Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:32: 8 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: ./BaCO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 62 35 10 2526 1096 170 Max 63 36 11 2532 1114 175 Sum 2233 1285 367 91033 39683 6175 bravais-lattice index = 14 lattice parameter (alat) = 9.9362 a.u. unit-cell volume = 911.2707 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.936179 celldm(2)= 1.000000 celldm(3)= 1.072651 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.072651 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.932270 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5363256 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5363256 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 283 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0035336 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0035336 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035336 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0035336 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0035336 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0035336 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035336 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0035336 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0035336 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0035336 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035336 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0035336 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0035336 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0035336 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0035336 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035336 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0035336 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0035336 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0035336 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0035336 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0035336 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0035336 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0035336 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0035336 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0035336 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0035336 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035336 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0035336 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0035336 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0035336 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0035336 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035336 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0035336 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0035336 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0035336 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0035336 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035336 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0035336 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0035336 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0035336 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0035336 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0035336 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0035336 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0035336 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0035336 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0035336 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0035336 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0035336 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0035336 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0035336 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035336 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0035336 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0035336 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0035336 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0035336 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0035336 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0035336 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0035336 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0035336 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0035336 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035336 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0035336 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0035336 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0035336 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0035336 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0035336 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0035336 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0035336 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0035336 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0035336 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035336 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0035336 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0035336 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0035336 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0035336 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0035336 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0035336 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0035336 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0035336 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0035336 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 100) = ( 0.0000000 0.0000000 0.0166477), wk = 0.0035336 k( 101) = ( 0.0000000 0.0000000 0.0332953), wk = 0.0035336 k( 102) = ( 0.0000000 0.0000000 0.0499430), wk = 0.0035336 k( 103) = ( 0.0000000 0.0000000 0.0665907), wk = 0.0035336 k( 104) = ( 0.0000000 0.0000000 0.0832383), wk = 0.0035336 k( 105) = ( 0.0000000 0.0000000 0.0998860), wk = 0.0035336 k( 106) = ( 0.0000000 0.0000000 0.1165337), wk = 0.0035336 k( 107) = ( 0.0000000 0.0000000 0.1331814), wk = 0.0035336 k( 108) = ( 0.0000000 0.0000000 0.1498290), wk = 0.0035336 k( 109) = ( 0.0000000 0.0000000 0.1664767), wk = 0.0035336 k( 110) = ( 0.0000000 0.0000000 0.1831244), wk = 0.0035336 k( 111) = ( 0.0000000 0.0000000 0.1997720), wk = 0.0035336 k( 112) = ( 0.0000000 0.0000000 0.2164197), wk = 0.0035336 k( 113) = ( 0.0000000 0.0000000 0.2330674), wk = 0.0035336 k( 114) = ( 0.0000000 0.0000000 0.2497150), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.2663627), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.2830104), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.2996581), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.3163057), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.3329534), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.3496011), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.3662487), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.3828964), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.3995441), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.4161917), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.4328394), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.4494871), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.4661348), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.4661348), wk = 0.0035336 k( 129) = ( 0.0142857 0.0082479 0.4661348), wk = 0.0035336 k( 130) = ( 0.0285714 0.0164957 0.4661348), wk = 0.0035336 k( 131) = ( 0.0428571 0.0247436 0.4661348), wk = 0.0035336 k( 132) = ( 0.0571429 0.0329914 0.4661348), wk = 0.0035336 k( 133) = ( 0.0714286 0.0412393 0.4661348), wk = 0.0035336 k( 134) = ( 0.0857143 0.0494872 0.4661348), wk = 0.0035336 k( 135) = ( 0.1000000 0.0577350 0.4661348), wk = 0.0035336 k( 136) = ( 0.1142857 0.0659829 0.4661348), wk = 0.0035336 k( 137) = ( 0.1285714 0.0742307 0.4661348), wk = 0.0035336 k( 138) = ( 0.1428571 0.0824786 0.4661348), wk = 0.0035336 k( 139) = ( 0.1571429 0.0907265 0.4661348), wk = 0.0035336 k( 140) = ( 0.1714286 0.0989743 0.4661348), wk = 0.0035336 k( 141) = ( 0.1857143 0.1072222 0.4661348), wk = 0.0035336 k( 142) = ( 0.2000000 0.1154701 0.4661348), wk = 0.0035336 k( 143) = ( 0.2142857 0.1237179 0.4661348), wk = 0.0035336 k( 144) = ( 0.2285714 0.1319658 0.4661348), wk = 0.0035336 k( 145) = ( 0.2428571 0.1402136 0.4661348), wk = 0.0035336 k( 146) = ( 0.2571429 0.1484615 0.4661348), wk = 0.0035336 k( 147) = ( 0.2714286 0.1567094 0.4661348), wk = 0.0035336 k( 148) = ( 0.2857143 0.1649572 0.4661348), wk = 0.0035336 k( 149) = ( 0.3000000 0.1732051 0.4661348), wk = 0.0035336 k( 150) = ( 0.3142857 0.1814529 0.4661348), wk = 0.0035336 k( 151) = ( 0.3285714 0.1897008 0.4661348), wk = 0.0035336 k( 152) = ( 0.3428571 0.1979487 0.4661348), wk = 0.0035336 k( 153) = ( 0.3571429 0.2061965 0.4661348), wk = 0.0035336 k( 154) = ( 0.3714286 0.2144444 0.4661348), wk = 0.0035336 k( 155) = ( 0.3857143 0.2226922 0.4661348), wk = 0.0035336 k( 156) = ( 0.4000000 0.2309401 0.4661348), wk = 0.0035336 k( 157) = ( 0.4142857 0.2391880 0.4661348), wk = 0.0035336 k( 158) = ( 0.4285714 0.2474358 0.4661348), wk = 0.0035336 k( 159) = ( 0.4428571 0.2556837 0.4661348), wk = 0.0035336 k( 160) = ( 0.4571429 0.2639316 0.4661348), wk = 0.0035336 k( 161) = ( 0.4714286 0.2721794 0.4661348), wk = 0.0035336 k( 162) = ( 0.4857143 0.2804273 0.4661348), wk = 0.0035336 k( 163) = ( 0.5000000 0.2886751 0.4661348), wk = 0.0035336 k( 164) = ( 0.5000000 0.2886751 0.4661348), wk = 0.0035336 k( 165) = ( 0.4916667 0.3031089 0.4661348), wk = 0.0035336 k( 166) = ( 0.4833333 0.3175426 0.4661348), wk = 0.0035336 k( 167) = ( 0.4750000 0.3319764 0.4661348), wk = 0.0035336 k( 168) = ( 0.4666667 0.3464102 0.4661348), wk = 0.0035336 k( 169) = ( 0.4583333 0.3608439 0.4661348), wk = 0.0035336 k( 170) = ( 0.4500000 0.3752777 0.4661348), wk = 0.0035336 k( 171) = ( 0.4416667 0.3897114 0.4661348), wk = 0.0035336 k( 172) = ( 0.4333333 0.4041452 0.4661348), wk = 0.0035336 k( 173) = ( 0.4250000 0.4185789 0.4661348), wk = 0.0035336 k( 174) = ( 0.4166667 0.4330127 0.4661348), wk = 0.0035336 k( 175) = ( 0.4083333 0.4474465 0.4661348), wk = 0.0035336 k( 176) = ( 0.4000000 0.4618802 0.4661348), wk = 0.0035336 k( 177) = ( 0.3916667 0.4763140 0.4661348), wk = 0.0035336 k( 178) = ( 0.3833333 0.4907477 0.4661348), wk = 0.0035336 k( 179) = ( 0.3750000 0.5051815 0.4661348), wk = 0.0035336 k( 180) = ( 0.3666667 0.5196152 0.4661348), wk = 0.0035336 k( 181) = ( 0.3583333 0.5340490 0.4661348), wk = 0.0035336 k( 182) = ( 0.3500000 0.5484828 0.4661348), wk = 0.0035336 k( 183) = ( 0.3416667 0.5629165 0.4661348), wk = 0.0035336 k( 184) = ( 0.3333333 0.5773503 0.4661348), wk = 0.0035336 k( 185) = ( 0.3333333 0.5773503 0.4661348), wk = 0.0035336 k( 186) = ( 0.3250000 0.5629165 0.4661348), wk = 0.0035336 k( 187) = ( 0.3166667 0.5484828 0.4661348), wk = 0.0035336 k( 188) = ( 0.3083333 0.5340490 0.4661348), wk = 0.0035336 k( 189) = ( 0.3000000 0.5196152 0.4661348), wk = 0.0035336 k( 190) = ( 0.2916667 0.5051815 0.4661348), wk = 0.0035336 k( 191) = ( 0.2833333 0.4907477 0.4661348), wk = 0.0035336 k( 192) = ( 0.2750000 0.4763140 0.4661348), wk = 0.0035336 k( 193) = ( 0.2666667 0.4618802 0.4661348), wk = 0.0035336 k( 194) = ( 0.2583333 0.4474465 0.4661348), wk = 0.0035336 k( 195) = ( 0.2500000 0.4330127 0.4661348), wk = 0.0035336 k( 196) = ( 0.2416667 0.4185790 0.4661348), wk = 0.0035336 k( 197) = ( 0.2333333 0.4041452 0.4661348), wk = 0.0035336 k( 198) = ( 0.2250000 0.3897114 0.4661348), wk = 0.0035336 k( 199) = ( 0.2166667 0.3752777 0.4661348), wk = 0.0035336 k( 200) = ( 0.2083333 0.3608439 0.4661348), wk = 0.0035336 k( 201) = ( 0.2000000 0.3464102 0.4661348), wk = 0.0035336 k( 202) = ( 0.1916667 0.3319764 0.4661348), wk = 0.0035336 k( 203) = ( 0.1833333 0.3175426 0.4661348), wk = 0.0035336 k( 204) = ( 0.1750000 0.3031089 0.4661348), wk = 0.0035336 k( 205) = ( 0.1666667 0.2886751 0.4661348), wk = 0.0035336 k( 206) = ( 0.1583333 0.2742414 0.4661348), wk = 0.0035336 k( 207) = ( 0.1500000 0.2598076 0.4661348), wk = 0.0035336 k( 208) = ( 0.1416667 0.2453739 0.4661348), wk = 0.0035336 k( 209) = ( 0.1333333 0.2309401 0.4661348), wk = 0.0035336 k( 210) = ( 0.1250000 0.2165064 0.4661348), wk = 0.0035336 k( 211) = ( 0.1166667 0.2020726 0.4661348), wk = 0.0035336 k( 212) = ( 0.1083333 0.1876388 0.4661348), wk = 0.0035336 k( 213) = ( 0.1000000 0.1732051 0.4661348), wk = 0.0035336 k( 214) = ( 0.0916667 0.1587713 0.4661348), wk = 0.0035336 k( 215) = ( 0.0833333 0.1443376 0.4661348), wk = 0.0035336 k( 216) = ( 0.0750000 0.1299038 0.4661348), wk = 0.0035336 k( 217) = ( 0.0666667 0.1154701 0.4661348), wk = 0.0035336 k( 218) = ( 0.0583333 0.1010363 0.4661348), wk = 0.0035336 k( 219) = ( 0.0500000 0.0866025 0.4661348), wk = 0.0035336 k( 220) = ( 0.0416667 0.0721688 0.4661348), wk = 0.0035336 k( 221) = ( 0.0333333 0.0577350 0.4661348), wk = 0.0035336 k( 222) = ( 0.0250000 0.0433013 0.4661348), wk = 0.0035336 k( 223) = ( 0.0166667 0.0288675 0.4661348), wk = 0.0035336 k( 224) = ( 0.0083333 0.0144338 0.4661348), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.4661348), wk = 0.0035336 k( 226) = ( 0.5000000 0.2886751 0.4661348), wk = 0.0035336 k( 227) = ( 0.5000000 0.2886751 0.4494871), wk = 0.0035336 k( 228) = ( 0.5000000 0.2886751 0.4328394), wk = 0.0035336 k( 229) = ( 0.5000000 0.2886751 0.4161917), wk = 0.0035336 k( 230) = ( 0.5000000 0.2886751 0.3995441), wk = 0.0035336 k( 231) = ( 0.5000000 0.2886751 0.3828964), wk = 0.0035336 k( 232) = ( 0.5000000 0.2886751 0.3662487), wk = 0.0035336 k( 233) = ( 0.5000000 0.2886751 0.3496011), wk = 0.0035336 k( 234) = ( 0.5000000 0.2886751 0.3329534), wk = 0.0035336 k( 235) = ( 0.5000000 0.2886751 0.3163057), wk = 0.0035336 k( 236) = ( 0.5000000 0.2886751 0.2996581), wk = 0.0035336 k( 237) = ( 0.5000000 0.2886751 0.2830104), wk = 0.0035336 k( 238) = ( 0.5000000 0.2886751 0.2663627), wk = 0.0035336 k( 239) = ( 0.5000000 0.2886751 0.2497150), wk = 0.0035336 k( 240) = ( 0.5000000 0.2886751 0.2330674), wk = 0.0035336 k( 241) = ( 0.5000000 0.2886751 0.2164197), wk = 0.0035336 k( 242) = ( 0.5000000 0.2886751 0.1997720), wk = 0.0035336 k( 243) = ( 0.5000000 0.2886751 0.1831244), wk = 0.0035336 k( 244) = ( 0.5000000 0.2886751 0.1664767), wk = 0.0035336 k( 245) = ( 0.5000000 0.2886751 0.1498290), wk = 0.0035336 k( 246) = ( 0.5000000 0.2886751 0.1331814), wk = 0.0035336 k( 247) = ( 0.5000000 0.2886751 0.1165337), wk = 0.0035336 k( 248) = ( 0.5000000 0.2886751 0.0998860), wk = 0.0035336 k( 249) = ( 0.5000000 0.2886751 0.0832383), wk = 0.0035336 k( 250) = ( 0.5000000 0.2886751 0.0665907), wk = 0.0035336 k( 251) = ( 0.5000000 0.2886751 0.0499430), wk = 0.0035336 k( 252) = ( 0.5000000 0.2886751 0.0332953), wk = 0.0035336 k( 253) = ( 0.5000000 0.2886751 0.0166477), wk = 0.0035336 k( 254) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035336 k( 255) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035336 k( 256) = ( 0.3333333 0.5773503 0.0166477), wk = 0.0035336 k( 257) = ( 0.3333333 0.5773503 0.0332953), wk = 0.0035336 k( 258) = ( 0.3333333 0.5773503 0.0499430), wk = 0.0035336 k( 259) = ( 0.3333333 0.5773503 0.0665907), wk = 0.0035336 k( 260) = ( 0.3333333 0.5773503 0.0832383), wk = 0.0035336 k( 261) = ( 0.3333333 0.5773503 0.0998860), wk = 0.0035336 k( 262) = ( 0.3333333 0.5773503 0.1165337), wk = 0.0035336 k( 263) = ( 0.3333333 0.5773503 0.1331814), wk = 0.0035336 k( 264) = ( 0.3333333 0.5773503 0.1498290), wk = 0.0035336 k( 265) = ( 0.3333333 0.5773503 0.1664767), wk = 0.0035336 k( 266) = ( 0.3333333 0.5773503 0.1831244), wk = 0.0035336 k( 267) = ( 0.3333333 0.5773503 0.1997720), wk = 0.0035336 k( 268) = ( 0.3333333 0.5773503 0.2164197), wk = 0.0035336 k( 269) = ( 0.3333333 0.5773503 0.2330674), wk = 0.0035336 k( 270) = ( 0.3333333 0.5773503 0.2497150), wk = 0.0035336 k( 271) = ( 0.3333333 0.5773503 0.2663627), wk = 0.0035336 k( 272) = ( 0.3333333 0.5773503 0.2830104), wk = 0.0035336 k( 273) = ( 0.3333333 0.5773503 0.2996581), wk = 0.0035336 k( 274) = ( 0.3333333 0.5773503 0.3163057), wk = 0.0035336 k( 275) = ( 0.3333333 0.5773503 0.3329534), wk = 0.0035336 k( 276) = ( 0.3333333 0.5773503 0.3496011), wk = 0.0035336 k( 277) = ( 0.3333333 0.5773503 0.3662487), wk = 0.0035336 k( 278) = ( 0.3333333 0.5773503 0.3828964), wk = 0.0035336 k( 279) = ( 0.3333333 0.5773503 0.3995441), wk = 0.0035336 k( 280) = ( 0.3333333 0.5773503 0.4161917), wk = 0.0035336 k( 281) = ( 0.3333333 0.5773503 0.4328394), wk = 0.0035336 k( 282) = ( 0.3333333 0.5773503 0.4494871), wk = 0.0035336 k( 283) = ( 0.3333333 0.5773503 0.4661348), wk = 0.0035336 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 4) = ( 0.0428571 -0.0000000 0.0000000), wk = 0.0035336 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0035336 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0035336 k( 7) = ( 0.0857143 -0.0000000 0.0000000), wk = 0.0035336 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0035336 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0035336 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0035336 k( 14) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0035336 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 16) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0035336 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0035336 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0035336 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0035336 k( 22) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0035336 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0035336 k( 27) = ( 0.3714286 -0.0000000 -0.0000000), wk = 0.0035336 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0035336 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0035336 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0035336 k( 32) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0035336 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0035336 k( 34) = ( 0.4714286 -0.0000000 0.0000000), wk = 0.0035336 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0035336 k( 36) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 38) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0035336 k( 39) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0035336 k( 40) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0035336 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0035336 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0035336 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0035336 k( 44) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0035336 k( 45) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0035336 k( 46) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0035336 k( 47) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0035336 k( 48) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0035336 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0035336 k( 50) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0035336 k( 51) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0035336 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0035336 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0035336 k( 54) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0035336 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0035336 k( 56) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0035336 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035336 k( 58) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035336 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0035336 k( 60) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0035336 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0035336 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0035336 k( 63) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0035336 k( 64) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0035336 k( 65) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0035336 k( 66) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0035336 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0035336 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035336 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0035336 k( 70) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0035336 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0035336 k( 72) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0035336 k( 73) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0035336 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0035336 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0035336 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0035336 k( 77) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0035336 k( 78) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035336 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0035336 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0035336 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0035336 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0035336 k( 83) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0035336 k( 84) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0035336 k( 85) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0035336 k( 86) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0035336 k( 87) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0035336 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0035336 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0035336 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0035336 k( 91) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0035336 k( 92) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0035336 k( 93) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0035336 k( 94) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0035336 k( 95) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0035336 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0035336 k( 97) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0035336 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035336 k( 100) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0035336 k( 101) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0035336 k( 102) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0035336 k( 103) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0035336 k( 104) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0035336 k( 105) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0035336 k( 106) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035336 k( 107) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0035336 k( 108) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0035336 k( 109) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0035336 k( 110) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0035336 k( 111) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0035336 k( 112) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0035336 k( 113) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035336 k( 114) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0035336 k( 115) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0035336 k( 116) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0035336 k( 117) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0035336 k( 118) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0035336 k( 119) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0035336 k( 120) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035336 k( 121) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0035336 k( 122) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0035336 k( 123) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0035336 k( 124) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0035336 k( 125) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0035336 k( 126) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0035336 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 129) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0035336 k( 130) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0035336 k( 131) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0035336 k( 132) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0035336 k( 133) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0035336 k( 134) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0035336 k( 135) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0035336 k( 136) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0035336 k( 137) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0035336 k( 138) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0035336 k( 139) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0035336 k( 140) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0035336 k( 141) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0035336 k( 142) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0035336 k( 143) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0035336 k( 144) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0035336 k( 145) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0035336 k( 146) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0035336 k( 147) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0035336 k( 148) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0035336 k( 149) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0035336 k( 150) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0035336 k( 151) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0035336 k( 152) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0035336 k( 153) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0035336 k( 154) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0035336 k( 155) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0035336 k( 156) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0035336 k( 157) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0035336 k( 158) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0035336 k( 159) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0035336 k( 160) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0035336 k( 161) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0035336 k( 162) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0035336 k( 163) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035336 k( 164) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035336 k( 165) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0035336 k( 166) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0035336 k( 167) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0035336 k( 168) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0035336 k( 169) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035336 k( 170) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0035336 k( 171) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0035336 k( 172) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0035336 k( 173) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0035336 k( 174) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035336 k( 175) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0035336 k( 176) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0035336 k( 177) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0035336 k( 178) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0035336 k( 179) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035336 k( 180) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0035336 k( 181) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0035336 k( 182) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0035336 k( 183) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0035336 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 k( 186) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0035336 k( 187) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0035336 k( 188) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0035336 k( 189) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0035336 k( 190) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0035336 k( 191) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0035336 k( 192) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0035336 k( 193) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0035336 k( 194) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0035336 k( 195) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035336 k( 196) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0035336 k( 197) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0035336 k( 198) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0035336 k( 199) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0035336 k( 200) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0035336 k( 201) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0035336 k( 202) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0035336 k( 203) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0035336 k( 204) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0035336 k( 205) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035336 k( 206) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0035336 k( 207) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0035336 k( 208) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0035336 k( 209) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0035336 k( 210) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0035336 k( 211) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0035336 k( 212) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0035336 k( 213) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0035336 k( 214) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0035336 k( 215) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035336 k( 216) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0035336 k( 217) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0035336 k( 218) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0035336 k( 219) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0035336 k( 220) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0035336 k( 221) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0035336 k( 222) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0035336 k( 223) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0035336 k( 224) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0035336 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035336 k( 226) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035336 k( 227) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0035336 k( 228) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0035336 k( 229) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0035336 k( 230) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0035336 k( 231) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0035336 k( 232) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0035336 k( 233) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0035336 k( 234) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0035336 k( 235) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0035336 k( 236) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0035336 k( 237) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0035336 k( 238) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0035336 k( 239) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0035336 k( 240) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0035336 k( 241) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0035336 k( 242) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0035336 k( 243) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0035336 k( 244) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0035336 k( 245) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0035336 k( 246) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0035336 k( 247) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0035336 k( 248) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0035336 k( 249) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0035336 k( 250) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0035336 k( 251) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0035336 k( 252) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0035336 k( 253) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0035336 k( 254) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035336 k( 255) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035336 k( 256) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0035336 k( 257) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0035336 k( 258) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0035336 k( 259) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0035336 k( 260) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0035336 k( 261) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0035336 k( 262) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0035336 k( 263) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0035336 k( 264) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0035336 k( 265) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0035336 k( 266) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0035336 k( 267) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0035336 k( 268) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0035336 k( 269) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035336 k( 270) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0035336 k( 271) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0035336 k( 272) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0035336 k( 273) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0035336 k( 274) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0035336 k( 275) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0035336 k( 276) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0035336 k( 277) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0035336 k( 278) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0035336 k( 279) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0035336 k( 280) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0035336 k( 281) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0035336 k( 282) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0035336 k( 283) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035336 Dense grid: 91033 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 39683 G-vectors FFT dimensions: ( 45, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 292, 76) NL pseudopotentials 0.41 Mb ( 146, 182) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2530) G-vector shells 0.01 Mb ( 1217) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 292, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.42 Mb ( 182, 2, 76) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./BaCO3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.2 secs Computing kpt #: 9 total cpu time spent up to now is 12.7 secs Computing kpt #: 10 total cpu time spent up to now is 13.7 secs Computing kpt #: 11 total cpu time spent up to now is 14.8 secs Computing kpt #: 12 total cpu time spent up to now is 15.9 secs Computing kpt #: 13 total cpu time spent up to now is 17.0 secs Computing kpt #: 14 total cpu time spent up to now is 18.0 secs Computing kpt #: 15 total cpu time spent up to now is 19.1 secs Computing kpt #: 16 total cpu time spent up to now is 20.2 secs Computing kpt #: 17 total cpu time spent up to now is 21.3 secs Computing kpt #: 18 total cpu time spent up to now is 22.3 secs Computing kpt #: 19 total cpu time spent up to now is 23.4 secs Computing kpt #: 20 total cpu time spent up to now is 24.5 secs Computing kpt #: 21 total cpu time spent up to now is 25.6 secs Computing kpt #: 22 total cpu time spent up to now is 26.7 secs Computing kpt #: 23 total cpu time spent up to now is 27.8 secs Computing kpt #: 24 total cpu time spent up to now is 29.1 secs Computing kpt #: 25 total cpu time spent up to now is 30.3 secs Computing kpt #: 26 total cpu time spent up to now is 31.4 secs Computing kpt #: 27 total cpu time spent up to now is 32.9 secs Computing kpt #: 28 total cpu time spent up to now is 34.6 secs Computing kpt #: 29 total cpu time spent up to now is 36.1 secs Computing kpt #: 30 total cpu time spent up to now is 37.6 secs Computing kpt #: 31 total cpu time spent up to now is 39.2 secs Computing kpt #: 32 total cpu time spent up to now is 40.8 secs Computing kpt #: 33 total cpu time spent up to now is 42.4 secs Computing kpt #: 34 total cpu time spent up to now is 43.9 secs Computing kpt #: 35 total cpu time spent up to now is 45.2 secs Computing kpt #: 36 total cpu time spent up to now is 46.6 secs Computing kpt #: 37 total cpu time spent up to now is 48.0 secs Computing kpt #: 38 total cpu time spent up to now is 49.6 secs Computing kpt #: 39 total cpu time spent up to now is 51.0 secs Computing kpt #: 40 total cpu time spent up to now is 52.6 secs Computing kpt #: 41 total cpu time spent up to now is 54.0 secs Computing kpt #: 42 total cpu time spent up to now is 55.4 secs Computing kpt #: 43 total cpu time spent up to now is 56.8 secs Computing kpt #: 44 total cpu time spent up to now is 58.3 secs Computing kpt #: 45 total cpu time spent up to now is 59.7 secs Computing kpt #: 46 total cpu time spent up to now is 61.3 secs Computing kpt #: 47 total cpu time spent up to now is 62.8 secs Computing kpt #: 48 total cpu time spent up to now is 64.4 secs Computing kpt #: 49 total cpu time spent up to now is 65.9 secs Computing kpt #: 50 total cpu time spent up to now is 67.3 secs Computing kpt #: 51 total cpu time spent up to now is 68.8 secs Computing kpt #: 52 total cpu time spent up to now is 70.3 secs Computing kpt #: 53 total cpu time spent up to now is 71.8 secs Computing kpt #: 54 total cpu time spent up to now is 73.3 secs Computing kpt #: 55 total cpu time spent up to now is 74.8 secs Computing kpt #: 56 total cpu time spent up to now is 76.3 secs Computing kpt #: 57 total cpu time spent up to now is 78.1 secs Computing kpt #: 58 total cpu time spent up to now is 79.7 secs Computing kpt #: 59 total cpu time spent up to now is 81.1 secs Computing kpt #: 60 total cpu time spent up to now is 82.4 secs Computing kpt #: 61 total cpu time spent up to now is 83.7 secs Computing kpt #: 62 total cpu time spent up to now is 84.9 secs Computing kpt #: 63 total cpu time spent up to now is 86.2 secs Computing kpt #: 64 total cpu time spent up to now is 87.4 secs Computing kpt #: 65 total cpu time spent up to now is 88.7 secs Computing kpt #: 66 total cpu time spent up to now is 89.9 secs Computing kpt #: 67 total cpu time spent up to now is 91.1 secs Computing kpt #: 68 total cpu time spent up to now is 92.4 secs Computing kpt #: 69 total cpu time spent up to now is 93.7 secs Computing kpt #: 70 total cpu time spent up to now is 94.9 secs Computing kpt #: 71 total cpu time spent up to now is 96.1 secs Computing kpt #: 72 total cpu time spent up to now is 97.3 secs Computing kpt #: 73 total cpu time spent up to now is 98.6 secs Computing kpt #: 74 total cpu time spent up to now is 99.9 secs Computing kpt #: 75 total cpu time spent up to now is 101.1 secs Computing kpt #: 76 total cpu time spent up to now is 102.3 secs Computing kpt #: 77 total cpu time spent up to now is 103.5 secs Computing kpt #: 78 total cpu time spent up to now is 104.5 secs Computing kpt #: 79 total cpu time spent up to now is 105.6 secs Computing kpt #: 80 total cpu time spent up to now is 106.8 secs Computing kpt #: 81 total cpu time spent up to now is 107.9 secs Computing kpt #: 82 total cpu time spent up to now is 108.9 secs Computing kpt #: 83 total cpu time spent up to now is 110.0 secs Computing kpt #: 84 total cpu time spent up to now is 111.0 secs Computing kpt #: 85 total cpu time spent up to now is 112.1 secs Computing kpt #: 86 total cpu time spent up to now is 113.2 secs Computing kpt #: 87 total cpu time spent up to now is 114.2 secs Computing kpt #: 88 total cpu time spent up to now is 115.2 secs Computing kpt #: 89 total cpu time spent up to now is 116.3 secs Computing kpt #: 90 total cpu time spent up to now is 117.4 secs Computing kpt #: 91 total cpu time spent up to now is 118.5 secs Computing kpt #: 92 total cpu time spent up to now is 119.6 secs Computing kpt #: 93 total cpu time spent up to now is 120.6 secs Computing kpt #: 94 total cpu time spent up to now is 121.7 secs Computing kpt #: 95 total cpu time spent up to now is 122.8 secs Computing kpt #: 96 total cpu time spent up to now is 123.8 secs Computing kpt #: 97 total cpu time spent up to now is 124.9 secs Computing kpt #: 98 total cpu time spent up to now is 126.1 secs Computing kpt #: 99 total cpu time spent up to now is 127.1 secs Computing kpt #: 100 total cpu time spent up to now is 128.3 secs Computing kpt #: 101 total cpu time spent up to now is 129.4 secs Computing kpt #: 102 total cpu time spent up to now is 130.5 secs Computing kpt #: 103 total cpu time spent up to now is 131.7 secs Computing kpt #: 104 total cpu time spent up to now is 132.9 secs Computing kpt #: 105 total cpu time spent up to now is 134.1 secs Computing kpt #: 106 total cpu time spent up to now is 135.5 secs Computing kpt #: 107 total cpu time spent up to now is 136.9 secs Computing kpt #: 108 total cpu time spent up to now is 138.7 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.5 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.7 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.2 secs Computing kpt #: 115 total cpu time spent up to now is 155.8 secs Computing kpt #: 116 total cpu time spent up to now is 157.4 secs Computing kpt #: 117 total cpu time spent up to now is 158.8 secs Computing kpt #: 118 total cpu time spent up to now is 160.1 secs Computing kpt #: 119 total cpu time spent up to now is 161.4 secs Computing kpt #: 120 total cpu time spent up to now is 162.5 secs Computing kpt #: 121 total cpu time spent up to now is 163.8 secs Computing kpt #: 122 total cpu time spent up to now is 165.0 secs Computing kpt #: 123 total cpu time spent up to now is 166.2 secs Computing kpt #: 124 total cpu time spent up to now is 167.3 secs Computing kpt #: 125 total cpu time spent up to now is 168.5 secs Computing kpt #: 126 total cpu time spent up to now is 169.7 secs Computing kpt #: 127 total cpu time spent up to now is 170.9 secs Computing kpt #: 128 total cpu time spent up to now is 172.0 secs Computing kpt #: 129 total cpu time spent up to now is 173.2 secs Computing kpt #: 130 total cpu time spent up to now is 174.4 secs Computing kpt #: 131 total cpu time spent up to now is 175.5 secs Computing kpt #: 132 total cpu time spent up to now is 176.7 secs Computing kpt #: 133 total cpu time spent up to now is 177.9 secs Computing kpt #: 134 total cpu time spent up to now is 179.1 secs Computing kpt #: 135 total cpu time spent up to now is 180.2 secs Computing kpt #: 136 total cpu time spent up to now is 181.4 secs Computing kpt #: 137 total cpu time spent up to now is 182.6 secs Computing kpt #: 138 total cpu time spent up to now is 183.8 secs Computing kpt #: 139 total cpu time spent up to now is 185.0 secs Computing kpt #: 140 total cpu time spent up to now is 186.2 secs Computing kpt #: 141 total cpu time spent up to now is 187.5 secs Computing kpt #: 142 total cpu time spent up to now is 188.7 secs Computing kpt #: 143 total cpu time spent up to now is 189.8 secs Computing kpt #: 144 total cpu time spent up to now is 191.1 secs Computing kpt #: 145 total cpu time spent up to now is 192.3 secs Computing kpt #: 146 total cpu time spent up to now is 193.6 secs Computing kpt #: 147 total cpu time spent up to now is 194.8 secs Computing kpt #: 148 total cpu time spent up to now is 196.0 secs Computing kpt #: 149 total cpu time spent up to now is 197.3 secs Computing kpt #: 150 total cpu time spent up to now is 198.7 secs Computing kpt #: 151 total cpu time spent up to now is 199.9 secs Computing kpt #: 152 total cpu time spent up to now is 201.2 secs Computing kpt #: 153 total cpu time spent up to now is 202.4 secs Computing kpt #: 154 total cpu time spent up to now is 203.7 secs Computing kpt #: 155 total cpu time spent up to now is 205.0 secs Computing kpt #: 156 total cpu time spent up to now is 206.3 secs Computing kpt #: 157 total cpu time spent up to now is 207.5 secs Computing kpt #: 158 total cpu time spent up to now is 208.7 secs Computing kpt #: 159 total cpu time spent up to now is 209.9 secs Computing kpt #: 160 total cpu time spent up to now is 211.2 secs Computing kpt #: 161 total cpu time spent up to now is 212.4 secs Computing kpt #: 162 total cpu time spent up to now is 213.6 secs Computing kpt #: 163 total cpu time spent up to now is 214.8 secs Computing kpt #: 164 total cpu time spent up to now is 216.0 secs Computing kpt #: 165 total cpu time spent up to now is 217.2 secs Computing kpt #: 166 total cpu time spent up to now is 218.3 secs Computing kpt #: 167 total cpu time spent up to now is 219.5 secs Computing kpt #: 168 total cpu time spent up to now is 220.6 secs Computing kpt #: 169 total cpu time spent up to now is 221.8 secs Computing kpt #: 170 total cpu time spent up to now is 222.9 secs Computing kpt #: 171 total cpu time spent up to now is 224.0 secs Computing kpt #: 172 total cpu time spent up to now is 225.2 secs Computing kpt #: 173 total cpu time spent up to now is 226.4 secs Computing kpt #: 174 total cpu time spent up to now is 227.5 secs Computing kpt #: 175 total cpu time spent up to now is 228.5 secs Computing kpt #: 176 total cpu time spent up to now is 229.6 secs Computing kpt #: 177 total cpu time spent up to now is 230.7 secs Computing kpt #: 178 total cpu time spent up to now is 231.8 secs Computing kpt #: 179 total cpu time spent up to now is 232.9 secs Computing kpt #: 180 total cpu time spent up to now is 234.0 secs Computing kpt #: 181 total cpu time spent up to now is 235.1 secs Computing kpt #: 182 total cpu time spent up to now is 236.2 secs Computing kpt #: 183 total cpu time spent up to now is 237.3 secs Computing kpt #: 184 total cpu time spent up to now is 238.3 secs Computing kpt #: 185 total cpu time spent up to now is 239.4 secs Computing kpt #: 186 total cpu time spent up to now is 240.5 secs Computing kpt #: 187 total cpu time spent up to now is 241.6 secs Computing kpt #: 188 total cpu time spent up to now is 242.7 secs Computing kpt #: 189 total cpu time spent up to now is 243.7 secs Computing kpt #: 190 total cpu time spent up to now is 244.8 secs Computing kpt #: 191 total cpu time spent up to now is 245.9 secs Computing kpt #: 192 total cpu time spent up to now is 247.0 secs Computing kpt #: 193 total cpu time spent up to now is 248.1 secs Computing kpt #: 194 total cpu time spent up to now is 249.1 secs Computing kpt #: 195 total cpu time spent up to now is 250.3 secs Computing kpt #: 196 total cpu time spent up to now is 251.4 secs Computing kpt #: 197 total cpu time spent up to now is 252.6 secs Computing kpt #: 198 total cpu time spent up to now is 253.8 secs Computing kpt #: 199 total cpu time spent up to now is 255.0 secs Computing kpt #: 200 total cpu time spent up to now is 256.2 secs Computing kpt #: 201 total cpu time spent up to now is 257.4 secs Computing kpt #: 202 total cpu time spent up to now is 258.7 secs Computing kpt #: 203 total cpu time spent up to now is 260.0 secs Computing kpt #: 204 total cpu time spent up to now is 261.2 secs Computing kpt #: 205 total cpu time spent up to now is 262.5 secs Computing kpt #: 206 total cpu time spent up to now is 263.7 secs Computing kpt #: 207 total cpu time spent up to now is 265.0 secs Computing kpt #: 208 total cpu time spent up to now is 266.2 secs Computing kpt #: 209 total cpu time spent up to now is 267.5 secs Computing kpt #: 210 total cpu time spent up to now is 268.7 secs Computing kpt #: 211 total cpu time spent up to now is 269.9 secs Computing kpt #: 212 total cpu time spent up to now is 271.1 secs Computing kpt #: 213 total cpu time spent up to now is 272.3 secs Computing kpt #: 214 total cpu time spent up to now is 273.4 secs Computing kpt #: 215 total cpu time spent up to now is 274.6 secs Computing kpt #: 216 total cpu time spent up to now is 275.8 secs Computing kpt #: 217 total cpu time spent up to now is 276.9 secs Computing kpt #: 218 total cpu time spent up to now is 278.1 secs Computing kpt #: 219 total cpu time spent up to now is 279.2 secs Computing kpt #: 220 total cpu time spent up to now is 280.3 secs Computing kpt #: 221 total cpu time spent up to now is 281.5 secs Computing kpt #: 222 total cpu time spent up to now is 282.6 secs Computing kpt #: 223 total cpu time spent up to now is 283.7 secs Computing kpt #: 224 total cpu time spent up to now is 284.9 secs Computing kpt #: 225 total cpu time spent up to now is 286.1 secs Computing kpt #: 226 total cpu time spent up to now is 287.2 secs Computing kpt #: 227 total cpu time spent up to now is 288.3 secs Computing kpt #: 228 total cpu time spent up to now is 289.5 secs Computing kpt #: 229 total cpu time spent up to now is 290.8 secs Computing kpt #: 230 total cpu time spent up to now is 292.1 secs Computing kpt #: 231 total cpu time spent up to now is 293.4 secs Computing kpt #: 232 total cpu time spent up to now is 294.7 secs Computing kpt #: 233 total cpu time spent up to now is 296.0 secs Computing kpt #: 234 total cpu time spent up to now is 297.4 secs Computing kpt #: 235 total cpu time spent up to now is 298.9 secs Computing kpt #: 236 total cpu time spent up to now is 300.4 secs Computing kpt #: 237 total cpu time spent up to now is 302.0 secs Computing kpt #: 238 total cpu time spent up to now is 303.5 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.1 secs Computing kpt #: 240 total cpu time spent up to now is 308.3 secs Computing kpt #: 241 total cpu time spent up to now is 310.1 secs Computing kpt #: 242 total cpu time spent up to now is 312.7 secs Computing kpt #: 243 total cpu time spent up to now is 314.2 secs Computing kpt #: 244 total cpu time spent up to now is 315.6 secs Computing kpt #: 245 total cpu time spent up to now is 317.5 secs Computing kpt #: 246 total cpu time spent up to now is 318.8 secs Computing kpt #: 247 total cpu time spent up to now is 320.4 secs Computing kpt #: 248 total cpu time spent up to now is 322.0 secs Computing kpt #: 249 total cpu time spent up to now is 323.4 secs Computing kpt #: 250 total cpu time spent up to now is 324.9 secs Computing kpt #: 251 total cpu time spent up to now is 326.3 secs Computing kpt #: 252 total cpu time spent up to now is 327.7 secs Computing kpt #: 253 total cpu time spent up to now is 329.2 secs Computing kpt #: 254 total cpu time spent up to now is 331.0 secs Computing kpt #: 255 total cpu time spent up to now is 333.2 secs Computing kpt #: 256 total cpu time spent up to now is 335.3 secs Computing kpt #: 257 total cpu time spent up to now is 337.7 secs Computing kpt #: 258 total cpu time spent up to now is 339.3 secs Computing kpt #: 259 total cpu time spent up to now is 341.2 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.8 secs Computing kpt #: 261 total cpu time spent up to now is 345.3 secs Computing kpt #: 262 total cpu time spent up to now is 347.0 secs Computing kpt #: 263 total cpu time spent up to now is 348.5 secs Computing kpt #: 264 total cpu time spent up to now is 350.7 secs Computing kpt #: 265 total cpu time spent up to now is 352.6 secs Computing kpt #: 266 total cpu time spent up to now is 354.2 secs Computing kpt #: 267 total cpu time spent up to now is 356.0 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.6 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.7 secs Computing kpt #: 271 total cpu time spent up to now is 365.6 secs Computing kpt #: 272 total cpu time spent up to now is 367.2 secs Computing kpt #: 273 total cpu time spent up to now is 368.6 secs Computing kpt #: 274 total cpu time spent up to now is 370.1 secs Computing kpt #: 275 total cpu time spent up to now is 371.4 secs Computing kpt #: 276 total cpu time spent up to now is 372.7 secs Computing kpt #: 277 total cpu time spent up to now is 373.8 secs Computing kpt #: 278 total cpu time spent up to now is 375.0 secs Computing kpt #: 279 total cpu time spent up to now is 376.2 secs Computing kpt #: 280 total cpu time spent up to now is 377.3 secs Computing kpt #: 281 total cpu time spent up to now is 378.4 secs Computing kpt #: 282 total cpu time spent up to now is 379.5 secs Computing kpt #: 283 total cpu time spent up to now is 380.5 secs ethr = 1.56E-08, avg # of iterations = 41.7 total cpu time spent up to now is 380.