 -0.9843 -0.9843 -0.9745 -0.9745 0.8267 0.8267 1.0879 1.0879 1.7701 1.7701 2.1737 2.1737 3.0280 3.0280 6.7208 6.7208 7.7531 7.7531 7.8529 7.8529 8.1945 8.1945 9.1238 9.1238 k = 0.2447 0.2447-0.0000 ( 5696 PWs) bands (ev): -71.1326 -71.1326 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0774 -38.0774 -38.0766 -38.0766 -38.0762 -38.0762 -38.0702 -38.0702 -37.8005 -37.8005 -37.7967 -37.7967 -37.7954 -37.7954 -37.7945 -37.7945 -37.7779 -37.7779 -37.7768 -37.7768 -37.7730 -37.7730 -37.7716 -37.7716 -3.7576 -3.7576 -0.9321 -0.9321 -0.9222 -0.9222 0.7848 0.7848 1.1684 1.1684 1.7642 1.7642 2.1621 2.1621 3.0595 3.0595 6.7179 6.7179 7.6777 7.6777 7.8817 7.8817 8.1094 8.1094 9.1657 9.1657 k = 0.2340 0.2340-0.0000 ( 5696 PWs) bands (ev): -71.1327 -71.1327 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0775 -38.0775 -38.0766 -38.0766 -38.0763 -38.0763 -38.0700 -38.0700 -37.8007 -37.8007 -37.7966 -37.7966 -37.7954 -37.7954 -37.7945 -37.7945 -37.7779 -37.7779 -37.7769 -37.7769 -37.7729 -37.7729 -37.7715 -37.7715 -3.8182 -3.8182 -0.8781 -0.8781 -0.8683 -0.8683 0.7444 0.7444 1.2393 1.2393 1.7607 1.7607 2.1478 2.1478 3.0914 3.0914 6.7174 6.7174 7.6103 7.6103 7.8874 7.8874 8.0546 8.0546 9.1936 9.1936 k = 0.2234 0.2234-0.0000 ( 5698 PWs) bands (ev): -71.1327 -71.1327 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0775 -38.0775 -38.0767 -38.0767 -38.0764 -38.0764 -38.0698 -38.0698 -37.8008 -37.8008 -37.7965 -37.7965 -37.7954 -37.7954 -37.7945 -37.7945 -37.7779 -37.7779 -37.7770 -37.7770 -37.7728 -37.7728 -37.7715 -37.7715 -3.8762 -3.8762 -0.8225 -0.8225 -0.8127 -0.8127 0.7056 0.7056 1.2994 1.2994 1.7601 1.7601 2.1305 2.1305 3.1240 3.1240 6.7194 6.7194 7.5510 7.5510 7.8474 7.8474 8.0530 8.0530 9.2062 9.2062 k = 0.2128 0.2128-0.0000 ( 5706 PWs) bands (ev): -71.1327 -71.1327 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0776 -38.0776 -38.0768 -38.0768 -38.0765 -38.0765 -38.0697 -38.0697 -37.8009 -37.8009 -37.7965 -37.7965 -37.7954 -37.7954 -37.7946 -37.7946 -37.7780 -37.7780 -37.7771 -37.7771 -37.7726 -37.7726 -37.7714 -37.7714 -3.9316 -3.9316 -0.7652 -0.7652 -0.7555 -0.7555 0.6683 0.6683 1.3480 1.3480 1.7623 1.7623 2.1101 2.1101 3.1576 3.1576 6.7243 6.7243 7.4996 7.4996 7.7822 7.7822 8.0844 8.0844 9.2047 9.2047 k = 0.2021 0.2021-0.0000 ( 5706 PWs) bands (ev): -71.1328 -71.1328 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0776 -38.0776 -38.0768 -38.0768 -38.0765 -38.0765 -38.0695 -38.0695 -37.8010 -37.8010 -37.7964 -37.7964 -37.7953 -37.7953 -37.7946 -37.7946 -37.7780 -37.7780 -37.7772 -37.7772 -37.7725 -37.7725 -37.7714 -37.7714 -3.9844 -3.9844 -0.7064 -0.7064 -0.6969 -0.6969 0.6325 0.6325 1.3849 1.3849 1.7669 1.7669 2.0866 2.0866 3.1926 3.1926 6.7323 6.7323 7.4558 7.4558 7.7136 7.7136 8.1274 8.1274 9.1927 9.1927 k = 0.1915 0.1915-0.0000 ( 5700 PWs) bands (ev): -71.1328 -71.1328 -71.1316 -71.1316 -71.1316 -71.1316 -71.1314 -71.1314 -38.0777 -38.0777 -38.0769 -38.0769 -38.0766 -38.0766 -38.0693 -38.0693 -37.8011 -37.8011 -37.7963 -37.7963 -37.7953 -37.7953 -37.7947 -37.7947 -37.7780 -37.7780 -37.7772 -37.7772 -37.7723 -37.7723 -37.7713 -37.7713 -4.0346 -4.0346 -0.6462 -0.6462 -0.6369 -0.6369 0.5984 0.5984 1.4111 1.4111 1.7725 1.7725 2.0599 2.0599 3.2289 3.2289 6.7438 6.7438 7.4193 7.4193 7.6480 7.6480 8.1751 8.1751 9.1740 9.1740 k = 0.1809 0.1809-0.0000 ( 5694 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0777 -38.0777 -38.0769 -38.0769 -38.0766 -38.0766 -38.0691 -38.0691 -37.8012 -37.8012 -37.7963 -37.7963 -37.7953 -37.7953 -37.7947 -37.7947 -37.7780 -37.7780 -37.7773 -37.7773 -37.7722 -37.7722 -37.7713 -37.7713 -4.0821 -4.0821 -0.5847 -0.5847 -0.5757 -0.5757 0.5660 0.5660 1.4280 1.4280 1.7774 1.7774 2.0300 2.0300 3.2667 3.2667 6.7592 6.7592 7.3894 7.3894 7.5877 7.5877 8.2256 8.2256 9.1516 9.1516 k = 0.1702 0.1702-0.0000 ( 5698 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0777 -38.0777 -38.0770 -38.0770 -38.0767 -38.0767 -38.0690 -38.0690 -37.8014 -37.8014 -37.7962 -37.7962 -37.7953 -37.7953 -37.7948 -37.7948 -37.7780 -37.7780 -37.7774 -37.7774 -37.7720 -37.7720 -37.7712 -37.7712 -4.1270 -4.1270 -0.5221 -0.5221 -0.5134 -0.5134 0.5353 0.5353 1.4377 1.4377 1.7796 1.7796 1.9970 1.9970 3.3058 3.3058 6.7788 6.7788 7.3655 7.3655 7.5334 7.5334 8.2776 8.2776 9.1273 9.1273 k = 0.1596 0.1596-0.0000 ( 5689 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0777 -38.0777 -38.0770 -38.0770 -38.0768 -38.0768 -38.0688 -38.0688 -37.8015 -37.8015 -37.7961 -37.7961 -37.7953 -37.7953 -37.7948 -37.7948 -37.7780 -37.7780 -37.7775 -37.7775 -37.7719 -37.7719 -37.7712 -37.7712 -4.1692 -4.1692 -0.4585 -0.4585 -0.4502 -0.4502 0.5063 0.5063 1.4420 1.4420 1.7775 1.7775 1.9610 1.9610 3.3458 3.3458 6.8028 6.8028 7.3468 7.3468 7.4855 7.4855 8.3307 8.3307 9.1025 9.1025 k = 0.1489 0.1489-0.0000 ( 5689 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0778 -38.0778 -38.0771 -38.0771 -38.0768 -38.0768 -38.0687 -38.0687 -37.8016 -37.8016 -37.7961 -37.7961 -37.7952 -37.7952 -37.7949 -37.7949 -37.7780 -37.7780 -37.7775 -37.7775 -37.7718 -37.7718 -37.7711 -37.7711 -4.2087 -4.2087 -0.3941 -0.3941 -0.3864 -0.3864 0.4791 0.4791 1.4425 1.4425 1.7700 1.7700 1.9221 1.9221 3.3864 3.3864 6.8313 6.8313 7.3326 7.3326 7.4439 7.4439 8.3843 8.3843 9.0780 9.0780 k = 0.1383 0.1383-0.0000 ( 5689 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0778 -38.0778 -38.0771 -38.0771 -38.0769 -38.0769 -38.0685 -38.0685 -37.8017 -37.8017 -37.7960 -37.7960 -37.7952 -37.7952 -37.7949 -37.7949 -37.7780 -37.7780 -37.7776 -37.7776 -37.7716 -37.7716 -37.7711 -37.7711 -4.2455 -4.2455 -0.3293 -0.3293 -0.3221 -0.3221 0.4536 0.4536 1.4405 1.4405 1.7565 1.7565 1.8805 1.8805 3.4270 3.4270 6.8643 6.8643 7.3222 7.3222 7.4086 7.4086 8.4379 8.4379 9.0543 9.0543 k = 0.1277 0.1277-0.0000 ( 5681 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0778 -38.0778 -38.0771 -38.0771 -38.0770 -38.0770 -38.0684 -38.0684 -37.8018 -37.8018 -37.7960 -37.7960 -37.7952 -37.7952 -37.7949 -37.7949 -37.7780 -37.7780 -37.7777 -37.7777 -37.7715 -37.7715 -37.7710 -37.7710 -4.2797 -4.2797 -0.2642 -0.2642 -0.2576 -0.2576 0.4299 0.4299 1.4367 1.4367 1.7372 1.7372 1.8365 1.8365 3.4671 3.4671 6.9014 6.9014 7.3149 7.3149 7.3794 7.3794 8.4911 8.4911 9.0318 9.0318 k = 0.1170 0.1170-0.0000 ( 5679 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0779 -38.0779 -38.0772 -38.0772 -38.0770 -38.0770 -38.0683 -38.0683 -37.8018 -37.8018 -37.7959 -37.7959 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7777 -37.7777 -37.7714 -37.7714 -37.7710 -37.7710 -4.3111 -4.3111 -0.1993 -0.1993 -0.1933 -0.1933 0.4081 0.4081 1.4320 1.4320 1.7124 1.7124 1.7907 1.7907 3.5060 3.5060 6.9422 6.9422 7.3102 7.3102 7.3559 7.3559 8.5435 8.5435 9.0106 9.0106 k = 0.1064 0.1064-0.0000 ( 5675 PWs) bands (ev): -71.1330 -71.1330 -71.1315 -71.1315 -71.1315 -71.1315 -71.1314 -71.1314 -38.0779 -38.0779 -38.0772 -38.0772 -38.0770 -38.0770 -38.0682 -38.0682 -37.8019 -37.8019 -37.7959 -37.7959 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7777 -37.7777 -37.7713 -37.7713 -37.7709 -37.7709 -4.3399 -4.3399 -0.1349 -0.1349 -0.1295 -0.1295 0.3881 0.3881 1.4267 1.4267 1.6827 1.6827 1.7433 1.7433 3.5432 3.5432 6.9858 6.9858 7.3074 7.3074 7.3378 7.3378 8.5945 8.5945 8.9909 8.9909 k = 0.0957 0.0957-0.0000 ( 5671 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0772 -38.0772 -38.0771 -38.0771 -38.0681 -38.0681 -37.8020 -37.8020 -37.7959 -37.7959 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7778 -37.7778 -37.7712 -37.7712 -37.7709 -37.7709 -4.3659 -4.3659 -0.0715 -0.0715 -0.0668 -0.0668 0.3699 0.3699 1.4212 1.4212 1.6491 1.6491 1.6950 1.6950 3.5782 3.5782 7.0313 7.0313 7.3062 7.3062 7.3245 7.3245 8.6435 8.6435 8.9727 8.9727 k = 0.0851 0.0851-0.0000 ( 5669 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0772 -38.0772 -38.0771 -38.0771 -38.0680 -38.0680 -37.8020 -37.8020 -37.7958 -37.7958 -37.7952 -37.7952 -37.7950 -37.7950 -37.7780 -37.7780 -37.7778 -37.7778 -37.7711 -37.7711 -37.7709 -37.7709 -4.3892 -4.3892 -0.0099 -0.0099 -0.0059 -0.0059 0.3536 0.3536 1.4158 1.4158 1.6125 1.6125 1.6465 1.6465 3.6105 3.6105 7.0776 7.0776 7.3061 7.3061 7.3154 7.3154 8.6899 8.6899 8.9562 8.9562 k = 0.0745 0.0745-0.0000 ( 5673 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0772 -38.0772 -38.0772 -38.0772 -38.0679 -38.0679 -37.8021 -37.8021 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7710 -37.7710 -37.7708 -37.7708 -4.4097 -4.4097 0.0493 0.0493 0.0526 0.0526 0.3393 0.3393 1.4106 1.4106 1.5742 1.5742 1.5987 1.5987 3.6398 3.6398 7.1235 7.1235 7.3067 7.3067 7.3100 7.3100 8.7331 8.7331 8.9416 8.9416 k = 0.0638 0.0638-0.0000 ( 5679 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0773 -38.0773 -38.0772 -38.0772 -38.0679 -38.0679 -37.8022 -37.8022 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7710 -37.7710 -37.7708 -37.7708 -4.4276 -4.4276 0.1051 0.1051 0.1078 0.1078 0.3268 0.3268 1.4059 1.4059 1.5356 1.5356 1.5526 1.5526 3.6658 3.6658 7.1674 7.1674 7.3073 7.3073 7.3080 7.3080 8.7723 8.7723 8.9287 8.9287 k = 0.0532 0.0532-0.0000 ( 5677 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0772 -38.0772 -38.0678 -38.0678 -37.8022 -37.8022 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7709 -37.7709 -37.7708 -37.7708 -4.4427 -4.4427 0.1562 0.1562 0.1584 0.1584 0.3162 0.3162 1.4018 1.4018 1.4983 1.4983 1.5095 1.5095 3.6881 3.6881 7.2080 7.2080 7.3071 7.3071 7.3092 7.3092 8.8070 8.8070 8.9176 8.9176 k = 0.0426 0.0426-0.0000 ( 5677 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7780 -37.7780 -37.7709 -37.7709 -37.7708 -37.7708 -4.4550 -4.4550 