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4931 PWs) bands (ev): -18.2602 -18.2602 -18.0854 -18.0854 -15.1133 -15.1133 -14.8062 -14.8062 -11.9178 -11.9178 -11.9152 -11.9152 -11.7008 -11.7008 -11.6998 -11.6998 -5.1657 -5.1657 -4.7723 -4.7723 -3.4774 -3.4774 -3.4218 -3.4218 -3.0192 -3.0192 -2.6873 -2.6873 -0.8655 -0.8655 -0.6973 -0.6973 0.2304 0.2304 1.5236 1.5236 1.5894 1.5894 1.6445 1.6445 1.7826 1.7826 2.5322 2.5322 4.7538 4.7538 4.7545 4.7545 5.8064 5.8064 5.8461 5.8461 5.9076 5.9076 5.9083 5.9083 6.0153 6.0153 6.0332 6.0332 6.5270 6.5270 6.7815 6.7815 11.9044 11.9044 12.0505 12.0505 12.3291 12.3291 12.3793 12.3793 13.6568 13.6568 13.7785 13.7785 k = 0.0143 0.0082-0.0000 ( 4931 PWs) bands (ev): -18.2600 -18.2600 -18.0853 -18.0853 -15.1138 -15.1138 -14.8065 -14.8065 -11.9178 -11.9178 -11.9153 -11.9153 -11.7009 -11.7009 -11.6999 -11.6999 -5.1649 -5.1649 -4.7720 -4.7720 -3.4763 -3.4763 -3.4210 -3.4210 -3.0188 -3.0188 -2.6874 -2.6874 -0.8636 -0.8636 -0.6960 -0.6960 0.2298 0.2298 1.5227 1.5227 1.5882 1.5882 1.6436 1.6436 1.7814 1.7814 2.5323 2.5323 4.7535 4.7535 4.7544 4.7544 5.8045 5.8045 5.8442 5.8442 5.9077 5.9077 5.9085 5.9085 6.0130 6.0130 6.0309 6.0309 6.5269 6.5269 6.7812 6.7812 11.9062 11.9062 12.0494 12.0494 12.3307 12.3307 12.3810 12.3810 13.6575 13.6575 13.7792 13.7792 k = 0.0286 0.0165-0.0000 ( 4931 PWs) bands (ev): -18.2592 -18.2592 -18.0850 -18.0850 -15.1152 -15.1152 -14.8073 -14.8073 -11.9180 -11.9180 -11.9155 -11.9155 -11.7011 -11.7011 -11.7002 -11.7002 -5.1628 -5.1628 -4.7712 -4.7712 -3.4729 -3.4729 -3.4189 -3.4189 -3.0174 -3.0174 -2.6877 -2.6877 -0.8579 -0.8579 -0.6919 -0.6919 0.2280 0.2280 1.5199 1.5199 1.5845 1.5845 1.6410 1.6410 1.7776 1.7776 2.5325 2.5325 4.7525 4.7525 4.7541 4.7541 5.7989 5.7989 5.8387 5.8387 5.9078 5.9078 5.9092 5.9092 6.0064 6.0064 6.0241 6.0241 6.5266 6.5266 6.7803 6.7803 11.9119 11.9119 12.0463 12.0463 12.3356 12.3356 12.3861 12.3861 13.6595 13.6595 13.7814 13.7814 k = 0.0429 0.0247-0.0000 ( 4929 PWs) bands (ev): -18.2580 -18.2580 -18.0846 -18.0846 -15.1175 -15.1175 -14.8087 -14.8087 -11.9183 -11.9183 -11.9157 -11.9157 -11.7016 -11.7016 -11.7006 -11.7006 -5.1592 -5.1592 -4.7697 -4.7697 -3.4672 -3.4672 -3.4153 -3.4153 -3.0151 -3.0151 -2.6881 -2.6881 -0.8485 -0.8485 -0.6852 -0.6852 0.2250 0.2250 1.5150 1.5150 1.5785 1.5785 1.6365 1.6365 1.7715 1.7715 2.5329 2.5329 4.7506 4.7506 4.7539 4.7539 5.7894 5.7894 5.8294 5.8294 5.9078 5.9078 5.9106 5.9106 5.9956 5.9956 6.0129 6.0129 6.5261 6.5261 6.7788 6.7788 11.9212 11.9212 12.0409 12.0409 12.3434 12.3434 12.3951 12.3951 13.6628 13.6628 13.7848 13.7848 k = 0.0571 0.0330-0.0000 ( 4933 PWs) bands (ev): -18.2563 -18.2563 -18.0840 -18.0840 -15.1207 -15.1207 -14.8107 -14.8107 -11.9188 -11.9188 -11.9160 -11.9160 -11.7022 -11.7022 -11.7012 -11.7012 -5.1542 -5.1542 -4.7678 -4.7678 -3.4593 -3.4593 -3.4102 -3.4102 -3.0119 -3.0119 -2.6888 -2.6888 -0.8354 -0.8354 -0.6759 -0.6759 0.2208 0.2208 1.5080 1.5080 1.5707 1.5707 1.6301 1.6301 1.7631 1.7631 2.5334 2.5334 4.7479 4.7479 4.7536 4.7536 5.7760 5.7760 5.8165 5.8165 5.9076 5.9076 5.9126 5.9126 5.9808 5.9808 5.9976 5.9976 6.5253 6.5253 6.7766 6.7766 11.9342 11.9342 12.0331 12.0331 12.3536 12.3536 12.4087 12.4087 13.6674 13.6674 13.7892 13.7892 k = 0.0714 0.0412-0.0000 ( 4935 PWs) bands (ev): -18.2541 -18.2541 -18.0833 -18.0833 -15.1247 -15.1247 -14.8132 -14.8132 -11.9196 -11.9196 -11.9162 -11.9162 -11.7031 -11.7031 -11.7018 -11.7018 -5.1478 -5.1478 -4.7653 -4.7653 -3.4493 -3.4493 -3.4036 -3.4036 -3.0078 -3.0078 -2.6896 -2.6896 -0.8187 -0.8187 -0.6640 -0.6640 0.2154 0.2154 1.4984 1.4984 1.5612 1.5612 1.6216 1.6216 1.7527 1.7527 2.5341 2.5341 4.7444 4.7444 4.7533 4.7533 5.7586 5.7586 5.7999 5.7999 5.9073 5.9073 5.9150 5.9150 5.9626 5.9626 5.9786 5.9786 6.5242 6.5242 6.7738 6.7738 11.9507 11.9507 12.0226 12.0226 12.3656 12.3656 12.4278 12.4278 13.6732 13.6732 13.7942 13.7942 k = 0.0857 0.0495-0.0000 ( 4931 PWs) bands (ev): -18.2514 -18.2514 -18.0824 -18.0824 -15.1296 -15.1296 -14.8163 -14.8163 -11.9206 -11.9206 -11.9164 -11.9164 -11.7042 -11.7042 -11.7025 -11.7025 -5.1401 -5.1401 -4.7623 -4.7623 -3.4372 -3.4372 -3.3955 -3.3955 -3.0029 -3.0029 -2.6905 -2.6905 -0.7985 -0.7985 -0.6495 -0.6495 0.2090 0.2090 1.4859 1.4859 1.5506 1.5506 1.6109 1.6109 1.7404 1.7404 2.5350 2.5350 4.7403 4.7403 4.7530 4.7530 5.7369 5.7369 5.7796 5.7796 5.9069 5.9069 5.9179 5.9179 5.9413 5.9413 5.9565 5.9565 6.5227 6.5227 6.7703 6.7703 11.9705 11.9705 12.0096 12.0096 12.3790 12.3790 12.4528 12.4528 13.6803 13.6803 13.7994 13.7994 k = 0.1000 0.0577-0.0000 ( 4939 PWs) bands (ev): -18.2483 -18.2483 -18.0814 -18.0814 -15.1353 -15.1353 -14.8198 -14.8198 -11.9219 -11.9219 -11.9166 -11.9166 -11.7055 -11.7055 -11.7034 -11.7034 -5.1312 -5.1312 -4.7588 -4.7588 -3.4234 -3.4234 -3.3859 -3.3859 -2.9970 -2.9970 -2.6916 -2.6916 -0.7749 -0.7749 -0.6325 -0.6325 0.2015 0.2015 1.4705 1.4705 1.5391 1.5391 1.5981 1.5981 1.7266 1.7266 2.5359 2.5359 4.7356 4.7356 4.7528 4.7528 5.7106 5.7106 5.7557 5.7557 5.9061 5.9061 5.9171 5.9171 5.9210 5.9210 5.9325 5.9325 6.5208 6.5208 6.7661 6.7661 11.9906 11.9906 11.9971 11.9971 12.3934 12.3934 12.4842 12.4842 13.6885 13.6885 13.8041 13.8041 k = 0.1143 0.0660-0.0000 ( 4935 PWs) bands (ev): -18.2447 -18.2447 -18.0802 -18.0802 -15.1418 -15.1418 -14.8238 -14.8238 -11.9234 -11.9234 -11.9167 -11.9167 -11.7070 -11.7070 -11.7043 -11.7043 -5.1210 -5.1210 -4.7549 -4.7549 -3.4080 -3.4080 -3.3744 -3.3744 -2.9903 -2.9903 -2.6927 -2.6927 -0.7482 -0.7482 -0.6132 -0.6132 0.1929 0.1929 1.4520 1.4520 1.5267 1.5267 1.5830 1.5830 1.7116 1.7116 2.5370 2.5370 4.7302 4.7302 4.7526 4.7526 5.6796 5.6796 5.7281 5.7281 5.8916 5.8916 5.9013 5.9013 5.9079 5.9079 5.9264 5.9264 6.5184 6.5184 6.7612 6.7612 11.9751 11.9751 12.0206 12.0206 12.4089 12.4089 12.5216 12.5216 13.6978 13.6978 13.8081 13.8081 k = 0.1286 0.0742-0.0000 ( 4931 PWs) bands (ev): -18.2407 -18.2407 -18.0789 -18.0789 -15.1489 -15.1489 -14.8282 -14.8282 -11.9250 -11.9250 -11.9168 -11.9168 -11.7086 -11.7086 -11.7053 -11.7053 -5.1097 -5.1097 -4.7506 -4.7506 -3.3915 -3.3915 -3.3609 -3.3609 -2.9828 -2.9828 -2.6940 -2.6940 -0.7184 -0.7184 -0.5915 -0.5915 0.1834 0.1834 1.4305 1.4305 1.5132 1.5132 1.5659 1.5659 1.6956 1.6956 2.5383 2.5383 4.7243 4.7243 4.7525 4.7525 5.6438 5.6438 5.6967 5.6967 5.8649 5.8649 5.8746 5.8746 5.9055 5.9055 5.9303 5.9303 6.5156 6.5156 6.7555 6.7555 11.9548 11.9548 12.0498 12.0498 12.4255 12.4255 12.5648 12.5648 13.7082 13.7082 13.8107 13.8107 k = 0.1429 0.0825-0.0000 ( 4931 PWs) bands (ev): -18.2364 -18.2364 -18.0776 -18.0776 -15.1567 -15.1567 -14.8330 -14.8330 -11.9269 -11.9269 -11.9168 -11.9168 -11.7105 -11.7105 -11.7064 -11.7064 -5.0973 -5.0973 -4.7459 -4.7459 -3.3743 -3.3743 -3.3450 -3.3450 -2.9745 -2.9745 -2.6953 -2.6953 -0.6858 -0.6858 -0.5676 -0.5676 0.1731 0.1731 1.4062 1.4062 1.4980 1.4980 1.5473 1.5473 1.6791 1.6791 2.5396 2.5396 4.7180 4.7180 4.7525 4.7525 5.6034 5.6034 5.6613 5.6613 5.8375 5.8375 5.8454 5.8454 5.9043 5.9043 5.9348 5.9348 6.5122 6.5122 6.7492 6.7492 11.9323 11.9323 12.0819 12.0819 12.4432 12.4432 12.6136 12.6136 13.7196 13.7196 13.8117 13.8117 k = 0.1571 0.0907-0.0000 ( 4945 PWs) bands (ev): -18.2316 -18.2316 -18.0761 -18.0761 -15.1651 -15.1651 -14.8382 -14.8382 -11.9288 -11.9288 -11.9169 -11.9169 -11.7124 -11.7124 -11.7076 -11.7076 -5.0840 -5.0840 -4.7409 -4.7409 -3.3571 -3.3571 -3.3263 -3.3263 -2.9654 -2.9654 -2.6966 -2.6966 -0.6506 -0.6506 -0.5416 -0.5416 0.1619 0.1619 1.3795 1.3795 1.4803 1.4803 1.5280 1.5280 1.6620 1.6620 2.5411 2.5411 4.7112 4.7112 4.7526 4.7526 5.5585 5.5585 5.6219 5.6219 5.8100 5.8100 5.8155 5.8155 5.9030 5.9030 5.9396 5.9396 6.5084 6.5084 6.7421 6.7421 11.9081 11.9081 12.1165 12.1165 12.4621 12.4621 12.6676 12.6676 13.7318 13.7318 13.8106 13.8106 k = 0.1714 0.0990-0.0000 ( 4955 PWs) bands (ev): -18.2266 -18.2266 -18.0746 -18.0746 -15.1740 -15.1740 -14.8437 -14.8437 -11.9309 -11.9309 -11.9170 -11.9170 -11.7145 -11.7145 -11.7088 -11.7088 -5.0698 -5.0698 -4.7357 -4.7357 -3.3399 -3.3399 -3.3049 -3.3049 -2.9556 -2.9556 -2.6980 -2.6980 -0.6129 -0.6129 -0.5136 -0.5136 0.1500 0.1500 1.3507 1.3507 1.4590 1.4590 1.5093 1.5093 1.6446 1.6446 2.5426 2.5426 4.7041 4.7041 4.7530 4.7530 5.5096 5.5096 5.5785 5.5785 5.7826 5.7826 5.7856 5.7856 5.9016 5.9016 5.9447 5.9447 6.5040 6.5040 6.7343 6.7343 11.8825 11.8825 12.1535 12.1535 12.4822 12.4822 12.7265 12.7265 13.7449 13.7449 13.8074 13.8074 k = 0.1857 0.1072-0.0000 ( 4957 PWs) bands (ev): -18.2212 -18.2212 -18.0731 -18.0731 -15.1834 -15.1834 -14.8495 -14.8495 -11.9331 -11.9331 -11.9170 -11.9170 -11.7167 -11.7167 -11.7101 -11.7101 -5.0549 -5.0549 -4.7303 -4.7303 -3.3226 -3.3226 -3.2811 -3.2811 -2.9451 -2.9451 -2.6994 -2.6994 -0.5732 -0.5732 -0.4838 -0.4838 0.1376 0.1376 1.3199 1.3199 1.4338 1.4338 1.4917 1.4917 1.6270 1.6270 2.5442 2.5442 4.6968 4.6968 4.7535 4.7535 5.4572 5.4572 5.5314 5.5314 5.7543 5.7543 5.7575 5.7575 5.8999 5.8999 5.9499 5.9499 6.4992 6.4992 6.7259 6.7259 11.8557 11.8557 12.1928 12.1928 12.5032 12.5032 12.7900 12.7900 13.7587 13.7587 13.8020 13.8020 k = 0.2000 0.1155-0.0000 ( 4953 PWs) bands (ev): -18.2155 -18.2155 -18.0715 -18.0715 -15.1932 -15.1932 -14.8554 -14.8554 -11.9354 -11.9354 -11.9171 -11.9171 -11.7190 -11.7190 -11.7115 -11.7115 -5.0392 -5.0392 -4.7248 -4.7248 -3.3051 -3.3051 -3.2554 -3.2554 -2.9340 -2.9340 -2.7009 -2.7009 -0.5315 -0.5315 -0.4523 -0.4523 0.1245 0.1245 1.2876 1.2876 1.4049 1.4049 1.4751 1.4751 1.6092 1.6092 2.5459 2.5459 4.6892 4.6892 4.7542 4.7542 5.4018 5.4018 5.4810 5.4810 5.7245 5.7245 5.7317 5.7317 5.8981 5.8981 5.9553 5.9553 6.4939 6.4939 6.7170 6.7170 11.8281 11.8281 12.2340 12.2340 12.5252 12.5252 12.8578 12.8578 13.7733 13.7733 13.7945 13.7945 k = 0.2143 0.1237-0.0000 ( 4963 PWs) bands (ev): -18.2096 -18.2096 -18.0700 -18.0700 -15.2032 -15.2032 -14.8616 -14.8616 -11.9378 -11.9378 -11.9172 -11.9172 -11.7214 -11.7214 -11.7129 -11.7129 -5.0230 -5.0230 -4.7192 -4.7192 -3.2871 -3.2871 -3.2282 -3.2282 -2.9223 -2.9223 -2.7023 -2.7023 -0.4883 -0.4883 -0.4193 -0.4193 0.1111 0.1111 1.2539 1.2539 1.3731 1.3731 1.4591 1.4591 1.5912 1.5912 2.5477 2.5477 4.6815 4.6815 4.7551 4.7551 5.3440 5.3440 5.4277 5.4277 5.6948 5.6948 5.7072 5.7072 5.8961 5.8961 5.9608 5.9608 6.4883 6.4883 6.7075 6.7075 11.7999 11.7999 12.2770 12.2770 12.5480 12.5480 12.9295 12.9295 13.7847 13.7847 13.7885 13.7885 k = 0.2286 0.1320-0.0000 ( 4969 PWs) bands (ev): -18.2034 -18.2034 -18.0684 -18.0684 -15.2135 -15.2135 -14.8679 -14.8679 -11.9402 -11.9402 -11.9172 -11.9172 -11.7238 -11.7238 -11.7143 -11.7143 -5.0063 -5.0063 -4.7136 -4.7136 -3.2687 -3.2687 -3.1998 -3.1998 -2.9101 -2.9101 -2.7037 -2.7037 -0.4438 -0.4438 -0.3850 -0.3850 0.0973 0.0973 1.2191 1.2191 1.3393 1.3393 1.4435 1.4435 1.5731 1.5731 2.5495 2.5495 4.6737 4.6737 4.7562 4.7562 5.2844 5.2844 5.3720 5.3720 5.6655 5.6655 5.6837 5.6837 5.8939 5.8939 5.9663 5.9663 6.4823 6.4823 6.6976 6.6976 11.7715 11.7715 12.3216 12.3216 12.5715 12.5715 13.0048 13.0048 13.7733 13.7733 13.8042 13.8042 k = 0.2429 0.1402-0.0000 ( 4973 PWs) bands (ev): -18.1971 -18.1971 -18.0670 -18.0670 -15.2240 -15.2240 -14.8743 -14.8743 -11.9426 -11.9426 -11.9173 -11.9173 -11.7263 -11.7263 -11.7157 -11.7157 -4.9892 -4.9892 -4.7081 -4.7081 -3.2497 -3.2497 -3.1706 -3.1706 -2.8975 -2.8975 -2.7052 -2.7052 -0.3985 -0.3985 -0.3495 -0.3495 0.0834 0.0834 1.1834 1.1834 1.3040 1.3040 1.4280 1.4280 1.5549 1.5549 2.5513 2.5513 4.6659 4.6659 4.7575 4.7575 5.2235 5.2235 5.3145 5.3145 5.6367 5.6367 5.6613 5.6613 5.8916 5.8916 5.9717 5.9717 6.4760 6.4760 6.6874 6.6874 11.7429 11.7429 12.3675 12.3675 12.5955 12.5955 13.0832 13.0832 13.7601 13.7601 13.8205 13.8205 k = 0.2571 0.1485-0.0000 ( 4963 PWs) bands (ev): -18.1907 -18.1907 -18.0655 -18.0655 -15.2344 -15.2344 -14.8806 -14.8806 -11.9450 -11.9450 -11.9173 -11.9173 -11.7287 -11.7287 -11.7172 -11.7172 -4.9719 -4.9719 -4.7028 -4.7028 -3.2304 -3.2304 -3.1408 -3.1408 -2.8844 -2.8844 -2.7066 -2.7066 -0.3526 -0.3526 -0.3130 -0.3130 0.0694 0.0694 1.1471 1.1471 1.2678 1.2678 1.4125 1.4125 1.5367 1.5367 2.5532 2.5532 4.6582 4.6582 4.7589 4.7589 5.1619 5.1619 5.2558 5.2558 5.6087 5.6087 5.6400 5.6400 5.8891 5.8891 5.9771 5.9771 6.4695 6.4695 6.6769 6.6769 11.7146 11.7146 12.4147 12.4147 12.6199 12.6199 13.1644 13.1644 13.7453 13.7453 13.8374 13.8374 k = 0.2714 0.1567-0.0000 ( 4961 PWs) bands (ev): -18.1841 -18.1841 -18.0642 -18.0642 -15.2449 -15.2449 -14.8870 -14.8870 -11.9475 -11.9475 -11.9174 -11.9174 -11.7312 -11.7312 -11.7186 -11.7186 -4.9544 -4.9544 -4.6977 -4.6977 -3.2107 -3.2107 -3.1108 -3.1108 -2.8710 -2.8710 -2.7081 -2.7081 -0.3068 -0.3068 -0.2756 -0.2756 0.0554 0.0554 1.1105 1.1105 1.2312 1.2312 1.3971 1.3971 1.5185 1.5185 2.5550 2.5550 4.6505 4.6505 4.7605 4.7605 5.1002 5.1002 5.1964 5.1964 5.5815 5.5815 5.6198 5.6198 5.8865 5.8865 5.9825 5.9825 6.4629 6.4629 6.6662 6.6662 11.6867 11.6867 12.4628 12.4628 12.6444 12.6444 13.2478 13.2478 13.7292 13.7292 13.8549 13.8549 k = 0.2857 0.1650-0.0000 ( 4951 PWs) bands (ev): -18.1775 -18.1775 -18.0630 -18.0630 -15.2553 -15.2553 -14.8933 -14.8933 -11.9498 -11.9498 -11.9174 -11.9174 -11.7336 -11.7336 -11.7200 -11.7200 -4.9369 -4.9369 -4.6928 -4.6928 -3.1908 -3.1908 -3.0809 -3.0809 -2.8573 -2.8573 -2.7095 -2.7095 -0.2618 -0.2618 -0.2371 -0.2371 0.0418 0.0418 1.0738 1.0738 1.1947 1.1947 1.3819 1.3819 1.5004 1.5004 2.5569 2.5569 4.6431 4.6431 4.7621 4.7621 5.0388 5.0388 5.1367 5.1367 5.5554 5.5554 5.6007 5.6007 5.8837 5.8837 5.9876 5.9876 6.4562 6.4562 6.6555 6.6555 11.6594 11.6594 12.5116 12.5116 12.6691 12.6691 13.3328 13.3328 13.7118 13.7118 13.8733 13.8733 k = 0.3000 0.1732-0.0000 ( 4947 PWs) bands (ev): -18.1709 -18.1709 -18.0619 -18.0619 -15.2654 -15.2654 -14.8994 -14.8994 -11.9522 -11.9522 -11.9174 -11.9174 -11.7360 -11.7360 -11.7214 -11.7214 -4.9195 -4.9195 -4.6884 -4.6884 -3.1707 -3.1707 -3.0514 -3.0514 -2.8434 -2.8434 -2.7110 -2.7110 -0.2187 -0.2187 -0.1973 -0.1973 0.0285 0.0285 1.0372 1.0372 1.1585 1.1585 1.3668 1.3668 1.4825 1.4825 2.5587 2.5587 4.6358 4.6358 4.7638 4.7638 4.9785 4.9785 5.0774 5.0774 5.5304 5.5304 5.5828 5.5828 5.8810 5.8810 5.9926 5.9926 6.4495 6.4495 6.6448 6.6448 11.6330 11.6330 12.5609 12.5609 12.6938 12.6938 13.4186 13.4186 13.6933 13.6933 13.8929 13.8929 k = 0.3143 0.1815-0.0000 ( 4959 PWs) bands (ev): -18.1643 -18.1643 -18.0610 -18.0610 -15.2753 -15.2753 -14.9054 -14.9054 -11.9544 -11.9544 -11.9175 -11.9175 -11.7384 -11.7384 -11.7228 -11.7228 -4.9022 -4.9022 -4.6844 -4.6844 -3.1506 -3.1506 -3.0228 -3.0228 -2.8293 -2.8293 -2.7126 -2.7126 -0.1786 -0.1786 -0.1560 -0.1560 0.0160 0.0160 1.0011 1.0011 1.1232 1.1232 1.3520 1.3520 1.4650 1.4650 2.5605 2.5605 4.6289 4.6289 4.7651 4.7651 4.9197 4.9197 5.0191 5.0191 5.5066 5.5066 5.5660 5.5660 5.8782 5.8782 5.9974 5.9974 6.4428 6.4428 6.6343 6.6343 11.6075 11.6075 12.6101 12.6101 12.7185 12.7185 13.5039 13.5039 13.6738 13.6738 13.9144 13.9144 k = 0.3286 0.1897-0.0000 ( 4967 PWs) bands (ev): -18.1578 -18.1578 -18.0603 -18.0603 -15.2849 -15.2849 -14.9112 -14.9112 -11.9566 -11.9566 -11.9175 -11.9175 -11.7406 -11.7406 -11.7241 -11.7241 -4.8853 -4.8853 -4.6808 -4.6808 -3.1307 -3.1307 -2.9954 -2.9954 -2.8151 -2.8151 -2.7141 -2.7141 -0.1415 -0.1415 -0.1142 -0.1142 0.0047 0.0047 0.9658 0.9658 1.0890 1.0890 1.3377 1.3377 1.4479 1.4479 2.5622 2.5622 4.6222 4.6222 4.7658 4.7658 4.8633 4.8633 4.9622 4.9622 5.4842 5.4842 5.5504 5.5504 5.8754 5.8754 6.0019 6.0019 6.4363 6.4363 6.6240 6.6240 11.5833 11.5833 12.6587 12.6587 12.7435 12.7435 13.5868 13.5868 13.6536 13.6536 13.9390 13.9390 k = 0.3429 0.1979-0.0000 ( 4967 PWs) bands (ev): -18.1514 -18.1514 -18.0597 -18.0597 -15.2940 -15.2940 -14.9167 -14.9167 -11.9586 -11.9586 -11.9175 -11.9175 -11.7428 -11.7428 -11.7253 -11.7253 -4.8688 -4.8688 -4.6779 -4.6779 -3.1111 -3.1111 -2.9695 -2.9695 -2.8008 -2.8008 -2.7156 -2.7156 -0.1077 -0.1077 -0.0736 -0.0736 -0.0039 -0.0039 0.9315 0.9315 1.0564 1.0564 1.3240 1.3240 1.4315 1.4315 2.5639 2.5639 4.6160 4.6160 4.7639 4.7639 4.8114 4.8114 4.9078 4.9078 5.4633 5.4633 5.5361 5.5361 5.8726 5.8726 6.0062 6.0062 6.4301 6.4301 6.6140 6.6140 11.5604 11.5604 12.7054 12.7054 12.7696 12.7696 13.6299 13.6299 13.6674 13.6674 13.9691 13.9691 k = 0.3571 0.2062-0.0000 ( 4981 PWs) bands (ev): -18.1451 -18.1451 -18.0594 -18.0594 -15.3026 -15.3026 -14.9219 -14.9219 -11.9606 -11.9606 -11.9175 -11.9175 -11.7448 -11.7448 -11.7265 -11.7265 -4.8528 -4.8528 -4.6755 -4.6755 -3.0919 -3.0919 -2.9457 -2.9457 -2.7865 -2.7865 -2.7171 -2.7171 -0.0792 -0.0792 -0.0382 -0.0382 -0.0046 -0.0046 0.8986 0.8986 1.0256 1.0256 1.3109 1.3109 1.4157 1.4157 2.5654 2.5654 4.6101 4.6101 4.7450 4.7450 4.7779 4.7779 4.8574 4.8574 5.4440 5.4440 5.5230 5.5230 5.8699 5.8699 6.0101 6.0101 6.4241 6.4241 6.6045 6.6045 11.5390 11.5390 12.7470 12.7470 12.7996 12.7996 13.6082 13.6082 13.7362 13.7362 14.0080 14.0080 k = 0.3714 0.2144-0.0000 ( 4981 PWs) bands (ev): -18.1392 -18.1392 -18.0592 -18.0592 -15.3106 -15.3106 -14.9267 -14.9267 -11.9624 -11.9624 -11.9176 -11.9176 -11.7467 -11.7467 -11.7276 -11.7276 -4.8374 -4.8374 -4.6737 -4.6737 -3.0733 -3.0733 -2.9243 -2.9243 -2.7722 -2.7722 -2.7186 -2.7186 -0.0629 -0.0629 -0.0157 -0.0157 0.0166 0.0166 0.8674 0.8674 0.9969 0.9969 1.2988 1.2988 1.4008 1.4008 2.5669 2.5669 4.6047 4.6047 4.7023 4.7023 4.7653 4.7653 4.8158 4.8158 5.4264 5.4264 5.5111 5.5111 5.8674 5.8674 6.0138 6.0138 6.4185 6.4185 6.5955 6.5955 11.5193 11.5193 12.7798 12.7798 12.8368 12.8368 13.5846 13.5846 13.7929 13.7929 14.0595 14.0595 k = 0.3857 0.2227-0.0000 ( 4983 PWs) bands (ev): -18.1334 -18.1334 -18.0593 -18.0593 -15.3180 -15.3180 -14.9311 -14.9311 -11.9640 -11.9640 -11.9176 -11.9176 -11.7484 -11.7484 -11.7286 -11.7286 -4.8228 -4.8228 -4.6727 -4.6727 -3.0555 -3.0555 -2.9056 -2.9056 -2.7581 -2.7581 -2.7199 -2.7199 -0.0615 -0.0615 0.0063 0.0063 0.0491 0.0491 0.8383 0.8383 0.9705 0.9705 1.2875 1.2875 1.3869 1.3869 2.5682 2.5682 4.5997 4.5997 4.6590 4.6590 4.7394 4.7394 4.7955 4.7955 5.4104 5.4104 5.5005 5.5005 5.8650 5.8650 6.0171 6.0171 6.4134 6.4134 6.5872 6.5872 11.5013 11.5013 12.8042 12.8042 12.8801 12.8801 13.5598 13.5598 13.8353 13.8353 14.1245 14.1245 k = 0.4000 0.2309-0.0000 ( 4986 PWs) bands (ev): -18.1281 -18.1281 -18.0596 -18.0596 -15.3247 -15.3247 -14.9351 -14.9351 -11.9655 -11.9655 -11.9176 -11.9176 -11.7500 -11.7500 -11.7295 -11.7295 -4.8091 -4.8091 -4.6722 -4.6722 -3.0388 -3.0388 -2.8898 -2.8898 -2.7445 -2.7445 -2.7210 -2.7210 -0.0663 -0.0663 0.0305 0.0305 0.0810 0.0810 0.8117 0.8117 0.9468 0.9468 1.2774 1.2774 1.3742 1.3742 2.5694 2.5694 4.5953 4.5953 4.6193 4.6193 4.7023 4.7023 4.7908 4.7908 5.3962 5.3962 5.4912 5.4912 5.8628 5.8628 6.0200 6.0200 6.4087 6.4087 6.5796 6.5796 11.4851 11.4851 12.8238 12.8238 12.9258 12.9258 13.5339 13.5339 13.8656 13.8656 14.2003 14.2003 k = 0.4143 0.2392-0.0000 ( 4982 PWs) bands (ev): -18.1231 -18.1231 -18.0600 -18.0600 -15.3305 -15.3305 -14.9386 -14.9386 -11.9668 -11.9668 -11.9176 -11.9176 -11.7514 -11.7514 -11.7303 -11.7303 -4.7963 -4.7963 -4.6724 -4.6724 -3.0233 -3.0233 -2.8770 -2.8770 -2.7316 -2.7316 -2.7218 -2.7218 -0.0724 -0.0724 0.0536 0.0536 0.1101 0.1101 0.7878 0.7878 0.9258 0.9258 1.2684 1.2684 1.3628 1.3628 2.5705 2.5705 4.5838 4.5838 4.5915 4.5915 4.6657 4.6657 4.7902 4.7902 5.3839 5.3839 5.4831 5.4831 5.8608 5.8608 6.0226 6.0226 6.4045 6.4045 6.5728 6.5728 11.4710 11.4710 12.8401 12.8401 12.9715 12.9715 13.5071 13.5071 13.8873 13.8873 14.2828 14.2828 k = 0.4286 0.2474-0.0000 ( 4982 PWs) bands (ev): -18.1186 -18.1186 -18.0605 -18.0605 -15.3356 -15.3356 -14.9416 -14.9416 -11.9679 -11.9679 -11.9176 -11.9176 -11.7525 -11.7525 -11.7310 -11.7310 -4.7848 -4.7848 -4.6731 -4.6731 -3.0094 -3.0094 -2.8670 -2.8670 -2.7227 -2.7227 -2.7195 -2.7195 -0.0784 -0.0784 0.0743 0.0743 0.1356 0.1356 0.7671 0.7671 0.9077 0.9077 1.2607 1.2607 1.3528 1.3528 2.5715 2.5715 4.5534 4.5534 4.5881 4.5881 4.6328 4.6328 4.7906 4.7906 5.3733 5.3733 5.4763 5.4763 5.8590 5.8590 6.0249 6.0249 6.4009 6.4009 6.5670 6.5670 11.4588 11.4588 12.8537 12.8537 13.0161 13.0161 13.4795 13.4795 13.9031 13.9031 14.3689 14.3689 k = 0.4429 0.2557-0.0000 ( 4982 PWs) bands (ev): -18.1147 -18.1147 -18.0612 -18.0612 -15.3398 -15.3398 -14.9441 -14.9441 -11.9689 -11.9689 -11.9176 -11.9176 -11.7535 -11.7535 -11.7315 -11.7315 -4.7747 -4.7747 -4.6743 -4.6743 -2.9974 -2.9974 -2.8597 -2.8597 -2.7230 -2.7230 -2.7093 -2.7093 -0.0836 -0.0836 0.0918 0.0918 0.1570 0.1570 0.7497 0.7497 0.8926 0.8926 1.2543 1.2543 1.3445 1.3445 2.5722 2.5722 4.5281 4.5281 4.5854 4.5854 4.6049 4.6049 4.7913 4.7913 5.3647 5.3647 5.4707 5.4707 5.8576 5.8576 6.0267 6.0267 6.3979 6.3979 6.5621 6.5621 11.4488 11.4488 12.8649 12.8649 13.0584 13.0584 13.4517 13.4517 13.9147 13.9147 14.4559 14.4559 k = 0.4571 0.2639-0.0000 ( 4982 PWs) bands (ev): -18.1115 -18.1115 -18.0618 -18.0618 -15.3432 -15.3432 -14.9461 -14.9461 -11.9696 -11.9696 -11.9176 -11.9176 -11.7543 -11.7543 -11.7320 -11.7320 -4.7663 -4.7663 -4.6757 -4.6757 -2.9875 -2.9875 -2.8546 -2.8546 -2.7231 -2.7231 -2.7008 -2.7008 -0.0879 -0.0879 0.1058 0.1058 0.1740 0.1740 0.7359 0.7359 0.8808 0.8808 1.2493 1.2493 1.3378 1.3378 2.5729 2.5729 4.5082 4.5082 4.5822 4.5822 4.5836 4.5836 4.7920 4.7920 5.3580 5.3580 5.4664 5.4664 5.8564 5.8564 6.0281 6.0281 6.3956 6.3956 6.5582 6.5582 11.4409 11.4409 12.8736 12.8736 13.0970 13.0970 13.4247 13.4247 13.9231 13.9231 14.5031 14.5031 k = 0.4714 0.2722-0.0000 ( 4986 PWs) bands (ev): -18.1091 -18.1091 -18.0624 -18.0624 -15.3455 -15.3455 -14.9475 -14.9475 -11.9701 -11.9701 -11.9176 -11.9176 -11.7549 -11.7549 -11.7323 -11.7323 -4.7599 -4.7599 -4.6770 -4.6770 -2.9801 -2.9801 -2.8514 -2.8514 -2.7231 -2.7231 -2.6946 -2.6946 -0.0910 -0.0910 0.1160 0.1160 0.1863 0.1863 0.7259 0.7259 0.8723 0.8723 1.2457 1.2457 1.3330 1.3330 2.5733 2.5733 4.4940 4.4940 4.5662 4.5662 4.5817 4.5817 4.7925 4.7925 5.3532 5.3532 5.4633 5.4633 5.8556 5.8556 6.0292 6.0292 6.3939 6.3939 6.5554 6.5554 11.4353 11.4353 12.8799 12.8799 13.1298 13.1298 13.4004 13.4004 13.9288 13.9288 14.4984 14.4984 k = 0.4857 0.2804-0.0000 ( 4978 PWs) bands (ev): -18.1076 -18.1076 -18.0628 -18.0628 -15.3470 -15.3470 -14.9484 -14.9484 -11.9704 -11.9704 -11.9176 -11.9176 -11.7552 -11.7552 -11.7325 -11.7325 -4.7559 -4.7559 -4.6780 -4.6780 -2.9755 -2.9755 -2.8496 -2.8496 -2.7231 -2.7231 -2.6907 -2.6907 -0.0928 -0.0928 0.1221 0.1221 0.1938 0.1938 0.7198 0.7198 0.8672 0.8672 1.2435 1.2435 1.3300 1.3300 2.5736 2.5736 4.4854 4.4854 4.5562 4.5562 4.5807 4.5807 4.7929 4.7929 5.3503 5.3503 5.4614 5.4614 5.8551 5.8551 6.0298 6.0298 6.3929 6.3929 6.5537 6.5537 11.4319 11.4319 12.8836 12.8836 13.1530 13.1530 13.3823 13.3823 13.9322 13.9322 14.4951 14.4951 k = 0.5000 0.2887-0.0000 ( 4972 PWs) bands (ev): -18.1071 -18.1071 -18.0629 -18.0629 -15.3475 -15.3475 -14.9487 -14.9487 -11.9705 -11.9705 -11.9176 -11.9176 -11.7553 -11.7553 -11.7325 -11.7325 -4.7545 -4.7545 -4.6784 -4.6784 -2.9739 -2.9739 -2.8491 -2.8491 -2.7231 -2.7231 -2.6894 -2.6894 -0.0935 -0.0935 0.1242 0.1242 0.1963 0.1963 0.7178 0.7178 0.8655 0.8655 1.2428 1.2428 1.3290 1.3290 2.5736 2.5736 4.4825 4.4825 4.5529 4.5529 4.5804 4.5804 4.7930 4.7930 5.3493 5.3493 5.4608 5.4608 5.8549 5.8549 6.0300 6.0300 6.3926 6.3926 6.5531 6.5531 11.4308 11.4308 12.8849 12.8849 13.1617 13.1617 13.3754 13.3754 13.9333 13.9333 14.4940 14.4941 k = 0.5000 0.2887-0.0000 ( 4972 PWs) bands (ev): -18.1071 -18.1071 -18.0629 -18.0629 -15.3475 -15.3475 -14.9487 -14.9487 -11.9705 -11.9705 -11.9176 -11.9176 -11.7553 -11.7553 -11.7325 -11.7325 -4.7545 -4.7545 -4.6784 -4.6784 -2.9739 -2.9739 -2.8491 -2.8491 -2.7231 -2.7231 -2.6894 -2.6894 -0.0935 -0.0935 0.1242 0.1242 0.1963 0.1963 0.7178 0.7178 0.8655 0.8655 1.2428 1.2428 1.3290 1.3290 2.5736 2.5736 4.4825 4.4825 4.5529 4.5529 4.5804 4.5804 4.7930 4.7930 5.3493 5.3493 5.4608 5.4608 5.8549 5.8549 6.0300 6.0300 6.3926 6.3926 6.5531 6.5531 11.4308 11.4308 12.8849 12.8849 13.1617 13.1617 13.3754 13.3754 13.9333 13.9333 14.4940 14.4940 k = 0.4917 0.3031-0.0000 ( 4976 PWs) bands (ev): -18.1070 -18.1070 -18.0629 -18.0629 -15.3476 -15.3476 -14.9487 -14.9487 -11.9708 -11.9708 -11.9181 -11.9181 -11.7549 -11.7549 -11.7322 -11.7322 -4.7544 -4.7544 -4.6781 -4.6781 -2.9743 -2.9743 -2.8482 -2.8482 -2.7227 -2.7227 -2.6889 -2.6889 -0.0938 -0.0938 0.1246 0.1246 0.1970 0.1970 0.7165 0.7165 0.8627 0.8627 1.2447 1.2447 1.3297 1.3297 2.5737 2.5737 4.4831 4.4831 4.5533 4.5533 4.5808 4.5808 4.7926 4.7926 5.3491 5.3491 5.4599 5.4599 5.8553 5.8553 6.0297 6.0297 6.3903 6.3903 6.5518 6.5518 11.4280 11.4280 12.8903 12.8903 13.1627 13.1627 13.3764 13.3764 13.9336 13.9336 14.4954 14.4954 k = 0.4833 0.3175-0.0000 ( 4968 PWs) bands (ev): -18.1066 -18.1066 -18.0629 -18.0629 -15.3481 -15.3481 -14.9490 -14.9490 -11.9717 -11.9717 -11.9196 -11.9196 -11.7538 -11.7538 -11.7312 -11.7312 -4.7542 -4.7542 -4.6773 -4.6773 -2.9756 -2.9756 -2.8455 -2.8455 -2.7214 -2.7214 -2.6875 -2.6875 -0.0947 -0.0947 0.1256 0.1256 0.1990 0.1990 0.7126 0.7126 0.8547 0.8547 1.2500 1.2500 1.3315 1.3315 2.5738 2.5738 4.4847 4.4847 4.5545 4.5545 4.5820 4.5820 4.7915 4.7915 5.3484 5.3484 5.4573 5.4573 5.8564 5.8564 6.0289 6.0289 6.3835 6.3835 6.5478 6.5478 11.4199 11.4199 12.9063 12.9063 13.1656 13.1656 13.3794 13.3794 13.9344 13.9344 14.4995 14.4995 k = 0.4750 0.3320-0.0000 ( 4972 PWs) bands (ev): -18.1061 -18.1061 -18.0628 -18.0628 -15.3490 -15.3490 -14.9493 -14.9493 -11.9731 -11.9731 -11.9220 -11.9220 -11.7519 -11.7519 -11.7297 -11.7297 -4.7539 -4.7539 -4.6760 -4.6760 -2.9775 -2.9775 -2.8414 -2.8414 -2.7194 -2.7194 -2.6851 -2.6851 -0.0961 -0.0961 0.1272 0.1272 0.2023 0.2023 0.7062 0.7062 0.8419 0.8419 1.2582 1.2582 1.3345 1.3345 2.5740 2.5740 4.4873 4.4873 4.5566 4.5566 4.5840 4.5840 4.7897 4.7897 5.3472 5.3472 5.4529 5.4529 5.8582 5.8582 6.0275 6.0275 6.3725 6.3725 6.5413 6.5413 11.4068 11.4068 12.9323 12.9323 13.1704 13.1704 13.3842 13.3842 13.9358 13.9358 14.5062 14.5062 k = 0.4667 0.3464-0.0000 ( 4974 PWs) bands (ev): -18.1053 -18.1053 -18.0627 -18.0627 -15.3501 -15.3501 -14.9499 -14.9499 -11.9750 -11.9750 -11.9252 -11.9252 -11.7495 -11.7495 -11.7277 -11.7277 -4.7534 -4.7534 -4.6742 -4.6742 -2.9797 -2.9797 -2.8361 -2.8361 -2.7165 -2.7165 -2.6819 -2.6819 -0.0981 -0.0981 0.1295 0.1295 0.2068 0.2068 0.6976 0.6976 0.8252 0.8252 1.2686 1.2686 1.3383 1.3383 2.5742 2.5742 4.4909 4.4909 4.5593 4.5593 4.5867 4.5867 4.7872 4.7872 5.3456 5.3456 5.4470 5.4470 5.8608 5.8608 6.0257 6.0257 6.3573 6.3573 6.5325 6.5325 11.3896 11.3896 12.9677 12.9677 13.1771 13.1771 13.3908 13.3908 13.9378 13.9378 14.5153 14.5153 k = 0.4583 0.3608-0.0000 ( 4962 PWs) bands (ev): -18.1042 -18.1042 -18.0627 -18.0627 -15.3515 -15.3515 -14.9505 -14.9505 -11.9772 -11.9772 -11.9292 -11.9292 -11.7464 -11.7464 -11.7252 -11.7252 -4.7527 -4.7527 -4.6721 -4.6721 -2.9821 -2.9821 -2.8300 -2.8300 -2.7128 -2.7128 -2.6778 -2.6778 -0.1006 -0.1006 0.1325 0.1325 0.2125 0.2125 0.6871 0.6871 0.8055 0.8055 1.2804 1.2804 1.3429 1.3429 2.5745 2.5745 4.4955 4.4955 4.5626 4.5626 4.5902 4.5902 4.7840 4.7840 5.3433 5.3433 5.4397 5.4397 5.8640 5.8640 6.0233 6.0233 6.3384 6.3384 6.5216 6.5216 11.3689 11.3689 13.0115 13.0115 13.1858 13.1858 13.3989 13.3989 13.9402 13.9402 14.5266 14.5266 k = 0.4500 0.3753-0.0000 ( 4972 PWs) bands (ev): -18.1030 -18.1030 -18.0626 -18.0626 -15.3532 -15.3532 -14.9513 -14.9513 -11.9798 -11.9798 -11.9337 -11.9337 -11.7430 -11.7430 -11.7225 -11.7225 -4.7518 -4.7518 -4.6696 -4.6696 -2.9844 -2.9844 -2.8235 -2.8235 -2.7083 -2.7083 -2.6729 -2.6729 -0.1035 -0.1035 0.1360 0.1360 0.2193 0.2193 0.6750 0.6750 0.7836 0.7836 1.2929 1.2929 1.3479 1.3479 2.5749 2.5749 4.5009 4.5009 4.5665 4.5665 4.5943 4.5943 4.7801 4.7801 5.3402 5.3402 5.4314 5.4314 5.8678 5.8678 6.0204 6.0204 6.3163 6.3163 6.5090 6.5090 11.3458 11.3458 13.0625 13.0625 13.1965 13.1965 13.4081 13.4081 13.9431 13.9431 14.5396 14.5396 k = 0.4417 0.3897-0.0000 ( 4980 PWs) bands (ev): -18.1016 -18.1016 -18.0626 -18.0626 -15.3551 -15.3551 -14.9522 -14.9522 -11.9825 -11.9825 -11.9385 -11.9385 -11.7393 -11.7393 -11.7197 -11.7197 -4.7508 -4.7508 -4.6668 -4.6668 -2.9864 -2.9864 -2.8169 -2.8169 -2.7030 -2.7030 -2.6672 -2.6672 -0.1069 -0.1069 0.1401 0.1401 0.2270 0.2270 0.6618 0.6618 0.7601 0.7601 1.3055 1.3055 1.3531 1.3531 2.5753 2.5753 4.5070 4.5070 4.5708 4.5708 4.5991 4.5991 4.7757 4.7757 5.3362 5.3362 5.4222 5.4222 5.8722 5.8722 6.0171 6.0171 6.2913 6.2913 6.4950 6.4950 11.3210 11.3210 13.1190 13.1190 13.2100 13.2100 13.4183 13.4183 13.9464 13.9464 14.5540 14.5540 k = 0.4333 0.4041-0.0000 ( 4976 PWs) bands (ev): -18.1000 -18.1000 -18.0626 -18.0626 -15.3572 -15.3572 -14.9532 -14.9532 -11.9852 -11.9852 -11.9437 -11.9437 -11.7353 -11.7353 -11.7168 -11.7168 -4.7495 -4.7495 -4.6639 -4.6639 -2.9881 -2.9881 -2.8105 -2.8105 -2.6971 -2.6971 -2.6608 -2.6608 -0.1105 -0.1105 0.1448 0.1448 0.2355 0.2355 0.6477 0.6477 0.7358 0.7358 1.3178 1.3178 1.3584 1.3584 2.5757 2.5757 4.5138 4.5138 4.5754 4.5754 4.6044 4.6044 4.7706 4.7706 5.3311 5.3311 5.4128 5.4128 5.8771 5.8771 6.0134 6.0134 6.2642 6.2642 6.4800 6.4800 11.2955 11.2955 13.1764 13.1764 13.2298 13.2298 13.4290 13.4290 13.9501 13.9501 14.5684 14.5684 k = 0.4250 0.4186-0.0000 ( 4978 PWs) bands (ev): -18.0982 -18.0982 -18.0627 -18.0627 -15.3594 -15.3594 -14.9542 -14.9542 -11.9879 -11.9879 -11.9490 -11.9490 -11.7313 -11.7313 -11.7139 -11.7139 -4.7479 -4.7479 -4.6610 -4.6610 -2.9893 -2.9893 -2.8044 -2.8044 -2.6907 -2.6907 -2.6539 -2.6539 -0.1145 -0.1145 0.1500 0.1500 0.2447 0.2447 0.6332 0.6332 0.7112 0.7112 1.3294 1.3294 1.3634 1.3634 2.5762 2.5762 4.5211 4.5211 4.5800 4.5800 4.6102 4.6102 4.7651 4.7651 5.3247 5.3247 5.4034 5.4034 5.8824 5.8824 6.0092 6.0092 6.2356 6.2356 6.4645 6.4645 11.2698 11.2698 13.2174 13.2174 13.2724 13.2724 13.4398 13.4398 13.9540 13.9540 14.5524 14.5524 k = 0.4167 0.4330-0.0000 ( 4967 PWs) bands (ev): -18.0963 -18.0963 -18.0628 -18.0628 -15.3617 -15.3617 -14.9553 -14.9553 -11.9905 -11.9905 -11.9544 -11.9544 -11.7273 -11.7273 -11.7112 -11.7112 -4.7462 -4.7462 -4.6580 -4.6580 -2.9901 -2.9901 -2.7987 -2.7987 -2.6840 -2.6840 -2.6465 -2.6465 -0.1185 -0.1185 0.1556 0.1556 0.2543 0.2543 0.6185 0.6185 0.6868 0.6868 1.3400 1.3400 1.3682 1.3682 2.5767 2.5767 4.5288 4.5288 4.5845 4.5845 4.6165 4.6165 4.7590 4.7590 5.3169 5.3169 5.3945 5.3945 5.8882 5.8882 6.0047 6.0047 6.2062 6.2062 6.4488 6.4488 11.2446 11.2446 13.2396 13.2396 13.3393 13.3393 13.4502 13.4502 13.9583 13.9583 14.5160 14.5160 k = 0.4083 0.4474-0.0000 ( 4967 PWs) bands (ev): -18.0942 -18.0942 -18.0631 -18.0631 -15.3641 -15.3641 -14.9565 -14.9565 -11.9929 -11.9929 -11.9596 -11.9596 -11.7233 -11.7233 -11.7087 -11.7087 -4.7443 -4.7443 -4.6551 -4.6551 -2.9904 -2.9904 -2.7936 -2.7936 -2.6772 -2.6772 -2.6387 -2.6387 -0.1227 -0.1227 0.1616 0.1616 0.2642 0.2642 0.6042 0.6042 0.6630 0.6630 1.3494 1.3494 1.3725 1.3725 2.5772 2.5772 4.5366 4.5366 4.5887 4.5887 4.6231 4.6231 4.7526 4.7526 5.3077 5.3077 5.3863 5.3863 5.8942 5.8942 5.9999 5.9999 6.1768 6.1768 6.4334 6.4334 11.2206 11.2206 13.2580 13.2580 13.4146 13.4146 13.4598 13.4598 13.9626 13.9626 14.4792 14.4792 k = 0.4000 0.4619-0.0000 ( 4965 PWs) bands (ev): -18.0921 -18.0921 -18.0634 -18.0634 -15.3664 -15.3664 -14.9576 -14.9576 -11.9951 -11.9951 -11.9647 -11.9647 -11.7196 -11.7196 -11.7065 -11.7065 -4.7423 -4.7423 -4.6524 -4.6524 -2.9902 -2.9902 -2.7891 -2.7891 -2.6704 -2.6704 -2.6308 -2.6308 -0.1268 -0.1268 0.1678 0.1678 0.2741 0.2741 0.5903 0.5903 0.6402 0.6402 1.3574 1.3574 1.3765 1.3765 2.5777 2.5777 4.5443 4.5443 4.5923 4.5923 4.6299 4.6299 4.7458 4.7458 5.2976 5.2976 5.3790 5.3790 5.9005 5.9005 5.9948 5.9948 6.1481 6.1481 6.4185 6.4185 11.1980 11.1980 13.2760 13.2760 13.4681 13.4681 13.4942 13.4942 13.9671 13.9671 14.4426 14.4426 k = 0.3917 0.4763-0.0000 ( 4957 PWs) bands (ev): -18.0898 -18.0898 -18.0639 -18.0639 -15.3687 -15.3687 -14.9587 -14.9587 -11.9969 -11.9969 -11.9695 -11.9695 -11.7160 -11.7160 -11.7046 -11.7046 -4.7402 -4.7402 -4.6498 -4.6498 -2.9897 -2.9897 -2.7851 -2.7851 -2.6639 -2.6639 -2.6230 -2.6230 -0.1308 -0.1308 0.1742 0.1742 0.2838 0.2838 0.5773 0.5773 0.6188 0.6188 1.3640 1.3640 1.3801 1.3801 2.5782 2.5782 4.5519 4.5519 4.5953 4.5953 4.6370 4.6370 4.7387 4.7387 5.2869 5.2869 5.3723 5.3723 5.9069 5.9069 5.9895 5.9895 6.1210 6.1210 6.4047 6.4047 11.1774 11.1774 13.2944 13.2944 13.4747 13.4747 13.5767 13.5767 13.9716 13.9716 14.4063 14.4063 k = 0.3833 0.4907-0.0000 ( 4969 PWs) bands (ev): -18.0875 -18.0875 -18.0646 -18.0646 -15.3709 -15.3709 -14.9598 -14.9598 -11.9985 -11.9985 -11.9739 -11.9739 -11.7128 -11.7128 -11.7030 -11.7030 -4.7380 -4.7380 -4.6476 -4.6476 -2.9889 -2.9889 -2.7816 -2.7816 -2.6579 -2.6579 -2.6155 -2.6155 -0.1346 -0.1346 0.1804 0.1804 0.2931 0.2931 0.5653 0.5653 0.5993 0.5993 1.3690 1.3690 1.3833 1.3833 2.5786 2.5786 4.5589 4.5589 4.5974 4.5974 4.6442 4.6442 4.7314 4.7314 5.2764 5.2764 5.3663 5.3663 5.9134 5.9134 5.9839 5.9839 6.0962 6.0962 6.3922 6.3922 11.1590 11.1590 13.3133 13.3133 13.4789 13.4789 13.6614 13.6614 13.9759 13.9759 14.3703 14.3703 k = 0.3750 0.5052-0.0000 ( 4965 PWs) bands (ev): -18.0851 -18.0851 -18.0655 -18.0655 -15.3729 -15.3729 -14.9608 -14.9608 -11.9997 -11.9997 -11.9779 -11.9779 -11.7099 -11.7099 -11.7018 -11.7018 -4.7359 -4.7359 -4.6456 -4.6456 -2.9878 -2.9878 -2.7788 -2.7788 -2.6524 -2.6524 -2.6085 -2.6085 -0.1380 -0.1380 0.1865 0.1865 0.3017 0.3017 0.5547 0.5547 0.5818 0.5818 1.3726 1.3726 1.3862 1.3862 2.5791 2.5791 4.5652 4.5652 4.5986 4.5986 4.6515 4.6515 4.7239 4.7239 5.2666 5.2666 5.3608 5.3608 5.9198 5.9198 5.9783 5.9783 6.0744 6.0744 6.3812 6.3812 11.1431 11.1431 13.3325 13.3325 13.4804 13.4804 13.7477 13.7477 13.9800 13.9800 14.3347 14.3347 k = 0.3667 0.5196-0.0000 ( 4973 PWs) bands (ev): -18.0827 -18.0827 -18.0665 -18.0665 -15.3746 -15.3746 -14.9617 -14.9617 -12.0005 -12.0005 -11.9814 -11.9814 -11.7074 -11.7074 -11.7009 -11.7009 -4.7339 -4.7339 -4.6441 -4.6440 -2.9866 -2.9866 -2.7764 -2.7764 -2.6478 -2.6478 -2.6023 -2.6023 -0.1410 -0.1410 0.1920 0.1920 0.3094 0.3094 0.5455 0.5455 0.5669 0.5669 1.3750 1.3750 1.3887 1.3887 2.5794 2.5794 4.5706 4.5706 4.5990 4.5990 4.6588 4.6588 4.7165 4.7165 5.2579 5.2579 5.3558 5.3558 5.9263 5.9263 5.9725 5.9725 6.0560 6.0560 6.3720 6.3720 11.1298 11.1298 13.3521 13.3521 13.4786 13.4786 13.8348 13.8348 13.9839 13.9839 14.2995 14.2995 k = 0.3583 0.5340-0.0000 ( 4961 PWs) bands (ev): -18.0803 -18.0803 -18.0678 -18.0678 -15.3761 -15.3761 -14.9624 -14.9624 -12.0010 -12.0010 -11.9843 -11.9843 -11.7052 -11.7052 -11.7004 -11.7004 -4.7322 -4.7322 -4.6428 -4.6428 -2.9855 -2.9855 -2.7746 -2.7746 -2.6439 -2.6439 -2.5971 -2.5971 -0.1436 -0.1436 0.1968 0.1968 0.3158 0.3158 0.5380 0.5380 0.5550 0.5550 1.3764 1.3764 1.3906 1.3906 2.5797 2.5797 4.5749 4.5749 4.5988 4.5988 4.6660 4.6660 4.7090 4.7090 5.2509 5.2509 5.3515 5.3515 5.9325 5.9325 5.9668 5.9668 6.0415 6.0415 6.3647 6.3647 11.1194 11.1194 13.3718 13.3718 13.4733 13.4733 13.9221 13.9221 13.9873 13.9873 14.2647 14.2647 k = 0.3500 0.5485-0.0000 ( 4955 PWs) bands (ev): -18.0779 -18.0779 -18.0693 -18.0693 -15.3772 -15.3772 -14.9630 -14.9630 -12.0013 -12.0013 -11.9864 -11.9864 -11.7035 -11.7035 -11.7003 -11.7003 -4.7308 -4.7308 -4.6420 -4.6420 -2.9845 -2.9845 -2.7733 -2.7733 -2.6411 -2.6411 -2.5931 -2.5931 -0.1454 -0.1454 0.2006 0.2006 0.3208 0.3208 0.5322 0.5322 0.5463 0.5463 1.3772 1.3772 1.3919 1.3919 2.5800 2.5800 4.5778 4.5778 4.5982 4.5982 4.6731 4.6731 4.7018 4.7018 5.2458 5.2458 5.3480 5.3480 5.9386 5.9386 5.9611 5.9611 6.0312 6.0312 6.3594 6.3594 11.1119 11.1119 13.3917 13.3917 13.4641 13.4641 13.9893 13.9893 14.0091 14.0091 14.2309 14.2309 k = 0.3417 0.5629-0.0000 ( 4951 PWs) bands (ev): -18.0755 -18.0755 -18.0711 -18.0711 -15.3779 -15.3779 -14.9633 -14.9633 -12.0015 -12.0015 -11.9878 -11.9878 -11.7022 -11.7022 -11.7005 -11.7005 -4.7298 -4.7298 -4.6415 -4.6415 -2.9837 -2.9837 -2.7726 -2.7726 -2.6393 -2.6393 -2.5906 -2.5906 -0.1466 -0.1466 0.2030 0.2030 0.3239 0.3239 0.5285 0.5285 0.5411 0.5411 1.3775 1.3775 1.3926 1.3926 2.5801 2.5801 4.5793 4.5793 4.5976 4.5976 4.6799 4.6799 4.6949 4.6949 5.2427 5.2427 5.3457 5.3457 5.9443 5.9443 5.9555 5.9555 6.0250 6.0250 6.3562 6.3562 11.1073 11.1073 13.4114 13.4114 13.4509 13.4509 13.9916 13.9916 14.0888 14.0888 14.2006 14.2006 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3781 -15.3781 -14.9634 -14.9634 -12.0015 -12.0015 -11.9882 -11.9882 -11.7015 -11.7015 -11.7008 -11.7008 -4.7295 -4.7295 -4.6413 -4.6413 -2.9835 -2.9835 -2.7723 -2.7723 -2.6387 -2.6387 -2.5898 -2.5898 -0.1470 -0.1470 0.2039 0.2039 0.3250 0.3250 0.5271 0.5271 0.5394 0.5394 1.3776 1.3776 1.3928 1.3928 2.5802 2.5802 4.5796 4.5796 4.5974 4.5974 4.6845 4.6845 4.6902 4.6902 5.2416 5.2416 5.3449 5.3449 5.9489 5.9489 5.9511 5.9511 6.0230 6.0230 6.3552 6.3552 11.1058 11.1058 13.4267 13.4267 13.4379 13.4379 13.9924 13.9924 14.1307 14.1307 14.1901 14.1901 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3781 -15.3781 -14.9634 -14.9634 -12.0015 -12.0015 -11.9882 -11.9882 -11.7015 -11.7015 -11.7008 -11.7008 -4.7295 -4.7295 -4.6413 -4.6413 -2.9835 -2.9835 -2.7723 -2.7723 -2.6387 -2.6387 -2.5898 -2.5898 -0.1470 -0.1470 0.2039 0.2039 0.3250 0.3250 0.5271 0.5271 0.5394 0.5394 1.3776 1.3776 1.3928 1.3928 2.5802 2.5802 4.5796 4.5796 4.5974 4.5974 4.6845 4.6845 4.6902 4.6902 5.2416 5.2416 5.3449 5.3449 5.9489 5.9489 5.9511 5.9511 6.0230 6.0230 6.3552 6.3552 11.1058 11.1058 13.4267 13.4267 13.4379 13.4379 13.9924 13.9924 14.1307 14.1307 14.1901 14.1901 k = 0.3250 0.5629-0.0000 ( 4959 PWs) bands (ev): -18.0756 -18.0756 -18.0710 -18.0710 -15.3779 -15.3779 -14.9633 -14.9633 -12.0015 -12.0015 -11.9878 -11.9878 -11.7021 -11.7021 -11.7005 -11.7005 -4.7299 -4.7299 -4.6415 -4.6415 -2.9838 -2.9838 -2.7726 -2.7726 -2.6394 -2.6394 -2.5907 -2.5907 -0.1466 -0.1466 0.2030 0.2030 0.3238 0.3238 0.5286 0.5286 0.5410 0.5410 1.3776 1.3776 1.3926 1.3926 2.5801 2.5801 4.5795 4.5795 4.5976 4.5976 4.6801 4.6801 4.6946 4.6946 5.2426 5.2426 5.3458 5.3458 5.9446 5.9446 5.9553 5.9553 6.0249 6.0249 6.3562 6.3562 11.1073 11.1073 13.4094 13.4094 13.4530 13.4530 13.9914 13.9914 14.1093 14.1093 14.1649 14.1649 k = 0.3167 0.5485-0.0000 ( 4951 PWs) bands (ev): -18.0783 -18.0783 -18.0690 -18.0690 -15.3771 -15.3771 -14.9629 -14.9629 -12.0013 -12.0013 -11.9865 -11.9865 -11.7033 -11.7033 -11.7004 -11.7004 -4.7312 -4.7312 -4.6419 -4.6419 -2.9849 -2.9849 -2.7734 -2.7734 -2.6412 -2.6412 -2.5934 -2.5934 -0.1453 -0.1453 0.1999 0.1999 0.3201 0.3201 0.5334 0.5334 0.5458 0.5458 1.3776 1.3776 1.3923 1.3923 2.5799 2.5799 4.5799 4.5799 4.5983 4.5983 4.6741 4.6741 4.7008 4.7008 5.2457 5.2457 5.3486 5.3486 5.9395 5.9395 5.9602 5.9602 6.0305 6.0305 6.3593 6.3593 11.1118 11.1118 13.3833 13.3833 13.4723 13.4723 13.9874 13.9874 14.0741 14.0741 14.1185 14.1185 k = 0.3083 0.5340-0.0000 ( 4963 PWs) bands (ev): -18.0814 -18.0814 -18.0670 -18.0670 -15.3757 -15.3757 -14.9622 -14.9622 -12.0009 -12.0009 -11.9846 -11.9846 -11.7047 -11.7047 -11.7006 -11.7006 -4.7334 -4.7334 -4.6425 -4.6425 -2.9868 -2.9868 -2.7747 -2.7747 -2.6443 -2.6443 -2.5982 -2.5982 -0.1430 -0.1430 0.1946 0.1946 0.3136 0.3136 0.5417 0.5417 0.5537 0.5537 1.3776 1.3776 1.3920 1.3920 2.5797 2.5797 4.5814 4.5814 4.5996 4.5996 4.6683 4.6683 4.7068 4.7068 5.2506 5.2506 5.3535 5.3535 5.9346 5.9346 5.9647 5.9647 6.0395 6.0395 6.3645 6.3645 11.1193 11.1193 13.3530 13.3530 13.4917 13.4917 13.9774 13.9774 14.0324 14.0324 14.0757 14.0757 k = 0.3000 0.5196-0.0000 ( 4967 PWs) bands (ev): -18.0847 -18.0847 -18.0652 -18.0652 -15.3737 -15.3737 -14.9611 -14.9611 -12.0002 -12.0002 -11.9821 -11.9821 -11.7063 -11.7063 -11.7011 -11.7011 -4.7368 -4.7368 -4.6432 -4.6432 -2.9898 -2.9898 -2.7768 -2.7768 -2.6486 -2.6486 -2.6048 -2.6048 -0.1398 -0.1398 0.1868 0.1868 0.3042 0.3042 0.5535 0.5535 0.5647 0.5647 1.3777 1.3777 1.3920 1.3920 2.5792 2.5792 4.5850 4.5850 4.6019 4.6019 4.6630 4.6630 4.7126 4.7126 5.2573 5.2573 5.3604 5.3604 5.9299 5.9299 5.9689 5.9689 6.0515 6.0515 6.3715 6.3715 11.1296 11.1296 13.3188 13.3188 13.5109 13.5109 13.9542 13.9542 13.9859 13.9859 14.0458 14.0458 k = 0.2917 0.5052-0.0000 ( 4961 PWs) bands (ev): -18.0885 -18.0885 -18.0635 -18.0635 -15.3711 -15.3711 -14.9597 -14.9597 -11.9992 -11.9992 -11.9791 -11.9791 -11.7080 -11.7080 -11.7019 -11.7019 -4.7413 -4.7413 -4.6441 -4.6441 -2.9939 -2.9939 -2.7796 -2.7796 -2.6541 -2.6541 -2.6133 -2.6133 -0.1356 -0.1356 0.1766 0.1766 0.2916 0.2916 0.5687 0.5687 0.5788 0.5788 1.3779 1.3779 1.3926 1.3926 2.5787 2.5787 4.5911 4.5911 4.6056 4.6056 4.6581 4.6581 4.7181 4.7181 5.2657 5.2657 5.3692 5.3692 5.9255 5.9255 5.9727 5.9727 6.0662 6.0662 6.3804 6.3804 11.1428 11.1428 13.2811 13.2811 13.5297 13.5297 13.9087 13.9087 13.9449 13.9449 14.0285 14.0285 k = 0.2833 0.4907-0.0000 ( 4969 PWs) bands (ev): -18.0925 -18.0925 -18.0620 -18.0620 -15.3678 -15.3678 -14.9579 -14.9579 -11.9978 -11.9978 -11.9757 -11.9757 -11.7099 -11.7099 -11.7030 -11.7030 -4.7471 -4.7471 -4.6452 -4.6452 -2.9992 -2.9992 -2.7833 -2.7833 -2.6606 -2.6606 -2.6235 -2.6235 -0.1304 -0.1304 0.1638 0.1638 0.2760 0.2760 0.5870 0.5870 0.5962 0.5962 1.3781 1.3781 1.3941 1.3941 2.5781 2.5781 4.6003 4.6003 4.6111 4.6111 4.6539 4.6539 4.7233 4.7233 5.2758 5.2758 5.3798 5.3798 5.9214 5.9214 5.9760 5.9760 6.0831 6.0831 6.3910 6.3910 11.1586 11.1586 13.2403 13.2403 13.5481 13.5481 13.8504 13.8504 13.9058 13.9058 14.0181 14.0181 k = 0.2750 0.4763-0.0000 ( 4977 PWs) bands (ev): -18.0969 -18.0969 -18.0607 -18.0607 -15.3638 -15.3638 -14.9557 -14.9557 -11.9960 -11.9960 -11.9721 -11.9721 -11.7118 -11.7118 -11.7042 -11.7042 -4.7541 -4.7541 -4.6464 -4.6464 -3.0059 -3.0059 -2.7882 -2.7882 -2.6681 -2.6681 -2.6350 -2.6350 -0.1242 -0.1242 0.1485 0.1485 0.2571 0.2571 0.6079 0.6079 0.6173 0.6173 1.3783 1.3783 1.3966 1.3966 2.5773 2.5773 4.6128 4.6128 4.6189 4.6189 4.6505 4.6505 4.7281 4.7281 5.2873 5.2873 5.3921 5.3921 5.9176 5.9176 5.9788 5.9788 6.1019 6.1019 6.4030 6.4030 11.1770 11.1770 13.1968 13.1968 13.5662 13.5662 13.7880 13.7880 13.8642 13.8642 14.0105 14.0105 k = 0.2667 0.4619-0.0000 ( 4963 PWs) bands (ev): -18.1015 -18.1015 -18.0596 -18.0596 -15.3591 -15.3591 -14.9532 -14.9532 -11.9939 -11.9939 -11.9682 -11.9682 -11.7138 -11.7138 -11.7056 -11.7056 -4.7624 -4.7624 -4.6478 -4.6478 -3.0138 -3.0138 -2.7948 -2.7948 -2.6766 -2.6766 -2.6475 -2.6475 -0.1171 -0.1171 0.1306 0.1306 0.2350 0.2350 0.6309 0.6309 0.6423 0.6423 1.3787 1.3787 1.4003 1.4003 2.5764 2.5764 4.6285 4.6285 4.6293 4.6293 4.6486 4.6486 4.7327 4.7327 5.3003 5.3003 5.4057 5.4057 5.9141 5.9141 5.9812 5.9812 6.1222 6.1222 6.4165 6.4165 11.1978 11.1978 13.1509 13.1509 13.5837 13.5837 13.7237 13.7237 13.8201 13.8201 14.0035 14.0035 k = 0.2583 0.4474-0.0000 ( 4959 PWs) bands (ev): -18.1065 -18.1065 -18.0587 -18.0587 -15.3538 -15.3538 -14.9502 -14.9502 -11.9915 -11.9915 -11.9642 -11.9642 -11.7158 -11.7158 -11.7071 -11.7071 -4.7719 -4.7719 -4.6494 -4.6494 -3.0232 -3.0232 -2.8033 -2.8033 -2.6862 -2.6862 -2.6600 -2.6600 -0.1092 -0.1092 0.1102 0.1102 0.2097 0.2097 0.6559 0.6559 0.6710 0.6710 1.3794 1.3794 1.4051 1.4051 2.5753 2.5753 4.6370 4.6370 4.6487 4.6487 4.6525 4.6525 4.7371 4.7371 5.3146 5.3146 5.4207 5.4207 5.9110 5.9110 5.9832 5.9832 6.1438 6.1438 6.4312 6.4312 11.2210 11.2210 13.1030 13.1030 13.6007 13.6007 13.6584 13.6584 13.7737 13.7737 13.9962 13.9962 k = 0.2500 0.4330-0.0000 ( 4961 PWs) bands (ev): -18.1118 -18.1118 -18.0581 -18.0581 -15.3478 -15.3478 -14.9469 -14.9469 -11.9887 -11.9887 -11.9601 -11.9601 -11.7177 -11.7177 -11.7086 -11.7086 -4.7825 -4.7825 -4.6513 -4.6513 -3.0338 -3.0338 -2.8144 -2.8144 -2.6973 -2.6973 -2.6716 -2.6716 -0.1004 -0.1004 0.0874 0.0874 0.1813 0.1813 0.6830 0.6830 0.7031 0.7031 1.3804 1.3804 1.4110 1.4110 2.5742 2.5742 4.6387 4.6387 4.6653 4.6653 4.6739 4.6739 4.7417 4.7417 5.3301 5.3301 5.4367 5.4367 5.9082 5.9082 5.9846 5.9846 6.1663 6.1663 6.4469 6.4469 11.2462 11.2462 13.0534 13.0534 13.5913 13.5913 13.6182 13.6182 13.7251 13.7251 13.9884 13.9884 k = 0.2417 0.4186-0.0000 ( 4953 PWs) bands (ev): -18.1174 -18.1174 -18.0576 -18.0576 -15.3412 -15.3412 -14.9431 -14.9431 -11.9858 -11.9858 -11.9559 -11.9559 -11.7194 -11.7194 -11.7101 -11.7101 -4.7942 -4.7942 -4.6535 -4.6535 -3.0458 -3.0458 -2.8284 -2.8284 -2.7102 -2.7102 -2.6813 -2.6813 -0.0912 -0.0912 0.0625 0.0625 0.1500 0.1500 0.7121 0.7121 0.7381 0.7381 1.3821 1.3821 1.4180 1.4180 2.5729 2.5729 4.6383 4.6383 4.6852 4.6852 4.7015 4.7015 4.7472 4.7472 5.3467 5.3467 5.4537 5.4537 5.9058 5.9058 5.9856 5.9856 6.1895 6.1895 6.4635 6.4635 11.2735 11.2735 13.0026 13.0026 13.5252 13.5252 13.6339 13.6339 13.6743 13.6743 13.9798 13.9798 k = 0.2333 0.4041-0.0000 ( 4955 PWs) bands (ev): -18.1233 -18.1233 -18.0573 -18.0573 -15.3339 -15.3339 -14.9390 -14.9390 -11.9826 -11.9826 -11.9518 -11.9518 -11.7211 -11.7211 -11.7116 -11.7116 -4.8069 -4.8069 -4.6560 -4.6560 -3.0589 -3.0589 -2.8455 -2.8455 -2.7246 -2.7246 -2.6888 -2.6888 -0.0817 -0.0817 0.0360 0.0360 0.1158 0.1158 0.7432 0.7432 0.7757 0.7757 1.3843 1.3843 1.4260 1.4260 2.5715 2.5715 4.6380 4.6380 4.7074 4.7074 4.7309 4.7309 4.7570 4.7570 5.3643 5.3643 5.4716 5.4716 5.9037 5.9037 5.9862 5.9862 6.2130 6.2130 6.4807 6.4807 11.3025 11.3025 12.9507 12.9507 13.4585 13.4585 13.6214 13.6214 13.6495 13.6495 13.9703 13.9703 k = 0.2250 0.3897-0.0000 ( 4961 PWs) bands (ev): -18.1293 -18.1293 -18.0573 -18.0573 -15.3261 -15.3261 -14.9345 -14.9345 -11.9792 -11.9792 -11.9479 -11.9479 -11.7225 -11.7225 -11.7129 -11.7129 -4.8205 -4.8205 -4.6589 -4.6589 -3.0732 -3.0732 -2.8657 -2.8657 -2.7399 -2.7399 -2.6943 -2.6943 -0.0731 -0.0731 0.0089 0.0089 0.0792 0.0792 0.7762 0.7762 0.8157 0.8157 1.3872 1.3872 1.4351 1.4351 2.5700 2.5700 4.6382 4.6382 4.7263 4.7263 4.7573 4.7573 4.7809 4.7809 5.3829 5.3829 5.4902 5.4902 5.9020 5.9020 5.9863 5.9863 6.2366 6.2366 6.4985 6.4985 11.3332 11.3332 12.8981 12.8981 13.3919 13.3919 13.5665 13.5665 13.6647 13.6647 13.9599 13.9599 k = 0.2167 0.3753-0.0000 ( 4961 PWs) bands (ev): -18.1356 -18.1356 -18.0575 -18.0575 -15.3177 -15.3177 -14.9297 -14.9297 -11.9757 -11.9757 -11.9440 -11.9440 -11.7237 -11.7237 -11.7142 -11.7142 -4.8350 -4.8350 -4.6622 -4.6622 -3.0886 -3.0886 -2.8889 -2.8889 -2.7557 -2.7557 -2.6984 -2.6984 -0.0693 -0.0693 -0.0146 -0.0146 0.0403 0.0403 0.8109 0.8109 0.8576 0.8576 1.3908 1.3908 1.4451 1.4451 2.5684 2.5684 4.6391 4.6391 4.7362 4.7362 4.7867 4.7867 4.8182 4.8182 5.4023 5.4023 5.5095 5.5095 5.9006 5.9006 5.9859 5.9859 6.2601 6.2601 6.5166 6.5166 11.3654 11.3654 12.8451 12.8451 13.3257 13.3257 13.5097 13.5097 13.6794 13.6794 13.9486 13.9486 k = 0.2083 0.3608-0.0000 ( 4961 PWs) bands (ev): -18.1420 -18.1420 -18.0578 -18.0578 -15.3088 -15.3088 -14.9246 -14.9246 -11.9722 -11.9722 -11.9404 -11.9404 -11.7247 -11.7247 -11.7152 -11.7152 -4.8502 -4.8502 -4.6658 -4.6658 -3.1048 -3.1048 -2.9145 -2.9145 -2.7716 -2.7716 -2.7014 -2.7014 -0.0814 -0.0814 -0.0241 -0.0241 -0.0001 -0.0001 0.8470 0.8470 0.9012 0.9012 1.3952 1.3952 1.4560 1.4560 2.5668 2.5668 4.6406 4.6406 4.7409 4.7409 4.8227 4.8227 4.8614 4.8614 5.4226 5.4226 5.5294 5.5294 5.8995 5.8995 5.9851 5.9851 6.2833 6.2833 6.5349 6.5349 11.3989 11.3989 12.7917 12.7917 13.2600 13.2600 13.4513 13.4513 13.6935 13.6935 13.9365 13.9365 k = 0.2000 0.3464-0.0000 ( 4957 PWs) bands (ev): -18.1486 -18.1486 -18.0584 -18.0584 -15.2994 -15.2994 -14.9191 -14.9191 -11.9686 -11.9686 -11.9370 -11.9370 -11.7254 -11.7254 -11.7160 -11.7160 -4.8660 -4.8660 -4.6698 -4.6698 -3.1218 -3.1218 -2.9423 -2.9423 -2.7875 -2.7875 -2.7034 -2.7034 -0.1093 -0.1093 -0.0445 -0.0445 -0.0163 -0.0163 0.8845 0.8845 0.9461 0.9461 1.4003 1.4003 1.4677 1.4677 2.5650 2.5650 4.6427 4.6427 4.7436 4.7436 4.8635 4.8635 4.9084 4.9084 5.4435 5.4435 5.5499 5.5499 5.8988 5.8988 5.9839 5.9839 6.3060 6.3060 6.5532 6.5532 11.4335 11.4335 12.7383 12.7383 13.1952 13.1952 13.3914 13.3914 13.7072 13.7072 13.9236 13.9236 k = 0.1917 0.3320-0.0000 ( 4955 PWs) bands (ev): -18.1553 -18.1553 -18.0591 -18.0591 -15.2897 -15.2897 -14.9134 -14.9134 -11.9650 -11.9650 -11.9338 -11.9338 -11.7258 -11.7258 -11.7166 -11.7166 -4.8824 -4.8824 -4.6742 -4.6742 -3.1394 -3.1394 -2.9716 -2.9716 -2.8034 -2.8034 -2.7046 -2.7046 -0.1436 -0.1436 -0.0876 -0.0876 -0.0056 -0.0056 0.9230 0.9230 0.9919 0.9919 1.4061 1.4061 1.4802 1.4802 2.5632 2.5632 4.6455 4.6455 4.7454 4.7454 4.9082 4.9082 4.9586 4.9586 5.4652 5.4652 5.5709 5.5709 5.8983 5.8983 5.9823 5.9823 6.3280 6.3280 6.5714 6.5714 11.4691 11.4691 12.6851 12.6851 13.1314 13.1314 13.3302 13.3302 13.7204 13.7204 13.9101 13.9101 k = 0.1833 0.3175-0.0000 ( 4955 PWs) bands (ev): -18.1621 -18.1621 -18.0600 -18.0600 -15.2795 -15.2795 -14.9074 -14.9074 -11.9614 -11.9614 -11.9310 -11.9310 -11.7259 -11.7259 -11.7169 -11.7169 -4.8993 -4.8993 -4.6789 -4.6789 -3.1576 -3.1576 -3.0022 -3.0022 -2.8191 -2.8191 -2.7054 -2.7054 -0.1807 -0.1807 -0.1318 -0.1318 0.0073 0.0073 0.9623 0.9623 1.0384 1.0384 1.4127 1.4127 1.4934 1.4934 2.5614 2.5614 4.6489 4.6489 4.7466 4.7466 4.9561 4.9561 5.0115 5.0115 5.4875 5.4875 5.5923 5.5923 5.8981 5.8981 5.9802 5.9802 6.3491 6.3491 6.5893 6.5893 11.5053 11.5053 12.6322 12.6322 13.0688 13.0688 13.2682 13.2682 13.7330 13.7330 13.8959 13.8959 k = 0.1750 0.3031-0.0000 ( 4955 PWs) bands (ev): -18.1689 -18.1689 -18.0611 -18.0611 -15.2692 -15.2692 -14.9012 -14.9012 -11.9579 -11.9579 -11.9284 -11.9284 -11.7257 -11.7257 -11.7170 -11.7170 -4.9165 -4.9165 -4.6839 -4.6839 -3.1761 -3.1761 -3.0336 -3.0336 -2.8346 -2.8346 -2.7056 -2.7056 -0.2199 -0.2199 -0.1760 -0.1760 0.0212 0.0212 1.0021 1.0021 1.0850 1.0850 1.4199 1.4199 1.5072 1.5072 2.5595 2.5595 4.6528 4.6528 4.7475 4.7475 5.0068 5.0068 5.0666 5.0666 5.5103 5.5103 5.6142 5.6142 5.8981 5.8981 5.9778 5.9778 6.3694 6.3694 6.6068 6.6068 11.5422 11.5422 12.5798 12.5798 13.0077 13.0077 13.2056 13.2056 13.7451 13.7451 13.8812 13.8812 k = 0.1667 0.2887-0.0000 ( 4957 PWs) bands (ev): -18.1758 -18.1758 -18.0623 -18.0623 -15.2586 -15.2586 -14.8949 -14.8949 -11.9544 -11.9544 -11.9262 -11.9262 -11.7252 -11.7252 -11.7168 -11.7168 -4.9339 -4.9339 -4.6891 -4.6891 -3.1948 -3.1948 -3.0654 -3.0654 -2.8498 -2.8498 -2.7055 -2.7055 -0.2610 -0.2610 -0.2194 -0.2194 0.0356 0.0356 1.0423 1.0423 1.1316 1.1316 1.4278 1.4278 1.5215 1.5215 2.5575 2.5575 4.6573 4.6573 4.7482 4.7482 5.0599 5.0599 5.1234 5.1234 5.5338 5.5338 5.6365 5.6365 5.8983 5.8983 5.9750 5.9750 6.3885 6.3885 6.6238 6.6238 11.5794 11.5794 12.5280 12.5280 12.9482 12.9482 13.1428 13.1428 13.7565 13.7565 13.8662 13.8662 k = 0.1583 0.2742-0.0000 ( 4963 PWs) bands (ev): -18.1826 -18.1826 -18.0636 -18.0636 -15.2478 -15.2478 -14.8885 -14.8885 -11.9511 -11.9511 -11.9243 -11.9243 -11.7244 -11.7244 -11.7164 -11.7164 -4.9514 -4.9514 -4.6946 -4.6946 -3.2136 -3.2136 -3.0974 -3.0974 -2.8646 -2.8646 -2.7052 -2.7052 -0.3039 -0.3039 -0.2614 -0.2614 0.0502 0.0502 1.0824 1.0824 1.1776 1.1776 1.4363 1.4363 1.5362 1.5362 2.5556 2.5556 4.6623 4.6623 4.7486 4.7486 5.1147 5.1147 5.1815 5.1815 5.5579 5.5579 5.6591 5.6591 5.8987 5.8987 5.9718 5.9718 6.4065 6.4065 6.6401 6.6401 11.6168 11.6168 12.4771 12.4771 12.8906 12.8906 13.0802 13.0802 13.7672 13.7672 13.8508 13.8508 k = 0.1500 0.2598-0.0000 ( 4971 PWs) bands (ev): -18.1893 -18.1893 -18.0650 -18.0650 -15.2370 -15.2370 -14.8820 -14.8820 -11.9479 -11.9479 -11.9227 -11.9227 -11.7234 -11.7234 -11.7157 -11.7157 -4.9690 -4.9690 -4.7003 -4.7003 -3.2323 -3.2323 -3.1292 -3.1292 -2.8790 -2.8790 -2.7045 -2.7045 -0.3481 -0.3481 -0.3017 -0.3017 0.0649 0.0649 1.1224 1.1224 1.2228 1.2228 1.4453 1.4453 1.5513 1.5513 2.5537 2.5537 4.6678 4.6678 4.7490 4.7490 5.1708 5.1708 5.2404 5.2404 5.5824 5.5824 5.6820 5.6820 5.8992 5.8992 5.9683 5.9683 6.4232 6.4232 6.6557 6.6557 11.6541 11.6541 12.4272 12.4272 12.8350 12.8350 13.0181 13.0181 13.7772 13.7772 13.8353 13.8353 k = 0.1417 0.2454-0.0000 ( 4965 PWs) bands (ev): -18.1959 -18.1959 -18.0665 -18.0665 -15.2263 -15.2263 -14.8755 -14.8755 -11.9448 -11.9448 -11.9213 -11.9213 -11.7221 -11.7221 -11.7149 -11.7149 -4.9864 -4.9864 -4.7061 -4.7061 -3.2509 -3.2509 -3.1606 -3.1606 -2.8930 -2.8930 -2.7037 -2.7037 -0.3931 -0.3931 -0.3404 -0.3404 0.0795 0.0795 1.1618 1.1618 1.2667 1.2667 1.4549 1.4549 1.5667 1.5667 2.5518 2.5518 4.6736 4.6736 4.7493 4.7493 5.2277 5.2277 5.2994 5.2994 5.6076 5.6076 5.7052 5.7052 5.8999 5.8999 5.9646 5.9646 6.4386 6.4386 6.6705 6.6705 11.6911 11.6911 12.3786 12.3786 12.7817 12.7817 12.9570 12.9570 13.7863 13.7863 13.8198 13.8198 k = 0.1333 0.2309-0.0000 ( 4963 PWs) bands (ev): -18.2023 -18.2023 -18.0681 -18.0681 -15.2156 -15.2156 -14.8690 -14.8690 -11.9418 -11.9418 -11.9202 -11.9202 -11.7207 -11.7207 -11.7139 -11.7139 -5.0037 -5.0037 -4.7119 -4.7119 -3.2693 -3.2693 -3.1912 -3.1912 -2.9065 -2.9065 -2.7028 -2.7028 -0.4381 -0.4381 -0.3775 -0.3775 0.0941 0.0941 1.2005 1.2005 1.3090 1.3090 1.4650 1.4650 1.5824 1.5824 2.5499 2.5499 4.6797 4.6797 4.7495 4.7495 5.2848 5.2848 5.3581 5.3581 5.6335 5.6335 5.7286 5.7286 5.9006 5.9006 5.9605 5.9605 6.4526 6.4526 6.6844 6.6844 11.7276 11.7276 12.3312 12.3312 12.7308 12.7308 12.8972 12.8972 13.7943 13.7943 13.8045 13.8045 k = 0.1250 0.2165-0.0000 ( 4963 PWs) bands (ev): -18.2086 -18.2086 -18.0696 -18.0696 -15.2050 -15.2050 -14.8626 -14.8626 -11.9390 -11.9390 -11.9194 -11.9194 -11.7191 -11.7191 -11.7128 -11.7128 -5.0206 -5.0206 -4.7178 -4.7178 -3.2872 -3.2872 -3.2208 -3.2208 -2.9193 -2.9193 -2.7017 -2.7017 -0.4826 -0.4826 -0.4130 -0.4130 0.1083 0.1083 1.2381 1.2381 1.3491 1.3491 1.4757 1.4757 1.5982 1.5982 2.5480 2.5480 4.6861 4.6861 4.7498 4.7498 5.3414 5.3414 5.4156 5.4156 5.6601 5.6601 5.7522 5.7522 5.9014 5.9014 5.9563 5.9563 6.4652 6.4652 6.6974 6.6974 11.7634 11.7634 12.2854 12.2854 12.6824 12.6824 12.8392 12.8392 13.7892 13.7892 13.8013 13.8013 k = 0.1167 0.2021-0.0000 ( 4951 PWs) bands (ev): -18.2146 -18.2146 -18.0712 -18.0712 -15.1948 -15.1948 -14.8564 -14.8564 -11.9363 -11.9363 -11.9187 -11.9187 -11.7174 -11.7174 -11.7116 -11.7116 -5.0370 -5.0370 -4.7236 -4.7236 -3.3048 -3.3048 -3.2492 -3.2492 -2.9316 -2.9316 -2.7005 -2.7005 -0.5260 -0.5260 -0.4470 -0.4470 0.1221 0.1221 1.2744 1.2744 1.3866 1.3866 1.4871 1.4871 1.6142 1.6142 2.5462 2.5462 4.6926 4.6926 4.7500 4.7500 5.3971 5.3971 5.4713 5.4713 5.6875 5.6875 5.7759 5.7759 5.9022 5.9022 5.9519 5.9519 6.4765 6.4765 6.7094 6.7094 11.7982 11.7982 12.2413 12.2413 12.6368 12.6368 12.7832 12.7832 13.7744 13.7744 13.8069 13.8069 k = 0.1083 0.1876-0.0000 ( 4951 PWs) bands (ev): -18.2204 -18.2204 -18.0728 -18.0728 -15.1848 -15.1848 -14.8503 -14.8503 -11.9338 -11.9338 -11.9181 -11.9181 -11.7156 -11.7156 -11.7103 -11.7103 -5.0529 -5.0529 -4.7293 -4.7293 -3.3221 -3.3221 -3.2759 -3.2759 -2.9431 -2.9431 -2.6993 -2.6993 -0.5681 -0.5681 -0.4793 -0.4793 0.1355 0.1355 1.3091 1.3091 1.4208 1.4208 1.4994 1.4994 1.6303 1.6303 2.5445 2.5445 4.6992 4.6992 4.7503 4.7503 5.4511 5.4511 5.5244 5.5244 5.7161 5.7161 5.7996 5.7996 5.9030 5.9030 5.9474 5.9474 6.4864 6.4864 6.7203 6.7203 11.8317 11.8317 12.1991 12.1991 12.5941 12.5941 12.7297 12.7297 13.7600 13.7600 13.8112 13.8112 k = 0.1000 0.1732-0.0000 ( 4943 PWs) bands (ev): -18.2259 -18.2259 -18.0744 -18.0744 -15.1752 -15.1752 -14.8444 -14.8444 -11.9314 -11.9314 -11.9177 -11.9177 -11.7138 -11.7138 -11.7091 -11.7091 -5.0681 -5.0681 -4.7349 -4.7349 -3.3391 -3.3391 -3.3007 -3.3007 -2.9540 -2.9540 -2.6980 -2.6980 -0.6084 -0.6084 -0.5098 -0.5098 0.1483 0.1483 1.3420 1.3420 1.4509 1.4509 1.5131 1.5131 1.6465 1.6465 2.5428 2.5428 4.7058 