0.2014 0.2014 0.2032 0.2032 0.3075 0.3075 1.3983 1.3983 1.4639 1.4639 1.4707 1.4707 3.7066 3.7066 7.2437 7.2437 7.3082 7.3082 7.3105 7.3105 8.8365 8.8365 8.9084 8.9084 k = 0.0319 0.0319-0.0000 ( 5695 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4646 -4.4646 0.2390 0.2390 0.2406 0.2406 0.3007 0.3007 1.3955 1.3955 1.4342 1.4342 1.4380 1.4380 3.7211 3.7211 7.2732 7.2732 7.3099 7.3099 7.3117 7.3117 8.8601 8.8601 8.9011 8.9011 k = 0.0213 0.0213-0.0000 ( 5709 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4715 -4.4715 0.2674 0.2674 0.2689 0.2689 0.2959 0.2959 1.3934 1.3934 1.4113 1.4113 1.4129 1.4129 3.7315 3.7315 7.2952 7.2952 7.3117 7.3117 7.3126 7.3126 8.8772 8.8772 8.8958 8.8958 k = 0.0106 0.0106-0.0000 ( 5705 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7707 -37.7707 -4.4756 -4.4756 0.2850 0.2850 0.2867 0.2867 0.2931 0.2931 1.3922 1.3922 1.3968 1.3968 1.3972 1.3972 3.7378 3.7378 7.3088 7.3088 7.3130 7.3130 7.3132 7.3132 8.8871 8.8871 8.8921 8.8921 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7707 -37.7707 -37.7707 -37.7707 -4.4770 -4.4770 0.2905 0.2905 0.2928 0.2928 0.2928 0.2928 1.3918 1.3918 1.3918 1.3918 1.3918 1.3918 3.7399 3.7399 7.3135 7.3135 7.3135 7.3135 7.3135 7.3135 8.8895 8.8895 8.8895 8.8895 k = 0.0000 0.0000 0.0000 ( 5695 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7707 -37.7707 -37.7707 -37.7707 -4.4770 -4.4770 0.2905 0.2905 0.2928 0.2928 0.2928 0.2928 1.3918 1.3918 1.3918 1.3918 1.3918 1.3918 3.7399 3.7399 7.3135 7.3135 7.3135 7.3135 7.3135 7.3135 8.8895 8.8895 8.8895 8.8895 k = 0.0088 0.0088 0.0088 ( 5698 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0676 -38.0676 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7707 -37.7707 -4.4756 -4.4756 0.2867 0.2867 0.2888 0.2888 0.2891 0.2891 1.3950 1.3950 1.3950 1.3950 1.3963 1.3963 3.7378 3.7378 7.3102 7.3102 7.3102 7.3102 7.3145 7.3145 8.8885 8.8885 8.8922 8.8922 k = 0.0175 0.0175 0.0175 ( 5713 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0782 -38.0782 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8024 -37.8024 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7781 -37.7781 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4714 -4.4714 0.2752 0.2752 0.2775 0.2775 0.2784 0.2784 1.4046 1.4046 1.4046 1.4046 1.4096 1.4096 3.7314 3.7314 7.3007 7.3007 7.3007 7.3007 7.3177 7.3177 8.8831 8.8831 8.9000 8.9000 k = 0.0263 0.0263 0.0263 ( 5707 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0773 -38.0773 -38.0677 -38.0677 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7708 -37.7708 -37.7708 -37.7708 -4.4644 -4.4644 0.2562 0.2562 0.2598 0.2598 0.2610 0.2610 1.4200 1.4200 1.4200 1.4200 1.4310 1.4310 3.7207 3.7207 7.2853 7.2853 7.2853 7.2853 7.3229 7.3229 8.8737 8.8737 8.9129 8.9129 k = 0.0351 0.0351 0.0351 ( 5695 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0781 -38.0781 -38.0773 -38.0773 -38.0773 -38.0773 -38.0678 -38.0678 -37.8023 -37.8023 -37.7958 -37.7958 -37.7952 -37.7952 -37.7952 -37.7952 -37.7780 -37.7780 -37.7780 -37.7780 -37.7709 -37.7709 -37.7708 -37.7708 -4.4546 -4.4546 0.2306 0.2306 0.2363 0.2363 0.2376 0.2376 1.4403 1.4403 1.4403 1.4403 1.4595 1.4595 3.7059 3.7059 7.2647 7.2647 7.2648 7.2648 7.3302 7.3302 8.8610 8.8610 8.9304 8.9304 k = 0.0439 0.0439 0.0439 ( 5683 PWs) bands (ev): -71.1331 -71.1331 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0772 -38.0772 -38.0772 -38.0772 -38.0678 -38.0678 -37.8022 -37.8022 -37.7958 -37.7958 -37.7952 -37.7952 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7709 -37.7709 -37.7708 -37.7708 -4.4420 -4.4420 0.1996 0.1996 0.2079 0.2079 0.2092 0.2092 1.4646 1.4646 1.4647 1.4647 1.4938 1.4938 3.6870 3.6870 7.2399 7.2399 7.2399 7.2399 7.3395 7.3395 8.8460 8.8460 8.9523 8.9523 k = 0.0526 0.0526 0.0526 ( 5668 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0772 -38.0772 -38.0772 -38.0772 -38.0679 -38.0679 -37.8022 -37.8022 -37.7958 -37.7958 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7710 -37.7710 -37.7708 -37.7708 -4.4266 -4.4266 0.1643 0.1643 0.1754 0.1754 0.1767 0.1767 1.4918 1.4918 1.4919 1.4919 1.5329 1.5329 3.6643 3.6643 7.2117 7.2117 7.2118 7.2118 7.3509 7.3509 8.8294 8.8294 8.9779 8.9779 k = 0.0614 0.0614 0.0614 ( 5674 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0780 -38.0780 -38.0772 -38.0772 -38.0772 -38.0772 -38.0680 -38.0680 -37.8021 -37.8021 -37.7958 -37.7958 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7779 -37.7779 -37.7711 -37.7711 -37.7708 -37.7708 -4.4084 -4.4084 0.1257 0.1257 0.1395 0.1395 0.1408 0.1408 1.5209 1.5209 1.5211 1.5211 1.5754 1.5754 3.6378 3.6378 7.1813 7.1813 7.1814 7.1814 7.3641 7.3641 8.8120 8.8120 9.0069 9.0069 k = 0.0702 0.0702 0.0702 ( 5674 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0772 -38.0772 -38.0772 -38.0772 -38.0680 -38.0680 -37.8020 -37.8020 -37.7958 -37.7958 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7778 -37.7778 -37.7711 -37.7711 -37.7709 -37.7709 -4.3874 -4.3874 0.0847 0.0847 0.1010 0.1010 0.1023 0.1023 1.5510 1.5510 1.5511 1.5511 1.6202 1.6202 3.6077 3.6077 7.1499 7.1499 7.1500 7.1500 7.3793 7.3793 8.7948 8.7948 9.0390 9.0390 k = 0.0789 0.0789 0.0789 ( 5680 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0771 -38.0771 -38.0771 -38.0771 -38.0681 -38.0681 -37.8020 -37.8020 -37.7959 -37.7959 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7778 -37.7778 -37.7712 -37.7712 -37.7709 -37.7709 -4.3637 -4.3637 0.0420 0.0420 0.0607 0.0607 0.0619 0.0619 1.5810 1.5810 1.5811 1.5811 1.6664 1.6664 3.5745 3.5745 7.1184 7.1184 7.1185 7.1185 7.3963 7.3963 8.7785 8.7785 9.0737 9.0737 k = 0.0877 0.0877 0.0877 ( 5677 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0779 -38.0779 -38.0771 -38.0771 -38.0771 -38.0771 -38.0682 -38.0682 -37.8019 -37.8019 -37.7959 -37.7959 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7777 -37.7777 -37.7713 -37.7713 -37.7709 -37.7709 -4.3371 -4.3371 -0.0018 -0.0018 0.0191 0.0191 0.0203 0.0203 1.6100 1.6100 1.6102 1.6102 1.7128 1.7128 3.5384 3.5384 7.0881 7.0881 7.0882 7.0882 7.4151 7.4151 8.7639 8.7639 9.1109 9.1109 k = 0.0965 0.0965 0.0965 ( 5677 PWs) bands (ev): -71.1330 -71.1330 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -71.1314 -38.0778 -38.0778 -38.0771 -38.0771 -38.0771 -38.0771 -38.0683 -38.0683 -37.8018 -37.8018 -37.7960 -37.7960 -37.7951 -37.7951 -37.7951 -37.7951 -37.7780 -37.7780 -37.7777 -37.7777 -37.7714 -37.7714 -37.7710 -37.7710 -4.3078 -4.3078 -0.0461 -0.0461 -0.0233 -0.0233 -0.0221 -0.0221 1.6375 1.6375 1.6377 1.6377 1.7586 1.7586 3.4997 3.4997 7.0599 7.0599 7.0601 7.0601 7.4356 7.4356 8.7516 8.7516 9.1502 9.1502 k = 0.1053 0.1053 0.1053 ( 5689 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0778 -38.0778 -38.0771 -38.0771 -38.0771 -38.0771 -38.0685 -38.0685 -37.8018 -37.8018 -37.7960 -37.7960 -37.7951 -37.7951 -37.7950 -37.7950 -37.7780 -37.7780 -37.7776 -37.7776 -37.7716 -37.7716 -37.7710 -37.7710 -4.2758 -4.2758 -0.0905 -0.0905 -0.0661 -0.0661 -0.0649 -0.0649 1.6625 1.6625 1.6627 1.6627 1.8029 1.8029 3.4589 3.4589 7.0347 7.0347 7.0350 7.0350 7.4578 7.4578 8.7421 8.7421 9.1916 9.1916 k = 0.1140 0.1140 0.1140 ( 5683 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0778 -38.0778 -38.0770 -38.0770 -38.0770 -38.0770 -38.0686 -38.0686 -37.8017 -37.8017 -37.7961 -37.7961 -37.7951 -37.7951 -37.7950 -37.7950 -37.7780 -37.7780 -37.7776 -37.7776 -37.7717 -37.7717 -37.7710 -37.7710 -4.2410 -4.2410 -0.1346 -0.1346 -0.1088 -0.1088 -0.1077 -0.1077 1.6845 1.6845 1.6847 1.6847 1.8448 1.8448 3.4166 3.4166 7.0136 7.0136 7.0139 7.0139 7.4815 7.4815 8.7359 8.7359 9.2349 9.2349 k = 0.1228 0.1228 0.1228 ( 5689 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0777 -38.0777 -38.0770 -38.0770 -38.0770 -38.0770 -38.0687 -38.0687 -37.8016 -37.8016 -37.7961 -37.7961 -37.7951 -37.7951 -37.7950 -37.7950 -37.7780 -37.7780 -37.7775 -37.7775 -37.7718 -37.7718 -37.7711 -37.7711 -4.2034 -4.2034 -0.1783 -0.1783 -0.1513 -0.1513 -0.1502 -0.1502 1.7030 1.7030 1.7032 1.7032 1.8832 1.8832 3.3732 3.3732 6.9973 6.9973 6.9977 6.9977 7.5068 7.5068 8.7331 8.7331 9.2799 9.2799 k = 0.1316 0.1316 0.1316 ( 5707 PWs) bands (ev): -71.1329 -71.1329 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0777 -38.0777 -38.0770 -38.0770 -38.0770 -38.0770 -38.0688 -38.0688 -37.8015 -37.8015 -37.7962 -37.7962 -37.7951 -37.7951 -37.7950 -37.7950 -37.7781 -37.7781 -37.7774 -37.7774 -37.7720 -37.7720 -37.7711 -37.7711 -4.1631 -4.1631 -0.2212 -0.2212 -0.1932 -0.1932 -0.1921 -0.1921 1.7174 1.7174 1.7176 1.7176 1.9173 1.9173 3.3294 3.3294 6.9865 6.9865 6.9869 6.9869 7.5336 7.5336 8.7342 8.7342 9.3266 9.3266 k = 0.1404 0.1404 0.1404 ( 5719 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0776 -38.0776 -38.0770 -38.0770 -38.0769 -38.0769 -38.0690 -38.0690 -37.8014 -37.8014 -37.7963 -37.7963 -37.7951 -37.7951 -37.7949 -37.7949 -37.7781 -37.7781 -37.7774 -37.7774 -37.7721 -37.7721 -37.7711 -37.7711 -4.1200 -4.1200 -0.2631 -0.2631 -0.2342 -0.2342 -0.2332 -0.2332 1.7273 1.7273 1.7275 1.7275 1.9462 1.9462 3.2857 3.2857 6.9819 6.9819 6.9824 6.9824 7.5617 7.5617 8.7390 8.7390 9.3749 9.3749 k = 0.1491 0.1491 0.1491 ( 5710 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0775 -38.0775 -38.0769 -38.0769 -38.0769 -38.0769 -38.0692 -38.0692 -37.8013 -37.8013 -37.7963 -37.7963 -37.7951 -37.7951 -37.7949 -37.7949 -37.7780 -37.7780 -37.7773 -37.7773 -37.7723 -37.7723 -37.7712 -37.7712 -4.0743 -4.0743 -0.3038 -0.3038 -0.2743 -0.2743 -0.2733 -0.2733 1.7324 1.7324 1.7326 1.7326 1.9687 1.9687 3.2429 3.2429 6.9839 6.9839 6.9845 6.9845 7.5914 7.5914 8.7477 8.7477 9.4249 9.4249 k = 0.1579 0.1579 0.1579 ( 5710 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0775 -38.0775 -38.0769 -38.0769 -38.0768 -38.0768 -38.0693 -38.0693 -37.8012 -37.8012 -37.7964 -37.7964 -37.7951 -37.7951 -37.7949 -37.7949 -37.7780 -37.7780 -37.7772 -37.7772 -37.7724 -37.7724 -37.7712 -37.7712 -4.0258 -4.0258 -0.3433 -0.3433 -0.3132 -0.3132 -0.3122 -0.3122 1.7325 1.7325 1.7327 1.7327 1.9841 1.9841 3.2016 3.2016 6.9931 6.9931 6.9936 6.9936 7.6224 7.6224 8.7601 8.7601 9.4765 9.4765 k = 0.1667 0.1667 0.1667 ( 5731 PWs) bands (ev): -71.1328 -71.1328 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0774 -38.0774 -38.0768 -38.0768 -38.0768 -38.0768 -38.0695 -38.0695 -37.8011 -37.8011 -37.7965 -37.7965 -37.7951 -37.7951 -37.7949 -37.7949 -37.7780 -37.7780 -37.7771 -37.7771 -37.7726 -37.7726 -37.7713 -37.7713 -3.9747 -3.9747 -0.3813 -0.3813 -0.3508 -0.3508 -0.3499 -0.3499 1.7274 1.7274 1.7276 1.7276 1.9915 1.9915 3.1622 3.1622 7.0095 7.0095 7.0101 7.0101 7.6547 7.6547 8.7760 8.7760 9.5296 9.5296 k = 0.1754 0.1754 0.1754 ( 5698 PWs) bands (ev): -71.1327 -71.1327 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0773 -38.0773 -38.0767 -38.0767 -38.0767 -38.0767 -38.0697 -38.0697 -37.8009 -37.8009 -37.7965 -37.7965 -37.7951 -37.7951 -37.7948 -37.7948 -37.7780 -37.7780 -37.7770 -37.7770 -37.7728 -37.7728 -37.7713 -37.7713 -3.9208 -3.9208 -0.4177 -0.4177 -0.3870 -0.3870 -0.3861 -0.3861 1.7171 1.7171 1.7173 1.7173 1.9903 1.9903 3.1251 3.1251 7.0336 7.0336 7.0343 7.0343 7.6885 7.6885 8.7951 8.7951 9.5843 9.5843 k = 0.1842 0.1842 0.1842 ( 5698 PWs) bands (ev): -71.1327 -71.1327 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -71.1315 -38.0772 -38.0772 -38.0767 -38.0767 -38.0767 -38.0767 -38.0699 -38.0699 -37.8008 -37.8008 -37.7966 -37.7966 -37.7951 -37.7951 -37.7948 -37.7948 -37.7779 -37.7779 -37.7769 -37.7769 -37.7729 -37.7729 -37.7713 -37.7713 -3.8643 -3.8643 -0.4526 -0.4526 -0.4217 -0.4217 -0.4208 -0.4208 1.7014 1.7014 1.7016 1.7016 1.9801 1.9801 3.0903 3.0903 7.0653 7.0653 7.0661 7.0661 7.7236 7.7236 8.8170 8.8170 9.6406 9.6406 k = 0.1930 0.1930 0.1930 ( 5689 PWs) bands (ev): -71.1327 -71.1327 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0772 -38.0772 -38.0766 -38.0766 -38.0766 -38.0766 -38.0700 -38.0700 -37.8007 -37.8007 -37.7966 -37.7966 -37.7951 -37.7951 -37.7948 -37.7948 -37.7779 -37.7779 -37.7768 -37.7768 -37.7731 -37.7731 -37.7713 -37.7713 -3.8051 -3.8051 -0.4857 -0.4857 -0.4547 -0.4547 -0.4538 -0.4538 1.6806 1.6806 1.6808 1.6808 1.9609 1.9609 3.0575 3.0575 7.1047 7.1047 7.1055 7.1055 7.7601 7.7601 8.8410 8.8410 9.6983 9.6983 k = 0.2018 0.2018 0.2018 ( 5689 PWs) bands (ev): -71.1326 -71.1326 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0771 -38.0771 -38.0766 -38.0766 -38.0765 -38.0765 -38.0702 -38.0702 -37.8006 -37.8006 -37.7967 -37.7967 -37.7951 -37.7951 -37.7947 -37.7947 -37.7779 -37.7779 -37.7767 -37.7767 -37.7732 -37.7732 -37.7714 -37.7714 -3.7433 -3.7433 -0.5170 -0.5170 -0.4861 -0.4861 -0.4852 -0.4852 1.6548 1.6548 1.6549 1.6549 1.9329 1.9329 3.0263 3.0263 7.1516 7.1516 7.1524 7.1524 7.7981 7.7981 8.8667 8.8667 9.7576 9.7576 k = 0.2105 0.2105 0.2105 ( 5689 PWs) bands (ev): -71.1326 -71.1326 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0770 -38.0770 -38.0765 -38.0765 -38.0765 -38.0765 -38.0704 -38.0704 -37.8005 -37.8005 -37.7967 -37.7967 -37.7951 -37.7951 -37.7947 -37.7947 -37.7778 -37.7778 -37.7766 -37.7766 -37.7734 -37.7734 -37.7714 -37.7714 -3.6789 -3.6789 -0.5465 -0.5465 -0.5157 -0.5157 -0.5148 -0.5148 1.6241 1.6241 1.6243 1.6243 1.8967 1.8967 2.9956 2.9956 7.2059 7.2059 7.2067 7.2067 7.8375 7.8375 8.8932 8.8932 9.8184 9.8184 k = 0.2193 0.2193 0.2193 ( 5689 PWs) bands (ev): -71.1326 -71.1326 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0769 -38.0769 -38.0765 -38.0765 -38.0764 -38.0764 -38.0707 -38.0707 -37.8004 -37.8004 -37.7968 -37.7968 -37.7951 -37.7951 -37.7947 -37.7947 -37.7778 -37.7778 -37.7765 -37.7765 -37.7735 -37.7735 -37.7714 -37.7714 -3.6119 -3.6119 -0.5741 -0.5741 -0.5434 -0.5434 -0.5425 -0.5425 1.5889 1.5889 1.5891 1.5891 1.8531 1.8531 2.9644 2.9644 7.2672 7.2672 7.2682 7.2682 7.8784 7.8784 8.9199 8.9199 9.8806 9.8806 k = 0.2281 0.2281 0.2281 ( 5686 PWs) bands (ev): -71.1325 -71.1325 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0769 -38.0769 -38.0764 -38.0764 -38.0764 -38.0764 -38.0708 -38.0708 -37.8004 -37.8004 -37.7968 -37.7968 -37.7951 -37.7951 -37.7947 -37.7947 -37.7777 -37.7777 -37.7765 -37.7765 -37.7737 -37.7737 -37.7714 -37.7714 -3.5422 -3.5422 -0.5997 -0.5997 -0.5692 -0.5692 -0.5684 -0.5684 1.5495 1.5495 1.5496 1.5496 1.8030 1.8030 2.9318 2.9318 7.3354 7.3354 7.3364 7.3364 7.9209 7.9209 8.9462 8.9462 9.9443 9.9443 k = 0.2368 0.2368 0.2368 ( 5680 PWs) bands (ev): -71.1325 -71.1325 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0768 -38.0768 -38.0763 -38.0763 -38.0763 -38.0763 -38.0710 -38.0710 -37.8003 -37.8003 -37.7969 -37.7969 -37.7952 -37.7952 -37.7947 -37.7947 -37.7777 -37.7777 -37.7764 -37.7764 -37.7738 -37.7738 -37.7714 -37.7714 -3.4701 -3.4701 -0.6233 -0.6233 -0.5931 -0.5931 -0.5923 -0.5923 1.5061 1.5061 1.5062 1.5062 1.7473 1.7473 2.8965 2.8965 7.4100 7.4100 7.4110 7.4110 7.9650 7.9650 8.9713 8.9713 10.0093 10.0093 k = 0.2456 0.2456 0.2456 ( 5680 PWs) bands (ev): -71.1324 -71.1324 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0767 -38.0767 -38.0763 -38.0763 -38.0762 -38.0762 -38.0712 -38.0712 -37.8002 -37.8002 -37.7969 -37.7969 -37.7952 -37.7952 -37.7947 -37.7947 -37.7776 -37.7776 -37.7763 -37.7763 -37.7740 -37.7740 -37.7714 -37.7714 -3.3953 -3.3953 -0.6448 -0.6448 -0.6150 -0.6150 -0.6142 -0.6142 1.4592 1.4592 1.4593 1.4593 1.6870 1.6870 2.8574 2.8574 7.4905 7.4905 7.4916 7.4916 8.0110 8.0110 8.9950 8.9950 10.0758 10.0758 k = 0.2544 0.2544 0.2544 ( 5692 PWs) bands (ev): -71.1324 -71.1324 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0766 -38.0766 -38.0762 -38.0762 -38.0762 -38.0762 -38.0715 -38.0715 -37.8002 -37.8002 -37.7969 -37.7969 -37.7952 -37.7952 -37.7947 -37.7947 -37.7776 -37.7776 -37.7762 -37.7762 -37.7741 -37.7741 -37.7714 -37.7714 -3.3181 -3.3181 -0.6643 -0.6643 -0.6349 -0.6349 -0.6341 -0.6341 1.4090 1.4090 1.4091 1.4091 1.6228 1.6228 2.8138 2.8138 7.5766 7.5766 7.5777 7.5777 8.0587 8.0587 9.0172 9.0172 10.1435 10.1435 k = 0.2632 0.2632 0.2632 ( 5698 PWs) bands (ev): -71.1324 -71.1324 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -71.1316 -38.0766 -38.0766 -38.0762 -38.0762 -38.0761 -38.0761 -38.0717 -38.0717 -37.8002 -37.8002 -37.7969 -37.7969 -37.7952 -37.7952 -37.7948 -37.7948 -37.7775 -37.7775 -37.7761 -37.7761 -37.7743 -37.7743 -37.7714 -37.7714 -3.2383 -3.2383 -0.6817 -0.6817 -0.6527 -0.6527 -0.6519 -0.6519 1.3560 1.3560 1.3561 1.3561 1.5555 1.5555 2.7650 2.7650 7.6679 7.6679 7.6690 7.6690 8.1085 8.1085 9.0385 9.0385 10.1958 10.1958 k = 0.2719 0.2719 0.2719 ( 5698 PWs) bands (ev): -71.1324 -71.1324 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0765 -38.0765 -38.0761 -38.0761 -38.0761 -38.0761 -38.0719 -38.0719 -37.8002 -37.8002 -37.7969 -37.7969 -37.7953 -37.7953 -37.7948 -37.7948 -37.7774 -37.7774 -37.7761 -37.7761 -37.7744 -37.7744 -37.7714 -37.7714 -3.1561 -3.1561 -0.6970 -0.6970 -0.6684 -0.6684 -0.6677 -0.6677 1.3006 1.3006 1.3007 1.3007 1.4858 1.4858 2.7103 2.7103 7.7637 7.7637 7.7648 7.7648 8.1605 8.1605 9.0593 9.0593 10.2157 10.2157 k = 0.2807 0.2807 0.2807 ( 5701 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0764 -38.0764 -38.0761 -38.0761 -38.0760 -38.0760 -38.0721 -38.0721 -37.8002 -37.8002 -37.7969 -37.7969 -37.7953 -37.7953 -37.7948 -37.7948 -37.7773 -37.7773 -37.7760 -37.7760 -37.7745 -37.7745 -37.7714 -37.7714 -3.0714 -3.0714 -0.7101 -0.7101 -0.6821 -0.6821 -0.6813 -0.6813 1.2430 1.2430 1.2431 1.2431 1.4143 1.4143 2.6494 2.6494 7.8635 7.8635 7.8647 7.8647 8.2147 8.2147 9.0805 9.0805 10.2487 10.2487 k = 0.2895 0.2895 0.2895 ( 5716 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0763 -38.0763 -38.0760 -38.0760 -38.0760 -38.0760 -38.0724 -38.0724 -37.8002 -37.8002 -37.7969 -37.7969 -37.7953 -37.7953 -37.7949 -37.7949 -37.7773 -37.7773 -37.7760 -37.7760 -37.7747 -37.7747 -37.7713 -37.7713 -2.9843 -2.9843 -0.7211 -0.7211 -0.6936 -0.6936 -0.6929 -0.6929 1.1836 1.1836 1.1837 1.1837 1.3415 1.3415 2.5822 2.5822 7.9669 7.9669 7.9681 7.9681 8.2713 8.2713 9.1029 9.1029 10.2932 10.2932 k = 0.2982 0.2982 0.2982 ( 5740 PWs) bands (ev): -71.1323 -71.1323 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0763 -38.0763 -38.0760 -38.0760 -38.0760 -38.0760 -38.0726 -38.0726 -37.8003 -37.8003 -37.7969 -37.7969 -37.7954 -37.7954 -37.7950 -37.7950 -37.7772 -37.7772 -37.7759 -37.7759 -37.7748 -37.7748 -37.7713 -37.7713 -2.8949 -2.8949 -0.7299 -0.7299 -0.7030 -0.7030 -0.7023 -0.7023 1.1228 1.1228 1.1229 1.1229 1.2677 1.2677 2.5085 2.5085 8.0732 8.0732 8.0745 8.0745 8.3304 8.3304 9.1272 9.1272 10.3477 10.3477 k = 0.3070 0.3070 0.3070 ( 5734 PWs) bands (ev): -71.1322 -71.1322 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0762 -38.0762 -38.0760 -38.0760 -38.0759 -38.0759 -38.0728 -38.0728 -37.8003 -37.8003 -37.7968 -37.7968 -37.7954 -37.7954 -37.7950 -37.7950 -37.7771 -37.7771 -37.7759 -37.7759 -37.7749 -37.7749 -37.7712 -37.7712 -2.8030 -2.8030 -0.7365 -0.7365 -0.7103 -0.7103 -0.7096 -0.7096 1.0609 1.0609 1.0610 1.0610 1.1935 1.1935 2.4286 2.4286 8.1821 8.1821 8.1833 8.1833 8.3923 8.3923 9.1542 9.1542 10.4106 10.4106 k = 0.3158 0.3158 0.3158 ( 5716 PWs) bands (ev): -71.1322 -71.1322 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0761 -38.0761 -38.0759 -38.0759 -38.0758 -38.0758 -38.0730 -38.0730 -37.8003 -37.8003 -37.7967 -37.7967 -37.7954 -37.7954 -37.7950 -37.7950 -37.7770 -37.7770 -37.7758 -37.7758 -37.7750 -37.7750 -37.7712 -37.7712 -2.7089 -2.7089 -0.7410 -0.7410 -0.7154 -0.7154 -0.7147 -0.7147 0.9981 0.9981 0.9982 0.9982 1.1191 1.1191 2.3425 2.3425 8.2927 8.2927 8.2940 8.2940 8.4569 8.4569 9.1840 9.1840 10.4805 10.4805 k = 0.3246 0.3246 0.3246 ( 5722 PWs) bands (ev): -71.1322 -71.1322 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0761 -38.0761 -38.0759 -38.0759 -38.0758 -38.0758 -38.0731 -38.0731 -37.8004 -37.8004 -37.7967 -37.7967 -37.7954 -37.7954 -37.7951 -37.7951 -37.7770 -37.7770 -37.7758 -37.7758 -37.7751 -37.7751 -37.7711 -37.7711 -2.6124 -2.6124 -0.7432 -0.7432 -0.7183 -0.7183 -0.7177 -0.7177 0.9348 0.9348 0.9349 0.9349 1.0448 1.0448 2.2505 2.2505 8.4046 8.4046 8.4059 8.4059 8.5243 8.5243 9.2168 9.2168 10.5561 10.5561 k = 0.3333 0.3333 0.3333 ( 5728 PWs) bands (ev): -71.1321 -71.1321 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -71.1317 -38.0760 -38.0760 -38.0758 -38.0758 -38.0758 -38.0758 -38.0733 -38.0733 -37.8005 -37.8005 -37.7966 -37.7966 -37.7955 -37.7955 -37.7951 -37.7951 -37.7769 -37.7769 -37.7758 -37.7758 -37.7752 -37.7752 -37.7710 -37.7710 -2.5137 -2.5137 -0.7433 -0.7433 -0.7192 -0.7192 -0.7185 -0.7185 0.8712 0.8712 0.8713 0.8713 0.9709 0.9709 2.1530 2.1530 8.5172 8.5172 8.5184 8.5184 8.5945 8.5945 9.2526 9.2526 10.6362 10.6362 k = 0.3421 0.3421 0.3421 ( 5725 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1317 -71.1317 -38.0759 -38.0759 -38.0758 -38.0758 -38.0757 -38.0757 -38.0735 -38.0735 -37.8005 -37.8005 -37.7966 -37.7966 -37.7955 -37.7955 -37.7952 -37.7952 -37.7768 -37.7768 -37.7758 -37.7758 -37.7752 -37.7752 -37.7710 -37.7710 -2.4128 -2.4128 -0.7412 -0.7412 -0.7179 -0.7179 -0.7173 -0.7173 0.8075 0.8075 0.8076 0.8076 0.8977 0.8977 2.0504 2.0504 8.6297 8.6297 8.6310 8.6310 8.6675 8.6675 9.2912 9.2912 10.7198 10.7198 k = 0.3509 0.3509 0.3509 ( 5722 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0759 -38.0759 -38.0757 -38.0757 -38.0757 -38.0757 -38.0737 -38.0737 -37.8006 -37.8006 -37.7965 -37.7965 -37.7955 -37.7955 -37.7952 -37.7952 -37.7767 -37.7767 -37.7757 -37.7757 -37.7753 -37.7753 -37.7709 -37.7709 -2.3098 -2.3098 -0.7370 -0.7370 -0.7145 -0.7145 -0.7139 -0.7139 0.7441 0.7441 0.7442 0.7442 0.8253 0.8253 1.9431 1.9431 8.7411 8.7411 8.7429 8.7429 8.7436 8.7436 9.3322 9.3322 10.8060 10.8060 k = 0.3596 0.3596 0.3596 ( 5722 PWs) bands (ev): -71.1321 -71.1321 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0758 -38.0758 -38.0757 -38.0757 -38.0756 -38.0756 -38.0739 -38.0739 -37.8007 -37.8007 -37.7965 -37.7965 -37.7956 -37.7956 -37.7953 -37.7953 -37.7766 -37.7766 -37.7757 -37.7757 -37.7754 -37.7754 -37.7708 -37.7708 -2.2047 -2.2047 -0.7306 -0.7306 -0.7091 -0.7091 -0.7085 -0.7085 0.6811 0.6811 0.6812 0.6812 0.7539 0.7539 1.8316 1.8316 8.8211 8.8211 8.8523 8.8523 8.8534 8.8534 9.3753 9.3753 10.8936 10.8936 k = 0.3684 0.3684 0.3684 ( 5728 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0758 -38.0758 -38.0756 -38.0756 -38.0756 -38.0756 -38.0740 -38.0740 -37.8008 -37.8008 -37.7964 -37.7964 -37.7956 -37.7956 -37.7953 -37.7953 -37.7765 -37.7765 -37.7757 -37.7757 -37.7754 -37.7754 -37.7707 -37.7707 -2.0975 -2.0975 -0.7222 -0.7222 -0.7016 -0.7016 -0.7010 -0.7010 0.6187 0.6187 0.6188 0.6188 0.6837 0.6837 1.7163 1.7163 8.9015 8.9015 8.9609 8.9609 8.9620 8.9620 9.4200 9.4200 10.9819 10.9819 k = 0.3772 0.3772 0.3772 ( 5728 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0756 -38.0756 -38.0755 -38.0755 -38.0742 -38.0742 -37.8008 -37.8008 -37.7963 -37.7963 -37.7956 -37.7956 -37.7954 -37.7954 -37.7764 -37.7764 -37.7757 -37.7757 -37.7755 -37.7755 -37.7707 -37.7707 -1.9884 -1.9884 -0.7117 -0.7117 -0.6922 -0.6922 -0.6916 -0.6916 0.5572 0.5572 0.5573 0.5573 0.6150 0.6150 1.5976 1.5976 8.9838 8.9838 9.0668 9.0668 9.0679 9.0679 9.4658 9.4658 11.0700 11.0700 k = 0.3860 0.3860 0.3860 ( 5716 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0755 -38.0755 -38.0755 -38.0755 -38.0743 -38.0743 -37.8009 -37.8009 -37.7963 -37.7963 -37.7956 -37.7956 -37.7954 -37.7954 -37.7764 -37.7764 -37.7757 -37.7757 -37.7755 -37.7755 -37.7706 -37.7706 -1.8773 -1.8773 -0.6992 -0.6992 -0.6808 -0.6808 -0.6802 -0.6802 0.4968 0.4968 0.4969 0.4969 0.5478 0.5478 1.4761 1.4761 9.0677 9.0677 9.1693 9.1693 9.1703 9.1703 9.5123 9.5123 11.1570 11.1570 k = 0.3947 0.3947 0.3947 ( 5719 PWs) bands (ev): -71.1320 -71.1320 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0756 -38.0756 -38.0755 -38.0755 -38.0755 -38.0755 -38.0744 -38.0744 -37.8010 -37.8010 -37.7962 -37.7962 -37.7957 -37.7957 -37.7955 -37.7955 -37.7763 -37.7763 -37.7757 -37.7757 -37.7756 -37.7756 -37.7705 -37.7705 -1.7645 -1.7645 -0.6848 -0.6848 -0.6676 -0.6676 -0.6670 -0.6670 0.4377 0.4377 0.4378 0.4378 0.4824 0.4824 1.3521 1.3521 9.1528 9.1528 9.2677 9.2677 9.2686 9.2686 9.5587 9.5587 11.2420 11.2420 k = 0.4035 0.4035 0.4035 ( 5718 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0756 -38.0756 -38.0755 -38.0755 -38.0754 -38.0754 -38.0746 -38.0746 -37.8010 -37.8010 -37.7962 -37.7962 -37.7957 -37.7957 -37.7955 -37.7955 -37.7762 -37.7762 -37.7757 -37.7757 -37.7756 -37.7756 -37.7704 -37.7704 -1.6500 -1.6500 -0.6686 -0.6686 -0.6527 -0.6527 -0.6521 -0.6521 0.3802 0.3802 0.3802 0.3802 0.4190 0.4190 1.2261 1.2261 9.2385 9.2385 9.3613 9.3613 9.3621 9.3621 9.6045 9.6045 11.3240 11.3240 k = 0.4123 0.4123 0.4123 ( 5718 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0756 -38.0756 -38.0754 -38.0754 -38.0754 -38.0754 -38.0747 -38.0747 -37.8011 -37.8011 -37.7961 -37.7961 -37.7957 -37.7957 -37.7956 -37.7956 -37.7761 -37.7761 -37.7757 -37.7757 -37.7756 -37.7756 -37.7704 -37.7704 -1.5338 -1.5338 -0.6507 -0.6507 -0.6361 -0.6361 -0.6355 -0.6355 0.3243 0.3243 0.3244 0.3244 0.3577 0.3577 1.0985 1.0985 9.3243 9.3243 9.4493 9.4493 9.4501 9.4501 9.6491 9.6491 11.4023 11.4023 k = 0.4211 0.4211 0.4211 ( 5715 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0754 -38.0754 -38.0748 -38.0748 -37.8012 -37.8012 -37.7961 -37.7961 -37.7957 -37.7957 -37.7956 -37.7956 -37.7761 -37.7761 -37.7757 -37.7757 -37.7757 -37.7757 -37.7703 -37.7703 -1.4163 -1.4163 -0.6313 -0.6313 -0.6182 -0.6182 -0.6176 -0.6176 0.2706 0.2706 0.2707 0.2707 0.2988 0.2988 0.9698 0.9698 9.4092 9.4092 9.5312 9.5312 9.5318 9.5318 9.6919 9.6919 11.4760 11.4760 k = 0.4298 0.4298 0.4298 ( 5715 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0754 -38.0754 -38.0749 -38.0749 -37.8012 -37.8012 -37.7960 -37.7960 -37.7958 -37.7958 -37.7957 -37.7957 -37.7760 -37.7760 -37.7757 -37.7757 -37.7757 -37.7757 -37.7702 -37.7702 -1.2975 -1.2975 -0.6107 -0.6107 -0.5991 -0.5991 -0.5985 -0.5985 0.2192 0.2192 0.2193 0.2193 0.2427 0.2427 0.8403 0.8403 9.4924 9.4924 9.6063 9.6063 9.6068 9.6068 9.7324 9.7324 11.5443 11.5443 k = 0.4386 0.4386 0.4386 ( 5721 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0753 -38.0753 -38.0750 -38.0750 -37.8013 -37.8013 -37.7960 -37.7960 -37.7958 -37.7958 -37.7957 -37.7957 -37.7760 -37.7760 -37.7758 -37.7758 -37.7757 -37.7757 -37.7702 -37.7702 -1.1778 -1.1778 -0.5891 -0.5891 -0.5791 -0.5791 -0.5786 -0.5786 0.1707 0.1707 0.1707 0.1707 0.1897 0.1897 0.7107 0.7107 9.5728 9.5728 9.6740 9.6740 9.6744 9.6744 9.7698 9.7698 11.6064 11.6064 k = 0.4474 0.4474 0.4474 ( 5724 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0751 -38.0751 -37.8013 -37.8013 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7759 -37.7759 -37.7758 -37.7758 -37.7757 -37.7757 -37.7701 -37.7701 -1.0576 -1.0576 -0.5670 -0.5670 -0.5588 -0.5588 -0.5582 -0.5582 0.1254 0.1254 0.1254 0.1254 0.1403 0.1403 0.5815 0.5815 9.6488 9.6488 9.7337 9.7337 9.7341 9.7341 9.8036 9.8036 11.6617 11.6617 k = 0.4561 0.4561 0.4561 ( 5724 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0752 -38.0752 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7759 -37.7759 -37.7758 -37.7758 -37.7758 -37.7758 -37.7701 -37.7701 -0.9375 -0.9375 -0.5450 -0.5450 -0.5387 -0.5387 -0.5381 -0.5381 0.0841 0.0841 0.0841 0.0841 0.0951 0.0951 0.4535 0.4535 9.7188 9.7188 9.7851 9.7851 9.7854 9.7854 9.8333 9.8333 11.7096 11.7096 k = 0.4649 0.4649 0.4649 ( 5724 PWs) bands (ev): -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0752 -38.0752 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7701 -37.7701 -0.8187 -0.8187 -0.5241 -0.5241 -0.5195 -0.5195 -0.5190 -0.5190 0.0475 0.0475 0.0476 0.0476 0.0552 0.0552 0.3281 0.3281 9.7809 9.7809 9.8277 9.8277 9.8279 9.8279 9.8584 9.8584 11.7494 11.7494 k = 0.4737 0.4737 0.4737 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0752 -38.0752 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.7035 -0.7035 -0.5053 -0.5053 -0.5025 -0.5025 -0.5019 -0.5019 0.0169 0.0169 0.0169 0.0169 0.0215 0.0215 0.2076 0.2076 9.8326 9.8326 9.8612 9.8612 9.8613 9.8613 9.8784 9.8784 11.7809 11.7809 k = 0.4825 0.4825 0.4825 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5970 -0.5970 -0.4901 -0.4901 -0.4887 -0.4887 -0.4882 -0.4882 -0.0065 -0.0065 -0.0065 -0.0065 -0.0043 -0.0043 0.0973 0.0973 9.8718 9.8718 9.8853 9.8853 9.8854 9.8854 9.8929 9.8929 11.8035 11.8036 k = 0.4912 0.4912 0.4912 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8015 -37.8015 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5120 -0.5120 -0.4804 -0.4804 -0.4795 -0.4795 -0.4793 -0.4793 -0.0213 -0.0213 -0.0213 -0.0213 -0.0207 -0.0207 0.0100 0.0100 9.8964 9.8964 9.8999 9.8999 9.8999 9.8999 9.9018 9.9018 11.8170 11.8175 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -38.0756 -38.0756 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -37.8016 -37.8016 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7701 -37.7701 -0.4775 -0.4775 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 11.8213 11.8213 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -38.0756 -38.0756 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -37.8016 -37.8016 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7701 -37.7701 -0.4775 -0.4775 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 11.8213 11.8213 k = 0.4894 0.5000 0.4894 ( 5726 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8015 -37.8015 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5002 -0.5002 -0.4996 -0.4996 -0.4757 -0.4757 -0.4751 -0.4751 -0.0253 -0.0253 -0.0253 -0.0253 -0.0017 -0.0017 -0.0016 -0.0016 9.8979 9.8979 9.8979 9.8979 9.9012 9.9012 9.9012 9.9012 11.8158 11.8162 k = 0.4787 0.5000 0.4787 ( 5726 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8015 -37.8015 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5596 -0.5596 -0.5590 -0.5590 -0.4725 -0.4725 -0.4718 -0.4718 -0.0222 -0.0222 -0.0222 -0.0222 0.0613 0.0613 0.0614 0.0614 9.8777 9.8777 9.8777 9.8777 9.8907 9.8907 9.8907 9.8907 11.7976 11.7983 k = 0.4681 0.5000 0.4681 ( 5726 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7959 -37.7959 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.6376 -0.6376 -0.6371 -0.6371 -0.4671 -0.4671 -0.4665 -0.4665 -0.0170 -0.0170 -0.0169 -0.0169 0.1453 0.1453 0.1455 0.1455 9.8449 9.8449 9.8449 9.8449 9.8733 9.8733 9.8733 9.8733 11.7679 11.7679 k = 0.4574 0.5000 0.4574 ( 5726 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0752 -38.0752 -37.8014 -37.8014 -37.7959 -37.7959 -37.7959 -37.7959 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7701 -37.7701 -0.7242 -0.7242 -0.7238 -0.7238 -0.4597 -0.4597 -0.4590 -0.4590 -0.0097 -0.0097 -0.0096 -0.0096 0.2403 0.2403 0.2405 0.2405 9.8006 9.8006 9.8006 9.8006 9.8490 9.8490 9.8491 9.8491 11.7270 11.7270 k = 0.4468 0.5000 0.4468 ( 5726 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -37.8014 -37.8014 -37.7959 -37.7959 -37.7959 -37.7959 -37.7958 -37.7958 -37.7759 -37.7759 -37.7758 -37.7758 -37.7758 -37.7758 -37.7701 -37.7701 -0.8145 -0.8145 -0.8141 -0.8141 -0.4500 -0.4500 -0.4494 -0.4494 -0.0003 -0.0003 -0.0003 -0.0003 0.3412 0.3412 0.3416 0.3416 9.7462 9.7462 9.7462 9.7462 9.8180 9.8180 9.8180 9.8180 11.6757 11.6757 k = 0.4362 0.5000 0.4362 ( 5722 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0752 -38.0752 -38.0752 -38.0752 -37.8013 -37.8013 -37.7959 -37.7959 -37.7959 -37.7959 -37.7957 -37.7957 -37.7759 -37.7759 -37.7758 -37.7758 -37.7757 -37.7757 -37.7701 -37.7701 -0.9062 -0.9062 -0.9058 -0.9058 -0.4383 -0.4383 -0.4376 -0.4376 0.0111 0.0111 0.0111 0.0111 0.4458 0.4458 0.4461 0.4461 9.6830 9.6830 9.6830 9.6830 9.7803 9.7803 9.7804 9.7804 11.6148 11.6148 k = 0.4255 0.5000 0.4255 ( 5720 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0752 -38.0752 -38.0751 -38.0751 -37.8013 -37.8013 -37.7959 -37.7959 -37.7959 -37.7959 -37.7957 -37.7957 -37.7760 -37.7760 -37.7758 -37.7758 -37.7757 -37.7757 -37.7702 -37.7702 -0.9980 -0.9980 -0.9977 -0.9977 -0.4245 -0.4245 -0.4238 -0.4238 0.0245 0.0245 0.0246 0.0246 0.5526 0.5526 0.5530 0.5530 9.6125 9.6125 9.6125 9.6125 9.7362 9.7362 9.7363 9.7363 11.5454 11.5454 k = 0.4149 0.5000 0.4149 ( 5724 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0754 -38.0754 -38.0751 -38.0751 -38.0751 -38.0751 -37.8012 -37.8012 -37.7960 -37.7960 -37.7959 -37.7959 -37.7956 -37.7956 -37.7760 -37.7760 -37.7758 -37.7758 -37.7757 -37.7757 -37.7702 -37.7702 -1.0893 -1.0893 -1.0890 -1.0890 -0.4085 -0.4085 -0.4078 -0.4078 0.0399 0.0399 0.0400 0.0400 0.6607 0.6607 0.6612 0.6612 9.5359 9.5359 9.5359 9.5359 9.6857 9.6857 9.6859 9.6859 11.4691 11.4691 k = 0.4043 0.5000 0.4043 ( 5724 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0756 -38.0756 -38.0755 -38.0755 -38.0751 -38.0751 -38.0750 -38.0750 -37.8012 -37.8012 -37.7960 -37.7960 -37.7959 -37.7959 -37.7956 -37.7956 -37.7761 -37.7761 -37.7758 -37.7758 -37.7756 -37.7756 -37.7703 -37.7703 -1.1795 -1.1795 -1.1793 -1.1793 -0.3905 -0.3905 -0.3898 -0.3898 0.0574 0.0574 0.0574 0.0574 0.7697 0.7697 0.7702 0.7702 9.4544 9.4544 9.4544 9.4544 9.6292 9.6292 9.6294 9.6294 11.3871 11.3871 k = 0.3936 0.5000 0.3936 ( 5720 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0756 -38.0756 -38.0755 -38.0755 -38.0750 -38.0750 -38.0750 -38.0750 -37.8011 -37.8011 -37.7960 -37.7960 -37.7959 -37.7959 -37.7955 -37.7955 -37.7761 -37.7761 -37.7758 -37.7758 -37.7756 -37.7756 -37.7704 -37.7704 -1.2684 -1.2684 -1.2682 -1.2682 -0.3704 -0.3704 -0.3697 -0.3697 0.0767 0.0767 0.0768 0.0768 0.8790 0.8790 0.8795 0.8795 9.3691 9.3691 9.3691 9.3691 9.5668 9.5668 9.5671 9.5671 11.3011 11.3011 k = 0.3830 0.5000 0.3830 ( 5716 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0756 -38.0756 -38.0750 -38.0750 -38.0749 -38.0749 -37.8010 -37.8010 -37.7961 -37.7961 -37.7959 -37.7959 -37.7955 -37.7955 -37.7762 -37.7762 -37.7758 -37.7758 -37.7756 -37.7756 -37.7704 -37.7704 -1.3558 -1.3558 -1.3556 -1.3556 -0.3482 -0.3482 -0.3475 -0.3475 0.0980 0.0980 0.0981 0.0981 0.9882 0.9882 0.9888 0.9888 9.2809 9.2809 9.2809 9.2809 9.4989 9.4989 9.4993 9.4993 11.2123 11.2123 k = 0.3723 0.5000 0.3723 ( 5716 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0757 -38.0757 -38.0756 -38.0756 -38.0749 -38.0749 -38.0748 -38.0748 -37.8010 -37.8010 -37.7961 -37.7961 -37.7959 -37.7959 -37.7954 -37.7954 -37.7762 -37.7762 -37.7758 -37.7758 -37.7755 -37.7755 -37.7705 -37.7705 -1.4416 -1.4416 -1.4414 -1.4414 -0.3240 -0.3240 -0.3233 -0.3233 0.1211 0.1211 0.1213 0.1213 1.0969 1.0969 1.0976 1.0976 9.1905 9.1905 9.1906 9.1906 9.4258 9.4258 9.4263 9.4263 11.1221 11.1221 k = 0.3617 0.5000 0.3617 ( 5722 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0758 -38.0758 -38.0757 -38.0757 -38.0749 -38.0749 -38.0748 -38.0748 -37.8009 -37.8009 -37.7961 -37.7961 -37.7959 -37.7959 -37.7954 -37.7954 -37.7763 -37.7763 -37.7758 -37.7758 -37.7755 -37.7755 -37.7706 -37.7706 -1.5255 -1.5255 -1.5253 -1.5253 -0.2978 -0.2978 -0.2970 -0.2970 0.1461 0.1461 0.1463 0.1463 1.2049 1.2049 1.2055 1.2055 9.0987 9.0987 9.0988 9.0988 9.3480 9.3480 9.3486 9.3486 11.0315 11.0315 k = 0.3511 0.5000 0.3511 ( 5722 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1318 -71.1318 -71.1318 -71.1318 -38.0758 -38.0758 -38.0757 -38.0757 -38.0748 -38.0748 -38.0747 -38.0747 -37.8008 -37.8008 -37.7962 -37.7962 -37.7959 -37.7959 -37.7953 -37.7953 -37.7764 -37.7764 -37.7758 -37.7758 -37.7755 -37.7755 -37.7707 -37.7707 -1.6075 -1.6075 -1.6074 -1.6074 -0.2696 -0.2696 -0.2688 -0.2688 0.1729 0.1729 0.1731 0.1731 1.3116 1.3116 1.3123 1.3123 9.0060 9.0060 9.0061 9.0061 9.2659 9.2659 9.2666 9.2666 10.9417 10.9417 k = 0.3404 0.5000 0.3404 ( 5720 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1317 -71.1317 -71.1317 -71.1317 -38.0759 -38.0759 -38.0758 -38.0758 -38.0747 -38.0747 -38.0746 -38.0746 -37.8007 -37.8007 -37.7962 -37.7962 -37.7959 -37.7959 -37.7952 -37.7952 -37.7764 -37.7764 -37.7758 -37.7758 -37.7754 -37.7754 -37.7708 -37.7708 -1.6876 -1.6876 -1.6874 -1.6874 -0.2395 -0.2395 -0.2387 -0.2387 0.2013 0.2013 0.2016 0.2016 1.4167 1.4167 1.4174 1.4174 8.9129 8.9129 8.9131 8.9131 9.1803 9.1803 9.1811 9.1811 10.8533 10.8533 k = 0.3298 0.5000 0.3298 ( 5712 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1317 -71.1317 -71.1317 -71.1317 -38.0759 -38.0759 -38.0758 -38.0758 -38.0746 -38.0746 -38.0746 -38.0746 -37.8006 -37.8006 -37.7963 -37.7963 -37.7959 -37.7959 -37.7951 -37.7951 -37.7765 -37.7765 -37.7758 -37.7758 -37.7754 -37.7754 -37.7708 -37.7708 -1.7656 -1.7656 -1.7654 -1.7654 -0.2074 -0.2074 -0.2066 -0.2066 0.2315 0.2315 0.2318 0.2318 1.5198 1.5198 1.5206 1.5206 8.8197 8.8197 8.8199 8.8199 9.0920 9.0920 9.0929 9.0929 10.7670 10.7670 k = 0.3191 0.5000 0.3191 ( 5708 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0760 -38.0760 -38.0759 -38.0759 -38.0745 -38.0745 -38.0745 -38.0745 -37.8006 -37.8006 -37.7963 -37.7963 -37.7958 -37.7958 -37.7951 -37.7951 -37.7766 -37.7766 -37.7758 -37.7758 -37.7753 -37.7753 -37.7709 -37.7709 -1.8414 -1.8414 -1.8413 -1.8413 -0.1734 -0.1734 -0.1726 -0.1726 0.2632 0.2632 0.2636 0.2636 1.6206 1.6206 1.6214 1.6214 8.7267 8.7267 8.7269 8.7269 9.0018 9.0018 9.0028 9.0028 10.6832 10.6832 k = 0.3085 0.5000 0.3085 ( 5712 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0761 -38.0761 -38.0760 -38.0760 -38.0745 -38.0745 -38.0744 -38.0744 -37.8005 -37.8005 -37.7964 -37.7964 -37.7958 -37.7958 -37.7950 -37.7950 -37.7767 -37.7767 -37.7758 -37.7758 -37.7752 -37.7752 -37.7710 -37.7710 -1.9152 -1.9152 -1.9150 -1.9150 -0.1376 -0.1376 -0.1367 -0.1367 0.2965 0.2965 0.2969 0.2969 1.7184 1.7184 1.7193 1.7193 8.6337 8.6337 8.6340 8.6340 8.9110 8.9110 8.9121 8.9121 10.6022 10.6022 k = 0.2979 0.5000 0.2979 ( 5700 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0761 -38.0761 -38.0760 -38.0760 -38.0744 -38.0744 -38.0743 -38.0743 -37.8004 -37.8004 -37.7965 -37.7965 -37.7958 -37.7958 -37.7949 -37.7949 -37.7767 -37.7767 -37.7758 -37.7758 -37.7752 -37.7752 -37.7711 -37.7711 -1.9867 -1.9867 -1.9866 -1.9866 -0.1000 -0.1000 -0.0991 -0.0991 0.3312 0.3312 0.3317 0.3317 1.8130 1.8130 1.8139 1.8139 8.5406 8.5406 8.5409 8.5409 8.8210 8.8210 8.8222 8.8222 10.5243 10.5243 k = 0.2872 0.5000 0.2872 ( 5704 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0762 -38.0762 -38.0761 -38.0761 -38.0743 -38.0743 -38.0742 -38.0742 -37.8003 -37.8003 -37.7965 -37.7965 -37.7958 -37.7958 -37.7949 -37.7949 -37.7768 -37.7768 -37.7758 -37.7758 -37.7751 -37.7751 -37.7712 -37.7712 -2.0559 -2.0559 -2.0558 -2.0558 -0.0606 -0.0606 -0.0597 -0.0597 0.3673 0.3673 0.3679 0.3679 