4.7058 4.7506 4.7506 5.5029 5.5029 5.5740 5.5740 5.7459 5.7459 5.8232 5.8232 5.9038 5.9038 5.9429 5.9429 6.4949 6.4949 6.7303 6.7303 11.8637 11.8637 12.1589 12.1589 12.5544 12.5544 12.6789 12.6789 13.7462 13.7462 13.8139 13.8139 k = 0.0917 0.1588-0.0000 ( 4949 PWs) bands (ev): -18.2311 -18.2311 -18.0759 -18.0759 -15.1661 -15.1661 -14.8388 -14.8388 -11.9292 -11.9292 -11.9174 -11.9174 -11.7120 -11.7120 -11.7079 -11.7079 -5.0825 -5.0825 -4.7403 -4.7403 -3.3560 -3.3560 -3.3231 -3.3231 -2.9641 -2.9641 -2.6967 -2.6967 -0.6465 -0.6465 -0.5384 -0.5384 0.1605 0.1605 1.3727 1.3727 1.4761 1.4761 1.5287 1.5287 1.6628 1.6628 2.5412 2.5412 4.7123 4.7123 4.7509 4.7509 5.5518 5.5518 5.6194 5.6194 5.7772 5.7772 5.8468 5.8468 5.9046 5.9046 5.9384 5.9384 6.5021 6.5021 6.7393 6.7393 11.8938 11.8938 12.1211 12.1211 12.5179 12.5179 12.6312 12.6312 13.7330 13.7330 13.8150 13.8150 k = 0.0833 0.1443-0.0000 ( 4945 PWs) bands (ev): -18.2359 -18.2359 -18.0774 -18.0774 -15.1576 -15.1576 -14.8336 -14.8336 -11.9271 -11.9271 -11.9171 -11.9171 -11.7102 -11.7102 -11.7067 -11.7067 -5.0960 -5.0960 -4.7453 -4.7453 -3.3731 -3.3731 -3.3426 -3.3426 -2.9735 -2.9735 -2.6953 -2.6953 -0.6823 -0.6823 -0.5649 -0.5649 0.1719 0.1719 1.4010 1.4010 1.4963 1.4963 1.5461 1.5461 1.6790 1.6790 2.5398 2.5398 4.7186 4.7186 4.7513 4.7513 5.5973 5.5973 5.6601 5.6601 5.8097 5.8097 5.8701 5.8701 5.9053 5.9053 5.9340 5.9340 6.5081 6.5081 6.7473 6.7473 11.9218 11.9218 12.0857 12.0857 12.4847 12.4847 12.5870 12.5870 13.7206 13.7206 13.8145 13.8145 k = 0.0750 0.1299-0.0000 ( 4941 PWs) bands (ev): -18.2403 -18.2403 -18.0788 -18.0788 -15.1496 -15.1496 -14.8286 -14.8286 -11.9252 -11.9252 -11.9169 -11.9169 -11.7085 -11.7085 -11.7055 -11.7055 -5.1086 -5.1086 -4.7501 -4.7501 -3.3902 -3.3902 -3.3593 -3.3593 -2.9820 -2.9820 -2.6940 -2.6940 -0.7155 -0.7155 -0.5893 -0.5893 0.1825 0.1825 1.4267 1.4267 1.5125 1.5125 1.5642 1.5642 1.6951 1.6951 2.5384 2.5384 4.7246 4.7246 4.7516 4.7516 5.6387 5.6387 5.6960 5.6960 5.8428 5.8428 5.8930 5.8930 5.9061 5.9061 5.9299 5.9299 6.5130 6.5130 6.7543 6.7543 11.9474 11.9474 12.0530 12.0530 12.4549 12.4549 12.5464 12.5464 13.7092 13.7092 13.8125 13.8125 k = 0.0667 0.1155-0.0000 ( 4937 PWs) bands (ev): -18.2444 -18.2444 -18.0801 -18.0801 -15.1423 -15.1423 -14.8241 -14.8241 -11.9235 -11.9235 -11.9168 -11.9168 -11.7069 -11.7069 -11.7045 -11.7045 -5.1201 -5.1201 -4.7545 -4.7545 -3.4068 -3.4068 -3.3732 -3.3732 -2.9897 -2.9897 -2.6928 -2.6928 -0.7458 -0.7458 -0.6114 -0.6114 0.1921 0.1921 1.4493 1.4493 1.5262 1.5262 1.5814 1.5814 1.7108 1.7108 2.5371 2.5371 4.7303 4.7303 4.7520 4.7520 5.6757 5.6757 5.7275 5.7275 5.8754 5.8754 5.9064 5.9064 5.9156 5.9156 5.9263 5.9263 6.5169 6.5169 6.7604 6.7604 11.9701 11.9701 12.0232 12.0232 12.4284 12.4284 12.5098 12.5098 13.6986 13.6986 13.8092 13.8092 k = 0.0583 0.1010-0.0000 ( 4939 PWs) bands (ev): -18.2480 -18.2480 -18.0813 -18.0813 -15.1358 -15.1358 -14.8201 -14.8201 -11.9220 -11.9220 -11.9166 -11.9166 -11.7055 -11.7055 -11.7035 -11.7035 -5.1305 -5.1305 -4.7585 -4.7585 -3.4224 -3.4224 -3.3850 -3.3850 -2.9965 -2.9965 -2.6916 -2.6916 -0.7731 -0.7731 -0.6312 -0.6312 0.2009 0.2009 1.4687 1.4687 1.5386 1.5386 1.5969 1.5969 1.7258 1.7258 2.5360 2.5360 4.7355 4.7355 4.7524 4.7524 5.7078 5.7078 5.7549 5.7549 5.9042 5.9042 5.9089 5.9089 5.9220 5.9220 5.9384 5.9384 6.5200 6.5200 6.7656 6.7656 11.9884 11.9884 11.9980 11.9980 12.4053 12.4053 12.4776 12.4776 13.6891 13.6891 13.8049 13.8049 k = 0.0500 0.0866-0.0000 ( 4943 PWs) bands (ev): -18.2512 -18.2512 -18.0823 -18.0823 -15.1300 -15.1300 -14.8165 -14.8165 -11.9207 -11.9207 -11.9164 -11.9164 -11.7042 -11.7042 -11.7026 -11.7026 -5.1396 -5.1396 -4.7621 -4.7621 -3.4365 -3.4365 -3.3950 -3.3950 -3.0025 -3.0025 -2.6906 -2.6906 -0.7971 -0.7971 -0.6485 -0.6485 0.2085 0.2085 1.4848 1.4848 1.5501 1.5501 1.6101 1.6101 1.7397 1.7397 2.5350 2.5350 4.7402 4.7402 4.7528 4.7528 5.7350 5.7350 5.7788 5.7788 5.9070 5.9070 5.9177 5.9177 5.9359 5.9359 5.9593 5.9593 6.5223 6.5223 6.7700 6.7700 11.9718 11.9718 12.0079 12.0079 12.3854 12.3854 12.4498 12.4498 13.6808 13.6808 13.7998 13.7998 k = 0.0417 0.0722-0.0000 ( 4935 PWs) bands (ev): -18.2539 -18.2539 -18.0832 -18.0832 -15.1250 -15.1250 -14.8134 -14.8134 -11.9196 -11.9196 -11.9163 -11.9163 -11.7031 -11.7031 -11.7019 -11.7019 -5.1474 -5.1474 -4.7651 -4.7651 -3.4487 -3.4487 -3.4032 -3.4032 -3.0076 -3.0076 -2.6896 -2.6896 -0.8177 -0.8177 -0.6633 -0.6633 0.2151 0.2151 1.4977 1.4977 1.5608 1.5608 1.6211 1.6211 1.7521 1.7521 2.5342 2.5342 4.7443 4.7443 4.7532 4.7532 5.7574 5.7574 5.7991 5.7991 5.9074 5.9074 5.9151 5.9151 5.9598 5.9598 5.9793 5.9793 6.5240 6.5240 6.7736 6.7736 11.9516 11.9516 12.0217 12.0217 12.3687 12.3687 12.4269 12.4269 13.6736 13.6736 13.7946 13.7946 k = 0.0333 0.0577-0.0000 ( 4927 PWs) bands (ev): -18.2562 -18.2562 -18.0840 -18.0840 -15.1208 -15.1208 -14.8108 -14.8108 -11.9188 -11.9188 -11.9160 -11.9160 -11.7022 -11.7022 -11.7012 -11.7012 -5.1539 -5.1539 -4.7677 -4.7677 -3.4589 -3.4589 -3.4099 -3.4099 -3.0118 -3.0118 -2.6888 -2.6888 -0.8347 -0.8347 -0.6755 -0.6755 0.2206 0.2206 1.5076 1.5076 1.5703 1.5703 1.6297 1.6297 1.7627 1.7627 2.5335 2.5335 4.7478 4.7478 4.7535 4.7535 5.7754 5.7754 5.8159 5.8159 5.9076 5.9076 5.9126 5.9126 5.9796 5.9796 5.9974 5.9974 6.5252 6.5252 6.7765 6.7765 11.9348 11.9348 12.0326 12.0326 12.3548 12.3548 12.4087 12.4087 13.6676 13.6676 13.7895 13.7895 k = 0.0250 0.0433-0.0000 ( 4931 PWs) bands (ev): -18.2579 -18.2579 -18.0846 -18.0846 -15.1176 -15.1176 -14.8088 -14.8088 -11.9183 -11.9183 -11.9157 -11.9157 -11.7016 -11.7016 -11.7006 -11.7006 -5.1590 -5.1590 -4.7697 -4.7697 -3.4670 -3.4670 -3.4151 -3.4151 -3.0150 -3.0150 -2.6881 -2.6881 -0.8481 -0.8481 -0.6850 -0.6850 0.2249 0.2249 1.5149 1.5149 1.5783 1.5783 1.6363 1.6363 1.7713 1.7713 2.5329 2.5329 4.7505 4.7505 4.7538 4.7538 5.7890 5.7890 5.8291 5.8291 5.9078 5.9078 5.9106 5.9106 5.9951 5.9951 6.0126 6.0126 6.5261 6.5261 6.7787 6.7787 11.9216 11.9216 12.0407 12.0407 12.3438 12.3438 12.3953 12.3953 13.6629 13.6629 13.7850 13.7850 k = 0.0167 0.0289-0.0000 ( 4931 PWs) bands (ev): -18.2592 -18.2592 -18.0850 -18.0850 -15.1152 -15.1152 -14.8073 -14.8073 -11.9180 -11.9180 -11.9155 -11.9155 -11.7011 -11.7011 -11.7002 -11.7002 -5.1627 -5.1627 -4.7711 -4.7711 -3.4728 -3.4728 -3.4188 -3.4188 -3.0174 -3.0174 -2.6877 -2.6877 -0.8578 -0.8578 -0.6918 -0.6918 0.2279 0.2279 1.5198 1.5198 1.5844 1.5844 1.6409 1.6409 1.7775 1.7775 2.5325 2.5325 4.7525 4.7525 4.7541 4.7541 5.7987 5.7987 5.8385 5.8385 5.9078 5.9078 5.9092 5.9092 6.0062 6.0062 6.0239 6.0239 6.5266 6.5266 6.7803 6.7803 11.9120 11.9120 12.0462 12.0462 12.3357 12.3357 12.3862 12.3862 13.6596 13.6596 13.7815 13.7815 k = 0.0083 0.0144-0.0000 ( 4931 PWs) bands (ev): -18.2600 -18.2600 -18.0853 -18.0853 -15.1138 -15.1138 -14.8065 -14.8065 -11.9178 -11.9178 -11.9153 -11.9153 -11.7009 -11.7009 -11.6999 -11.6999 -5.1649 -5.1649 -4.7720 -4.7720 -3.4763 -3.4763 -3.4210 -3.4210 -3.0188 -3.0188 -2.6874 -2.6874 -0.8636 -0.8636 -0.6959 -0.6959 0.2298 0.2298 1.5227 1.5227 1.5881 1.5881 1.6436 1.6436 1.7814 1.7814 2.5323 2.5323 4.7535 4.7535 4.7544 4.7544 5.8045 5.8045 5.8442 5.8442 5.9077 5.9077 5.9085 5.9085 6.0130 6.0130 6.0309 6.0309 6.5269 6.5269 6.7812 6.7812 11.9063 11.9063 12.0494 12.0494 12.3307 12.3307 12.3810 12.3810 13.6575 13.6575 13.7793 13.7793 k = 0.0000 0.0000 0.0000 ( 4931 PWs) bands (ev): -18.2602 -18.2602 -18.0854 -18.0854 -15.1133 -15.1133 -14.8062 -14.8062 -11.9178 -11.9178 -11.9152 -11.9152 -11.7008 -11.7008 -11.6998 -11.6998 -5.1657 -5.1657 -4.7723 -4.7723 -3.4774 -3.4774 -3.4218 -3.4218 -3.0192 -3.0192 -2.6873 -2.6873 -0.8655 -0.8655 -0.6973 -0.6973 0.2304 0.2304 1.5236 1.5236 1.5894 1.5894 1.6445 1.6445 1.7826 1.7826 2.5322 2.5322 4.7538 4.7538 4.7545 4.7545 5.8064 5.8064 5.8461 5.8461 5.9076 5.9076 5.9083 5.9083 6.0153 6.0153 6.0332 6.0332 6.5270 6.5270 6.7815 6.7815 11.9044 11.9044 12.0505 12.0505 12.3291 12.3291 12.3793 12.3793 13.6568 13.6568 13.7785 13.7785 k = 0.0000 0.0000 0.0000 ( 4931 PWs) bands (ev): -18.2602 -18.2602 -18.0854 -18.0854 -15.1133 -15.1133 -14.8062 -14.8062 -11.9178 -11.9178 -11.9152 -11.9152 -11.7008 -11.7008 -11.6998 -11.6998 -5.1657 -5.1657 -4.7723 -4.7723 -3.4774 -3.4774 -3.4218 -3.4218 -3.0192 -3.0192 -2.6873 -2.6873 -0.8655 -0.8655 -0.6973 -0.6973 0.2304 0.2304 1.5236 1.5236 1.5894 1.5894 1.6445 1.6445 1.7826 1.7826 2.5322 2.5322 4.7538 4.7538 4.7545 4.7545 5.8064 5.8064 5.8461 5.8461 5.9076 5.9076 5.9083 5.9083 6.0153 6.0153 6.0332 6.0332 6.5270 6.5270 6.7815 6.7815 11.9044 11.9044 12.0505 12.0505 12.3291 12.3291 12.3793 12.3793 13.6568 13.6568 13.7785 13.7785 k = 0.0000 0.0000 0.0166 ( 4931 PWs) bands (ev): -18.2601 -18.2601 -18.0855 -18.0855 -15.1131 -15.1131 -14.8064 -14.8064 -11.9176 -11.9176 -11.9150 -11.9150 -11.7010 -11.7010 -11.7000 -11.7000 -5.1654 -5.1654 -4.7726 -4.7726 -3.4771 -3.4771 -3.4213 -3.4213 -3.0196 -3.0196 -2.6882 -2.6882 -0.8646 -0.8646 -0.6972 -0.6972 0.2319 0.2319 1.5237 1.5237 1.5895 1.5895 1.6443 1.6443 1.7824 1.7824 2.5295 2.5295 4.7547 4.7547 4.7556 4.7556 5.8044 5.8044 5.8462 5.8462 5.9065 5.9065 5.9091 5.9091 6.0166 6.0166 6.0333 6.0333 6.5272 6.5272 6.7813 6.7813 11.9073 11.9073 12.0486 12.0486 12.3290 12.3290 12.3792 12.3792 13.6537 13.6537 13.7825 13.7825 k = 0.0000 0.0000 0.0333 ( 4925 PWs) bands (ev): -18.2597 -18.2597 -18.0859 -18.0859 -15.1125 -15.1125 -14.8073 -14.8073 -11.9171 -11.9171 -11.9145 -11.9145 -11.7015 -11.7015 -11.7005 -11.7005 -5.1645 -5.1645 -4.7737 -4.7737 -3.4762 -3.4762 -3.4199 -3.4199 -3.0209 -3.0209 -2.6910 -2.6910 -0.8620 -0.8620 -0.6969 -0.6969 0.2364 0.2364 1.5238 1.5238 1.5898 1.5898 1.6439 1.6439 1.7818 1.7818 2.5214 2.5214 4.7575 4.7575 4.7586 4.7586 5.7990 5.7990 5.8468 5.8468 5.9013 5.9013 5.9132 5.9132 6.0202 6.0202 6.0338 6.0338 6.5278 6.5278 6.7807 6.7807 11.9160 11.9160 12.0430 12.0430 12.3289 12.3289 12.3789 12.3789 13.6446 13.6446 13.7944 13.7944 k = 0.0000 0.0000 0.0499 ( 4925 PWs) bands (ev): -18.2590 -18.2590 -18.0866 -18.0866 -15.1114 -15.1114 -14.8086 -14.8086 -11.9163 -11.9163 -11.9137 -11.9137 -11.7023 -11.7023 -11.7014 -11.7014 -5.1631 -5.1631 -4.7755 -4.7755 -3.4746 -3.4746 -3.4176 -3.4176 -3.0229 -3.0229 -2.6957 -2.6957 -0.8576 -0.8576 -0.6963 -0.6963 0.2438 0.2438 1.5239 1.5239 1.5902 1.5902 1.6432 1.6432 1.7807 1.7807 2.5080 2.5080 4.7621 4.7621 4.7636 4.7636 5.7906 5.7906 5.8476 5.8476 5.8934 5.8934 5.9191 5.9191 6.0256 6.0256 6.0345 6.0345 6.5288 6.5288 6.7796 6.7796 11.9303 11.9303 12.0339 12.0339 12.3288 12.3288 12.3785 12.3785 13.6298 13.6298 13.8140 13.8140 k = 0.0000 0.0000 0.0666 ( 4931 PWs) bands (ev): -18.2580 -18.2580 -18.0875 -18.0875 -15.1099 -15.1099 -14.8105 -14.8105 -11.9151 -11.9151 -11.9126 -11.9126 -11.7036 -11.7036 -11.7026 -11.7026 -5.1612 -5.1612 -4.7779 -4.7779 -3.4724 -3.4724 -3.4144 -3.4144 -3.0258 -3.0258 -2.7021 -2.7021 -0.8516 -0.8516 -0.6955 -0.6955 0.2542 0.2542 1.5241 1.5241 1.5908 1.5908 1.6423 1.6423 1.7792 1.7792 2.4894 2.4894 4.7686 4.7686 4.7707 4.7707 5.7801 5.7801 5.8489 5.8489 5.8833 5.8833 5.9262 5.9262 6.0318 6.0318 6.0359 6.0359 6.5301 6.5301 6.7782 6.7782 11.9498 11.9498 12.0217 12.0217 12.3289 12.3289 12.3782 12.3782 13.6103 13.6103 13.8409 13.8409 k = 0.0000 0.0000 0.0832 ( 4937 PWs) bands (ev): -18.2567 -18.2567 -18.0887 -18.0887 -15.1080 -15.1080 -14.8129 -14.8129 -11.9136 -11.9136 -11.9111 -11.9111 -11.7051 -11.7051 -11.7041 -11.7041 -5.1587 -5.1587 -4.7810 -4.7810 -3.4697 -3.4697 -3.4102 -3.4102 -3.0294 -3.0294 -2.7103 -2.7103 -0.8440 -0.8440 -0.6944 -0.6944 0.2673 0.2673 1.5244 1.5244 1.5916 1.5916 1.6410 1.6410 1.7774 1.7774 2.4658 2.4658 4.7768 4.7768 4.7797 4.7797 5.7681 5.7681 5.8504 5.8504 5.8715 5.8715 5.9338 5.9338 6.0355 6.0355 6.0407 6.0407 6.5318 6.5318 6.7764 6.7764 11.9740 11.9740 12.0068 12.0068 12.3292 12.3292 12.3780 12.3780 13.5870 13.5870 13.8746 13.8746 k = 0.0000 0.0000 0.0999 ( 4937 PWs) bands (ev): -18.2552 -18.2552 -18.0901 -18.0901 -15.1057 -15.1057 -14.8159 -14.8159 -11.9118 -11.9118 -11.9093 -11.9093 -11.7070 -11.7070 -11.7060 -11.7060 -5.1556 -5.1556 -4.7848 -4.7848 -3.4662 -3.4662 -3.4052 -3.4052 -3.0338 -3.0338 -2.7200 -2.7200 -0.8351 -0.8351 -0.6930 -0.6930 0.2832 0.2832 1.5248 1.5248 1.5926 1.5926 1.6395 1.6395 1.7751 1.7751 2.4373 2.4373 4.7868 4.7868 4.7906 4.7906 5.7548 5.7548 5.8524 5.8524 5.8584 5.8584 5.9416 5.9416 6.0372 6.0372 6.0480 6.0480 6.5339 6.5339 6.7741 6.7741 11.9898 11.9898 12.0021 12.0021 12.3301 12.3301 12.3782 12.3782 13.5613 13.5613 13.9147 13.9147 k = 0.0000 0.0000 0.1165 ( 4937 PWs) bands (ev): -18.2534 -18.2534 -18.0918 -18.0918 -15.1029 -15.1029 -14.8193 -14.8193 -11.9096 -11.9096 -11.9071 -11.9071 -11.7092 -11.7092 -11.7082 -11.7082 -5.1520 -5.1520 -4.7893 -4.7893 -3.4622 -3.4622 -3.3994 -3.3994 -3.0390 -3.0390 -2.7313 -2.7313 -0.8248 -0.8248 -0.6911 -0.6911 0.3018 0.3018 1.5252 1.5252 1.5938 1.5938 1.6378 1.6378 1.7724 1.7724 2.4042 2.4042 4.7984 4.7984 4.8034 4.8034 5.7406 5.7406 5.8442 5.8442 5.8546 5.8546 5.9493 5.9493 6.0388 6.0388 6.0556 6.0556 6.5364 6.5364 6.7715 6.7715 11.9712 11.9712 12.0333 12.0333 12.3317 12.3317 12.3790 12.3790 13.5345 13.5345 13.9604 13.9604 k = 0.0000 0.0000 0.1332 ( 4949 PWs) bands (ev): -18.2513 -18.2513 -18.0937 -18.0937 -15.0998 -15.0998 -14.8233 -14.8233 -11.9072 -11.9072 -11.9047 -11.9047 -11.7117 -11.7117 -11.7107 -11.7107 -5.1479 -5.1479 -4.7944 -4.7944 -3.4576 -3.4576 -3.3926 -3.3926 -3.0449 -3.0449 -2.7440 -2.7440 -0.8135 -0.8135 -0.6889 -0.6889 0.3229 0.3229 1.5258 1.5258 1.5952 1.5952 1.6358 1.6358 1.7694 1.7694 2.3668 2.3668 4.8118 4.8118 4.8180 4.8180 5.7256 5.7256 5.8289 5.8289 5.8572 5.8572 5.9566 5.9566 6.0407 6.0407 6.0630 6.0630 6.5393 6.5393 6.7685 6.7685 11.9515 11.9515 12.0663 12.0663 12.3344 12.3344 12.3806 12.3806 13.5085 13.5085 14.0111 14.0111 k = 0.0000 0.0000 0.1498 ( 4937 PWs) bands (ev): -18.2490 -18.2490 -18.0959 -18.0959 -15.0963 -15.0963 -14.8277 -14.8277 -11.9044 -11.9044 -11.9020 -11.9020 -11.7145 -11.7145 -11.7135 -11.7135 -5.1433 -5.1433 -4.8000 -4.8000 -3.4524 -3.4524 -3.3851 -3.3851 -3.0516 -3.0516 -2.7580 -2.7580 -0.8011 -0.8011 -0.6862 -0.6862 0.3466 0.3466 1.5264 1.5264 1.5967 1.5967 1.6336 1.6336 1.7660 1.7660 2.3253 2.3253 4.8267 4.8267 4.8344 4.8344 5.7098 5.7098 5.8129 5.8129 5.8602 5.8602 5.9635 5.9635 6.0427 6.0427 6.0702 6.0702 6.5424 6.5424 6.7652 6.7652 11.9313 11.9313 12.0998 12.0998 12.3385 12.3385 12.3834 12.3834 13.4852 13.4852 14.0655 14.0655 k = 0.0000 0.0000 0.1665 ( 4949 PWs) bands (ev): -18.2464 -18.2464 -18.0983 -18.0983 -15.0923 -15.0923 -14.8325 -14.8325 -11.9014 -11.9014 -11.8990 -11.8990 -11.7177 -11.7177 -11.7166 -11.7166 -5.1382 -5.1382 -4.8063 -4.8063 -3.4466 -3.4466 -3.3767 -3.3767 -3.0589 -3.0589 -2.7731 -2.7731 -0.7881 -0.7881 -0.6830 -0.6830 0.3725 0.3725 1.5271 1.5271 1.5985 1.5985 1.6312 1.6312 1.7623 1.7623 2.2800 2.2800 4.8432 4.8432 4.8524 4.8524 5.6934 5.6934 5.7959 5.7959 5.8634 5.8634 5.9697 5.9697 6.0450 6.0450 6.0770 6.0770 6.5460 6.5460 6.7614 6.7614 11.9111 11.9111 12.1321 12.1321 12.3440 12.3440 12.3876 12.3876 13.4667 13.4667 14.1182 14.1182 k = 0.0000 0.0000 0.1831 ( 4955 PWs) bands (ev): -18.2436 -18.2436 -18.1010 -18.1010 -15.0880 -15.0880 -14.8378 -14.8378 -11.8981 -11.8981 -11.8957 -11.8957 -11.7211 -11.7211 -11.7200 -11.7200 -5.1325 -5.1325 -4.8131 -4.8131 -3.4403 -3.4403 -3.3676 -3.3676 -3.0668 -3.0668 -2.7892 -2.7892 -0.7744 -0.7744 -0.6794 -0.6794 0.4008 0.4008 1.5279 1.5279 1.6005 1.6005 1.6285 1.6285 1.7583 1.7583 2.2312 2.2312 4.8611 4.8611 4.8721 4.8721 5.6764 5.6764 5.7781 5.7781 5.8670 5.8670 5.9753 5.9753 6.0474 6.0474 6.0833 6.0833 6.5498 6.5498 6.7573 6.7573 11.8913 11.8913 12.1615 12.1615 12.3514 12.3514 12.3935 12.3935 13.4554 13.4554 14.1054 14.1107 k = 0.0000 0.0000 0.1998 ( 4943 PWs) bands (ev): -18.2406 -18.2406 -18.1039 -18.1039 -15.0833 -15.0833 -14.8435 -14.8435 -11.8944 -11.8944 -11.8921 -11.8921 -11.7248 -11.7248 -11.7237 -11.7237 -5.1265 -5.1265 -4.8204 -4.8204 -3.4334 -3.4334 -3.3578 -3.3578 -3.0754 -3.0754 -2.8063 -2.8063 -0.7604 -0.7604 -0.6753 -0.6753 0.4312 0.4312 1.5288 1.5288 1.6027 1.6027 1.6257 1.6257 1.7540 1.7540 2.1794 2.1794 4.8804 4.8804 4.8933 4.8933 5.6588 5.6588 5.7595 5.7595 5.8708 5.8708 5.9802 5.9802 6.0500 6.0500 6.0891 6.0891 6.5540 6.5540 6.7529 6.7529 11.8725 11.8725 12.1863 12.1863 12.3605 12.3605 12.4013 12.4013 13.4533 13.4533 14.0355 14.0408 k = 0.0000 0.0000 0.2164 ( 4943 PWs) bands (ev): -18.2374 -18.2374 -18.1069 -18.1069 -15.0782 -15.0782 -14.8496 -14.8496 -11.8906 -11.8906 -11.8882 -11.8882 -11.7288 -11.7288 -11.7276 -11.7276 -5.1199 -5.1199 -4.8283 -4.8283 -3.4260 -3.4260 -3.3472 -3.3472 -3.0846 -3.0846 -2.8241 -2.8241 -0.7461 -0.7461 -0.6707 -0.6707 0.4638 0.4638 1.5297 1.5297 1.6051 1.6051 1.6228 1.6228 1.7494 1.7494 2.1248 2.1248 4.9010 4.9010 4.9159 4.9159 5.6407 5.6407 5.7401 5.7401 5.8750 5.8750 5.9843 5.9843 6.0528 6.0528 6.0943 6.0943 6.5585 6.5585 6.7482 6.7482 11.8550 11.8550 12.2051 12.2051 12.3714 12.3714 12.4113 12.4113 13.4628 13.4628 13.9600 13.9662 k = 0.0000 0.0000 0.2331 ( 4961 PWs) bands (ev): -18.2339 -18.2339 -18.1102 -18.1102 -15.0729 -15.0729 -14.8561 -14.8561 -11.8864 -11.8864 -11.8841 -11.8841 -11.7330 -11.7330 -11.7318 -11.7318 -5.1129 -5.1129 -4.8365 -4.8365 -3.4180 -3.4180 -3.3359 -3.3359 -3.0943 -3.0943 -2.8425 -2.8425 -0.7318 -0.7318 -0.6657 -0.6657 0.4984 0.4984 1.5308 1.5308 1.6077 1.6077 1.6197 1.6197 1.7446 1.7446 2.0678 2.0678 4.9227 4.9227 4.9399 4.9399 5.6219 5.6219 5.7199 5.7199 5.8794 5.8794 5.9876 5.9876 6.0558 6.0558 6.0989 6.0989 6.5633 6.5633 6.7432 6.7432 11.8390 11.8390 12.2166 12.2166 12.3840 12.3840 12.4238 12.4238 13.4852 13.4852 13.8832 13.8839 k = 0.0000 0.0000 0.2497 ( 4985 PWs) bands (ev): -18.2303 -18.2303 -18.1137 -18.1137 -15.0671 -15.0671 -14.8629 -14.8629 -11.8821 -11.8821 -11.8798 -11.8798 -11.7375 -11.7375 -11.7363 -11.7363 -5.1055 -5.1055 -4.8452 -4.8452 -3.4095 -3.4095 -3.3240 -3.3240 -3.1045 -3.1045 -2.8615 -2.8615 -0.7177 -0.7177 -0.6604 -0.6604 0.5350 0.5350 1.5319 1.5319 1.6106 1.6106 1.6164 1.6164 1.7396 1.7396 2.0087 2.0087 4.9456 4.9456 4.9650 4.9650 5.6024 5.6024 5.6988 5.6988 5.8841 5.8841 5.9901 5.9901 6.0589 6.0589 6.1029 6.1029 6.5684 6.5684 6.7379 6.7379 11.8250 11.8250 12.2204 12.2204 12.3985 12.3985 12.4389 12.4389 13.5217 13.5217 13.8057 13.8064 k = 0.0000 0.0000 0.2664 ( 4985 PWs) bands (ev): -18.2265 -18.2265 -18.1174 -18.1174 -15.0610 -15.0610 -14.8700 -14.8700 -11.8775 -11.8775 -11.8753 -11.8753 -11.7422 -11.7422 -11.7410 -11.7410 -5.0977 -5.0977 -4.8543 -4.8543 -3.4006 -3.4006 -3.3114 -3.3114 -3.1152 -3.1152 -2.8810 -2.8810 -0.7039 -0.7039 -0.6548 -0.6548 0.5736 0.5736 1.5330 1.5330 1.6130 1.6130 1.6136 1.6136 1.7344 1.7344 1.9480 1.9480 4.9694 4.9694 4.9914 4.9914 5.5824 5.5824 5.6769 5.6769 5.8891 5.8891 5.9918 5.9918 6.0621 6.0621 6.1063 6.1063 6.5737 6.5737 6.7323 6.7323 11.8132 11.8132 12.2162 12.2162 12.4152 12.4152 12.4568 12.4568 13.5722 13.5722 13.7279 13.7279 k = 0.0000 0.0000 0.2830 ( 4985 PWs) bands (ev): -18.2225 -18.2225 -18.1212 -18.1212 -15.0547 -15.0547 -14.8774 -14.8774 -11.8727 -11.8727 -11.8705 -11.8705 -11.7471 -11.7471 -11.7458 -11.7458 -5.0895 -5.0895 -4.8638 -4.8638 -3.3911 -3.3911 -3.2982 -3.2982 -3.1263 -3.1263 -2.9008 -2.9008 -0.6906 -0.6906 -0.6490 -0.6490 0.6140 0.6140 1.5342 1.5342 1.6096 1.6096 1.6169 1.6169 1.7290 1.7290 1.8861 1.8861 4.9942 4.9942 5.0187 5.0187 5.5618 5.5618 5.6542 5.6542 5.8942 5.8942 5.9927 5.9927 6.0655 6.0655 6.1090 6.1090 6.5793 6.5793 6.7265 6.7265 11.8038 11.8038 12.2045 12.2045 12.4348 12.4348 12.4778 12.4778 13.6362 13.6362 13.6500 13.6501 k = 0.0000 0.0000 0.2997 ( 4985 PWs) bands (ev): -18.2183 -18.2183 -18.1252 -18.1252 -15.0480 -15.0480 -14.8851 -14.8851 -11.8676 -11.8676 -11.8655 -11.8655 -11.7522 -11.7522 -11.7509 -11.7509 -5.0810 -5.0810 -4.8736 -4.8736 -3.3812 -3.3812 -3.2845 -3.2845 -3.1378 -3.1378 -2.9208 -2.9208 -0.6780 -0.6780 -0.6432 -0.6432 0.6564 0.6564 1.5351 1.5351 1.6061 1.6061 1.6204 1.6204 1.7235 1.7235 1.8233 1.8233 5.0197 5.0197 5.0470 5.0470 5.5405 5.5405 5.6306 5.6306 5.8996 5.8996 5.9928 5.9928 6.0689 6.0689 6.1111 6.1111 6.5851 6.5851 6.7205 6.7205 11.7970 11.7970 12.1861 12.1861 12.4576 12.4576 12.5018 12.5018 13.5726 13.5726 13.6090 13.6090 k = 0.0000 0.0000 0.3163 ( 4973 PWs) bands (ev): -18.2140 -18.2140 -18.1294 -18.1294 -15.0410 -15.0410 -14.8930 -14.8930 -11.8624 -11.8624 -11.8603 -11.8603 -11.7575 -11.7575 -11.7561 -11.7561 -5.0720 -5.0720 -4.8836 -4.8836 -3.3709 -3.3709 -3.2701 -3.2701 -3.1496 -3.1496 -2.9410 -2.9410 -0.6661 -0.6661 -0.6374 -0.6374 0.7005 0.7005 1.5356 1.5356 1.6025 1.6025 1.6242 1.6242 1.7179 1.7179 1.7603 1.7603 5.0459 5.0459 5.0760 5.0760 5.5186 5.5186 5.6062 5.6062 5.9052 5.9052 5.9921 5.9921 6.0724 6.0724 6.1126 6.1126 6.5912 6.5912 6.7143 6.7143 11.7931 11.7931 12.1624 12.1624 12.4838 12.4838 12.5292 12.5292 13.4958 13.4958 13.5346 13.5346 k = 0.0000 0.0000 0.3330 ( 4973 PWs) bands (ev): -18.2096 -18.2096 -18.1337 -18.1337 -15.0338 -15.0338 -14.9010 -14.9010 -11.8571 -11.8571 -11.8550 -11.8550 -11.7629 -11.7629 -11.7616 -11.7616 -5.0628 -5.0628 -4.8939 -4.8939 -3.3602 -3.3602 -3.2552 -3.2552 -3.1617 -3.1617 -2.9612 -2.9612 -0.6551 -0.6551 -0.6317 -0.6317 0.7465 0.7465 1.5349 1.5349 1.5989 1.5989 1.6281 1.6281 1.6981 1.6981 1.7122 1.7122 5.0727 5.0727 5.1057 5.1057 5.4960 5.4960 5.5810 5.5810 5.9110 5.9110 5.9906 5.9906 6.0760 6.0760 6.1135 6.1135 6.5974 6.5974 6.7079 6.7079 11.7920 11.7920 12.1347 12.1347 12.5136 12.5136 12.5598 12.5598 13.4199 13.4199 13.4608 13.4608 k = 0.0000 0.0000 0.3496 ( 4956 PWs) bands (ev): -18.2050 -18.2050 -18.1381 -18.1381 -15.0264 -15.0264 -14.9092 -14.9092 -11.8515 -11.8515 -11.8495 -11.8495 -11.7685 -11.7685 -11.7671 -11.7671 -5.0533 -5.0533 -4.9044 -4.9044 -3.3492 -3.3492 -3.2398 -3.2398 -3.1741 -3.1741 -2.9815 -2.9815 -0.6451 -0.6451 -0.6264 -0.6264 0.7943 0.7943 1.5308 1.5308 1.5953 1.5953 1.6323 1.6323 1.6393 1.6393 1.7065 1.7065 5.0999 5.0999 5.1360 5.1360 5.4728 5.4728 5.5549 5.5549 5.9169 5.9169 5.9885 5.9885 6.0796 6.0796 6.1138 6.1138 6.6039 6.6039 6.7013 6.7013 11.7940 11.7940 12.1044 12.1044 12.5469 12.5469 12.5939 12.5939 13.3453 13.3453 13.3879 13.3879 k = 0.0000 0.0000 0.3662 ( 4956 PWs) bands (ev): -18.2004 -18.2004 -18.1426 -18.1426 -15.0187 -15.0187 -14.9176 -14.9176 -11.8459 -11.8459 -11.8439 -11.8439 -11.7742 -11.7742 -11.7728 -11.7728 -5.0435 -5.0435 -4.9151 -4.9151 -3.3378 -3.3378 -3.2239 -3.2239 -3.1867 -3.1867 -3.0017 -3.0017 -0.6362 -0.6362 -0.6215 -0.6215 0.8438 0.8438 1.5147 1.5147 1.5917 1.5917 1.5927 1.5927 1.6367 1.6367 1.7007 1.7007 5.1275 5.1275 5.1667 5.1667 5.4489 5.4489 5.5281 5.5281 5.9228 5.9228 5.9857 5.9857 6.0832 6.0832 6.1135 6.1135 6.6105 6.6105 6.6945 6.6945 11.7990 11.7990 12.0725 12.0725 12.5838 12.5838 12.6313 12.6313 13.2721 13.2721 13.3162 13.3162 k = 0.0000 0.0000 0.3829 ( 4968 PWs) bands (ev): -18.1957 -18.1957 -18.1472 -18.1472 -15.0108 -15.0108 -14.9261 -14.9261 -11.8401 -11.8401 -11.8382 -11.8382 -11.7800 -11.7800 -11.7786 -11.7786 -5.0335 -5.0335 -4.9259 -4.9259 -3.3260 -3.3260 -3.2075 -3.2075 -3.1994 -3.1994 -3.0218 -3.0218 -0.6285 -0.6285 -0.6172 -0.6172 0.8950 0.8950 1.4736 1.4736 1.5715 1.5715 1.5881 1.5881 1.6412 1.6412 1.6949 1.6949 5.1552 5.1552 5.1976 5.1976 5.4244 5.4244 5.5005 5.5005 5.9289 5.9289 5.9823 5.9823 6.0868 6.0868 6.1128 6.1128 6.6172 6.6172 6.6877 6.6877 11.8072 11.8072 12.0401 12.0401 12.6242 12.6242 12.6722 12.6722 13.2006 13.2006 13.2459 13.2459 k = 0.0000 0.0000 0.3995 ( 4968 PWs) bands (ev): -18.1909 -18.1909 -18.1519 -18.1519 -15.0028 -15.0028 -14.9347 -14.9347 -11.8343 -11.8343 -11.8324 -11.8324 -11.7860 -11.7860 -11.7844 -11.7844 -5.0232 -5.0232 -4.9368 -4.9368 -3.3140 -3.3140 -3.2123 -3.2123 -3.1906 -3.1906 -3.0417 -3.0417 -0.6220 -0.6220 -0.6136 -0.6136 0.9479 0.9479 1.4172 1.4172 1.5662 1.5662 1.5846 1.5846 1.6460 1.6460 1.6891 1.6891 5.1831 5.1831 5.2288 5.2288 5.3994 5.3994 5.4722 5.4722 5.9350 5.9350 5.9784 5.9784 6.0903 6.0903 6.1116 6.1116 6.6241 6.6241 6.6807 6.6807 11.8185 11.8185 12.0080 12.0080 12.6681 12.6681 12.7164 12.7164 13.1310 13.1310 13.1774 13.1774 k = 0.0000 0.0000 0.4162 ( 4968 PWs) bands (ev): -18.1860 -18.1860 -18.1567 -18.1567 -14.9946 -14.9946 -14.9433 -14.9433 -11.8283 -11.8283 -11.8265 -11.8265 -11.7920 -11.7920 -11.7904 -11.7904 -5.0128 -5.0128 -4.9477 -4.9477 -3.3018 -3.3018 -3.2252 -3.2252 -3.1733 -3.1733 -3.0614 -3.0614 -0.6168 -0.6168 -0.6109 -0.6109 1.0024 1.0024 1.3568 1.3568 1.5657 1.5657 1.5812 1.5812 1.6509 1.6509 1.6834 1.6834 5.2110 5.2110 5.2601 5.2601 5.3737 5.3737 5.4433 5.4433 5.9410 5.9410 5.9740 5.9740 6.0937 6.0937 6.1100 6.1100 6.6310 6.6310 6.6736 6.6736 11.8329 11.8329 11.9768 11.9768 12.7153 12.7153 12.7638 12.7638 13.0636 13.0636 13.1107 13.1107 k = 0.0000 0.0000 0.4328 ( 4944 PWs) bands (ev): -18.1812 -18.1812 -18.1616 -18.1616 -14.9862 -14.9862 -14.9519 -14.9519 -11.8223 -11.8223 -11.8205 -11.8205 -11.7980 -11.7980 -11.7964 -11.7964 -5.0022 -5.0022 -4.9587 -4.9587 -3.2893 -3.2893 -3.2381 -3.2381 -3.1556 -3.1556 -3.0809 -3.0809 -0.6128 -0.6128 -0.6090 -0.6090 1.0585 1.0585 1.2956 1.2956 1.5670 1.5670 1.5779 1.5779 1.6560 1.6560 1.6777 1.6777 5.2389 5.2389 5.2913 5.2913 5.3476 5.3476 5.4137 5.4137 5.9470 5.9470 5.9692 5.9692 6.0970 6.0970 6.1080 6.1080 6.6381 6.6381 6.6666 6.6666 11.8503 11.8503 11.9470 11.9470 12.7659 12.7659 12.8145 12.8145 12.9986 12.9986 13.0463 13.0463 k = 0.0000 0.0000 0.4495 ( 4962 PWs) bands (ev): -18.1763 -18.1763 -18.1664 -18.1664 -14.9777 -14.9777 -14.9606 -14.9606 -11.8162 -11.8162 -11.8145 -11.8145 -11.8041 -11.8041 -11.8024 -11.8024 -4.9914 -4.9914 -4.9696 -4.9696 -3.2767 -3.2767 -3.2510 -3.2510 -3.1374 -3.1374 -3.1001 -3.1001 -0.6100 -0.6100 -0.6082 -0.6082 1.1160 1.1160 1.2348 1.2348 1.5692 1.5692 1.5747 1.5747 1.6612 1.6612 1.6721 1.6721 5.2665 5.2665 5.3209 5.3209 5.3224 5.3224 5.3837 5.3837 5.9529 5.9529 5.9640 5.9640 6.1001 6.1001 6.1057 6.1057 6.6451 6.6451 6.6594 6.6594 11.8706 11.8706 11.9192 11.9192 12.8196 12.8196 12.8682 12.8682 12.9362 12.9362 12.9843 12.9843 k = 0.0000 0.0000 0.4661 ( 4956 PWs) bands (ev): -18.1713 -18.1713 -18.1713 -18.1713 -14.9692 -14.9692 -14.9692 -14.9692 -11.8101 -11.8101 -11.8101 -11.8101 -11.8085 -11.8085 -11.8085 -11.8085 -4.9806 -4.9806 -4.9806 -4.9806 -3.2639 -3.2639 -3.2639 -3.2639 -3.1189 -3.1189 -3.1189 -3.1189 -0.6085 -0.6085 -0.6085 -0.6085 1.1749 1.1749 1.1749 1.1749 1.5718 1.5718 1.5718 1.5718 1.6666 1.6666 1.6666 1.6666 5.2939 5.2939 5.2939 5.2939 5.3532 5.3532 5.3532 5.3532 5.9585 5.9585 5.9585 5.9585 6.1030 6.1030 6.1030 6.1030 6.6523 6.6523 6.6523 6.6523 11.8936 11.8936 11.8936 11.8936 12.8764 12.8764 12.8764 12.8764 12.9248 12.9248 12.9248 12.9248 k = 0.0000 0.0000 0.4661 ( 4956 PWs) bands (ev): -18.1713 -18.1713 -18.1713 -18.1713 -14.9692 -14.9692 -14.9692 -14.9692 -11.8101 -11.8101 -11.8101 -11.8101 -11.8085 -11.8085 -11.8085 -11.8085 -4.9806 -4.9806 -4.9806 -4.9806 -3.2639 -3.2639 -3.2639 -3.2639 -3.1189 -3.1189 -3.1189 -3.1189 -0.6085 -0.6085 -0.6085 -0.6085 1.1749 1.1749 1.1749 1.1749 1.5718 1.5718 1.5718 1.5718 1.6666 1.6666 1.6666 1.6666 5.2939 5.2939 5.2939 5.2939 5.3532 5.3532 5.3532 5.3532 5.9585 5.9585 5.9585 5.9585 6.1030 6.1030 6.1030 6.1030 6.6523 6.6523 6.6523 6.6523 11.8936 11.8936 11.8936 11.8936 12.8764 12.8764 12.8764 12.8764 12.9248 12.9248 12.9248 12.9248 k = 0.0143 0.0082 0.4661 ( 4948 PWs) bands (ev): -18.1712 -18.1712 -18.1712 -18.1712 -14.9696 -14.9696 -14.9696 -14.9696 -11.8102 -11.8102 -11.8102 -11.8102 -11.8085 -11.8085 -11.8085 -11.8085 -4.9801 -4.9801 -4.9801 -4.9801 -3.2640 -3.2640 -3.2640 -3.2640 -3.1174 -3.1174 -3.1174 -3.1174 -0.6074 -0.6074 -0.6074 -0.6074 1.1746 1.1746 1.1746 1.1746 1.5709 1.5709 1.5709 1.5709 1.6656 1.6656 1.6656 1.6656 5.2932 5.2932 5.2932 5.2932 5.3526 5.3526 5.3526 5.3526 5.9571 5.9571 5.9571 5.9571 6.1011 6.1011 6.1011 6.1011 6.6520 6.6520 6.6520 6.6520 11.8937 11.8937 11.8937 11.8937 12.8785 12.8785 12.8785 12.8785 12.9269 12.9269 12.9269 12.9269 k = 0.0286 0.0165 0.4661 ( 4952 PWs) bands (ev): -18.1707 -18.1707 -18.1707 -18.1707 -14.9707 -14.9707 -14.9707 -14.9707 -11.8105 -11.8105 -11.8105 -11.8105 -11.8088 -11.8088 -11.8088 -11.8088 -4.9787 -4.9787 -4.9787 -4.9787 -3.2640 -3.2640 -3.2640 -3.2640 -3.1128 -3.1128 -3.1128 -3.1128 -0.6039 -0.6039 -0.6039 -0.6039 1.1738 1.1738 1.1738 1.1738 1.5681 1.5681 1.5681 1.5681 1.6628 1.6628 1.6628 1.6628 5.2911 5.2911 5.2911 5.2911 5.3509 5.3509 5.3509 5.3509 5.9528 5.9528 5.9528 5.9528 6.0953 6.0953 6.0953 6.0953 6.6513 6.6513 6.6513 6.6513 11.8941 11.8941 11.8941 11.8941 12.8846 12.8846 12.8846 12.8846 12.9332 12.9332 12.9332 12.9332 k = 0.0429 0.0247 0.4661 ( 4958 PWs) bands (ev): -18.1698 -18.1698 -18.1698 -18.1698 -14.9725 -14.9725 -14.9725 -14.9725 -11.8109 -11.8109 -11.8109 -11.8109 -11.8091 -11.8091 -11.8091 -11.8091 -4.9763 -4.9763 -4.9763 -4.9763 -3.2640 -3.2640 -3.2640 -3.2640 -3.1054 -3.1054 -3.1054 -3.1054 -0.5981 -0.5981 -0.5981 -0.5981 1.1725 1.1725 1.1725 1.1725 1.5635 1.5635 1.5635 1.5635 1.6580 1.6580 1.6580 1.6580 5.2876 5.2876 5.2876 5.2876 5.3480 5.3480 5.3480 5.3480 5.9455 5.9455 5.9455 5.9455 6.0858 6.0858 6.0858 6.0858 6.6501 6.6501 6.6501 6.6501 11.8947 11.8947 11.8947 11.8947 12.8944 12.8944 12.8944 12.8944 12.9438 12.9438 12.9438 12.9438 k = 0.0571 0.0330 0.4661 ( 4964 PWs) bands (ev): -18.1687 -18.1687 -18.1687 -18.1687 -14.9751 -14.9751 -14.9751 -14.9751 -11.8115 -11.8115 -11.8115 -11.8115 -11.8096 -11.8096 -11.8096 -11.8096 -4.9730 -4.9730 -4.9730 -4.9730 -3.2636 -3.2636 -3.2635 -3.2635 -3.0954 -3.0954 -3.0954 -3.0954 -0.5901 -0.5901 -0.5901 -0.5901 1.1707 1.1707 1.1707 1.1707 1.5569 1.5569 1.5569 1.5569 1.6515 1.6515 1.6515 1.6515 5.2826 5.2826 5.2826 5.2826 5.3442 5.3442 5.3442 5.3442 5.9353 5.9353 5.9353 5.9353 6.0730 6.0730 6.0730 6.0730 6.6483 6.6483 6.6483 6.6483 11.8958 11.8958 11.8958 11.8958 12.9073 12.9073 12.9073 12.9073 12.9592 12.9592 12.9592 12.9592 k = 0.0714 0.0412 0.4661 ( 4960 PWs) bands (ev): -18.1672 -18.1672 -18.1672 -18.1672 -14.9783 -14.9783 -14.9783 -14.9783 -11.8123 -11.8123 -11.8123 -11.8123 -11.8103 -11.8103 -11.8103 -11.8103 -4.9688 -4.9688 -4.9688 -4.9688 -3.2626 -3.2626 -3.2626 -3.2626 -3.0831 -3.0831 -3.0831 -3.0831 -0.5797 -0.5797 -0.5797 -0.5797 1.1684 1.1684 1.1684 1.1684 1.5484 1.5484 1.5484 1.5484 1.6435 1.6435 1.6435 1.6435 5.2758 5.2758 5.2758 5.2758 5.3394 5.3394 5.3394 5.3394 5.9222 5.9222 5.9222 5.9222 6.0572 6.0572 6.0572 6.0572 6.6459 6.6459 6.6459 6.6459 11.8976 11.8976 11.8976 11.8976 12.9227 12.9227 12.9227 12.9227 12.9794 12.9794 12.9794 12.9794 k = 0.0857 0.0495 0.4661 ( 4964 PWs) bands (ev): -18.1654 -18.1654 -18.1654 -18.1654 -14.9823 -14.9823 -14.9823 -14.9823 -11.8132 -11.8132 -11.8132 -11.8132 -11.8110 -11.8110 -11.8110 -11.8110 -4.9638 -4.9638 -4.9638 -4.9638 -3.2609 -3.2609 -3.2609 -3.2609 -3.0688 -3.0688 -3.0688 -3.0688 -0.5672 -0.5672 -0.5672 -0.5672 1.1656 1.1656 1.1656 1.1656 1.5378 1.5378 1.5378 1.5378 1.6339 1.6339 1.6339 1.6339 5.2673 5.2673 5.2673 5.2673 5.3338 5.3338 5.3338 5.3338 5.9059 5.9059 5.9059 5.9059 6.0390 6.0390 6.0390 6.0390 6.6430 6.6430 6.6430 6.6430 11.9002 11.9002 11.9002 11.9002 12.9403 12.9403 12.9403 12.9403 13.0045 13.0045 13.0045 13.0045 k = 0.1000 0.0577 0.4661 ( 4960 PWs) bands (ev): -18.1633 -18.1633 -18.1633 -18.1633 -14.9868 -14.9868 -14.9868 -14.9868 -11.8142 -11.8142 -11.8142 -11.8142 -11.8119 -11.8119 -11.8119 -11.8119 -4.9579 -4.9579 -4.9579 -4.9579 -3.2582 -3.2582 -3.2582 -3.2582 -3.0528 -3.0528 -3.0528 -3.0528 -0.5525 -0.5525 -0.5525 -0.5525 1.1622 1.1622 1.1622 1.1622 1.5252 1.5252 1.5252 1.5252 1.6232 1.6232 1.6232 1.6232 5.2567 5.2567 5.2567 5.2567 5.3276 5.3276 5.3276 5.3276 5.8865 5.8865 5.8865 5.8865 6.0190 6.0190 6.0190 6.0190 6.6394 6.6394 6.6394 6.6394 11.9038 11.9038 11.9038 11.9038 12.9598 12.9598 12.9598 12.9598 13.0343 13.0343 13.0343 13.0343 k = 0.1143 0.0660 0.4661 ( 4956 PWs) bands (ev): -18.1609 -18.1609 -18.1609 -18.1609 -14.9920 -14.9920 -14.9920 -14.9920 -11.8155 -11.8155 -11.8155 -11.8155 -11.8129 -11.8129 -11.8129 -11.8129 -4.9512 -4.9512 -4.9512 -4.9512 -3.2546 -3.2546 -3.2546 -3.2546 -3.0353 -3.0353 -3.0353 -3.0353 -0.5356 -0.5356 -0.5356 -0.5356 1.1583 1.1583 1.1583 1.1583 1.5106 1.5106 1.5106 1.5106 1.6114 1.6114 1.6114 1.6114 5.2440 5.2440 5.2440 5.2440 5.3209 5.3209 5.3209 5.3209 5.8638 5.8638 5.8638 5.8638 5.9977 5.9977 5.9977 5.9977 6.6351 6.6351 6.6351 6.6351 11.9086 11.9086 11.9086 11.9086 12.9810 12.9810 12.9810 12.9810 13.0685 13.0685 13.0685 13.0685 k = 0.1286 0.0742 0.4661 ( 4956 PWs) bands (ev): -18.1582 -18.1582 -18.1582 -18.1582 -14.9977 -14.9977 -14.9977 -14.9977 -11.8168 -11.8168 -11.8168 -11.8168 -11.8140 -11.8140 -11.8140 -11.8140 -4.9437 -4.9437 -4.9437 -4.9437 -3.2498 -3.2498 -3.2498 -3.2498 -3.0165 -3.0165 -3.0165 -3.0165 -0.5166 -0.5166 -0.5166 -0.5166 1.1539 1.1539 1.1539 1.1539 1.4940 1.4940 1.4940 1.4940 1.5986 1.5986 1.5986 1.5986 5.2289 5.2289 5.2289 5.2289 5.3136 5.3136 5.3136 5.3136 5.8379 5.8379 5.8379 5.8379 5.9759 5.9759 5.9759 5.9759 6.6301 6.6301 6.6301 6.6301 11.9149 11.9149 11.9149 11.9149 13.0038 13.0038 13.0038 13.0038 13.1065 13.1065 13.1065 13.1065 k = 0.1429 0.0825 0.4661 ( 4952 PWs) bands (ev): -18.1553 -18.1553 -18.1553 -18.1553 -15.0040 -15.0040 -15.0040 -15.0040 -11.8183 -11.8183 -11.8183 -11.8183 -11.8152 -11.8152 -11.8152 -11.8152 -4.9356 -4.9356 -4.9356 -4.9356 -3.2439 -3.2439 -3.2439 -3.2439 -2.9968 -2.9968 -2.9968 -2.9968 -0.4957 -0.4957 -0.4957 -0.4957 1.1489 1.1489 1.1489 1.1489 1.4756 1.4756 1.4756 1.4756 1.5851 1.5851 1.5851 1.5851 5.2114 5.2114 5.2114 5.2114 5.3060 5.3060 5.3060 5.3060 5.8091 5.8091 5.8091 5.8091 5.9540 5.9540 5.9540 5.9540 6.6245 6.6245 6.6245 6.6245 11.9228 11.9228 11.9228 11.9228 13.0281 13.0281 13.0281 13.0281 13.1478 13.1478 13.1478 13.1478 k = 0.1571 0.0907 0.4661 ( 4956 PWs) bands (ev): -18.1522 -18.1522 -18.1522 -18.1522 -15.0107 -15.0107 -15.0107 -15.0107 -11.8199 -11.8199 -11.8199 -11.8199 -11.8165 -11.8165 -11.8165 -11.8165 -4.9268 -4.9268 -4.9268 -4.9268 -3.2369 -3.2369 -3.2369 -3.2369 -2.9761 -2.9761 -2.9761 -2.9761 -0.4728 -0.4728 -0.4728 -0.4728 1.1434 1.1434 1.1434 1.1434 1.4554 1.4554 1.4554 1.4554 1.5709 1.5709 1.5709 1.5709 5.1912 5.1912 5.1912 5.1912 5.2981 5.2981 5.2981 5.2981 5.7777 5.7777 5.7777 5.7777 5.9324 5.9324 5.9324 5.9324 6.6182 6.6182 6.6182 6.6182 11.9324 11.9324 11.9324 11.9324 13.0537 13.0537 13.0537 13.0537 13.1920 13.1920 13.1920 13.1920 k = 0.1714 0.0990 0.4661 ( 4954 PWs) bands (ev): -18.1489 -18.1489 -18.1489 -18.1489 -15.0178 -15.0178 -15.0178 -15.0178 -11.8216 -11.8216 -11.8216 -11.8216 -11.8178 -11.8178 -11.8178 -11.8178 -4.9174 -4.9174 -4.9174 -4.9174 -3.2288 -3.2288 -3.2288 -3.2288 -2.9548 -2.9548 -2.9548 -2.9548 -0.4481 -0.4481 -0.4481 -0.4481 1.1372 1.1372 1.1372 1.1372 1.4337 1.4337 1.4337 1.4337 1.5561 1.5561 1.5561 1.5561 5.1684 5.1684 5.1684 5.1684 5.2898 5.2898 5.2898 5.2898 5.7443 5.7443 5.7443 5.7443 5.9113 5.9113 5.9113 5.9113 6.6113 6.6113 6.6113 6.6113 11.9438 11.9438 11.9438 11.9438 13.0805 13.0805 13.0805 13.0805 13.2387 13.2387 13.2387 13.2387 k = 0.1857 0.1072 0.4661 ( 4956 PWs) bands (ev): -18.1454 -18.1454 -18.1454 -18.1454 -15.0254 -15.0254 -15.0254 -15.0254 -11.8234 -11.8234 -11.8234 -11.8234 -11.8192 -11.8192 -11.8192 -11.8192 -4.9075 -4.9075 -4.9075 -4.9075 -3.2196 -3.2196 -3.2196 -3.2196 -2.9329 -2.9329 -2.9329 -2.9329 -0.4217 -0.4217 -0.4217 -0.4217 1.1305 1.1305 1.1305 1.1305 1.4109 1.4109 1.4109 1.4109 1.5408 1.5408 1.5408 1.5408 5.1426 5.1426 5.1426 5.1426 5.2812 5.2812 5.2812 5.2812 5.7094 5.7094 5.7094 5.7094 5.8908 5.8908 5.8908 5.8908 6.6038 6.6038 6.6038 6.6038 11.9572 11.9572 11.9572 11.9572 13.1083 13.1083 13.1083 13.1083 13.2871 13.2871 13.2871 13.2871 k = 0.2000 0.1155 0.4661 ( 4952 PWs) bands (ev): -18.1418 -18.1418 -18.1418 -18.1418 -15.0331 -15.0331 -15.0331 -15.0331 -11.8253 -11.8253 -11.8253 -11.8253 -11.8207 -11.8207 -11.8207 -11.8207 -4.8972 -4.8972 -4.8972 -4.8972 -3.2094 -3.2094 -3.2094 -3.2094 -2.9107 -2.9107 -2.9107 -2.9107 -0.3937 -0.3937 -0.3937 -0.3937 1.1230 1.1230 1.1230 1.1230 1.3872 1.3872 1.3872 1.3872 1.5250 1.5250 1.5250 1.5250 5.1140 5.1140 5.1140 5.1140 5.2724 5.2724 5.2724 5.2724 5.6739 5.6739 5.6739 5.6739 5.8710 5.8710 5.8710 5.8710 6.5957 6.5957 6.5957 6.5957 11.9724 11.9724 11.9724 11.9724 13.1369 13.1369 13.1369 13.1369 13.3370 13.3370 13.3370 13.3370 k = 0.2143 0.1237 0.4661 ( 4956 PWs) bands (ev): -18.1380 -18.1380 -18.1380 -18.1380 -15.0412 -15.0412 -15.0412 -15.0412 -11.8272 -11.8272 -11.8272 -11.8272 -11.8222 -11.8222 -11.8222 -11.8222 -4.8865 -4.8865 -4.8865 -4.8865 -3.1983 -3.1983 -3.1983 -3.1983 -2.8884 -2.8884 -2.8884 -2.8884 -0.3643 -0.3643 -0.3643 -0.3643 1.1146 1.1146 1.1146 1.1146 1.3631 1.3631 1.3631 1.3631 1.5087 1.5087 1.5087 1.5087 5.0824 5.0824 5.0824 5.0824 5.2633 5.2633 5.2633 5.2633 5.6384 5.6384 5.6384 5.6384 5.8519 5.8519 5.8519 5.8519 6.5872 6.5872 6.5872 6.5872 11.9896 11.9896 11.9896 11.9896 13.1661 13.1661 13.1661 13.1661 13.3877 13.3877 13.3877 13.3877 k = 0.2286 0.1320 0.4661 ( 4946 PWs) bands (ev): -18.1341 -18.1341 -18.1341 -18.1341 -15.0494 -15.0494 -15.0494 -15.0494 -11.8291 -11.8291 -11.8291 -11.8291 -11.8238 -11.8238 -11.8238 -11.8238 -4.8756 -4.8756 -4.8756 -4.8756 -3.1864 -3.1864 -3.1864 -3.1864 -2.8660 -2.8660 -2.8660 -2.8660 -0.3336 -0.3336 -0.3336 -0.3336 1.1054 1.1054 1.1054 1.1054 1.3388 1.3388 1.3388 1.3388 1.4921 1.4921 1.4921 1.4921 5.0479 5.0479 5.0479 5.0479 5.2540 5.2540 5.2540 5.2540 5.6036 5.6036 5.6036 5.6036 5.8337 5.8337 5.8337 5.8337 6.5783 6.5783 6.5783 6.5783 12.0086 12.0086 12.0086 12.0086 13.1956 13.1956 13.1956 13.1956 13.4386 13.4386 13.4386 13.4386 k = 0.2429 0.1402 0.4661 ( 4950 PWs) bands (ev): -18.1302 -18.1302 -18.1302 -18.1302 -15.0577 -15.0577 -15.0577 -15.0577 -11.8311 -11.8311 -11.8311 -11.8311 -11.8253 -11.8253 -11.8253 -11.8253 -4.8644 -4.8644 -4.8644 -4.8644 -3.1738 -3.1738 -3.1738 -3.1738 -2.8437 -2.8437 -2.8437 -2.8437 -0.3018 -0.3018 -0.3018 -0.3018 1.0952 1.0952 1.0952 1.0952 1.3149 1.3149 1.3149 1.3149 1.4752 1.4752 1.4752 1.4752 5.0105 5.0105 5.0105 5.0105 5.2446 5.2446 5.2446 5.2446 5.5699 5.5699 5.5699 5.5699 5.8163 5.8163 5.8163 5.8163 6.5690 6.5690 6.5690 6.5690 12.0294 12.0294 12.0294 12.0294 13.2252 13.2252 13.2252 13.2252 13.4892 13.4892 13.4892 13.4892 k = 0.2571 0.1485 0.4661 ( 4950 PWs) bands (ev): -18.1262 -18.1262 -18.1262 -18.1262 -15.0661 -15.0661 -15.0661 -15.0661 -11.8331 -11.8331 -11.8331 -11.8331 -11.8269 -11.8269 -11.8269 -11.8269 -4.8532 -4.8532 -4.8532 -4.8532 -3.1605 -3.1605 -3.1605 -3.1605 -2.8217 -2.8217 -2.8217 -2.8217 -0.2692 -0.2692 -0.2692 -0.2692 1.0837 1.0837 1.0837 1.0837 1.2918 1.2918 1.2918 1.2918 1.4580 1.4580 1.4580 1.4580 4.9705 4.9705 4.9705 4.9705 5.2351 5.2351 5.2351 5.2351 5.5378 5.5378 5.5378 5.5378 5.7997 5.7997 5.7997 5.7997 6.5595 6.5595 6.5595 6.5595 12.0519 12.0519 12.0519 12.0519 13.2547 13.2547 13.2547 13.2547 13.5387 13.5387 13.5387 13.5387 k = 0.2714 0.1567 0.4661 ( 4950 PWs) bands (ev): -18.1223 -18.1223 -18.1223 -18.1223 -15.0744 -15.0744 -15.0744 -15.0744 -11.8351 -11.8351 -11.8351 -11.8351 -11.8284 -11.8284 -11.8284 -11.8284 -4.8419 -4.8419 -4.8419 -4.8419 -3.1469 -3.1469 -3.1469 -3.1469 -2.8001 -2.8001 -2.8001 -2.8001 -0.2360 -0.2360 -0.2360 -0.2360 1.0710 1.0710 1.0710 1.0710 1.2699 1.2699 1.2699 1.2699 1.4408 1.4408 1.4408 1.4408 4.9282 4.9282 4.9282 4.9282 5.2256 5.2256 5.2256 5.2256 5.5075 5.5075 5.5075 5.5075 5.7841 5.7841 5.7841 5.7841 6.5499 6.5499 6.5499 6.5499 12.0759 12.0759 12.0759 12.0759 13.2839 13.2839 13.2839 13.2839 13.5866 13.5866 13.5866 13.5866 k = 0.2857 0.1650 0.4661 ( 4952 PWs) bands (ev): -18.1183 -18.1183 -18.1183 -18.1183 -15.0827 -15.0827 -15.0827 -15.0827 -11.8370 -11.8370 -11.8370 -11.8370 -11.8300 -11.8300 -11.8300 -11.8300 -4.8307 -4.8307 -4.8307 -4.8307 -3.1329 -3.1329 -3.1329 -3.1329 -2.7791 -2.7791 -2.7791 -2.7791 -0.2024 -0.2024 -0.2024 -0.2024 1.0569 1.0569 1.0569 1.0569 1.2496 1.2496 1.2496 1.2496 1.4237 1.4237 1.4237 1.4237 4.8840 4.8840 4.8840 4.8840 5.2162 5.2162 5.2162 5.2162 5.4794 5.4794 5.4794 5.4794 5.7695 5.7695 5.7695 5.7695 6.5402 6.5402 6.5402 6.5402 12.1012 12.1012 12.1012 12.1012 13.3125 13.3125 13.3125 13.3125 13.6320 13.6320 13.6320 13.6320 k = 0.3000 0.1732 0.4661 ( 4944 PWs) bands (ev): -18.1145 -18.1145 -18.1144 -18.1144 -15.0908 -15.0908 -15.0908 -15.0908 -11.8389 -11.8389 -11.8389 -11.8389 -11.8315 -11.8315 -11.8315 -11.8315 -4.8197 -4.8197 -4.8197 -4.8197 -3.1187 -3.1187 -3.1187 -3.1187 -2.7587 -2.7587 -2.7587 -2.7587 -0.1686 -0.1686 -0.1686 -0.1686 1.0415 1.0415 1.0415 1.0415 1.2312 1.2312 1.2312 1.2312 1.4066 1.4066 1.4066 1.4066 4.8386 4.8386 4.8386 4.8386 5.2069 5.2069 5.2069 5.2069 5.4533 5.4533 5.4533 5.4533 5.7558 5.7558 5.7558 5.7558 6.5305 6.5305 6.5305 6.5305 12.1276 12.1276 12.1276 12.1276 13.3404 13.3404 13.3404 13.3404 13.6741 13.6741 13.6741 13.6741 k = 0.3143 0.1815 0.4661 ( 4942 PWs) bands (ev): -18.1107 -18.1107 -18.1107 -18.1107 -15.0986 -15.0986 -15.0986 -15.0986 -11.8408 -11.8408 -11.8408 -11.8408 -11.8330 -11.8330 -11.8330 -11.8330 -4.8089 -4.8089 -4.8089 -4.8089 -3.1046 -3.1046 -3.1046 -3.1046 -2.7392 -2.7392 -2.7392 -2.7392 -0.1351 -0.1351 -0.1351 -0.1351 1.0248 1.0248 1.0248 1.0248 1.2148 1.2148 1.2148 1.2148 1.3899 1.3899 1.3899 1.3899 4.7925 4.7925 4.7925 4.7925 5.1979 5.1979 5.1979 5.1979 5.4294 5.4294 5.4294 5.4294 5.7431 5.7431 5.7431 5.7431 6.5210 6.5210 6.5210 6.5210 12.1548 12.1548 12.1548 12.1548 13.3673 13.3673 13.3673 13.3673 13.7124 13.7124 13.7124 13.7124 k = 0.3286 0.1897 0.4661 ( 4946 PWs) bands (ev): -18.1070 -18.1070 -18.1070 -18.1070 -15.1062 -15.1062 -15.1062 -15.1062 -11.8425 -11.8425 -11.8425 -11.8425 -11.8344 -11.8344 -11.8344 -11.8344 -4.7985 -4.7985 -4.7985 -4.7985 -3.0906 -3.0906 -3.0906 -3.0906 -2.7206 -2.7206 -2.7206 -2.7206 -0.1021 -0.1021 -0.1021 -0.1021 1.0073 1.0073 1.0073 1.0073 1.2004 1.2004 1.2004 1.2004 1.3735 1.3735 1.3735 1.3735 4.7463 4.7463 4.7463 4.7463 5.1892 5.1892 5.1892 5.1892 5.4076 5.4076 5.4076 5.4076 5.7314 5.7314 5.7314 5.7314 6.5117 6.5117 6.5117 6.5117 12.1825 12.1825 12.1825 12.1825 13.3931 13.3931 13.3931 13.3931 13.7460 13.7460 13.7460 13.7460 k = 0.3429 0.1979 0.4661 ( 4940 PWs) bands (ev): -18.1035 -18.1035 -18.1035 -18.1035 -15.1134 -15.1134 -15.1134 -15.1134 -11.8442 -11.8442 -11.8442 -11.8442 -11.8357 -11.8357 -11.8357 -11.8357 -4.7885 -4.7885 -4.7885 -4.7885 -3.0769 -3.0769 -3.0769 -3.0769 -2.7030 -2.7030 -2.7030 -2.7030 -0.0698 -0.0698 -0.0698 -0.0698 0.9892 0.9892 0.9892 0.9892 1.1880 1.1880 1.1880 1.1880 1.3577 1.3577 1.3577 1.3577 4.7007 4.7007 4.7007 4.7007 5.1809 5.1809 5.1809 5.1809 5.3878 5.3878 5.3878 5.3878 5.7207 5.7207 5.7207 5.7207 6.5028 6.5028 6.5028 6.5028 12.2104 12.2104 12.2104 12.2104 13.4175 13.4175 13.4175 13.4175 13.7746 13.7746 13.7746 13.7746 k = 0.3571 0.2062 0.4661 ( 4940 PWs) bands (ev): -18.1002 -18.1002 -18.1002 -18.1002 -15.1202 -15.1202 -15.1202 -15.1202 -11.8458 -11.8458 -11.8458 -11.8458 -11.8370 -11.8370 -11.8370 -11.8370 -4.7791 -4.7791 -4.7791 -4.7791 -3.0637 -3.0637 -3.0637 -3.0637 -2.6866 -2.6866 -2.6866 -2.6866 -0.0388 -0.0388 -0.0388 -0.0388 0.9710 0.9710 0.9710 0.9710 1.1773 1.1773 1.1773 1.1773 1.3427 1.3427 1.3427 1.3427 4.6563 4.6563 4.6563 4.6563 5.1731 5.1731 5.1731 5.1731 5.3700 5.3700 5.3700 5.3700 5.7110 5.7110 5.7110 5.7110 6.4943 6.4943 6.4943 6.4943 12.2381 12.2381 12.2381 12.2381 13.4405 13.4405 13.4405 13.4405 13.7978 13.7978 13.7978 13.7978 k = 0.3714 0.2144 0.4661 ( 4940 PWs) bands (ev): -18.0971 -18.0971 -18.0971 -18.0971 -15.1266 -15.1266 -15.1266 -15.1266 -11.8473 -11.8473 -11.8473 -11.8473 -11.8382 -11.8382 -11.8382 -11.8382 -4.7703 -4.7703 -4.7703 -4.7703 -3.0512 -3.0512 -3.0512 -3.0512 -2.6714 -2.6714 -2.6714 -2.6714 -0.0093 -0.0093 -0.0093 -0.0093 0.9532 0.9532 0.9532 0.9532 1.1681 1.1681 1.1681 1.1681 1.3285 1.3285 1.3285 1.3285 4.6139 4.6139 4.6139 4.6139 5.1659 5.1659 5.1659 5.1659 5.3540 5.3540 5.3540 5.3540 5.7023 5.7023 5.7023 5.7023 6.4863 6.4863 6.4863 6.4863 12.2652 12.2652 12.2652 12.2652 13.4617 13.4617 13.4617 13.4617 13.8158 13.8158 13.8158 13.8158 k = 0.3857 0.2227 0.4661 ( 4938 PWs) bands (ev): -18.0943 -18.0943 -18.0943 -18.0943 -15.1324 -15.1324 -15.1324 -15.1324 -11.8487 -11.8487 -11.8487 -11.8487 -11.8393 -11.8393 -11.8393 -11.8393 -4.7621 -4.7621 -4.7621 -4.7621 -3.0394 -3.0394 -3.0394 -3.0394 -2.6576 -2.6576 -2.6576 -2.6576 0.0183 0.0183 0.0183 0.0183 0.9362 0.9362 0.9362 0.9362 1.1603 1.1603 1.1603 1.1603 1.3154 1.3154 1.3154 1.3154 4.5741 4.5741 4.5741 4.5741 5.1592 5.1592 5.1592 5.1592 5.3399 5.3399 5.3399 5.3399 5.6945 5.6945 5.6945 5.6945 6.4789 6.4789 6.4789 6.4789 12.2912 12.2912 12.2912 12.2912 13.4811 13.4811 13.4811 13.4811 13.8288 13.8288 13.8288 13.8288 k = 0.4000 0.2309 0.4661 ( 4936 PWs) bands (ev): -18.0917 -18.0917 -18.0917 -18.0917 -15.1377 -15.1377 -15.1377 -15.1377 -11.8499 -11.8499 -11.8499 -11.8499 -11.8403 -11.8403 -11.8403 -11.8403 -4.7548 -4.7548 -4.7548 -4.7548 -3.0287 -3.0287 -3.0287 -3.0287 -2.6452 -2.6452 -2.6452 -2.6452 0.0437 0.0437 0.0437 0.0437 0.9203 0.9203 0.9203 0.9203 1.1537 1.1537 1.1537 1.1537 1.3034 1.3034 1.3034 1.3034 4.5373 4.5373 4.5373 4.5373 5.1532 5.1532 5.1532 5.1532 5.3276 5.3276 5.3276 5.3276 5.6877 5.6877 5.6877 5.6877 6.4721 6.4721 6.4721 6.4721 12.3158 12.3158 12.3158 12.3158 13.4985 13.4985 13.4985 13.4985 13.8374 13.8374 13.8374 13.8374 k = 0.4143 0.2392 0.4661 ( 4946 PWs) bands (ev): -18.0895 -18.0895 -18.0895 -18.0895 -15.1423 -15.1423 -15.1423 -15.1423 -11.8510 -11.8510 -11.8510 -11.8510 -11.8411 -11.8411 -11.8411 -11.8411 -4.7483 -4.7483 -4.7483 -4.7483 -3.0190 -3.0190 -3.0190 -3.0190 -2.6343 -2.6343 -2.6343 -2.6343 0.0664 0.0664 0.0664 0.0664 0.9059 0.9059 0.9059 0.9059 1.1482 1.1482 1.1482 1.1482 1.2927 1.2927 1.2927 1.2927 4.5043 4.5043 4.5043 4.5043 5.1479 5.1479 5.1479 5.1479 5.3169 5.3169 5.3169 5.3169 5.6818 5.6818 5.6818 5.6818 6.4662 6.4662 6.4662 6.4662 12.3383 12.3383 12.3383 12.3383 13.5138 13.5138 13.5138 13.5138 13.8424 13.8424 13.8424 13.8424 k = 0.4286 0.2474 0.4661 ( 4948 PWs) bands (ev): -18.0875 -18.0875 -18.0875 -18.0875 -15.1463 -15.1463 -15.1463 -15.1463 -11.8519 -11.8519 -11.8519 -11.8519 -11.8419 -11.8419 -11.8419 -11.8419 -4.7426 -4.7426 -4.7426 -4.7426 -3.0106 -3.0106 -3.0106 -3.0106 -2.6250 -2.6250 -2.6250 -2.6250 0.0863 0.0863 0.0863 0.0863 0.8933 0.8933 0.8933 0.8933 1.1437 1.1437 1.1437 1.1437 1.2834 1.2834 1.2834 1.2834 4.4754 4.4754 4.4754 4.4754 5.1434 5.1434 5.1434 5.1434 5.3080 5.3080 5.3080 5.3080 5.6769 5.6769 5.6769 5.6769 6.4610 6.4610 6.4610 6.4610 12.3584 12.3584 12.3584 12.3584 13.5269 13.5269 13.5269 13.5269 13.8447 13.8447 13.8447 13.8447 k = 0.4429 0.2557 0.4661 ( 4940 PWs) bands (ev): -18.0859 -18.0859 -18.0859 -18.0859 -15.1497 -15.1497 -15.1497 -15.1497 -11.8527 -11.8527 -11.8527 -11.8527 -11.8425 -11.8425 -11.8425 -11.8425 -4.7379 -4.7379 -4.7379 -4.7379 -3.0035 -3.0035 -3.0035 -3.0035 -2.6173 -2.6173 -2.6173 -2.6173 0.1031 0.1031 0.1031 0.1031 0.8827 0.8827 0.8827 0.8827 1.1401 1.1401 1.1401 1.1401 1.2757 1.2757 1.2757 1.2757 4.4511 4.4511 4.4511 4.4511 5.1396 5.1396 5.1396 5.1396 5.3007 5.3007 5.3007 5.3007 5.6729 5.6729 5.6729 5.6729 6.4567 6.4567 6.4567 6.4567 12.3756 12.3756 12.3756 12.3756 13.5377 13.5377 13.5377 13.5377 13.8452 13.8452 13.8452 13.8452 k = 0.4571 0.2639 0.4661 ( 4952 PWs) bands (ev): -18.0846 -18.0846 -18.0846 -18.0846 -15.1523 -15.1523 -15.1523 -15.1523 -11.8533 -11.8533 -11.8533 -11.8533 -11.8430 -11.8430 -11.8430 -11.8430 -4.7343 -4.7343 -4.7343 -4.7343 -2.9979 -2.9979 -2.9979 -2.9979 -2.6113 -2.6113 -2.6113 -2.6113 0.1163 0.1163 0.1163 0.1163 0.8743 0.8743 0.8743 0.8743 1.1373 1.1373 1.1373 1.1373 1.2695 1.2695 1.2695 1.2695 4.4318 4.4318 4.4318 4.4318 5.1367 5.1367 5.1367 5.1367 5.2950 5.2950 5.2951 5.2951 5.6698 5.6698 5.6698 5.6698 6.4532 6.4532 6.4532 6.4532 12.3895 12.3895 12.3895 12.3895 13.5462 13.5462 13.5462 13.5462 13.8447 13.8447 13.8447 13.8447 k = 0.4714 0.2722 0.4661 ( 4952 PWs) bands (ev): -18.0837 -18.0837 -18.0836 -18.0836 -15.1542 -15.1542 -15.1542 -15.1542 -11.8537 -11.8537 -11.8537 -11.8537 -11.8434 -11.8434 -11.8434 -11.8434 -4.7316 -4.7316 -4.7316 -4.7316 -2.9938 -2.9938 -2.9938 -2.9938 -2.6069 -2.6069 -2.6069 -2.6069 0.1260 0.1260 0.1260 0.1260 0.8682 0.8682 0.8682 0.8682 1.1353 1.1353 1.1353 1.1353 1.2651 1.2651 1.2651 1.2651 4.4179 4.4179 4.4179 4.4179 5.1346 5.1346 5.1346 5.1346 5.2910 5.2910 5.2910 5.2910 5.6676 5.6676 5.6676 5.6676 6.4508 6.4508 6.4508 6.4508 12.3997 12.3997 12.3997 12.3997 13.5523 13.5523 13.5523 13.5523 13.8438 13.8438 13.8438 13.8438 k = 0.4857 0.2804 0.4661 ( 4956 PWs) bands (ev): -18.0831 -18.0831 -18.0831 -18.0831 -15.1553 -15.1553 -15.1553 -15.1553 -11.8540 -11.8540 -11.8540 -11.8540 -11.8436 -11.8436 -11.8436 -11.8436 -4.7300 -4.7300 -4.7300 -4.7300 -2.9914 -2.9914 -2.9914 -2.9914 -2.6043 -2.6043 -2.6043 -2.6043 0.1318 0.1318 0.1318 0.1318 0.8645 0.8645 0.8645 0.8645 1.1342 1.1342 1.1342 1.1342 1.2624 1.2624 1.2624 1.2624 4.4094 4.4094 4.4094 4.4094 5.1333 5.1333 5.1333 5.1333 5.2886 5.2886 5.2886 5.2886 5.6662 5.6662 5.6662 5.6662 6.4493 6.4493 6.4493 6.4493 12.4059 12.4059 12.4059 12.4059 13.5559 13.5559 13.5559 13.5559 13.8431 13.8431 13.8431 13.8431 k = 0.5000 0.2887 0.4661 ( 4960 PWs) bands (ev): -18.0829 -18.0829 -18.0829 -18.0829 -15.1557 -15.1557 -15.1557 -15.1557 -11.8541 -11.8541 -11.8541 -11.8541 -11.8437 -11.8437 -11.8437 -11.8437 -4.7295 -4.7295 -4.7295 -4.7295 -2.9905 -2.9905 -2.9905 -2.9905 -2.6035 -2.6035 -2.6035 -2.6035 0.1338 0.1338 0.1338 0.1338 0.8633 0.8633 0.8633 0.8633 1.1338 1.1338 1.1338 1.1338 1.2615 1.2615 1.2615 1.2615 4.4065 4.4065 4.4065 4.4065 5.1328 5.1328 5.1328 5.1328 5.2878 5.2878 5.2878 5.2878 5.6658 5.6658 5.6658 5.6658 6.4488 6.4488 6.4488 6.4488 12.4080 12.4080 12.4080 12.4080 13.5571 13.5571 13.5571 13.5571 13.8428 13.8428 13.8428 13.8428 k = 0.5000 0.2887 0.4661 ( 4960 PWs) bands (ev): -18.0829 -18.0829 -18.0829 -18.0829 -15.1557 -15.1557 -15.1557 -15.1557 -11.8541 -11.8541 -11.8541 -11.8541 -11.8437 -11.8437 -11.8437 -11.8437 -4.7295 -4.7295 -4.7295 -4.7295 -2.9905 -2.9905 -2.9905 -2.9905 -2.6035 -2.6035 -2.6035 -2.6035 0.1338 0.1338 0.1338 0.1338 0.8633 0.8633 0.8633 0.8633 1.1338 1.1338 1.1338 1.1338 1.2615 1.2615 1.2615 1.2615 4.4065 4.4065 4.4065 4.4065 5.1328 5.1328 5.1328 5.1328 5.2878 5.2878 5.2878 5.2878 5.6658 5.6658 5.6658 5.6658 6.4488 6.4488 6.4488 6.4488 12.4080 12.4080 12.4080 12.4080 13.5571 13.5571 13.5571 13.5571 13.8428 13.8428 13.8428 13.8428 k = 0.4917 0.3031 0.4661 ( 4954 PWs) bands (ev): -18.0828 -18.0828 -18.0828 -18.0828 -15.1560 -15.1560 -15.1556 -15.1556 -11.8622 -11.8622 -11.8560 -11.8560 -11.8412 -11.8412 -11.8362 -11.8362 -4.7321 -4.7321 -4.7264 -4.7264 -2.9924 -2.9924 -2.9879 -2.9879 -2.6107 -2.6107 -2.5961 -2.5961 0.1298 0.1298 0.1388 0.1388 0.8615 0.8615 0.8619 0.8619 1.1326 1.1326 1.1344 1.1344 1.2624 1.2624 1.2631 1.2631 4.4062 4.4062 4.4066 4.4066 5.1294 5.1294 5.1356 5.1356 5.2878 5.2878 5.2884 5.2884 5.6650 5.6650 5.6663 5.6663 6.4461 6.4461 6.4480 6.4480 12.4091 12.4091 12.4093 12.4093 13.5526 13.5526 13.5582 13.5582 13.8416 13.8416 13.8474 13.8474 k = 0.4833 0.3175 0.4661 ( 4950 PWs) bands (ev): -18.0827 -18.0827 -18.0827 -18.0827 -15.1566 -15.1566 -15.1557 -15.1557 -11.8714 -11.8714 -11.8641 -11.8641 -11.8326 -11.8326 -11.8277 -11.8277 -4.7342 -4.7342 -4.7230 -4.7230 -2.9934 -2.9934 -2.9843 -2.9843 -2.6178 -2.6178 -2.5885 -2.5885 0.1268 0.1268 0.1447 0.1447 0.8568 0.8568 0.8576 0.8576 1.1309 1.1309 1.1345 1.1345 1.2658 1.2658 1.2669 1.2669 4.4054 4.4054 4.4063 4.4063 5.1254 5.1254 5.1375 5.1375 5.2881 5.2881 5.2895 5.2895 5.6639 5.6639 5.6665 5.6665 6.4398 6.4398 6.4436 6.4436 12.4125 12.4125 12.4130 12.4130 13.5450 13.5450 13.5558 13.5558 13.8437 13.8437 13.8550 13.8550 k = 0.4750 0.3320 0.4661 ( 4950 PWs) bands (ev): -18.0823 -18.0823 -18.0823 -18.0823 -15.1573 -15.1573 -15.1561 -15.1561 -11.8808 -11.8808 -11.8727 -11.8727 -11.8236 -11.8236 -11.8193 -11.8193 -4.7360 -4.7360 -4.7193 -4.7193 -2.9938 -2.9938 -2.9798 -2.9798 -2.6249 -2.6249 -2.5808 -2.5808 0.1248 0.1248 0.1516 0.1516 0.8493 0.8493 0.8505 0.8505 1.1290 1.1290 1.1341 1.1341 1.2713 1.2713 1.2726 1.2726 4.4043 4.4043 4.4057 4.4057 5.1208 5.1208 5.1388 5.1388 5.2887 5.2887 5.2911 5.2911 5.6625 5.6625 5.6664 5.6664 6.4301 6.4301 6.4359 6.4359 12.4182 12.4182 12.4190 12.4190 13.5346 13.5346 13.5501 13.5501 13.8492 13.8492 13.8651 13.8651 k = 0.4667 0.3464 0.4661 ( 4946 PWs) bands (ev): -18.0819 -18.0819 -18.0819 -18.0819 -15.1583 -15.1583 -15.1567 -15.1567 -11.8900 -11.8900 -11.8813 -11.8813 -11.8148 -11.8148 -11.8110 -11.8110 -4.7372 -4.7372 -4.7152 -4.7152 -2.9934 -2.9934 -2.9743 -2.9743 -2.6318 -2.6318 -2.5729 -2.5729 0.1238 0.1238 0.1593 0.1593 0.8393 0.8393 0.8410 0.8410 1.1269 1.1269 1.1334 1.1334 1.2784 1.2784 1.2798 1.2798 4.4029 4.4029 4.4047 4.4047 5.1161 5.1161 5.1397 5.1397 5.2894 5.2894 5.2929 5.2929 5.6609 5.6609 5.6661 5.6661 6.4172 6.4172 6.4251 6.4251 12.4263 12.4263 12.4273 12.4273 13.5220 13.5220 13.5413 13.5413 13.8574 13.8574 13.8774 13.8774 k = 0.4583 0.3608 0.4661 ( 4946 PWs) bands (ev): -18.0814 -18.0814 -18.0814 -18.0814 -15.1595 -15.1595 -15.1575 -15.1575 -11.8990 -11.8990 -11.8897 -11.8897 -11.8063 -11.8063 -11.8029 -11.8029 -4.7381 -4.7381 -4.7109 -4.7109 -2.9925 -2.9925 -2.9678 -2.9678 -2.6388 -2.6388 -2.5649 -2.5649 0.1238 0.1238 0.1678 0.1678 0.8273 0.8273 0.8296 0.8296 1.1248 1.1248 1.1324 1.1324 1.2868 1.2868 1.2879 1.2879 4.4010 4.4010 4.4033 4.4033 5.1112 5.1112 5.1402 5.1402 5.2898 5.2898 5.2949 5.2949 5.6592 5.6592 5.6654 5.6654 6.4014 6.4014 6.4115 6.4115 12.4366 12.4366 12.4378 12.4378 13.5076 13.5076 13.5299 13.5299 13.8680 13.8680 13.8913 13.8913 k = 0.4500 0.3753 0.4661 ( 4946 PWs) bands (ev): -18.0808 -18.0808 -18.0808 -18.0808 -15.1609 -15.1609 -15.1585 -15.1585 -11.9078 -11.9078 -11.8979 -11.8979 -11.7980 -11.7980 -11.7952 -11.7952 -4.7384 -4.7384 -4.7063 -4.7063 -2.9911 -2.9911 -2.9603 -2.9603 -2.6457 -2.6457 -2.5568 -2.5568 0.1247 0.1247 0.1770 0.1770 0.8137 0.8137 0.8166 0.8166 