1.9038 1.9038 1.9048 1.9048 8.4470 8.4470 8.4473 8.4473 8.7333 8.7333 8.7346 8.7346 10.4496 10.4496 k = 0.2766 0.5000 0.2766 ( 5708 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0763 -38.0763 -38.0762 -38.0762 -38.0742 -38.0742 -38.0741 -38.0741 -37.8002 -37.8002 -37.7966 -37.7966 -37.7958 -37.7958 -37.7948 -37.7948 -37.7769 -37.7769 -37.7759 -37.7759 -37.7750 -37.7750 -37.7713 -37.7713 -2.1229 -2.1229 -2.1228 -2.1228 -0.0196 -0.0196 -0.0186 -0.0186 0.4047 0.4047 0.4053 0.4053 1.9903 1.9903 1.9913 1.9913 8.3523 8.3523 8.3525 8.3525 8.6498 8.6498 8.6510 8.6510 10.3780 10.3780 k = 0.2660 0.5000 0.2660 ( 5700 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1317 -71.1317 -71.1317 -71.1317 -38.0763 -38.0763 -38.0763 -38.0763 -38.0741 -38.0741 -38.0740 -38.0740 -37.8001 -37.8001 -37.7967 -37.7967 -37.7958 -37.7958 -37.7947 -37.7947 -37.7770 -37.7770 -37.7759 -37.7759 -37.7749 -37.7749 -37.7714 -37.7714 -2.1876 -2.1876 -2.1875 -2.1875 0.0231 0.0231 0.0241 0.0241 0.4433 0.4433 0.4439 0.4439 2.0721 2.0721 2.0732 2.0732 8.2561 8.2561 8.2562 8.2562 8.5720 8.5720 8.5731 8.5731 10.3097 10.3097 k = 0.2553 0.5000 0.2553 ( 5696 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1316 -71.1316 -71.1316 -71.1316 -38.0764 -38.0764 -38.0763 -38.0763 -38.0740 -38.0740 -38.0739 -38.0739 -37.8000 -37.8000 -37.7967 -37.7967 -37.7958 -37.7958 -37.7947 -37.7947 -37.7770 -37.7770 -37.7759 -37.7759 -37.7749 -37.7749 -37.7714 -37.7714 -2.2499 -2.2499 -2.2498 -2.2498 0.0674 0.0674 0.0685 0.0685 0.4829 0.4829 0.4836 0.4836 2.1486 2.1486 2.1497 2.1497 8.1579 8.1579 8.1580 8.1580 8.5013 8.5013 8.5023 8.5023 10.2445 10.2445 k = 0.2447 0.5000 0.2447 ( 5700 PWs) bands (ev): -71.1320 -71.1320 -71.1320 -71.1320 -71.1316 -71.1316 -71.1316 -71.1316 -38.0765 -38.0765 -38.0764 -38.0764 -38.0739 -38.0739 -38.0739 -38.0739 -37.8000 -37.8000 -37.7968 -37.7968 -37.7957 -37.7957 -37.7946 -37.7946 -37.7771 -37.7771 -37.7759 -37.7759 -37.7748 -37.7748 -37.7715 -37.7715 -2.3099 -2.3099 -2.3098 -2.3098 0.1131 0.1131 0.1142 0.1142 0.5235 0.5235 0.5243 0.5243 2.2194 2.2194 2.2206 2.2206 8.0578 8.0578 8.0579 8.0579 8.4387 8.4387 8.4395 8.4395 10.1824 10.1824 k = 0.2340 0.5000 0.2340 ( 5698 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0766 -38.0766 -38.0765 -38.0765 -38.0738 -38.0738 -38.0738 -38.0738 -37.7999 -37.7999 -37.7969 -37.7969 -37.7957 -37.7957 -37.7945 -37.7945 -37.7771 -37.7771 -37.7759 -37.7759 -37.7747 -37.7747 -37.7716 -37.7716 -2.3674 -2.3674 -2.3673 -2.3673 0.1602 0.1602 0.1614 0.1614 0.5649 0.5649 0.5658 0.5658 2.2841 2.2841 2.2853 2.2853 7.9562 7.9562 7.9564 7.9564 8.3848 8.3848 8.3855 8.3855 10.1233 10.1233 k = 0.2234 0.5000 0.2234 ( 5700 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0766 -38.0766 -38.0766 -38.0766 -38.0737 -38.0737 -38.0737 -38.0737 -37.7998 -37.7998 -37.7970 -37.7970 -37.7957 -37.7957 -37.7945 -37.7945 -37.7772 -37.7772 -37.7760 -37.7760 -37.7746 -37.7746 -37.7717 -37.7717 -2.4225 -2.4225 -2.4225 -2.4225 0.2086 0.2086 0.2098 0.2098 0.6071 0.6071 0.6080 0.6080 2.3422 2.3422 2.3434 2.3434 7.8535 7.8535 7.8539 7.8539 8.3399 8.3399 8.3404 8.3404 10.0672 10.0672 k = 0.2128 0.5000 0.2128 ( 5696 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0767 -38.0767 -38.0767 -38.0767 -38.0736 -38.0736 -38.0736 -38.0736 -37.7997 -37.7997 -37.7971 -37.7971 -37.7956 -37.7956 -37.7944 -37.7944 -37.7773 -37.7773 -37.7760 -37.7760 -37.7745 -37.7745 -37.7717 -37.7717 -2.4752 -2.4752 -2.4752 -2.4752 0.2582 0.2582 0.2595 0.2595 0.6498 0.6498 0.6509 0.6509 2.3934 2.3934 2.3947 2.3947 7.7507 7.7507 7.7512 7.7512 8.3039 8.3039 8.3042 8.3042 10.0140 10.0140 k = 0.2021 0.5000 0.2021 ( 5696 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0768 -38.0768 -38.0767 -38.0767 -38.0736 -38.0736 -38.0735 -38.0735 -37.7997 -37.7997 -37.7972 -37.7972 -37.7956 -37.7956 -37.7944 -37.7944 -37.7773 -37.7773 -37.7761 -37.7761 -37.7744 -37.7744 -37.7718 -37.7718 -2.5255 -2.5255 -2.5254 -2.5254 0.3087 0.3087 0.3101 0.3101 0.6929 0.6929 0.6941 0.6941 2.4375 2.4375 2.4388 2.4388 7.6483 7.6483 7.6489 7.6489 8.2769 8.2769 8.2770 8.2770 9.9636 9.9636 k = 0.1915 0.5000 0.1915 ( 5690 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1316 -71.1316 -71.1316 -71.1316 -38.0768 -38.0768 -38.0768 -38.0768 -38.0735 -38.0735 -38.0734 -38.0734 -37.7996 -37.7996 -37.7972 -37.7972 -37.7956 -37.7956 -37.7943 -37.7943 -37.7773 -37.7773 -37.7761 -37.7761 -37.7743 -37.7743 -37.7719 -37.7719 -2.5732 -2.5732 -2.5732 -2.5732 0.3602 0.3602 0.3616 0.3616 0.7363 0.7363 0.7377 0.7377 2.4742 2.4742 2.4756 2.4756 7.5471 7.5471 7.5478 7.5478 8.2585 8.2585 8.2586 8.2586 9.9159 9.9159 k = 0.1809 0.5000 0.1809 ( 5694 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0769 -38.0769 -38.0769 -38.0769 -38.0734 -38.0734 -38.0733 -38.0733 -37.7996 -37.7996 -37.7973 -37.7973 -37.7955 -37.7955 -37.7943 -37.7943 -37.7774 -37.7774 -37.7762 -37.7762 -37.7742 -37.7742 -37.7719 -37.7719 -2.6185 -2.6185 -2.6184 -2.6184 0.4123 0.4123 0.4138 0.4138 0.7799 0.7799 0.7813 0.7813 2.5036 2.5036 2.5049 2.5049 7.4476 7.4476 7.4483 7.4483 8.2484 8.2484 8.2486 8.2486 9.8710 9.8710 k = 0.1702 0.5000 0.1702 ( 5680 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0770 -38.0770 -38.0769 -38.0769 -38.0733 -38.0733 -38.0733 -38.0733 -37.7995 -37.7995 -37.7974 -37.7974 -37.7955 -37.7955 -37.7943 -37.7943 -37.7774 -37.7774 -37.7762 -37.7762 -37.7741 -37.7741 -37.7720 -37.7720 -2.6612 -2.6612 -2.6612 -2.6612 0.4649 0.4649 0.4665 0.4665 0.8234 0.8234 0.8250 0.8250 2.5256 2.5256 2.5270 2.5270 7.3505 7.3505 7.3513 7.3513 8.2462 8.2462 8.2466 8.2466 9.8286 9.8286 k = 0.1596 0.5000 0.1596 ( 5680 PWs) bands (ev): -71.1321 -71.1321 -71.1321 -71.1321 -71.1315 -71.1315 -71.1315 -71.1315 -38.0770 -38.0770 -38.0770 -38.0770 -38.0732 -38.0732 -38.0732 -38.0732 -37.7994 -37.7994 -37.7975 -37.7975 -37.7954 -37.7954 -37.7943 -37.7943 -37.7774 -37.7774 -37.7763 -37.7763 -37.7740 -37.7740 -37.7720 -37.7720 -2.7015 -2.7015 -2.7014 -2.7014 0.5177 0.5177 0.5194 0.5194 0.8667 0.8667 0.8684 0.8684 2.5404 2.5404 2.5418 2.5418 7.2562 7.2562 7.2570 7.2570 8.2514 8.2514 8.2520 8.2520 9.7889 9.7889 k = 0.1489 0.5000 0.1489 ( 5690 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0771 -38.0771 -38.0770 -38.0770 -38.0732 -38.0732 -38.0731 -38.0731 -37.7994 -37.7994 -37.7976 -37.7976 -37.7954 -37.7954 -37.7943 -37.7943 -37.7774 -37.7774 -37.7763 -37.7763 -37.7740 -37.7740 -37.7721 -37.7721 -2.7392 -2.7392 -2.7391 -2.7391 0.5705 0.5705 0.5723 0.5723 0.9096 0.9096 0.9115 0.9115 2.5482 2.5482 2.5497 2.5497 7.1654 7.1654 7.1662 7.1662 8.2633 8.2633 8.2640 8.2640 9.7517 9.7517 k = 0.1383 0.5000 0.1383 ( 5682 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0771 -38.0771 -38.0771 -38.0771 -38.0731 -38.0731 -38.0731 -38.0731 -37.7993 -37.7993 -37.7977 -37.7977 -37.7953 -37.7953 -37.7942 -37.7942 -37.7775 -37.7775 -37.7764 -37.7764 -37.7739 -37.7739 -37.7722 -37.7722 -2.7743 -2.7743 -2.7743 -2.7743 0.6229 0.6229 0.6248 0.6248 0.9520 0.9520 0.9540 0.9540 2.5496 2.5496 2.5511 2.5511 7.0784 7.0784 7.0792 7.0792 8.2811 8.2811 8.2820 8.2820 9.7171 9.7171 k = 0.1277 0.5000 0.1277 ( 5686 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0772 -38.0772 -38.0772 -38.0772 -38.0730 -38.0730 -38.0730 -38.0730 -37.7993 -37.7993 -37.7978 -37.7978 -37.7952 -37.7952 -37.7942 -37.7942 -37.7775 -37.7775 -37.7764 -37.7764 -37.7738 -37.7738 -37.7722 -37.7722 -2.8069 -2.8069 -2.8068 -2.8068 0.6745 0.6745 0.6765 0.6765 0.9937 0.9937 0.9959 0.9959 2.5450 2.5450 2.5464 2.5464 6.9956 6.9956 6.9965 6.9965 8.3039 8.3039 8.3049 8.3049 9.6850 9.6850 k = 0.1170 0.5000 0.1170 ( 5682 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0772 -38.0772 -38.0772 -38.0772 -38.0730 -38.0730 -38.0729 -38.0729 -37.7992 -37.7992 -37.7978 -37.7978 -37.7952 -37.7952 -37.7942 -37.7942 -37.7775 -37.7775 -37.7765 -37.7765 -37.7737 -37.7737 -37.7722 -37.7722 -2.8369 -2.8369 -2.8369 -2.8369 0.7249 0.7249 0.7269 0.7269 1.0345 1.0345 1.0368 1.0368 2.5349 2.5349 2.5364 2.5364 6.9177 6.9177 6.9185 6.9185 8.3306 8.3306 8.3317 8.3317 9.6553 9.6553 k = 0.1064 0.5000 0.1064 ( 5690 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0773 -38.0773 -38.0773 -38.0773 -38.0729 -38.0729 -38.0729 -38.0729 -37.7992 -37.7992 -37.7979 -37.7979 -37.7951 -37.7951 -37.7942 -37.7942 -37.7775 -37.7775 -37.7766 -37.7766 -37.7736 -37.7736 -37.7723 -37.7723 -2.8643 -2.8643 -2.8643 -2.8643 0.7736 0.7736 0.7756 0.7756 1.0743 1.0743 1.0767 1.0767 2.5202 2.5202 2.5217 2.5217 6.8449 6.8449 6.8456 6.8456 8.3601 8.3601 8.3614 8.3614 9.6281 9.6281 k = 0.0957 0.5000 0.0957 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1315 -71.1315 -71.1315 -71.1315 -38.0774 -38.0774 -38.0773 -38.0773 -38.0729 -38.0729 -38.0729 -38.0729 -37.7992 -37.7992 -37.7980 -37.7980 -37.7951 -37.7951 -37.7943 -37.7943 -37.7775 -37.7775 -37.7767 -37.7767 -37.7735 -37.7735 -37.7724 -37.7724 -2.8891 -2.8891 -2.8891 -2.8891 0.8200 0.8200 0.8221 0.8221 1.1128 1.1128 1.1154 1.1154 2.5017 2.5017 2.5031 2.5031 6.7776 6.7776 6.7783 6.7783 8.3914 8.3914 8.3927 8.3927 9.6035 9.6035 k = 0.0851 0.5000 0.0851 ( 5694 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0774 -38.0774 -38.0774 -38.0774 -38.0728 -38.0728 -38.0728 -38.0728 -37.7991 -37.7991 -37.7981 -37.7981 -37.7950 -37.7950 -37.7943 -37.7943 -37.7775 -37.7775 -37.7767 -37.7767 -37.7734 -37.7734 -37.7724 -37.7724 -2.9114 -2.9114 -2.9114 -2.9114 0.8635 0.8635 0.8656 0.8656 1.1500 1.1500 1.1525 1.1525 2.4803 2.4803 2.4816 2.4816 6.7163 6.7163 6.7169 6.7169 8.4232 8.4232 8.4245 8.4245 9.5813 9.5813 k = 0.0745 0.5000 0.0745 ( 5674 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0774 -38.0774 -38.0774 -38.0774 -38.0727 -38.0727 -38.0727 -38.0727 -37.7990 -37.7990 -37.7982 -37.7982 -37.7949 -37.7949 -37.7943 -37.7943 -37.7774 -37.7774 -37.7768 -37.7768 -37.7733 -37.7733 -37.7724 -37.7724 -2.9310 -2.9310 -2.9310 -2.9310 0.9036 0.9036 0.9056 0.9056 1.1853 1.1853 1.1879 1.1879 2.4570 2.4570 2.4583 2.4583 6.6612 6.6612 6.6618 6.6618 8.4544 8.4544 8.4557 8.4557 9.5617 9.5617 k = 0.0638 0.5000 0.0638 ( 5686 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7990 -37.7990 -37.7983 -37.7983 -37.7949 -37.7949 -37.7943 -37.7943 -37.7774 -37.7774 -37.7769 -37.7769 -37.7732 -37.7732 -37.7725 -37.7725 -2.9480 -2.9480 -2.9480 -2.9480 0.9395 0.9395 0.9414 0.9414 1.2185 1.2185 1.2209 1.2209 2.4329 2.4329 2.4341 2.4341 6.6127 6.6127 6.6133 6.6133 8.4838 8.4838 8.4852 8.4852 9.5445 9.5445 k = 0.0532 0.5000 0.0532 ( 5686 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0726 -38.0726 -37.7990 -37.7990 -37.7984 -37.7984 -37.7948 -37.7948 -37.7943 -37.7943 -37.7774 -37.7774 -37.7769 -37.7769 -37.7731 -37.7731 -37.7725 -37.7725 -2.9625 -2.9625 -2.9625 -2.9625 0.9709 0.9709 0.9726 0.9726 1.2489 1.2489 1.2511 1.2511 2.4094 2.4094 2.4105 2.4105 6.5712 6.5712 6.5717 6.5717 8.5107 8.5107 8.5119 8.5119 9.5300 9.5300 k = 0.0426 0.5000 0.0426 ( 5682 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0726 -38.0726 -38.0726 -38.0726 -37.7989 -37.7989 -37.7984 -37.7984 -37.7947 -37.7947 -37.7943 -37.7943 -37.7774 -37.7774 -37.7770 -37.7770 -37.7731 -37.7731 -37.7725 -37.7725 -2.9743 -2.9743 -2.9743 -2.9743 0.9972 0.9972 0.9986 0.9986 1.2757 1.2757 1.2776 1.2776 2.3876 2.3876 2.3885 2.3885 6.5369 6.5369 6.5372 6.5372 8.5339 8.5339 8.5350 8.5350 9.5180 9.5180 k = 0.0319 0.5000 0.0319 ( 5690 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0776 -38.0776 -38.0775 -38.0775 -38.0726 -38.0726 -38.0726 -38.0726 -37.7989 -37.7989 -37.7985 -37.7985 -37.7947 -37.7947 -37.7944 -37.7944 -37.7773 -37.7773 -37.7770 -37.7770 -37.7730 -37.7730 -37.7726 -37.7726 -2.9835 -2.9835 -2.9834 -2.9834 1.0180 1.0180 1.0191 1.0191 1.2981 1.2981 1.2996 1.2996 2.3689 2.3689 2.3696 2.3696 6.5099 6.5099 6.5102 6.5102 8.5528 8.5528 8.5536 8.5536 9.5087 9.5087 k = 0.0213 0.5000 0.0213 ( 5694 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0726 -38.0726 -38.0726 -38.0726 -37.7988 -37.7988 -37.7986 -37.7986 -37.7946 -37.7946 -37.7944 -37.7944 -37.7773 -37.7773 -37.7771 -37.7771 -37.7729 -37.7729 -37.7727 -37.7727 -2.9900 -2.9900 -2.9900 -2.9900 1.0331 1.0331 1.0338 1.0338 1.3151 1.3151 1.3161 1.3161 2.3544 2.3544 2.3549 2.3549 6.4905 6.4905 6.4907 6.4907 8.5668 8.5668 8.5674 8.5674 9.5021 9.5021 k = 0.0106 0.5000 0.0106 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7986 -37.7986 -37.7946 -37.7946 -37.7945 -37.7945 -37.7773 -37.7773 -37.7772 -37.7772 -37.7729 -37.7729 -37.7728 -37.7728 -2.9940 -2.9940 -2.9940 -2.9940 1.0423 1.0423 1.0427 1.0427 1.3258 1.3258 1.3263 1.3263 2.3454 2.3454 2.3456 2.3456 6.4789 6.4789 6.4790 6.4790 8.5754 8.5754 8.5757 8.5757 9.4981 9.4981 k = 0.0000 0.5000-0.0000 ( 5702 PWs) bands (ev): -71.1322 -71.1322 -71.1322 -71.1322 -71.1314 -71.1314 -71.1314 -71.1314 -38.0775 -38.0775 -38.0775 -38.0775 -38.0727 -38.0727 -38.0727 -38.0727 -37.7987 -37.7987 -37.7987 -37.7987 -37.7946 -37.7946 -37.7946 -37.7946 -37.7772 -37.7772 -37.7772 -37.7772 -37.7728 -37.7728 -37.7728 -37.7728 -2.9953 -2.9953 -2.9953 -2.9953 1.0455 1.0455 1.0455 1.0455 1.3296 1.3296 1.3296 1.3296 2.3424 2.3424 2.3424 2.3424 6.4750 6.4750 6.4750 6.4750 8.5784 8.5784 8.5784 8.5784 9.4969 9.4969 k = 0.5000 0.5000-0.0000 ( 5712 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7984 -37.7984 -37.7984 -37.7984 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7733 -37.7733 -37.7733 -37.7733 -1.5918 -1.5918 -1.5918 -1.5918 -1.5917 -1.5917 -1.5917 -1.5917 2.0406 2.0406 2.0406 2.0406 2.0422 2.0422 2.0422 2.0422 7.6631 7.6631 7.6631 7.6631 7.6664 7.6664 7.6664 7.6664 11.0501 11.0502 k = 0.5000 0.5000 0.0152 ( 5704 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7985 -37.7985 -37.7982 -37.7982 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7734 -37.7734 -37.7731 -37.7731 -1.5905 -1.5905 -1.5905 -1.5905 -1.5905 -1.5905 -1.5905 -1.5905 2.0364 2.0364 2.0365 2.0365 2.0381 2.0381 2.0381 2.0381 7.6685 7.6685 7.6686 7.6686 7.6718 7.6718 7.6718 7.6718 11.0515 11.0516 k = 0.5000 0.5000 0.0303 ( 5688 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7986 -37.7986 -37.7981 -37.7981 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7735 -37.7735 -37.7730 -37.7730 -1.5868 -1.5868 -1.5867 -1.5867 -1.5867 -1.5867 -1.5867 -1.5867 2.0241 2.0241 2.0242 2.0242 2.0257 2.0257 2.0258 2.0258 7.6845 7.6845 7.6847 7.6847 7.6878 7.6878 7.6879 7.6879 11.0559 11.0560 k = 0.5000 0.5000 0.0455 ( 5712 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7988 -37.7988 -37.7980 -37.7980 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7737 -37.7737 -37.7728 -37.7728 -1.5805 -1.5805 -1.5805 -1.5805 -1.5805 -1.5805 -1.5804 -1.5804 2.0037 2.0037 2.0038 2.0038 2.0053 2.0053 2.0054 2.0054 7.7109 7.7109 7.7112 7.7112 7.7142 7.7142 7.7143 7.7143 11.0634 11.0639 k = 0.5000 0.5000 0.0606 ( 5716 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7989 -37.7989 -37.7978 -37.7978 -37.7950 -37.7950 -37.7950 -37.7950 -37.7767 -37.7767 -37.7767 -37.7767 -37.7738 -37.7738 -37.7727 -37.7727 -1.5718 -1.5718 -1.5717 -1.5717 -1.5717 -1.5717 -1.5717 -1.5717 1.9755 1.9755 1.9758 1.9758 1.9772 1.9772 1.9773 1.9773 7.7474 7.7474 7.7479 7.7479 7.7507 7.7507 7.7509 7.7509 11.0737 11.0738 k = 0.5000 0.5000 0.0758 ( 5720 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7991 -37.7991 -37.7977 -37.7977 -37.7951 -37.7951 -37.7951 -37.7951 -37.7767 -37.7767 -37.7767 -37.7767 -37.7740 -37.7740 -37.7726 -37.7726 -1.5606 -1.5606 -1.5605 -1.5605 -1.5604 -1.5604 -1.5604 -1.5604 1.9400 1.9400 1.9403 1.9403 1.9417 1.9417 1.9417 1.9417 7.7936 7.7936 7.7942 7.7942 7.7969 7.7969 7.7972 7.7972 11.0871 11.0873 k = 0.5000 0.5000 0.0909 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0752 -38.0752 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7992 -37.7992 -37.7976 -37.7976 -37.7951 -37.7951 -37.7951 -37.7951 -37.7766 -37.7766 -37.7766 -37.7766 -37.7741 -37.7741 -37.7724 -37.7724 -1.5468 -1.5468 -1.5467 -1.5467 -1.5467 -1.5467 -1.5467 -1.5467 1.8976 1.8976 1.8979 1.8979 1.8992 1.8992 1.8993 1.8993 7.8490 7.8490 7.8497 7.8497 7.8523 7.8523 7.8525 7.8525 11.1035 11.1044 k = 0.5000 0.5000 0.1061 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7993 -37.7993 -37.7974 -37.7974 -37.7951 -37.7951 -37.7951 -37.7951 -37.7766 -37.7766 -37.7766 -37.7766 -37.7742 -37.7742 -37.7722 -37.7722 -1.5306 -1.5306 -1.5305 -1.5305 -1.5305 -1.5305 -1.5305 -1.5305 1.8487 1.8487 1.8490 1.8490 1.8502 1.8502 1.8503 1.8503 7.9128 7.9128 7.9136 7.9136 7.9160 7.9160 7.9163 7.9163 11.1229 11.1229 k = 0.5000 0.5000 0.1212 ( 5704 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7995 -37.7995 -37.7973 -37.7973 -37.7951 -37.7951 -37.7951 -37.7951 -37.7766 -37.7766 -37.7766 -37.7766 -37.7743 -37.7743 -37.7721 -37.7721 -1.5120 -1.5120 -1.5118 -1.5118 -1.5118 -1.5118 -1.5118 -1.5118 1.7939 1.7939 1.7943 1.7943 1.7954 1.7954 1.7955 1.7955 7.9844 7.9844 7.9853 7.9853 7.9876 7.9876 7.9879 7.9879 11.1451 11.1452 k = 0.5000 0.5000 0.1364 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7996 -37.7996 -37.7972 -37.7972 -37.7951 -37.7951 -37.7951 -37.7951 -37.7765 -37.7765 -37.7765 -37.7765 -37.7744 -37.7744 -37.7720 -37.7720 -1.4909 -1.4909 -1.4907 -1.4907 -1.4907 -1.4907 -1.4906 -1.4906 1.7337 1.7337 1.7341 1.7341 1.7352 1.7352 1.7353 1.7353 8.0630 8.0630 8.0640 8.0640 8.0661 8.0661 8.0664 8.0664 11.1703 11.1703 k = 0.5000 0.5000 0.1515 ( 5700 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0751 -38.0751 -38.0751 -38.0751 -37.7997 -37.7997 -37.7971 -37.7971 -37.7952 -37.7952 -37.7952 -37.7952 -37.7765 -37.7765 -37.7765 -37.7765 -37.7745 -37.7745 -37.7718 -37.7718 -1.4673 -1.4673 -1.4671 -1.4671 -1.4671 -1.4671 -1.4670 -1.4670 1.6687 1.6687 1.6692 1.6692 1.6702 1.6702 1.6703 1.6703 8.1478 8.1478 8.1489 8.1489 8.1508 8.1508 8.1512 8.1512 11.1982 11.1983 k = 0.5000 0.5000 0.1667 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.7999 -37.7999 -37.7970 -37.7970 -37.7952 -37.7952 -37.7952 -37.7952 -37.7765 -37.7765 -37.7765 -37.7765 -37.7746 -37.7746 -37.7717 -37.7717 -1.4413 -1.4413 -1.4411 -1.4411 -1.4410 -1.4410 -1.4410 -1.4410 1.5995 1.5995 1.6000 1.6000 1.6009 1.6009 1.6010 1.6010 8.2380 8.2380 8.2392 8.2392 8.2409 8.2409 8.2413 8.2413 11.2288 11.2289 k = 0.5000 0.5000 0.1818 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8000 -37.8000 -37.7969 -37.7969 -37.7953 -37.7953 -37.7953 -37.7953 -37.7764 -37.7764 -37.7764 -37.7764 -37.7747 -37.7747 -37.7715 -37.7715 -1.4129 -1.4129 -1.4126 -1.4126 -1.4126 -1.4126 -1.4126 -1.4126 1.5266 1.5266 1.5271 1.5271 1.5280 1.5280 1.5281 1.5281 8.3327 8.3327 8.3340 8.3340 8.3356 8.3356 8.3360 8.3360 11.2621 11.2621 k = 0.5000 0.5000 0.1970 ( 5704 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8001 -37.8001 -37.7968 -37.7968 -37.7953 -37.7953 -37.7953 -37.7953 -37.7764 -37.7764 -37.7764 -37.7764 -37.7748 -37.7748 -37.7714 -37.7714 -1.3821 -1.3821 -1.3818 -1.3818 -1.3818 -1.3818 -1.3817 -1.3817 1.4506 1.4506 1.4511 1.4511 1.4518 1.4518 1.4520 1.4520 8.4312 8.4312 8.4325 8.4325 8.4339 8.4339 8.4344 8.4344 11.2977 11.2977 k = 0.5000 0.5000 0.2121 ( 5692 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8002 -37.8002 -37.7967 -37.7967 -37.7953 -37.7953 -37.7953 -37.7953 -37.7763 -37.7763 -37.7763 -37.7763 -37.7749 -37.7749 -37.7713 -37.7713 -1.3489 -1.3489 -1.3486 -1.3486 -1.3486 -1.3486 -1.3485 -1.3485 1.3718 1.3718 1.3724 1.3724 1.3731 1.3731 1.3732 1.3732 8.5324 8.5324 8.5338 8.5338 8.5351 8.5351 8.5355 8.5355 11.3354 11.3354 k = 0.5000 0.5000 0.2273 ( 5700 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8003 -37.8003 -37.7966 -37.7966 -37.7954 -37.7954 -37.7954 -37.7954 -37.7763 -37.7763 -37.7763 -37.7763 -37.7750 -37.7750 -37.7712 -37.7712 -1.3134 -1.3134 -1.3131 -1.3131 -1.3131 -1.3131 -1.3130 -1.3130 1.2908 1.2908 1.2914 1.2914 1.2920 1.2920 1.2921 1.2921 8.6357 8.6357 8.6371 8.6371 8.6383 8.6383 8.6387 8.6387 11.3751 11.3751 k = 0.5000 0.5000 0.2424 ( 5716 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8004 -37.8004 -37.7965 -37.7965 -37.7954 -37.7954 -37.7954 -37.7954 -37.7763 -37.7763 -37.7763 -37.7763 -37.7751 -37.7751 -37.7711 -37.7711 -1.2757 -1.2757 -1.2753 -1.2753 -1.2753 -1.2753 -1.2752 -1.2752 1.2081 1.2081 1.2086 1.2086 1.2092 1.2092 1.2093 1.2093 8.7401 8.7401 8.7415 8.7415 8.7425 8.7425 8.7429 8.7429 11.4162 11.4162 k = 0.5000 0.5000 0.2576 ( 5716 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8006 -37.8006 -37.7965 -37.7965 -37.7955 -37.7955 -37.7955 -37.7955 -37.7762 -37.7762 -37.7762 -37.7762 -37.7752 -37.7752 -37.7709 -37.7709 -1.2356 -1.2356 -1.2352 -1.2352 -1.2352 -1.2352 -1.2351 -1.2351 1.1239 1.1239 1.1245 1.1245 1.1250 1.1250 1.1251 1.1251 8.8447 8.8447 8.8462 8.8462 8.8470 8.8470 8.8474 8.8474 11.4583 11.4583 k = 0.5000 0.5000 0.2727 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8006 -37.8006 -37.7964 -37.7964 -37.7955 -37.7955 -37.7955 -37.7955 -37.7762 -37.7762 -37.7762 -37.7762 -37.7752 -37.7752 -37.7708 -37.7708 -1.1933 -1.1933 -1.1929 -1.1929 -1.1929 -1.1929 -1.1928 -1.1928 1.0388 1.0388 1.0394 1.0394 1.0399 1.0399 1.0400 1.0400 8.9487 8.9487 8.9502 8.9502 8.9509 8.9509 8.9513 8.9513 11.5009 11.5009 k = 0.5000 0.5000 0.2879 ( 5700 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8007 -37.8007 -37.7963 -37.7963 -37.7955 -37.7955 -37.7955 -37.7955 -37.7761 -37.7761 -37.7761 -37.7761 -37.7753 -37.7753 -37.7707 -37.7707 -1.1489 -1.1489 -1.1484 -1.1484 -1.1484 -1.1484 -1.1483 -1.1483 0.9531 0.9531 0.9537 0.9537 0.9541 0.9541 0.9541 0.9541 9.0513 9.0513 9.0528 9.0528 9.0533 9.0533 9.0537 9.0537 11.5433 11.5433 k = 0.5000 0.5000 0.3030 ( 5700 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8008 -37.8008 -37.7962 -37.7962 -37.7955 -37.7955 -37.7955 -37.7955 -37.7761 -37.7761 -37.7761 -37.7761 -37.7754 -37.7754 -37.7706 -37.7706 -1.1023 -1.1023 -1.1019 -1.1019 -1.1018 -1.1018 -1.1017 -1.1017 0.8670 0.8670 0.8676 0.8676 0.8680 0.8680 0.8680 0.8680 9.1516 9.1516 9.1531 9.1531 9.1535 9.1535 9.1538 9.1538 11.5847 11.5847 k = 0.5000 0.5000 0.3182 ( 5708 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8009 -37.8009 -37.7962 -37.7962 -37.7956 -37.7956 -37.7956 -37.7956 -37.7760 -37.7760 -37.7760 -37.7760 -37.7754 -37.7754 -37.7705 -37.7705 -1.0537 -1.0537 -1.0532 -1.0532 -1.0532 -1.0532 -1.0531 -1.0531 0.7810 0.7810 0.7816 0.7816 0.7819 0.7819 0.7820 0.7820 9.2488 9.2488 9.2502 9.2502 9.2505 9.2505 9.2508 9.2508 11.6242 11.6243 k = 0.5000 0.5000 0.3333 ( 5716 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8010 -37.8010 -37.7961 -37.7961 -37.7956 -37.7956 -37.7956 -37.7956 -37.7760 -37.7760 -37.7760 -37.7760 -37.7755 -37.7755 -37.7705 -37.7705 -1.0032 -1.0032 -1.0027 -1.0027 -1.0027 -1.0027 -1.0026 -1.0026 0.6953 0.6953 0.6959 0.6959 0.6962 0.6962 0.6962 0.6962 9.3421 9.3421 9.3434 9.3434 9.3436 9.3436 9.3439 9.3439 11.6612 11.6612 k = 0.5000 0.5000 0.3485 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -37.8011 -37.8011 -37.7961 -37.7961 -37.7957 -37.7957 -37.7957 -37.7957 -37.7760 -37.7760 -37.7760 -37.7760 -37.7756 -37.7756 -37.7704 -37.7704 -0.9510 -0.9510 -0.9504 -0.9504 -0.9504 -0.9504 -0.9503 -0.9503 0.6103 0.6103 0.6109 0.6109 0.6111 0.6111 0.6112 0.6112 9.4307 9.4307 9.4318 9.4318 9.4320 9.4320 9.4322 9.4322 11.6948 11.6949 k = 0.5000 0.5000 0.3636 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0752 -38.0752 -38.0752 -38.0752 -37.8012 -37.8012 -37.7960 -37.7960 -37.7957 -37.7957 -37.7957 -37.7957 -37.7759 -37.7759 -37.7759 -37.7759 -37.7756 -37.7756 -37.7703 -37.7703 -0.8971 -0.8971 -0.8965 -0.8965 -0.8964 -0.8964 -0.8964 -0.8964 0.5264 0.5264 0.5269 0.5269 0.5271 0.5271 0.5271 0.5271 9.5138 9.5138 9.5148 9.5148 9.5149 9.5149 9.5151 9.5151 11.7245 11.7245 k = 0.5000 0.5000 0.3788 ( 5716 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -38.0752 -37.8012 -37.8012 -37.7960 -37.7960 -37.7957 -37.7957 -37.7957 -37.7957 -37.7759 -37.7759 -37.7759 -37.7759 -37.7756 -37.7756 -37.7702 -37.7702 -0.8418 -0.8418 -0.8411 -0.8411 -0.8411 -0.8411 -0.8410 -0.8410 0.4438 0.4438 0.4443 0.4443 0.4444 0.4444 0.4445 0.4445 9.5906 9.5906 9.5915 9.5915 9.5916 9.5916 9.5918 9.5918 11.7499 11.7499 k = 0.5000 0.5000 0.3939 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8013 -37.8013 -37.7960 -37.7960 -37.7958 -37.7958 -37.7958 -37.7958 -37.7759 -37.7759 -37.7759 -37.7759 -37.7757 -37.7757 -37.7702 -37.7702 -0.7854 -0.7854 -0.7847 -0.7847 -0.7847 -0.7847 -0.7846 -0.7846 0.3631 0.3631 0.3635 0.3635 0.3637 0.3637 0.3637 0.3637 9.6606 9.6606 9.6613 9.6613 9.6613 9.6613 9.6615 9.6615 11.7707 11.7707 k = 0.5000 0.5000 0.4091 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8013 -37.8013 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7759 -37.7759 -37.7759 -37.7759 -37.7757 -37.7757 -37.7701 -37.7701 -0.7285 -0.7285 -0.7277 -0.7277 -0.7277 -0.7277 -0.7277 -0.7277 0.2848 0.2848 0.2852 0.2852 0.2854 0.2854 0.2854 0.2854 9.7229 9.7229 9.7235 9.7235 9.7235 9.7235 9.7236 9.7236 11.7872 11.7872 k = 0.5000 0.5000 0.4242 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7757 -37.7757 -37.7701 -37.7701 -0.6718 -0.6718 -0.6710 -0.6710 -0.6710 -0.6710 -0.6709 -0.6709 0.2099 0.2099 0.2103 0.2103 0.2104 0.2104 0.2104 0.2104 9.7770 9.7770 9.7774 9.7774 9.7774 9.7774 9.7775 9.7775 11.7997 11.7997 k = 0.5000 0.5000 0.4394 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7701 -37.7701 -0.6166 -0.6166 -0.6157 -0.6157 -0.6156 -0.6156 -0.6156 -0.6156 0.1397 0.1397 0.1400 0.1400 0.1401 0.1401 0.1401 0.1401 9.8221 9.8221 9.8224 9.8224 9.8224 9.8224 9.8225 9.8225 11.8087 11.8087 k = 0.5000 0.5000 0.4545 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0754 -38.0754 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7958 -37.7958 -37.7958 -37.7958 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5649 -0.5649 -0.5639 -0.5639 -0.5639 -0.5639 -0.5639 -0.5639 0.0764 0.0764 0.0766 0.0766 0.0766 0.0766 0.0766 0.0766 9.8579 9.8579 9.8580 9.8580 9.8581 9.8581 9.8581 9.8581 11.8148 11.8149 k = 0.5000 0.5000 0.4697 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8014 -37.8014 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.5205 -0.5205 -0.5194 -0.5194 -0.5194 -0.5194 -0.5194 -0.5194 0.0235 0.0235 0.0236 0.0236 0.0237 0.0237 0.0237 0.0237 9.8838 9.8838 9.8839 9.8839 9.8839 9.8839 9.8839 9.8839 11.8187 11.8188 k = 0.5000 0.5000 0.4848 ( 5724 PWs) bands (ev): -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -71.1318 -38.0755 -38.0755 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -38.0753 -37.8015 -37.8015 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7959 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7758 -37.7700 -37.7700 -0.4890 -0.4890 -0.4878 -0.4878 -0.4878 -0.4878 -0.4878 -0.4878 -0.0130 -0.0130 -0.0130 -0.0130 -0.0130 -0.0130 -0.0130 -0.0130 9.8995 9.8995 9.8995 9.8995 9.8995 9.8995 9.8995 9.8995 11.8208 11.8208 k = 0.5000 0.5000 0.5000 ( 5832 PWs) bands (ev): -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -71.1319 -38.0756 -38.0756 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -38.0754 -37.8016 -37.8016 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7960 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7759 -37.7701 -37.7701 -0.4775 -0.4775 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.4762 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 -0.0264 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 9.9047 11.8213 11.8213 Writing output data file MgH2.save init_run : 2.75s CPU 2.88s WALL ( 1 calls) electrons : 119.96s CPU 121.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 119.96s CPU 121.76s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 256 calls) cegterg : 111.08s CPU 112.45s WALL ( 292 calls) Called by sum_band: Called by *egterg: h_psi : 56.96s CPU 57.75s WALL ( 4752 calls) s_psi : 1.10s CPU 1.09s WALL ( 4752 calls) g_psi : 0.14s CPU 0.19s WALL ( 4204 calls) cdiaghg : 47.03s CPU 47.76s WALL ( 4460 calls) cegterg:over : 4.62s CPU 4.81s WALL ( 4204 calls) cegterg:upda : 5.22s CPU 5.19s WALL ( 4204 calls) cegterg:last : 1.70s CPU 1.72s WALL ( 570 calls) cdiaghg:chol : 2.57s CPU 2.70s WALL ( 4460 calls) cdiaghg:inve : 1.96s CPU 1.97s WALL ( 4460 calls) cdiaghg:para : 3.30s CPU 3.28s WALL ( 8920 calls) Called by h_psi: h_psi:vloc : 53.51s CPU 54.28s WALL ( 4752 calls) h_psi:vnl : 3.27s CPU 3.26s WALL ( 4752 calls) add_vuspsi : 1.28s CPU 1.26s WALL ( 4752 calls) General routines calbec : 1.98s CPU 1.99s WALL ( 4752 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.91s CPU 50.88s WALL ( 480204 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.26s WALL ( 512 calls) Parallel routines fft_scatter : 16.34s CPU 16.93s WALL ( 480227 calls) PWSCF : 2m18.15s CPU 2m29.21s WALL This run was terminated on: 18:58:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=