1.1228 1.1228 1.1314 1.1314 1.2959 1.2959 1.2965 1.2965 4.3988 4.3988 4.4016 4.4016 5.1066 5.1066 5.1407 5.1407 5.2898 5.2898 5.2967 5.2967 5.6574 5.6574 5.6646 5.6646 6.3831 6.3831 6.3954 6.3954 12.4489 12.4489 12.4504 12.4504 13.4917 13.4917 13.5164 13.5164 13.8804 13.8804 13.9063 13.9063 k = 0.4417 0.3897 0.4661 ( 4950 PWs) bands (ev): -18.0801 -18.0801 -18.0801 -18.0801 -15.1624 -15.1624 -15.1597 -15.1597 -11.9163 -11.9163 -11.9058 -11.9058 -11.7902 -11.7902 -11.7879 -11.7879 -4.7384 -4.7384 -4.7017 -4.7017 -2.9893 -2.9893 -2.9519 -2.9519 -2.6528 -2.6528 -2.5486 -2.5486 0.1265 0.1265 0.1867 0.1867 0.7990 0.7990 0.8026 0.8026 1.1210 1.1210 1.1303 1.1303 1.3052 1.3052 1.3053 1.3053 4.3961 4.3961 4.3995 4.3995 5.1024 5.1024 5.1414 5.1414 5.2892 5.2892 5.2981 5.2981 5.6554 5.6554 5.6635 5.6635 6.3628 6.3628 6.3775 6.3775 12.4632 12.4632 12.4649 12.4649 13.4746 13.4746 13.5012 13.5012 13.8942 13.8942 13.9222 13.9222 k = 0.4333 0.4041 0.4661 ( 4950 PWs) bands (ev): -18.0793 -18.0793 -18.0793 -18.0793 -15.1640 -15.1640 -15.1610 -15.1610 -11.9243 -11.9243 -11.9133 -11.9133 -11.7829 -11.7829 -11.7810 -11.7810 -4.7380 -4.7380 -4.6969 -4.6969 -2.9871 -2.9871 -2.9425 -2.9425 -2.6600 -2.6600 -2.5404 -2.5404 0.1291 0.1291 0.1970 0.1970 0.7836 0.7836 0.7880 0.7880 1.1192 1.1192 1.1293 1.1293 1.3136 1.3136 1.3147 1.3147 4.3929 4.3929 4.3970 4.3970 5.0988 5.0988 5.1425 5.1425 5.2878 5.2878 5.2988 5.2988 5.6535 5.6535 5.6623 5.6623 6.3409 6.3409 6.3581 6.3581 12.4793 12.4793 12.4811 12.4811 13.4567 13.4567 13.4847 13.4847 13.9088 13.9088 13.9384 13.9384 k = 0.4250 0.4186 0.4661 ( 4954 PWs) bands (ev): -18.0784 -18.0784 -18.0784 -18.0784 -15.1657 -15.1657 -15.1624 -15.1624 -11.9319 -11.9319 -11.9204 -11.9204 -11.7760 -11.7760 -11.7745 -11.7745 -4.7373 -4.7373 -4.6921 -4.6921 -2.9847 -2.9847 -2.9322 -2.9322 -2.6674 -2.6674 -2.5324 -2.5324 0.1323 0.1323 0.2075 0.2075 0.7679 0.7679 0.7731 0.7731 1.1175 1.1175 1.1283 1.1283 1.3216 1.3216 1.3236 1.3236 4.3893 4.3893 4.3941 4.3941 5.0959 5.0959 5.1442 5.1442 5.2855 5.2855 5.2986 5.2986 5.6516 5.6516 5.6609 5.6609 6.3180 6.3180 6.3378 6.3378 12.4971 12.4971 12.4989 12.4989 13.4380 13.4380 13.4672 13.4672 13.9238 13.9238 13.9548 13.9548 k = 0.4167 0.4330 0.4661 ( 4954 PWs) bands (ev): -18.0776 -18.0776 -18.0776 -18.0776 -15.1675 -15.1675 -15.1639 -15.1639 -11.9390 -11.9390 -11.9270 -11.9270 -11.7697 -11.7697 -11.7686 -11.7686 -4.7362 -4.7362 -4.6874 -4.6874 -2.9821 -2.9821 -2.9210 -2.9210 -2.6750 -2.6750 -2.5244 -2.5244 0.1362 0.1362 0.2182 0.2182 0.7522 0.7522 0.7583 0.7583 1.1160 1.1160 1.1274 1.1274 1.3290 1.3290 1.3320 1.3320 4.3853 4.3853 4.3909 4.3909 5.0938 5.0938 5.1466 5.1466 5.2822 5.2822 5.2974 5.2974 5.6498 5.6498 5.6595 5.6595 6.2948 6.2948 6.3171 6.3171 12.5161 12.5161 12.5180 12.5180 13.4190 13.4190 13.4489 13.4489 13.9389 13.9389 13.9710 13.9710 k = 0.4083 0.4474 0.4661 ( 4952 PWs) bands (ev): -18.0767 -18.0767 -18.0767 -18.0767 -15.1694 -15.1694 -15.1655 -15.1655 -11.9456 -11.9456 -11.9331 -11.9331 -11.7640 -11.7640 -11.7631 -11.7631 -4.7350 -4.7350 -4.6828 -4.6828 -2.9794 -2.9794 -2.9091 -2.9091 -2.6830 -2.6830 -2.5167 -2.5167 0.1405 0.1405 0.2289 0.2289 0.7369 0.7369 0.7439 0.7439 1.1146 1.1146 1.1265 1.1265 1.3355 1.3355 1.3396 1.3396 4.3810 4.3810 4.3873 4.3873 5.0925 5.0925 5.1498 5.1498 5.2779 5.2779 5.2950 5.2950 5.6480 5.6480 5.6580 5.6580 6.2717 6.2717 6.2967 6.2967 12.5361 12.5361 12.5381 12.5381 13.3997 13.3997 13.4303 13.4303 13.9537 13.9537 13.9867 13.9867 k = 0.4000 0.4619 0.4661 ( 4944 PWs) bands (ev): -18.0758 -18.0758 -18.0758 -18.0758 -15.1712 -15.1712 -15.1670 -15.1670 -11.9515 -11.9515 -11.9386 -11.9386 -11.7588 -11.7588 -11.7583 -11.7583 -4.7336 -4.7336 -4.6785 -4.6785 -2.9766 -2.9766 -2.8964 -2.8964 -2.6913 -2.6913 -2.5094 -2.5094 0.1452 0.1452 0.2394 0.2394 0.7223 0.7223 0.7302 0.7302 1.1133 1.1133 1.1257 1.1257 1.3412 1.3412 1.3464 1.3464 4.3763 4.3763 4.3835 4.3835 5.0921 5.0921 5.1540 5.1540 5.2727 5.2727 5.2914 5.2914 5.6465 5.6465 5.6566 5.6566 6.2495 6.2495 6.2770 6.2770 12.5568 12.5568 12.5588 12.5588 13.3804 13.3804 13.4116 13.4116 13.9680 13.9680 14.0017 14.0017 k = 0.3917 0.4763 0.4661 ( 4940 PWs) bands (ev): -18.0749 -18.0749 -18.0749 -18.0749 -15.1729 -15.1729 -15.1686 -15.1686 -11.9569 -11.9569 -11.9435 -11.9435 -11.7542 -11.7542 -11.7540 -11.7540 -4.7320 -4.7320 -4.6743 -4.6743 -2.9739 -2.9739 -2.8832 -2.8832 -2.7000 -2.7000 -2.5025 -2.5025 0.1500 0.1500 0.2495 0.2495 0.7087 0.7087 0.7175 0.7175 1.1121 1.1121 1.1250 1.1250 1.3459 1.3459 1.3522 1.3522 4.3714 4.3714 4.3794 4.3794 5.0926 5.0926 5.1589 5.1589 5.2668 5.2668 5.2864 5.2864 5.6450 5.6450 5.6551 5.6551 6.2286 6.2286 6.2585 6.2585 12.5777 12.5777 12.5796 12.5796 13.3615 13.3615 13.3931 13.3931 13.9813 13.9813 14.0156 14.0156 k = 0.3833 0.4907 0.4661 ( 4940 PWs) bands (ev): -18.0741 -18.0741 -18.0741 -18.0741 -15.1745 -15.1745 -15.1700 -15.1700 -11.9615 -11.9615 -11.9479 -11.9479 -11.7503 -11.7503 -11.7503 -11.7503 -4.7304 -4.7304 -4.6706 -4.6706 -2.9714 -2.9714 -2.8696 -2.8696 -2.7092 -2.7092 -2.4962 -2.4962 0.1548 0.1548 0.2590 0.2590 0.6963 0.6963 0.7060 0.7060 1.1111 1.1111 1.1243 1.1243 1.3497 1.3497 1.3571 1.3571 4.3664 4.3664 4.3754 4.3754 5.0937 5.0937 5.1648 5.1648 5.2604 5.2604 5.2803 5.2803 5.6437 5.6437 5.6538 5.6538 6.2095 6.2095 6.2417 6.2417 12.5982 12.5982 12.6000 12.6000 13.3434 13.3434 13.3754 13.3754 13.9935 13.9935 14.0283 14.0283 k = 0.3750 0.5052 0.4661 ( 4946 PWs) bands (ev): -18.0734 -18.0734 -18.0733 -18.0733 -15.1761 -15.1761 -15.1714 -15.1714 -11.9655 -11.9655 -11.9516 -11.9516 -11.7472 -11.7472 -11.7470 -11.7470 -4.7289 -4.7289 -4.6672 -4.6672 -2.9690 -2.9690 -2.8556 -2.8556 -2.7188 -2.7188 -2.4905 -2.4905 0.1595 0.1595 0.2676 0.2676 0.6853 0.6853 0.6959 0.6959 1.1101 1.1101 1.1237 1.1237 1.3527 1.3527 1.3610 1.3610 4.3615 4.3615 4.3714 4.3714 5.0954 5.0954 5.1714 5.1714 5.2538 5.2538 5.2730 5.2730 5.6426 5.6426 5.6525 5.6525 6.1929 6.1929 6.2269 6.2269 12.6177 12.6177 12.6194 12.6194 13.3265 13.3265 13.3588 13.3588 14.0043 14.0043 14.0394 14.0394 k = 0.3667 0.5196 0.4661 ( 4942 PWs) bands (ev): -18.0727 -18.0727 -18.0727 -18.0727 -15.1774 -15.1774 -15.1726 -15.1726 -11.9688 -11.9688 -11.9546 -11.9546 -11.7446 -11.7446 -11.7444 -11.7444 -4.7275 -4.7275 -4.6643 -4.6643 -2.9669 -2.9669 -2.8417 -2.8417 -2.7288 -2.7288 -2.4856 -2.4856 0.1637 0.1637 0.2753 0.2753 0.6760 0.6760 0.6873 0.6873 1.1093 1.1093 1.1232 1.1232 1.3548 1.3548 1.3640 1.3640 4.3568 4.3568 4.3676 4.3676 5.0973 5.0973 5.1786 5.1786 5.2473 5.2473 5.2648 5.2648 5.6417 5.6417 5.6514 5.6514 6.1789 6.1789 6.2146 6.2146 12.6355 12.6355 12.6370 12.6370 13.3114 13.3114 13.3440 13.3440 14.0134 14.0134 14.0489 14.0489 k = 0.3583 0.5340 0.4661 ( 4942 PWs) bands (ev): -18.0721 -18.0721 -18.0721 -18.0721 -15.1785 -15.1785 -15.1736 -15.1736 -11.9713 -11.9713 -11.9570 -11.9570 -11.7427 -11.7427 -11.7423 -11.7423 -4.7263 -4.7263 -4.6620 -4.6620 -2.9651 -2.9651 -2.8280 -2.8280 -2.7390 -2.7390 -2.4816 -2.4816 0.1674 0.1674 0.2816 0.2816 0.6685 0.6685 0.6804 0.6804 1.1086 1.1086 1.1228 1.1228 1.3563 1.3563 1.3662 1.3662 4.3527 4.3527 4.3642 4.3642 5.0993 5.0993 5.1862 5.1862 5.2416 5.2416 5.2561 5.2561 5.6409 5.6409 5.6504 5.6504 6.1678 6.1678 6.2048 6.2048 12.6507 12.6507 12.6520 12.6520 13.2987 13.2987 13.3315 13.3315 14.0207 14.0207 14.0564 14.0564 k = 0.3500 0.5485 0.4661 ( 4942 PWs) bands (ev): -18.0717 -18.0717 -18.0717 -18.0717 -15.1793 -15.1793 -15.1744 -15.1744 -11.9731 -11.9731 -11.9586 -11.9586 -11.7413 -11.7413 -11.7409 -11.7409 -4.7253 -4.7253 -4.6603 -4.6603 -2.9638 -2.9638 -2.8152 -2.8152 -2.7492 -2.7492 -2.4786 -2.4786 0.1703 0.1703 0.2864 0.2864 0.6630 0.6630 0.6754 0.6754 1.1081 1.1081 1.1224 1.1224 1.3571 1.3571 1.3676 1.3676 4.3494 4.3494 4.3615 4.3615 5.1009 5.1009 5.1937 5.1937 5.2369 5.2369 5.2476 5.2476 5.6403 5.6403 5.6496 5.6496 6.1599 6.1599 6.1977 6.1977 12.6625 12.6625 12.6636 12.6636 13.2889 13.2889 13.3220 13.3220 14.0260 14.0260 14.0618 14.0618 k = 0.3417 0.5629 0.4661 ( 4950 PWs) bands (ev): -18.0714 -18.0714 -18.0714 -18.0714 -15.1799 -15.1799 -15.1749 -15.1749 -11.9742 -11.9742 -11.9597 -11.9597 -11.7405 -11.7405 -11.7400 -11.7400 -4.7247 -4.7247 -4.6592 -4.6592 -2.9629 -2.9629 -2.8047 -2.8047 -2.7580 -2.7580 -2.4768 -2.4768 0.1722 0.1722 0.2894 0.2894 0.6595 0.6595 0.6723 0.6723 1.1078 1.1078 1.1222 1.1222 1.3575 1.3575 1.3683 1.3683 4.3472 4.3472 4.3597 4.3597 5.1021 5.1021 5.2000 5.2000 5.2339 5.2339 5.2406 5.2406 5.6399 5.6399 5.6492 5.6492 6.1551 6.1551 6.1935 6.1935 12.6700 12.6700 12.6711 12.6711 13.2828 13.2828 13.3160 13.3160 14.0292 14.0292 14.0652 14.0652 k = 0.3333 0.5774 0.4661 ( 4938 PWs) bands (ev): -18.0714 -18.0714 -18.0713 -18.0713 -15.1801 -15.1801 -15.1751 -15.1751 -11.9746 -11.9746 -11.9600 -11.9600 -11.7402 -11.7402 -11.7397 -11.7397 -4.7245 -4.7245 -4.6588 -4.6588 -2.9626 -2.9626 -2.8000 -2.8000 -2.7620 -2.7620 -2.4761 -2.4761 0.1729 0.1729 0.2905 0.2905 0.6584 0.6584 0.6712 0.6712 1.1077 1.1077 1.1222 1.1222 1.3576 1.3576 1.3686 1.3686 4.3464 4.3464 4.3590 4.3590 5.1024 5.1024 5.2027 5.2027 5.2329 5.2329 5.2376 5.2376 5.6398 5.6398 5.6490 5.6490 6.1536 6.1536 6.1921 6.1921 12.6727 12.6727 12.6736 12.6736 13.2807 13.2807 13.3140 13.3140 14.0303 14.0303 14.0663 14.0663 k = 0.3333 0.5774 0.4661 ( 4938 PWs) bands (ev): -18.0714 -18.0714 -18.0713 -18.0713 -15.1801 -15.1801 -15.1751 -15.1751 -11.9746 -11.9746 -11.9600 -11.9600 -11.7402 -11.7402 -11.7397 -11.7397 -4.7245 -4.7245 -4.6588 -4.6588 -2.9626 -2.9626 -2.8000 -2.8000 -2.7620 -2.7620 -2.4761 -2.4761 0.1729 0.1729 0.2905 0.2905 0.6584 0.6584 0.6712 0.6712 1.1077 1.1077 1.1222 1.1222 1.3576 1.3576 1.3686 1.3686 4.3464 4.3464 4.3590 4.3590 5.1024 5.1024 5.2027 5.2027 5.2329 5.2329 5.2376 5.2376 5.6398 5.6398 5.6490 5.6490 6.1536 6.1536 6.1921 6.1921 12.6727 12.6727 12.6736 12.6736 13.2807 13.2807 13.3140 13.3140 14.0303 14.0303 14.0663 14.0663 k = 0.3250 0.5629 0.4661 ( 4944 PWs) bands (ev): -18.0715 -18.0715 -18.0714 -18.0714 -15.1799 -15.1799 -15.1749 -15.1749 -11.9742 -11.9742 -11.9597 -11.9597 -11.7405 -11.7405 -11.7400 -11.7400 -4.7247 -4.7247 -4.6592 -4.6592 -2.9630 -2.9630 -2.8048 -2.8048 -2.7580 -2.7580 -2.4768 -2.4768 0.1721 0.1721 0.2894 0.2894 0.6596 0.6596 0.6723 0.6723 1.1078 1.1078 1.1222 1.1222 1.3576 1.3576 1.3684 1.3684 4.3473 4.3473 4.3598 4.3598 5.1021 5.1021 5.2000 5.2000 5.2340 5.2340 5.2406 5.2406 5.6400 5.6400 5.6492 5.6492 6.1551 6.1551 6.1935 6.1935 12.6700 12.6700 12.6710 12.6710 13.2828 13.2828 13.3160 13.3160 14.0292 14.0292 14.0652 14.0652 k = 0.3167 0.5485 0.4661 ( 4944 PWs) bands (ev): -18.0718 -18.0718 -18.0718 -18.0718 -15.1792 -15.1792 -15.1743 -15.1743 -11.9732 -11.9732 -11.9587 -11.9587 -11.7412 -11.7412 -11.7408 -11.7408 -4.7255 -4.7255 -4.6604 -4.6604 -2.9640 -2.9640 -2.8156 -2.8156 -2.7492 -2.7492 -2.4789 -2.4789 0.1698 0.1698 0.2859 0.2859 0.6632 0.6632 0.6756 0.6756 1.1082 1.1082 1.1225 1.1225 1.3575 1.3575 1.3679 1.3679 4.3503 4.3503 4.3623 4.3623 5.1012 5.1012 5.1939 5.1939 5.2371 5.2371 5.2480 5.2480 5.6404 5.6404 5.6498 5.6498 6.1596 6.1596 6.1975 6.1975 12.6618 12.6618 12.6629 12.6629 13.2889 13.2889 13.3220 13.3220 14.0261 14.0261 14.0619 14.0619 k = 0.3083 0.5340 0.4661 ( 4944 PWs) bands (ev): -18.0723 -18.0723 -18.0723 -18.0723 -15.1782 -15.1782 -15.1733 -15.1733 -11.9714 -11.9714 -11.9571 -11.9571 -11.7424 -11.7424 -11.7421 -11.7421 -4.7268 -4.7268 -4.6624 -4.6624 -2.9657 -2.9657 -2.8292 -2.8292 -2.7394 -2.7394 -2.4824 -2.4824 0.1656 0.1656 0.2798 0.2798 0.6693 0.6693 0.6810 0.6810 1.1088 1.1088 1.1230 1.1230 1.3577 1.3577 1.3674 1.3674 4.3557 4.3557 4.3668 4.3668 5.1000 5.1000 5.1869 5.1869 5.2421 5.2421 5.2574 5.2574 5.6412 5.6412 5.6509 5.6509 6.1668 6.1668 6.2041 6.2041 12.6484 12.6484 12.6497 12.6497 13.2985 13.2985 13.3314 13.3314 14.0210 14.0210 14.0567 14.0567 k = 0.3000 0.5196 0.4661 ( 4938 PWs) bands (ev): -18.0731 -18.0731 -18.0731 -18.0731 -15.1766 -15.1766 -15.1718 -15.1718 -11.9690 -11.9690 -11.9549 -11.9549 -11.7441 -11.7441 -11.7438 -11.7438 -4.7287 -4.7287 -4.6652 -4.6652 -2.9682 -2.9682 -2.8442 -2.8442 -2.7300 -2.7300 -2.4875 -2.4875 0.1595 0.1595 0.2711 0.2711 0.6778 0.6778 0.6887 0.6887 1.1098 1.1098 1.1238 1.1238 1.3581 1.3581 1.3669 1.3669 4.3637 4.3637 4.3736 4.3736 5.0989 5.0989 5.1802 5.1802 5.2488 5.2488 5.2676 5.2676 5.6424 5.6424 5.6525 5.6525 6.1766 6.1766 6.2131 6.2131 12.6302 12.6302 12.6317 12.6317 13.3108 13.3108 13.3434 13.3434 14.0141 14.0141 14.0495 14.0495 k = 0.2917 0.5052 0.4661 ( 4940 PWs) bands (ev): -18.0741 -18.0741 -18.0741 -18.0741 -15.1746 -15.1746 -15.1699 -15.1699 -11.9660 -11.9660 -11.9521 -11.9521 -11.7461 -11.7461 -11.7459 -11.7459 -4.7313 -4.7313 -4.6689 -4.6689 -2.9715 -2.9715 -2.8602 -2.8602 -2.7214 -2.7214 -2.4941 -2.4941 0.1513 0.1513 0.2597 0.2597 0.6889 0.6889 0.6987 0.6987 1.1111 1.1111 1.1249 1.1249 1.3590 1.3590 1.3665 1.3665 4.3747 4.3747 4.3829 4.3829 5.0983 5.0983 5.1745 5.1745 5.2568 5.2568 5.2784 5.2784 5.6441 5.6441 5.6547 5.6547 6.1887 6.1887 6.2242 6.2242 12.6078 12.6078 12.6094 12.6094 13.3248 13.3248 13.3572 13.3572 14.0055 14.0055 14.0407 14.0407 k = 0.2833 0.4907 0.4661 ( 4956 PWs) bands (ev): -18.0753 -18.0753 -18.0753 -18.0753 -15.1721 -15.1721 -15.1675 -15.1675 -11.9624 -11.9624 -11.9487 -11.9487 -11.7485 -11.7485 -11.7483 -11.7483 -4.7345 -4.7345 -4.6734 -4.6734 -2.9758 -2.9758 -2.8770 -2.8770 -2.7140 -2.7140 -2.5023 -2.5023 0.1408 0.1409 0.2454 0.2454 0.7024 0.7024 0.7110 0.7110 1.1128 1.1128 1.1263 1.1263 1.3605 1.3605 1.3665 1.3665 4.3889 4.3889 4.3951 4.3951 5.0984 5.0984 5.1699 5.1699 5.2658 5.2658 5.2894 5.2894 5.6463 5.6463 5.6576 5.6576 6.2028 6.2028 6.2373 6.2373 12.5819 12.5819 12.5836 12.5836 13.3396 13.3396 13.3718 13.3718 13.9956 13.9956 14.0303 14.0303 k = 0.2750 0.4763 0.4661 ( 4948 PWs) bands (ev): -18.0769 -18.0769 -18.0769 -18.0769 -15.1690 -15.1690 -15.1646 -15.1646 -11.9582 -11.9582 -11.9449 -11.9449 -11.7511 -11.7511 -11.7511 -11.7511 -4.7384 -4.7384 -4.6788 -4.6788 -2.9809 -2.9809 -2.8944 -2.8944 -2.7081 -2.7081 -2.5121 -2.5121 0.1281 0.1281 0.2283 0.2283 0.7184 0.7184 0.7254 0.7254 1.1148 1.1148 1.1282 1.1282 1.3626 1.3626 1.3669 1.3669 4.4064 4.4064 4.4102 4.4102 5.0995 5.0995 5.1667 5.1667 5.2758 5.2758 5.3007 5.3007 5.6490 5.6490 5.6613 5.6613 6.2187 6.2187 6.2522 6.2522 12.5531 12.5531 12.5549 12.5549 13.3542 13.3542 13.3860 13.3860 13.9844 13.9844 14.0187 14.0187 k = 0.2667 0.4619 0.4661 ( 4960 PWs) bands (ev): -18.0787 -18.0786 -18.0786 -18.0786 -15.1654 -15.1654 -15.1611 -15.1611 -11.9536 -11.9536 -11.9406 -11.9406 -11.7542 -11.7542 -11.7541 -11.7541 -4.7430 -4.7430 -4.6851 -4.6851 -2.9869 -2.9869 -2.9123 -2.9123 -2.7038 -2.7038 -2.5236 -2.5236 0.1131 0.1131 0.2085 0.2085 0.7366 0.7366 0.7421 0.7421 1.1174 1.1174 1.1305 1.1305 1.3655 1.3655 1.3678 1.3678 4.4273 4.4273 4.4285 4.4285 5.1016 5.1016 5.1649 5.1649 5.2865 5.2865 5.3121 5.3121 5.6524 5.6524 5.6657 5.6657 6.2361 6.2361 6.2686 6.2686 12.5220 12.5220 12.5238 12.5238 13.3675 13.3675 13.3990 13.3990 13.9723 13.9723 14.0059 14.0059 k = 0.2583 0.4474 0.4661 ( 4956 PWs) bands (ev): -18.0807 -18.0807 -18.0807 -18.0807 -15.1612 -15.1612 -15.1572 -15.1572 -11.9484 -11.9484 -11.9359 -11.9359 -11.7574 -11.7574 -11.7572 -11.7572 -4.7483 -4.7483 -4.6922 -4.6922 -2.9938 -2.9938 -2.9307 -2.9307 -2.7011 -2.7011 -2.5366 -2.5366 0.0957 0.0957 0.1860 0.1860 0.7570 0.7570 0.7608 0.7608 1.1204 1.1204 1.1333 1.1333 1.3693 1.3693 1.3694 1.3694 4.4500 4.4500 4.4517 4.4517 5.1048 5.1048 5.1646 5.1646 5.2978 5.2978 5.3237 5.3237 5.6565 5.6565 5.6709 5.6709 6.2548 6.2548 6.2863 6.2863 12.4891 12.4891 12.4909 12.4909 13.3788 13.3788 13.4098 13.4098 13.9592 13.9592 13.9920 13.9920 k = 0.2500 0.4330 0.4661 ( 4972 PWs) bands (ev): -18.0830 -18.0830 -18.0830 -18.0830 -15.1566 -15.1566 -15.1527 -15.1527 -11.9429 -11.9429 -11.9308 -11.9308 -11.7609 -11.7609 -11.7606 -11.7606 -4.7542 -4.7542 -4.7001 -4.7001 -3.0016 -3.0016 -2.9494 -2.9494 -2.7003 -2.7003 -2.5511 -2.5511 0.0761 0.0761 0.1609 0.1609 0.7795 0.7795 0.7815 0.7815 1.1240 1.1240 1.1368 1.1368 1.3717 1.3717 1.3739 1.3739 4.4747 4.4747 4.4795 4.4795 5.1092 5.1092 5.1657 5.1657 5.3098 5.3098 5.3355 5.3355 5.6612 5.6612 5.6770 5.6770 6.2745 6.2745 6.3050 6.3050 12.4549 12.4549 12.4567 12.4567 13.3873 13.3873 13.4177 13.4177 13.9451 13.9451 13.9769 13.9769 k = 0.2417 0.4186 0.4661 ( 4968 PWs) bands (ev): -18.0855 -18.0855 -18.0855 -18.0855 -15.1514 -15.1514 -15.1477 -15.1477 -11.9369 -11.9369 -11.9253 -11.9253 -11.7645 -11.7645 -11.7641 -11.7640 -4.7607 -4.7607 -4.7088 -4.7088 -3.0104 -3.0104 -2.9684 -2.9684 -2.7013 -2.7013 -2.5670 -2.5670 0.0542 0.0542 0.1335 0.1335 0.8037 0.8037 0.8040 0.8040 1.1281 1.1281 1.1409 1.1409 1.3747 1.3747 1.3794 1.3794 4.5026 4.5026 4.5107 4.5107 5.1147 5.1147 5.1681 5.1681 5.3225 5.3225 5.3477 5.3477 5.6668 5.6668 5.6841 5.6841 6.2951 6.2951 6.3246 6.3246 12.4199 12.4199 12.4215 12.4215 13.3925 13.3925 13.4221 13.4221 13.9300 13.9300 13.9606 13.9606 k = 0.2333 0.4041 0.4661 ( 4968 PWs) bands (ev): -18.0883 -18.0883 -18.0883 -18.0883 -15.1457 -15.1457 -15.1422 -15.1422 -11.9307 -11.9307 -11.9196 -11.9196 -11.7681 -11.7681 -11.7676 -11.7676 -4.7678 -4.7678 -4.7182 -4.7182 -3.0200 -3.0200 -2.9875 -2.9875 -2.7041 -2.7041 -2.5844 -2.5844 0.0303 0.0303 0.1039 0.1039 0.8281 0.8281 0.8296 0.8296 1.1330 1.1330 1.1458 1.1458 1.3787 1.3787 1.3859 1.3859 4.5337 4.5337 4.5450 4.5450 5.1214 5.1214 5.1718 5.1718 5.3358 5.3358 5.3602 5.3602 5.6732 5.6732 5.6920 5.6920 6.3162 6.3162 6.3448 6.3448 12.3844 12.3844 12.3858 12.3858 13.3939 13.3939 13.4227 13.4227 13.9133 13.9133 13.9426 13.9426 k = 0.2250 0.3897 0.4661 ( 4964 PWs) bands (ev): -18.0913 -18.0913 -18.0913 -18.0913 -15.1395 -15.1395 -15.1363 -15.1363 -11.9242 -11.9242 -11.9137 -11.9137 -11.7718 -11.7718 -11.7712 -11.7712 -4.7755 -4.7755 -4.7283 -4.7283 -3.0304 -3.0304 -3.0067 -3.0067 -2.7089 -2.7089 -2.6030 -2.6030 0.0046 0.0046 0.0724 0.0724 0.8535 0.8535 0.8566 0.8566 1.1387 1.1387 1.1516 1.1516 1.3835 1.3835 1.3932 1.3932 4.5676 4.5676 4.5822 4.5822 5.1290 5.1290 5.1766 5.1766 5.3499 5.3499 5.3734 5.3734 5.6804 5.6804 5.7010 5.7010 6.3376 6.3376 6.3654 6.3654 12.3487 12.3487 12.3499 12.3499 13.3915 13.3915 13.4192 13.4192 13.8946 13.8946 13.9225 13.9225 k = 0.2167 0.3753 0.4661 ( 4966 PWs) bands (ev): -18.0946 -18.0946 -18.0945 -18.0945 -15.1329 -15.1329 -15.1299 -15.1299 -11.9175 -11.9175 -11.9075 -11.9075 -11.7755 -11.7755 -11.7748 -11.7748 -4.7837 -4.7837 -4.7390 -4.7390 -3.0416 -3.0416 -3.0258 -3.0258 -2.7155 -2.7155 -2.6228 -2.6228 -0.0229 -0.0229 0.0393 0.0393 0.8801 0.8801 0.8846 0.8846 1.1452 1.1452 1.1585 1.1585 1.3892 1.3892 1.4014 1.4014 4.6043 4.6043 4.6220 4.6220 5.1376 5.1376 5.1825 5.1825 5.3649 5.3649 5.3872 5.3872 5.6884 5.6884 5.7109 5.7109 6.3592 6.3592 6.3862 6.3862 12.3132 12.3132 12.3142 12.3142 13.3852 13.3852 13.4117 13.4117 13.8732 13.8732 13.8996 13.8996 k = 0.2083 0.3608 0.4661 ( 4962 PWs) bands (ev): -18.0980 -18.0980 -18.0980 -18.0980 -15.1259 -15.1259 -15.1230 -15.1230 -11.9106 -11.9106 -11.9013 -11.9013 -11.7792 -11.7792 -11.7784 -11.7784 -4.7924 -4.7924 -4.7503 -4.7503 -3.0535 -3.0535 -3.0447 -3.0447 -2.7239 -2.7239 -2.6437 -2.6437 -0.0518 -0.0518 0.0047 0.0047 0.9072 0.9072 0.9129 0.9129 1.1529 1.1529 1.1667 1.1667 1.3958 1.3958 1.4104 1.4104 4.6433 4.6433 4.6639 4.6639 5.1469 5.1469 5.1891 5.1891 5.3810 5.3810 5.4019 5.4019 5.6974 5.6974 5.7218 5.7218 6.3807 6.3807 6.4070 6.4070 12.2780 12.2780 12.2788 12.2788 13.3751 13.3751 13.4005 13.4005 13.8483 13.8483 13.8733 13.8733 k = 0.2000 0.3464 0.4661 ( 4970 PWs) bands (ev): -18.1015 -18.1015 -18.1015 -18.1015 -15.1184 -15.1184 -15.1158 -15.1158 -11.9037 -11.9037 -11.8949 -11.8949 -11.7827 -11.7827 -11.7819 -11.7819 -4.8015 -4.8015 -4.7621 -4.7621 -3.0660 -3.0660 -3.0635 -3.0635 -2.7341 -2.7341 -2.6655 -2.6655 -0.0819 -0.0819 -0.0309 -0.0309 0.9346 0.9346 0.9411 0.9411 1.1619 1.1619 1.1764 1.1764 1.4034 1.4034 1.4202 1.4202 4.6844 4.6844 4.7076 4.7076 5.1569 5.1569 5.1964 5.1964 5.3983 5.3983 5.4176 5.4176 5.7072 5.7072 5.7336 5.7336 6.4020 6.4020 6.4276 6.4276 12.2435 12.2435 12.2441 12.2441 13.3616 13.3616 13.3858 13.3858 13.8195 13.8195 13.8432 13.8432 k = 0.1917 0.3320 0.4661 ( 4960 PWs) bands (ev): -18.1053 -18.1053 -18.1053 -18.1053 -15.1107 -15.1107 -15.1083 -15.1083 -11.8967 -11.8967 -11.8886 -11.8886 -11.7862 -11.7862 -11.7854 -11.7854 -4.8110 -4.8110 -4.7744 -4.7744 -3.0818 -3.0818 -3.0790 -3.0790 -2.7460 -2.7460 -2.6881 -2.6881 -0.1130 -0.1130 -0.0672 -0.0672 0.9617 0.9617 0.9687 0.9687 1.1725 1.1725 1.1880 1.1880 1.4118 1.4118 1.4307 1.4307 4.7270 4.7270 4.7525 4.7525 5.1675 5.1675 5.2043 5.2043 5.4171 5.4171 5.4346 5.4346 5.7178 5.7178 5.7464 5.7464 6.4230 6.4230 6.4479 6.4479 12.2100 12.2100 12.2103 12.2103 13.3450 13.3450 13.3681 13.3681 13.7863 13.7863 13.8088 13.8088 k = 0.1833 0.3175 0.4661 ( 4960 PWs) bands (ev): -18.1091 -18.1091 -18.1091 -18.1091 -15.1026 -15.1026 -15.1005 -15.1005 -11.8897 -11.8897 -11.8823 -11.8823 -11.7895 -11.7895 -11.7886 -11.7886 -4.8207 -4.8207 -4.7869 -4.7869 -3.0997 -3.0997 -3.0925 -3.0925 -2.7595 -2.7595 -2.7115 -2.7115 -0.1449 -0.1449 -0.1041 -0.1041 0.9878 0.9878 0.9948 0.9948 1.1851 1.1851 1.2018 1.2018 1.4211 1.4211 1.4418 1.4418 4.7707 4.7707 4.7980 4.7980 5.1784 5.1784 5.2125 5.2125 5.4376 5.4376 5.4530 5.4530 5.7294 5.7294 5.7600 5.7600 6.4434 6.4434 6.4677 6.4677 12.1775 12.1775 12.1776 12.1776 13.3257 13.3257 13.3478 13.3478 13.7486 13.7486 13.7702 13.7702 k = 0.1750 0.3031 0.4661 ( 4964 PWs) bands (ev): -18.1131 -18.1131 -18.1131 -18.1131 -15.0944 -15.0944 -15.0924 -15.0924 -11.8828 -11.8828 -11.8760 -11.8760 -11.7926 -11.7926 -11.7918 -11.7918 -4.8307 -4.8307 -4.7998 -4.7998 -3.1171 -3.1171 -3.1062 -3.1062 -2.7745 -2.7745 -2.7353 -2.7353 -0.1771 -0.1771 -0.1411 -0.1411 1.0124 1.0124 1.0190 1.0190 1.2000 1.2000 1.2181 1.2181 1.4311 1.4311 1.4534 1.4534 4.8151 4.8151 4.8436 4.8436 5.1896 5.1896 5.2210 5.2210 5.4600 5.4600 5.4731 5.4731 5.7417 5.7417 5.7745 5.7745 6.4632 6.4632 6.4867 6.4867 12.1462 12.1462 12.1463 12.1463 13.3042 13.3042 13.3255 13.3255 13.7067 13.7067 13.7275 13.7275 k = 0.1667 0.2887 0.4661 ( 4962 PWs) bands (ev): -18.1171 -18.1171 -18.1171 -18.1171 -15.0859 -15.0859 -15.0842 -15.0842 -11.8760 -11.8760 -11.8699 -11.8699 -11.7955 -11.7955 -11.7947 -11.7947 -4.8409 -4.8409 -4.8128 -4.8128 -3.1337 -3.1337 -3.1202 -3.1201 -2.7908 -2.7908 -2.7596 -2.7596 -0.2096 -0.2096 -0.1781 -0.1781 1.0348 1.0348 1.0407 1.0407 1.2175 1.2175 1.2372 1.2372 1.4419 1.4419 1.4656 1.4656 4.8595 4.8595 4.8886 4.8886 5.2010 5.2010 5.2296 5.2296 5.4846 5.4846 5.4949 5.4949 5.7549 5.7549 5.7898 5.7898 6.4822 6.4822 6.5050 6.5050 12.1163 12.1163 12.1166 12.1166 13.2808 13.2808 13.3013 13.3013 13.6611 13.6611 13.6812 13.6812 k = 0.1583 0.2742 0.4661 ( 4966 PWs) bands (ev): -18.1212 -18.1212 -18.1212 -18.1212 -15.0773 -15.0773 -15.0758 -15.0758 -11.8694 -11.8694 -11.8639 -11.8639 -11.7982 -11.7982 -11.7974 -11.7974 -4.8512 -4.8512 -4.8259 -4.8259 -3.1497 -3.1497 -3.1341 -3.1341 -2.8084 -2.8084 -2.7841 -2.7841 -0.2420 -0.2420 -0.2146 -0.2146 1.0547 1.0547 1.0597 1.0597 1.2377 1.2377 1.2589 1.2589 1.4534 1.4534 1.4781 1.4781 4.9034 4.9034 4.9324 4.9324 5.2123 5.2123 5.2382 5.2382 5.5115 5.5115 5.5186 5.5186 5.7689 5.7689 5.8058 5.8058 6.5004 6.5004 6.5224 6.5224 12.0881 12.0881 12.0885 12.0885 13.2560 13.2560 13.2759 13.2759 13.6123 13.6123 13.6319 13.6319 k = 0.1500 0.2598 0.4661 ( 4962 PWs) bands (ev): -18.1253 -18.1253 -18.1253 -18.1253 -15.0687 -15.0687 -15.0673 -15.0673 -11.8630 -11.8630 -11.8581 -11.8581 -11.8006 -11.8006 -11.7999 -11.7999 -4.8615 -4.8615 -4.8389 -4.8389 -3.1648 -3.1648 -3.1479 -3.1479 -2.8270 -2.8270 -2.8088 -2.8088 -0.2741 -0.2741 -0.2506 -0.2506 1.0719 1.0719 1.0761 1.0761 1.2604 1.2604 1.2829 1.2829 1.4655 1.4655 1.4909 1.4909 4.9462 4.9462 4.9745 4.9745 5.2236 5.2236 5.2467 5.2467 5.5408 5.5408 5.5443 5.5443 5.7837 5.7837 5.8225 5.8225 6.5177 6.5177 6.5388 6.5388 12.0617 12.0617 12.0623 12.0623 13.2301 13.2301 13.2495 13.2495 13.5610 13.5610 13.5803 13.5803 k = 0.1417 0.2454 0.4661 ( 4960 PWs) bands (ev): -18.1293 -18.1293 -18.1293 -18.1293 -15.0600 -15.0600 -15.0589 -15.0589 -11.8569 -11.8569 -11.8526 -11.8526 -11.8028 -11.8028 -11.8021 -11.8021 -4.8718 -4.8718 -4.8519 -4.8519 -3.1790 -3.1790 -3.1615 -3.1615 -2.8466 -2.8466 -2.8335 -2.8335 -0.3056 -0.3056 -0.2857 -0.2857 1.0868 1.0868 1.0901 1.0901 1.2851 1.2851 1.3084 1.3084 1.4782 1.4782 1.5038 1.5038 4.9874 4.9874 5.0144 5.0144 5.2346 5.2346 5.2551 5.2551 5.5719 5.5719 5.5725 5.5725 5.7993 5.7993 5.8399 5.8399 6.5339 6.5339 6.5540 6.5540 12.0371 12.0371 12.0378 12.0378 13.2035 13.2035 13.2224 13.2224 13.5081 13.5081 13.5270 13.5270 k = 0.1333 0.2309 0.4661 ( 4960 PWs) bands (ev): -18.1334 -18.1334 -18.1334 -18.1334 -15.0515 -15.0515 -15.0504 -15.0504 -11.8510 -11.8510 -11.8473 -11.8473 -11.8047 -11.8047 -11.8041 -11.8041 -4.8820 -4.8820 -4.8647 -4.8647 -3.1922 -3.1922 -3.1747 -3.1747 -2.8669 -2.8669 -2.8581 -2.8581 -0.3364 -0.3364 -0.3197 -0.3197 1.0994 1.0994 1.1020 1.1020 1.3113 1.3113 1.3349 1.3349 1.4913 1.4913 1.5169 1.5169 5.0266 5.0266 5.0516 5.0516 5.2454 5.2454 5.2634 5.2634 5.6013 5.6013 5.6063 5.6063 5.8156 5.8156 5.8577 5.8577 6.5491 6.5491 6.5681 6.5681 12.0146 12.0146 12.0154 12.0154 13.1765 13.1765 13.1950 13.1950 13.4542 13.4542 13.4728 13.4728 k = 0.1250 0.2165 0.4661 ( 4958 PWs) bands (ev): -18.1373 -18.1373 -18.1373 -18.1373 -15.0430 -15.0430 -15.0421 -15.0421 -11.8455 -11.8455 -11.8423 -11.8423 -11.8063 -11.8063 -11.8058 -11.8058 -4.8920 -4.8920 -4.8771 -4.8771 -3.2044 -3.2044 -3.1874 -3.1874 -2.8877 -2.8877 -2.8824 -2.8824 -0.3663 -0.3663 -0.3524 -0.3524 1.1104 1.1104 1.1124 1.1124 1.3382 1.3382 1.3617 1.3617 1.5050 1.5050 1.5300 1.5300 5.0634 5.0634 5.0859 5.0859 5.2559 5.2559 5.2714 5.2714 5.6324 5.6324 5.6417 5.6417 5.8327 5.8327 5.8760 5.8760 6.5632 6.5632 6.5809 6.5809 11.9942 11.9942 11.9951 11.9951 13.1493 13.1493 13.1674 13.1674 13.4001 13.4001 13.4183 13.4183 k = 0.1167 0.2021 0.4661 ( 4962 PWs) bands (ev): -18.1412 -18.1412 -18.1412 -18.1412 -15.0347 -15.0347 -15.0340 -15.0340 -11.8403 -11.8403 -11.8377 -11.8377 -11.8077 -11.8077 -11.8073 -11.8073 -4.9018 -4.9018 -4.8892 -4.8892 -3.2154 -3.2154 -3.1994 -3.1994 -2.9089 -2.9089 -2.9063 -2.9063 -0.3950 -0.3950 -0.3837 -0.3837 1.1199 1.1199 1.1215 1.1215 1.3652 1.3652 1.3880 1.3880 1.5190 1.5190 1.5430 1.5430 5.0975 5.0975 5.1172 5.1172 5.2661 5.2661 5.2792 5.2792 5.6647 5.6647 5.6783 5.6783 5.8507 5.8507 5.8947 5.8947 6.5762 6.5762 6.5925 6.5925 11.9759 11.9759 11.9768 11.9768 13.1222 13.1222 13.1399 13.1399 13.3464 13.3464 13.3643 13.3643 k = 0.1083 0.1876 0.4661 ( 4962 PWs) bands (ev): -18.1449 -18.1449 -18.1449 -18.1449 -15.0267 -15.0267 -15.0261 -15.0261 -11.8355 -11.8355 -11.8335 -11.8335 -11.8088 -11.8088 -11.8085 -11.8085 -4.9113 -4.9113 -4.9008 -4.9008 -3.2253 -3.2253 -3.2106 -3.2106 -2.9304 -2.9304 -2.9298 -2.9298 -0.4225 -0.4225 -0.4133 -0.4133 1.1282 1.1282 1.1294 1.1294 1.3918 1.3918 1.4134 1.4134 1.5333 1.5333 1.5558 1.5558 5.1288 5.1288 5.1455 5.1455 5.2759 5.2759 5.2868 5.2868 5.6978 5.6978 5.7152 5.7152 5.8696 5.8696 5.9136 5.9136 6.5880 6.5880 6.6029 6.6029 11.9598 11.9598 11.9606 11.9606 13.0956 13.0956 13.1128 13.1128 13.2937 13.2937 13.3112 13.3112 k = 0.1000 0.1732 0.4661 ( 4966 PWs) bands (ev): -18.1485 -18.1485 -18.1485 -18.1485 -15.0190 -15.0190 -15.0186 -15.0186 -11.8311 -11.8311 -11.8296 -11.8296 -11.8096 -11.8096 -11.8095 -11.8095 -4.9204 -4.9204 -4.9119 -4.9119 -3.2341 -3.2341 -3.2209 -3.2209 -2.9526 -2.9526 -2.9517 -2.9517 -0.4484 -0.4484 -0.4412 -0.4412 1.1356 1.1356 1.1365 1.1365 1.4176 1.4176 1.4373 1.4373 1.5479 1.5479 1.5685 1.5685 5.1570 5.1570 5.1708 5.1708 5.2853 5.2853 5.2943 5.2943 5.7312 5.7312 5.7514 5.7514 5.8897 5.8897 5.9328 5.9328 6.5988 6.5988 6.6120 6.6120 11.9457 11.9457 11.9465 11.9465 13.0695 13.0695 13.0861 13.0861 13.2427 13.2427 13.2596 13.2596 k = 0.0917 0.1588 0.4661 ( 4958 PWs) bands (ev): -18.1518 -18.1518 -18.1518 -18.1518 -15.0117 -15.0117 -15.0113 -15.0113 -11.8271 -11.8271 -11.8260 -11.8260 -11.8102 -11.8102 -11.8101 -11.8101 -4.9291 -4.9291 -4.9223 -4.9223 -3.2417 -3.2417 -3.2301 -3.2301 -2.9747 -2.9747 -2.9729 -2.9729 -0.4728 -0.4728 -0.4672 -0.4672 1.1421 1.1421 1.1429 1.1429 1.4420 1.4420 1.4595 1.4595 1.5627 1.5627 1.5808 1.5808 5.1822 5.1822 5.1933 5.1933 5.2944 5.2944 5.3015 5.3015 5.7641 5.7641 5.7859 5.7859 5.9111 5.9111 5.9520 5.9520 6.6084 6.6084 6.6199 6.6199 11.9337 11.9337 11.9344 11.9344 13.0442 13.0442 13.0602 13.0602 13.1939 13.1939 13.2101 13.2101 k = 0.0833 0.1443 0.4661 ( 4950 PWs) bands (ev): -18.1550 -18.1550 -18.1550 -18.1550 -15.0048 -15.0048 -15.0045 -15.0045 -11.8236 -11.8236 -11.8229 -11.8229 -11.8107 -11.8107 -11.8105 -11.8105 -4.9373 -4.9373 -4.9321 -4.9321 -3.2480 -3.2480 -3.2383 -3.2383 -2.9959 -2.9959 -2.9936 -2.9936 -0.4955 -0.4955 -0.4912 -0.4912 1.1480 1.1480 1.1485 1.1485 1.4648 1.4648 1.4797 1.4797 1.5775 1.5775 1.5929 1.5929 5.2045 5.2045 5.2130 5.2130 5.3031 5.3031 5.3085 5.3085 5.7960 5.7960 5.8177 5.8177 5.9339 5.9339 5.9712 5.9712 6.6170 6.6170 6.6267 6.6267 11.9237 11.9237 11.9243 11.9243 13.0200 13.0200 13.0351 13.0351 13.1479 13.1479 13.1632 13.1632 k = 0.0750 0.1299 0.4661 ( 4954 PWs) bands (ev): -18.1580 -18.1580 -18.1580 -18.1580 -14.9984 -14.9984 -14.9982 -14.9982 -11.8205 -11.8205 -11.8201 -11.8201 -11.8110 -11.8110 -11.8106 -11.8106 -4.9449 -4.9449 -4.9410 -4.9410 -3.2532 -3.2532 -3.2453 -3.2453 -3.0160 -3.0160 -3.0136 -3.0136 -0.5163 -0.5163 -0.5132 -0.5132 1.1532 1.1532 1.1536 1.1536 1.4856 1.4856 1.4977 1.4977 1.5920 1.5920 1.6044 1.6044 5.2238 5.2238 5.2301 5.2301 5.3113 5.3113 5.3153 5.3153 5.8261 5.8261 5.8460 5.8460 5.9581 5.9581 5.9903 5.9903 6.6244 6.6244 6.6324 6.6324 11.9155 11.9155 11.9160 11.9160 12.9970 12.9970 13.0110 13.0110 13.1052 13.1052 13.1193 13.1193 k = 0.0667 0.1155 0.4661 ( 4966 PWs) bands (ev): -18.1607 -18.1607 -18.1607 -18.1607 -14.9925 -14.9925 -14.9924 -14.9924 -11.8178 -11.8178 -11.8178 -11.8178 -11.8111 -11.8111 -11.8106 -11.8106 -4.9520 -4.9520 -4.9492 -4.9492 -3.2573 -3.2573 -3.2510 -3.2510 -3.0349 -3.0349 -3.0327 -3.0327 -0.5352 -0.5352 -0.5330 -0.5330 1.1578 1.1578 1.1581 1.1581 1.5043 1.5043 1.5136 1.5136 1.6060 1.6060 1.6155 1.6155 5.2404 5.2404 5.2448 5.2448 5.3191 5.3191 5.3219 5.3219 5.8538 5.8538 5.8706 5.8706 5.9830 5.9830 6.0090 6.0090 6.6309 6.6309 6.6372 6.6372 11.9090 11.9090 11.9094 11.9094 12.9755 12.9755 12.9879 12.9879 13.0664 13.0664 13.0789 13.0789 k = 0.0583 0.1010 0.4661 ( 4962 PWs) bands (ev): -18.1631 -18.1631 -18.1631 -18.1631 -14.9872 -14.9872 -14.9871 -14.9871 -11.8158 -11.8158 -11.8155 -11.8155 -11.8110 -11.8110 -11.8104 -11.8104 -4.9584 -4.9584 -4.9565 -4.9565 -3.2603 -3.2603 -3.2556 -3.2556 -3.0525 -3.0525 -3.0506 -3.0506 -0.5520 -0.5520 -0.5506 -0.5506 1.1618 1.1618 1.1620 1.1620 1.5208 1.5208 1.5274 1.5274 1.6191 1.6191 1.6260 1.6260 5.2543 5.2543 5.2572 5.2572 5.3263 5.3263 5.3282 5.3282 5.8787 5.8787 5.8916 5.8916 6.0077 6.0077 6.0272 6.0272 6.6364 6.6364 6.6411 6.6411 11.9040 11.9040 11.9043 11.9043 12.9555 12.9555 12.9660 12.9660 13.0319 13.0319 13.0425 13.0425 k = 0.0500 0.0866 0.4661 ( 4970 PWs) bands (ev): -18.1652 -18.1652 -18.1652 -18.1652 -14.9826 -14.9826 -14.9825 -14.9825 -11.8141 -11.8141 -11.8137 -11.8137 -11.8108 -11.8108 -11.8101 -11.8101 -4.9641 -4.9641 -4.9628 -4.9628 -3.2623 -3.2623 -3.2591 -3.2591 -3.0686 -3.0686 -3.0671 -3.0671 -0.5668 -0.5668 -0.5659 -0.5659 1.1653 1.1653 1.1654 1.1654 1.5348 1.5348 1.5392 1.5392 1.6311 1.6311 1.6356 1.6356 5.2657 5.2657 5.2675 5.2675 5.3330 5.3330 5.3341 5.3341 5.9004 5.9004 5.9094 5.9094 6.0311 6.0311 6.0445 6.0445 6.6410 6.6410 6.6442 6.6442 11.9003 11.9003 11.9005 11.9005 12.9372 12.9372 12.9454 12.9454 13.0023 13.0023 13.0105 13.0105 k = 0.0417 0.0722 0.4661 ( 4970 PWs) bands (ev): -18.1671 -18.1671 -18.1671 -18.1671 -14.9785 -14.9785 -14.9785 -14.9785 -11.8128 -11.8128 -11.8123 -11.8123 -11.8104 -11.8104 -11.8098 -11.8097 -4.9690 -4.9690 -4.9682 -4.9682 -3.2635 -3.2635 -3.2615 -3.2615 -3.0829 -3.0829 -3.0819 -3.0819 -0.5794 -0.5794 -0.5789 -0.5789 1.1682 1.1682 1.1683 1.1683 1.5465 1.5465 1.5492 1.5492 1.6417 1.6417 1.6444 1.6444 5.2749 5.2749 5.2759 5.2759 5.3388 5.3388 5.3394 5.3394 5.9187 5.9187 5.9242 5.9242 6.0522 6.0522 6.0605 6.0605 6.6447 6.6447 6.6467 6.6467 11.8976 11.8976 11.8978 11.8978 12.9207 12.9207 12.9264 12.9264 12.9777 12.9777 12.9834 12.9834 k = 0.0333 0.0577 0.4661 ( 4970 PWs) bands (ev): -18.1686 -18.1686 -18.1686 -18.1686 -14.9752 -14.9752 -14.9752 -14.9752 -11.8118 -11.8118 -11.8114 -11.8114 -11.8098 -11.8098 -11.8094 -11.8094 -4.9731 -4.9731 -4.9727 -4.9727 -3.2641 -3.2641 -3.2630 -3.2630 -3.0952 -3.0952 -3.0946 -3.0946 -0.5898 -0.5898 -0.5896 -0.5896 1.1706 1.1706 1.1707 1.1707 1.5559 1.5559 1.5573 1.5573 1.6505 1.6505 1.6519 1.6519 5.2821 5.2821 5.2826 5.2826 5.3438 5.3438 5.3441 5.3441 5.9334 5.9334 5.9364 5.9364 6.0702 6.0702 6.0746 6.0746 6.6476 6.6476 6.6487 6.6487 11.8959 11.8959 11.8959 11.8959 12.9062 12.9062 12.9095 12.9095 12.9582 12.9582 12.9616 12.9616 k = 0.0250 0.0433 0.4661 ( 4954 PWs) bands (ev): -18.1698 -18.1698 -18.1698 -18.1698 -14.9726 -14.9726 -14.9726 -14.9726 -11.8110 -11.8110 -11.8108 -11.8108 -11.8092 -11.8092 -11.8090 -11.8090 -4.9763 -4.9763 -4.9761 -4.9761 -3.2642 -3.2642 -3.2637 -3.2637 -3.1052 -3.1052 -3.1049 -3.1049 -0.5980 -0.5980 -0.5979 -0.5979 1.1725 1.1725 1.1725 1.1725 1.5630 1.5630 1.5636 1.5636 1.6575 1.6575 1.6581 1.6581 5.2874 5.2874 5.2876 5.2876 5.3479 5.3479 5.3480 5.3480 5.9446 5.9446 5.9459 5.9459 6.0845 6.0845 6.0865 6.0865 6.6498 6.6498 6.6503 6.6503 11.8947 11.8947 11.8948 11.8948 12.8940 12.8940 12.8955 12.8955 12.9435 12.9435 12.9450 12.9450 k = 0.0167 0.0289 0.4661 ( 4954 PWs) bands (ev): -18.1706 -18.1706 -18.1706 -18.1706 -14.9707 -14.9707 -14.9707 -14.9707 -11.8105 -11.8105 -11.8105 -11.8105 -11.8088 -11.8088 -11.8087 -11.8087 -4.9787 -4.9787 -4.9786 -4.9786 -3.2641 -3.2641 -3.2639 -3.2639 -3.1127 -3.1127 -3.1126 -3.1126 -0.6038 -0.6038 -0.6038 -0.6038 1.1738 1.1738 1.1738 1.1738 1.5679 1.5679 1.5681 1.5681 1.6626 1.6626 1.6628 1.6628 5.2910 5.2910 5.2911 5.2911 5.3508 5.3508 5.3508 5.3508 5.9525 5.9525 5.9528 5.9528 6.0948 6.0948 6.0954 6.0954 6.6512 6.6512 6.6514 6.6514 11.8941 11.8941 11.8941 11.8941 12.8845 12.8845 12.8850 12.8850 12.9331 12.9331 12.9336 12.9336 k = 0.0083 0.0144 0.4661 ( 4954 PWs) bands (ev): -18.1712 -18.1712 -18.1712 -18.1712 -14.9696 -14.9696 -14.9696 -14.9696 -11.8102 -11.8102 -11.8102 -11.8102 -11.8085 -11.8085 -11.8085 -11.8085 -4.9801 -4.9801 -4.9801 -4.9801 -3.2640 -3.2640 -3.2639 -3.2639 -3.1173 -3.1173 -3.1173 -3.1173 -0.6073 -0.6073 -0.6073 -0.6073 1.1746 1.1746 1.1746 1.1746 1.5708 1.5708 1.5709 1.5709 1.6656 1.6656 1.6656 1.6656 5.2932 5.2932 5.2932 5.2932 5.3526 5.3526 5.3526 5.3526 5.9570 5.9570 5.9571 5.9571 6.1010 6.1010 6.1011 6.1011 6.6520 6.6520 6.6520 6.6520 11.8937 11.8937 11.8937 11.8937 12.8785 12.8785 12.8786 12.8786 12.9269 12.9269 12.9270 12.9270 k = 0.0000 0.0000 0.4661 ( 4956 PWs) bands (ev): -18.1713 -18.1713 -18.1713 -18.1713 -14.9692 -14.9692 -14.9692 -14.9692 -11.8101 -11.8101 -11.8101 -11.8101 -11.8085 -11.8085 -11.8085 -11.8085 -4.9806 -4.9806 -4.9806 -4.9806 -3.2639 -3.2639 -3.2639 -3.2639 -3.1189 -3.1189 -3.1189 -3.1189 -0.6085 -0.6085 -0.6085 -0.6085 1.1749 1.1749 1.1749 1.1749 1.5718 1.5718 1.5718 1.5718 1.6666 1.6666 1.6666 1.6666 5.2939 5.2939 5.2939 5.2939 5.3532 5.3532 5.3532 5.3532 5.9585 5.9585 5.9585 5.9585 6.1030 6.1030 6.1030 6.1030 6.6523 6.6523 6.6523 6.6523 11.8936 11.8936 11.8936 11.8936 12.8764 12.8764 12.8764 12.8764 12.9248 12.9248 12.9248 12.9248 k = 0.5000 0.2887 0.4661 ( 4960 PWs) bands (ev): -18.0829 -18.0829 -18.0829 -18.0829 -15.1557 -15.1557 -15.1557 -15.1557 -11.8541 -11.8541 -11.8541 -11.8541 -11.8437 -11.8437 -11.8437 -11.8437 -4.7295 -4.7295 -4.7295 -4.7295 -2.9905 -2.9905 -2.9905 -2.9905 -2.6035 -2.6035 -2.6035 -2.6035 0.1338 0.1338 0.1338 0.1338 0.8633 0.8633 0.8633 0.8633 1.1338 1.1338 1.1338 1.1338 1.2615 1.2615 1.2615 1.2615 4.4065 4.4065 4.4065 4.4065 5.1328 5.1328 5.1328 5.1328 5.2878 5.2878 5.2878 5.2878 5.6658 5.6658 5.6658 5.6658 6.4488 6.4488 6.4488 6.4488 12.4080 12.4080 12.4080 12.4080 13.5571 13.5571 13.5571 13.5571 13.8428 13.8428 13.8428 13.8428 k = 0.5000 0.2887 0.4495 ( 4954 PWs) bands (ev): -18.0842 -18.0842 -18.0817 -18.0817 -15.1668 -15.1668 -15.1445 -15.1445 -11.8605 -11.8605 -11.8493 -11.8493 -11.8467 -11.8467 -11.8389 -11.8389 -4.7316 -4.7316 -4.7272 -4.7272 -2.9955 -2.9955 -2.9851 -2.9851 -2.6096 -2.6096 -2.5980 -2.5980 0.1312 0.1312 0.1363 0.1363 0.8587 0.8587 0.8637 0.8637 1.0708 1.0708 1.2009 1.2009 1.2593 1.2593 1.2641 1.2641 4.4044 4.4044 4.4093 4.4093 5.1119 5.1119 5.1524 5.1524 5.2606 5.2606 5.3155 5.3155 5.6486 5.6486 5.6837 5.6837 6.4446 6.4446 6.4532 6.4532 12.3433 12.3433 12.4738 12.4738 13.5067 13.5067 13.6096 13.6096 13.8177 13.8177 13.8681 13.8681 k = 0.5000 0.2887 0.4328 ( 4948 PWs) bands (ev): -18.0854 -18.0854 -18.0804 -18.0804 -15.1779 -15.1779 -15.1333 -15.1333 -11.8670 -11.8670 -11.8532 -11.8532 -11.8411 -11.8411 -11.8340 -11.8340 -4.7337 -4.7337 -4.7249 -4.7249 -3.0000 -3.0000 -2.9792 -2.9792 -2.6162 -2.6162 -2.5931 -2.5931 0.1287 0.1287 0.1389 0.1389 0.8468 0.8468 0.8618 0.8618 1.0157 1.0157 1.2554 1.2554 1.2651 1.2651 1.2741 1.2741 4.4030 4.4030 4.4127 4.4127 5.0895 5.0895 5.1700 5.1700 5.2342 5.2342 5.3436 5.3436 5.6323 5.6323 5.7022 5.7022 6.4405 6.4405 6.4577 6.4577 12.2799 12.2799 12.5406 12.5406 13.4586 13.4586 13.6634 13.6634 13.7941 13.7941 13.8928 13.8928 k = 0.5000 0.2887 0.4162 ( 4952 PWs) bands (ev): -18.0867 -18.0867 -18.0793 -18.0793 -15.1888 -15.1888 -15.1221 -15.1221 -11.8734 -11.8734 -11.8576 -11.8576 -11.8351 -11.8351 -11.8288 -11.8288 -4.7357 -4.7357 -4.7225 -4.7225 -3.0039 -3.0039 -2.9729 -2.9729 -2.6235 -2.6235 -2.5889 -2.5889 0.1262 0.1262 0.1415 0.1415 0.8223 0.8223 0.8581 0.8581 0.9740 0.9740 1.2545 1.2545 1.2691 1.2691 1.3432 1.3432 4.4022 4.4022 4.4167 4.4167 5.0660 5.0660 5.1829 5.1829 5.2116 5.2116 5.3718 5.3718 5.6168 5.6168 5.7212 5.7212 6.4367 6.4367 6.4624 6.4624 12.2180 12.2180 12.6080 12.6080 13.4127 13.4127 13.7139 13.7139 13.7770 13.7770 13.9159 13.9159 k = 0.5000 0.2887 0.3995 ( 4952 PWs) bands (ev): -18.0879 -18.0879 -18.0781 -18.0781 -15.1996 -15.1996 -15.1110 -15.1110 -11.8799 -11.8799 -11.8619 -11.8619 -11.8294 -11.8294 -11.8234 -11.8234 -4.7376 -4.7376 -4.7201 -4.7201 -3.0074 -3.0074 -2.9661 -2.9661 -2.6312 -2.6312 -2.5854 -2.5854 0.1236 0.1236 0.1441 0.1441 0.7824 0.7824 0.8533 0.8533 0.9484 0.9484 1.2528 1.2528 1.2721 1.2721 1.4153 1.4153 4.4020 4.4020 4.4213 4.4213 5.0414 5.0414 5.1737 5.1737 5.2103 5.2103 5.4002 5.4002 5.6022 5.6022 5.7406 5.7406 6.4330 6.4330 6.4672 6.4672 12.1578 12.1578 12.6756 12.6756 13.3690 13.3690 13.7293 13.7293 13.7985 13.7985 13.9362 13.9362 k = 0.5000 0.2887 0.3829 ( 4952 PWs) bands (ev): -18.0892 -18.0892 -18.0769 -18.0769 -15.2102 -15.2102 -15.1000 -15.1000 -11.8862 -11.8862 -11.8661 -11.8661 -11.8239 -11.8239 -11.8177 -11.8177 -4.7394 -4.7394 -4.7176 -4.7176 -3.0104 -3.0104 -2.9589 -2.9589 -2.6394 -2.6394 -2.5826 -2.5826 0.1211 0.1211 0.1468 0.1468 0.7318 0.7318 0.8477 0.8477 0.9347 0.9347 1.2511 1.2511 1.2751 1.2751 1.4880 1.4880 4.4025 4.4025 4.4264 4.4264 5.0159 5.0159 5.1503 5.1503 5.2225 5.2225 5.4285 5.4285 5.5886 5.5886 5.7603 5.7603 6.4295 6.4295 6.4720 6.4720 12.0995 12.0995 12.7433 12.7433 13.3276 13.3276 13.7136 13.7136 13.8547 13.8547 13.9525 13.9525 k = 0.5000 0.2887 0.3662 ( 4948 PWs) bands (ev): -18.0904 -18.0904 -18.0758 -18.0758 -15.2206 -15.2206 -15.0891 -15.0891 -11.8925 -11.8925 -11.8702 -11.8702 -11.8188 -11.8188 -11.8119 -11.8119 -4.7410 -4.7410 -4.7151 -4.7151 -3.0128 -3.0128 -2.9513 -2.9513 -2.6481 -2.6481 -2.5806 -2.5806 0.1184 0.1184 0.1495 0.1495 0.6764 0.6764 0.8413 0.8413 0.9270 0.9270 1.2496 1.2496 1.2782 1.2782 1.5608 1.5608 4.4035 4.4035 4.4321 4.4321 4.9896 4.9896 5.1255 5.1255 5.2353 5.2353 5.4568 5.4568 5.5758 5.5758 5.7800 5.7800 6.4261 6.4261 6.4770 6.4770 12.0432 12.0432 12.8104 12.8104 13.2883 13.2883 13.6950 13.6950 13.9149 13.9149 13.9650 13.9650 k = 0.5000 0.2887 0.3496 ( 4956 PWs) bands (ev): -18.0917 -18.0917 -18.0747 -18.0747 -15.2308 -15.2308 -15.0784 -15.0784 -11.8986 -11.8986 -11.8742 -11.8742 -11.8139 -11.8139 -11.8060 -11.8060 -4.7426 -4.7426 -4.7125 -4.7125 -3.0147 -3.0147 -2.9434 -2.9434 -2.6571 -2.6571 -2.5792 -2.5792 0.1156 0.1156 0.1521 0.1521 0.6198 0.6198 0.8344 0.8344 0.9220 0.9220 1.2483 1.2483 1.2814 1.2814 1.6333 1.6333 4.4051 4.4051 4.4383 4.4383 4.9628 4.9628 5.1010 5.1010 5.2474 5.2474 5.4850 5.4850 5.5640 5.5640 5.7995 5.7995 6.4230 6.4230 6.4820 6.4820 11.9889 11.9889 12.8767 12.8767 13.2511 13.2511 13.6777 13.6777 13.9489 13.9489 13.9979 13.9979 k = 0.5000 0.2887 0.3330 ( 4960 PWs) bands (ev): -18.0929 -18.0929 -18.0737 -18.0737 -15.2406 -15.2406 -15.0679 -15.0679 -11.9046 -11.9046 -11.8781 -11.8781 -11.8091 -11.8091 -11.8001 -11.8001 -4.7440 -4.7440 -4.7100 -4.7100 -3.0162 -3.0162 -2.9351 -2.9351 -2.6665 -2.6665 -2.5786 -2.5786 0.1126 0.1126 0.1548 0.1548 0.5639 0.5639 0.8270 0.8270 0.9182 0.9182 1.2471 1.2471 1.2847 1.2847 1.7052 1.7052 4.4073 4.4073 4.4449 4.4449 4.9355 4.9355 5.0769 5.0769 5.2586 5.2586 5.5129 5.5129 5.5530 5.5530 5.8189 5.8189 6.4200 6.4200 6.4871 6.4871 11.9369 11.9369 12.9414 12.9414 13.2160 13.2160 13.6626 13.6626 13.9413 13.9413 14.0635 14.0635 k = 0.5000 0.2887 0.3163 ( 4960 PWs) bands (ev): -18.0941 -18.0941 -18.0727 -18.0727 -15.2502 -15.2502 -15.0576 -15.0576 -11.9104 -11.9104 -11.8817 -11.8817 -11.8045 -11.8045 -11.7943 -11.7943 -4.7454 -4.7454 -4.7075 -4.7075 -3.0170 -3.0170 -2.9264 -2.9264 -2.6762 -2.6762 -2.5788 -2.5788 0.1093 0.1093 0.1574 0.1574 0.5094 0.5094 0.8194 0.8194 0.9149 0.9149 1.2461 1.2461 1.2879 1.2879 1.7762 1.7762 4.4099 4.4099 4.4518 4.4518 4.9081 4.9081 5.0534 5.0534 5.2689 5.2689 5.5403 5.5403 5.5430 5.5430 5.8379 5.8379 6.4173 6.4173 6.4921 6.4921 11.8872 11.8872 13.0039 13.0039 13.1831 13.1831 13.6503 13.6503 13.9169 13.9169 14.1353 14.1353 k = 0.5000 0.2887 0.2997 ( 4948 PWs) bands (ev): -18.0953 -18.0953 -18.0717 -18.0717 -15.2595 -15.2595 -15.0476 -15.0476 -11.9161 -11.9161 -11.8853 -11.8853 -11.8000 -11.8000 -11.7886 -11.7886 -4.7466 -4.7466 -4.7050 -4.7050 -3.0174 -3.0174 -2.9175 -2.9175 -2.6861 -2.6861 -2.5796 -2.5796 0.1057 0.1057 0.1599 0.1599 0.4572 0.4572 0.8116 0.8116 0.9117 0.9117 1.2452 1.2452 1.2912 1.2912 1.8459 1.8459 4.4130 4.4130 4.4591 4.4591 4.8807 4.8807 5.0305 5.0305 5.2783 5.2783 5.5334 5.5334 5.5677 5.5677 5.8564 5.8564 6.4147 6.4147 6.4972 6.4972 11.8399 11.8399 13.0630 13.0630 13.1524 13.1524 13.6414 13.6414 13.8798 13.8798 14.2100 14.2100 k = 0.5000 0.2887 0.2830 ( 4958 PWs) bands (ev): -18.0964 -18.0964 -18.0708 -18.0708 -15.2684 -15.2684 -15.0379 -15.0379 -11.9215 -11.9215 -11.8887 -11.8887 -11.7957 -11.7957 -11.7831 -11.7831 -4.7477 -4.7477 -4.7025 -4.7025 -3.0173 -3.0173 -2.9083 -2.9083 -2.6962 -2.6962 -2.5813 -2.5813 0.1016 0.1016 0.1623 0.1623 0.4077 0.4077 0.8036 0.8036 0.9085 0.9085 1.2444 1.2444 1.2945 1.2945 1.9142 1.9142 4.4166 4.4166 4.4665 4.4665 4.8535 4.8535 5.0084 5.0084 5.2870 5.2870 5.5248 5.5248 5.5942 5.5942 5.8742 5.8742 6.4122 6.4122 6.5022 6.5022 11.7950 11.7950 13.1111 13.1111 13.1307 13.1307 13.6365 13.6365 13.8327 13.8327 14.2866 14.2866 k = 0.5000 0.2887 0.2664 ( 4962 PWs) bands (ev): -18.0975 -18.0975 -18.0699 -18.0699 -15.2769 -15.2769 -15.0285 -15.0285 -11.9267 -11.9267 -11.8919 -11.8919 -11.7916 -11.7916 -11.7778 -11.7778 -4.7487 -4.7487 -4.7001 -4.7001 -3.0166 -3.0166 -2.8988 -2.8988 -2.7064 -2.7064 -2.5837 -2.5837 0.0968 0.0968 0.1645 0.1645 0.3614 0.3614 0.7956 0.7956 0.9052 0.9052 1.2438 1.2438 1.2978 1.2978 1.9806 1.9806 4.4205 4.4205 4.4741 4.4741 4.8267 4.8267 4.9870 4.9870 5.2949 5.2949 5.5168 5.5168 5.6202 5.6202 5.8913 5.8913 6.4099 6.4099 6.5071 6.5071 11.7527 11.7527 13.0933 13.0933 13.1718 13.1718 13.6362 13.6362 13.7791 13.7791 14.3635 14.3635 k = 0.5000 0.2887 0.2497 ( 4966 PWs) bands (ev): -18.0986 -18.0986 -18.0691 -18.0691 -15.2850 -15.2850 -15.0196 -15.0196 -11.9317 -11.9317 -11.8949 -11.8949 -11.7875 -11.7875 -11.7727 -11.7727 -4.7496 -4.7496 -4.6978 -4.6978 -3.0155 -3.0155 -2.8892 -2.8892 -2.7166 -2.7166 -2.5868 -2.5868 0.0908 0.0908 0.1665 0.1665 0.3189 0.3189 0.7877 0.7877 0.9019 0.9019 1.2434 1.2434 1.3010 1.3010 2.0448 2.0448 4.4247 4.4247 4.4817 4.4817 4.8006 4.8006 4.9663 4.9663 5.3021 5.3021 5.5095 5.5095 5.6453 5.6453 5.9077 5.9077 6.4078 6.4078 6.5119 6.5119 11.7129 11.7129 13.0682 13.0682 13.2160 13.2160 13.6407 13.6407 13.7220 13.7220 14.4308 14.4309 k = 0.5000 0.2887 0.2331 ( 4974 PWs) bands (ev): -18.0996 -18.0996 -18.0683 -18.0683 -15.2928 -15.2928 -15.0110 -15.0110 -11.9365 -11.9365 -11.8978 -11.8978 -11.7837 -11.7837 -11.7678 -11.7678 -4.7504 -4.7504 -4.6956 -4.6956 -3.0139 -3.0139 -2.8795 -2.8795 -2.7267 -2.7267 -2.5906 -2.5906 0.0834 0.0834 0.1681 0.1681 0.2809 0.2809 0.7799 0.7799 0.8984 0.8984 1.2430 1.2430 1.3041 1.3041 2.1067 2.1067 4.4293 4.4293 4.4894 4.4894 4.7752 4.7752 4.9465 4.9465 5.3086 5.3086 5.5028 5.5028 5.6696 5.6696 5.9231 5.9231 6.4059 6.4059 6.5166 6.5166 11.6758 11.6758 13.0445 13.0445 13.2537 13.2537 13.6452 13.6452 13.6691 13.6691 14.4376 14.4376 k = 0.5000 0.2887 0.2164 ( 4978 PWs) bands (ev): -18.1006 -18.1006 -18.0676 -18.0676 -15.3000 -15.3000 -15.0029 -15.0029 -11.9410 -11.9410 -11.9005 -11.9005 -11.7800 -11.7800 -11.7632 -11.7632 -4.7511 -4.7511 -4.6934 -4.6934 -3.0119 -3.0119 -2.8698 -2.8698 -2.7367 -2.7367 -2.5951 -2.5951 0.0740 0.0740 0.1689 0.1689 0.2484 0.2484 0.7723 0.7723 0.8949 0.8949 1.2427 1.2427 1.3072 1.3072 2.1658 2.1658 4.4340 4.4340 4.4969 4.4969 4.7508 4.7508 4.9276 4.9276 5.3146 5.3146 5.4967 5.4967 5.6928 5.6928 5.9376 5.9376 6.4040 6.4040 6.5211 6.5211 11.6413 11.6413 13.0224 13.0224 13.2844 13.2844 13.5999 13.5999 13.6717 13.6717 14.4261 14.4261 k = 0.5000 0.2887 0.1998 ( 4974 PWs) bands (ev): -18.1015 -18.1015 -18.0669 -18.0669 -15.3068 -15.3068 -14.9952 -14.9952 -11.9452 -11.9452 -11.9030 -11.9030 -11.7766 -11.7766 -11.7588 -11.7588 -4.7517 -4.7517 -4.6913 -4.6913 -3.0094 -3.0094 -2.8602 -2.8602 -2.7462 -2.7462 -2.6003 -2.6003 0.0619 0.0619 0.1682 0.1682 0.2227 0.2227 0.7650 0.7650 0.8913 0.8913 1.2425 1.2425 1.3101 1.3101 2.2220 2.2220 4.4390 4.4390 4.5042 4.5042 4.7275 4.7275 4.9097 4.9097 5.3200 5.3200 5.4912 5.4912 5.7150 5.7150 5.9512 5.9512 6.4024 6.4024 6.5254 6.5254 11.6095 11.6095 13.0020 13.0020 13.3083 13.3083 13.5429 13.5429 13.6921 13.6921 14.4172 14.4172 k = 0.5000 0.2887 0.1831 ( 4972 PWs) bands (ev): -18.1023 -18.1023 -18.0663 -18.0663 -15.3132 -15.3132 -14.9881 -14.9881 -11.9491 -11.9491 -11.9053 -11.9053 -11.7734 -11.7734 -11.7548 -11.7548 -4.7522 -4.7522 -4.6894 -4.6894 -3.0066 -3.0066 -2.8510 -2.8510 -2.7550 -2.7550 -2.6062 -2.6062 0.0470 0.0470 0.1648 0.1648 0.2055 0.2055 0.7581 0.7581 0.8879 0.8879 1.2424 1.2424 1.3129 1.3129 2.2748 2.2748 4.4440 4.4440 4.5112 4.5112 4.7055 4.7055 4.8927 4.8927 5.3249 5.3249 5.4862 5.4862 5.7359 5.7359 5.9637 5.9637 6.4008 6.4008 6.5295 6.5295 11.5804 11.5804 12.9833 12.9833 13.3262 13.3262 13.4876 13.4876 13.7167 13.7167 14.4124 14.4124 k = 0.5000 0.2887 0.1665 ( 4976 PWs) bands (ev): -18.1031 -18.1031 -18.0657 -18.0657 -15.3190 -15.3190 -14.9815 -14.9815 -11.9528 -11.9528 -11.9074 -11.9074 -11.7704 -11.7704 -11.7510 -11.7510 -4.7527 -4.7527 -4.6876 -4.6876 -3.0034 -3.0034 -2.8425 -2.8425 -2.7627 -2.7627 -2.6127 -2.6127 0.0296 0.0296 0.1583 0.1583 0.1968 0.1968 0.7516 0.7516 0.8845 0.8845 1.2423 1.2423 1.3155 1.3155 2.3242 2.3242 4.4491 4.4491 4.5179 4.5179 4.6849 4.6849 4.8767 4.8767 5.3293 5.3293 5.4816 5.4816 5.7554 5.7554 5.9751 5.9751 6.3994 6.3994 6.5333 6.5333 11.5540 11.5540 12.9662 12.9662 13.3393 13.3393 13.4352 13.4352 13.7435 13.7435 14.4120 14.4120 k = 0.5000 0.2887 0.1498 ( 4990 PWs) bands (ev): -18.1039 -18.1039 -18.0652 -18.0652 -15.3243 -15.3243 -14.9754 -14.9754 -11.9561 -11.9561 -11.9093 -11.9093 -11.7676 -11.7676 -11.7476 -11.7476 -4.7531 -4.7531 -4.6859 -4.6859 -2.9999 -2.9999 -2.8355 -2.8355 -2.7686 -2.7686 -2.6197 -2.6197 0.0108 0.0108 0.1506 0.1506 0.1936 0.1936 0.7455 0.7455 0.8812 0.8812 1.2423 1.2423 1.3179 1.3179 2.3697 2.3697 4.4541 4.4541 4.5242 4.5242 4.6659 4.6659 4.8619 4.8619 5.3332 5.3332 5.4776 5.4776 5.7734 5.7734 5.9855 5.9855 6.3981 6.3981 6.5369 6.5369 11.5302 11.5302 12.9508 12.9508 13.3483 13.3483 13.3869 13.3869 13.7710 13.7710 14.4155 14.4155 k = 0.5000 0.2887 0.1332 ( 4994 PWs) bands (ev): -18.1045 -18.1045 -18.0647 -18.0647 -15.3291 -15.3291 -14.9699 -14.9699 -11.9591 -11.9591 -11.9110 -11.9110 -11.7651 -11.7651 -11.7445 -11.7445 -4.7534 -4.7534 -4.6844 -4.6844 -2.9962 -2.9962 -2.8309 -2.8309 -2.7715 -2.7715 -2.6273 -2.6273 -0.0084 -0.0084 0.1438 0.1438 0.1928 0.1928 0.7399 0.7399 0.8782 0.8782 1.2424 1.2424 1.3201 1.3201 2.4111 2.4111 4.4591 4.4591 4.5300 4.5300 4.6485 4.6485 4.8483 4.8483 5.3366 5.3366 5.4740 5.4740 5.7899 5.7899 5.9948 5.9948 6.3970 6.3970 6.5402 6.5402 11.5090 11.5090 12.9370 12.9370 13.3382 13.3382 13.3592 13.3592 13.7983 13.7983 14.4224 14.4224 k = 0.5000 0.2887 0.1165 ( 4994 PWs) bands (ev): -18.1051 -18.1051 -18.0643 -18.0643 -15.3334 -15.3334 -14.9650 -14.9650 -11.9617 -11.9617 -11.9126 -11.9126 -11.7628 -11.7628 -11.7418 -11.7418 -4.7537 -4.7537 -4.6830 -4.6830 -2.9923 -2.9923 -2.8295 -2.8295 -2.7708 -2.7708 -2.6354 -2.6354 -0.0267 -0.0267 0.1384 0.1384 0.1931 0.1931 0.7349 0.7349 0.8754 0.8754 1.2424 1.2424 1.3221 1.3221 2.4483 2.4483 4.4638 4.4638 4.5352 4.5352 4.6330 4.6330 4.8360 4.8360 5.3396 5.3396 5.4709 5.4709 5.8047 5.8047 6.0031 6.0031 6.3959 6.3959 6.5431 6.5431 11.4904 11.4904 12.9248 12.9248 13.2993 13.2993 13.3629 13.3629 13.8245 13.8245 14.4320 14.4320 k = 0.5000 0.2887 0.0999 ( 4984 PWs) bands (ev): -18.1056 -18.1056 -18.0639 -18.0639 -15.3371 -15.3371 -14.9607 -14.9607 -11.9640 -11.9640 -11.9139 -11.9139 -11.7609 -11.7609 -11.7393 -11.7393 -4.7539 -4.7539 -4.6818 -4.6818 -2.9885 -2.9885 -2.8312 -2.8312 -2.7663 -2.7663 -2.6439 -2.6439 -0.0435 -0.0435 0.1341 0.1341 0.1936 0.1936 0.7305 0.7305 0.8729 0.8729 1.2425 1.2425 1.3239 1.3239 2.4809 2.4809 4.4683 4.4683 4.5398 4.5398 4.6193 4.6193 4.8250 4.8250 5.3422 5.3422 5.4682 5.4682 5.8178 5.8178 6.0102 6.0102 6.3950 6.3950 6.5457 6.5457 11.4744 11.4744 12.9142 12.9142 13.2638 13.2638 13.3666 13.3666 13.8492 13.8492 14.4433 14.4433 k = 0.5000 0.2887 0.0832 ( 4980 PWs) bands (ev): -18.1061 -18.1061 -18.0636 -18.0636 -15.3402 -15.3402 -14.9571 -14.9571 -11.9660 -11.9660 -11.9150 -11.9150 -11.7592 -11.7592 -11.7373 -11.7373 -4.7541 -4.7541 -4.6808 -4.6808 -2.9847 -2.9847 -2.8348 -2.8348 -2.7593 -2.7593 -2.6527 -2.6527 -0.0583 -0.0583 0.1308 0.1308 0.1943 0.1943 0.7266 0.7266 0.8707 0.8707 1.2426 1.2426 1.3255 1.3255 2.5089 2.5089 4.4723 4.4723 4.5438 4.5438 4.6076 4.6076 4.8155 4.8155 5.3444 5.3444 5.4659 5.4659 5.8290 5.8290 6.0163 6.0163 6.3943 6.3943 6.5479 6.5479 11.4610 11.4610 12.9053 12.9053 13.2331 13.2331 13.3696 13.3696 13.8719 13.8719 14.4553 14.4553 k = 0.5000 0.2887 0.0666 ( 4968 PWs) bands (ev): -18.1065 -18.1065 -18.0633 -18.0633 -15.3428 -15.3428 -14.9540 -14.9540 -11.9676 -11.9676 -11.9159 -11.9159 -11.7578 -11.7578 -11.7356 -11.7356 -4.7542 -4.7542 -4.6799 -4.6799 -2.9813 -2.9813 -2.8390 -2.8390 -2.7509 -2.7509 -2.6617 -2.6617 -0.0708 -0.0708 0.1283 0.1283 0.1950 0.1950 0.7235 0.7235 0.8688 0.8688 1.2427 1.2427 1.3267 1.3267 2.5320 2.5320 4.4758 4.4758 4.5470 4.5470 4.5979 4.5979 4.8076 4.8076 5.3462 5.3462 5.4641 5.4641 5.8382 5.8382 6.0212 6.0212 6.3937 6.3937 6.5498 6.5498 11.4501 11.4501 12.8980 12.8980 13.2076 13.2076 13.3718 13.3718 13.8921 13.8921 14.4672 14.4672 k = 0.5000 0.2887 0.0499 ( 4970 PWs) bands (ev): -18.1067 -18.1067 -18.0631 -18.0631 -15.3448 -15.3448 -14.9517 -14.9517 -11.9689 -11.9689 -11.9167 -11.9167 -11.7567 -11.7567 -11.7343 -11.7343 -4.7543 -4.7543 -4.6793 -4.6793 -2.9783 -2.9783 -2.8430 -2.8430 -2.7420 -2.7420 -2.6707 -2.6707 -0.0806 -0.0806 0.1265 0.1265 0.1956 0.1956 0.7210 0.7210 0.8674 0.8674 1.2427 1.2427 1.3277 1.3277 2.5501 2.5501 4.4786 4.4786 4.5496 4.5496 4.5903 4.5903 4.8013 4.8013 5.3475 5.3475 5.4627 5.4627 5.8455 5.8455 6.0250 6.0250 6.3932 6.3932 6.5512 6.5512 11.4416 11.4416 12.8922 12.8922 13.1877 13.1877 13.3734 13.3734 13.9091 13.9091 14.4778 14.4778 k = 0.5000 0.2887 0.0333 ( 4978 PWs) bands (ev): -18.1069 -18.1069 -18.0630 -18.0630 -15.3463 -15.3463 -14.9500 -14.9500 -11.9698 -11.9698 -11.9172 -11.9172 -11.7559 -11.7559 -11.7333 -11.7333 -4.7544 -4.7544 -4.6788 -4.6788 -2.9759 -2.9759 -2.8463 -2.8463 -2.7333 -2.7333 -2.6793 -2.6793 -0.0877 -0.0877 0.1252 0.1252 0.1960 0.1960 0.7192 0.7192 0.8663 0.8663 1.2428 1.2428 1.3285 1.3285 2.5632 2.5632 4.4808 4.4808 4.5514 4.5514 4.5848 4.5848 4.7967 4.7967 5.3485 5.3485 5.4616 5.4616 5.8507 5.8507 6.0278 6.0278 6.3928 6.3928 6.5523 6.5523 11.4356 11.4356 12.8882 12.8882 13.1733 13.1733 13.3745 13.3745 13.9222 13.9222 14.4864 14.4864 k = 0.5000 0.2887 0.0166 ( 4970 PWs) bands (ev): -18.1071 -18.1071 -18.0629 -18.0629 -15.3472 -15.3472 -14.9490 -14.9490 -11.9704 -11.9704 -11.9175 -11.9175 -11.7555 -11.7555 -11.7327 -11.7327 -4.7545 -4.7545 -4.6785 -4.6785 -2.9744 -2.9744 -2.8484 -2.8484 -2.7262 -2.7262 -2.6863 -2.6863 -0.0920 -0.0920 0.1245 0.1245 0.1963 0.1963 0.7182 0.7182 0.8657 0.8657 1.2428 1.2428 1.3289 1.3289 2.5710 2.5710 4.4821 4.4821 4.5525 4.5525 4.5815 4.5815 4.7939 4.7939 5.3491 5.3491 5.4610 5.4610 5.8539 5.8539 6.0294 6.0294 6.3926 6.3926 6.5529 6.5529 11.4320 11.4320 12.8857 12.8857 13.1646 13.1646 13.3752 13.3752 13.9304 13.9304 14.4921 14.4921 k = 0.5000 0.2887-0.0000 ( 4972 PWs) bands (ev): -18.1071 -18.1071 -18.0629 -18.0629 -15.3475 -15.3475 -14.9487 -14.9487 -11.9705 -11.9705 -11.9176 -11.9176 -11.7553 -11.7553 -11.7325 -11.7325 -4.7545 -4.7545 -4.6784 -4.6784 -2.9739 -2.9739 -2.8491 -2.8491 -2.7231 -2.7231 -2.6894 -2.6894 -0.0935 -0.0935 0.1242 0.1242 0.1963 0.1963 0.7178 0.7178 0.8655 0.8655 1.2428 1.2428 1.3290 1.3290 2.5736 2.5736 4.4825 4.4825 4.5529 4.5529 4.5804 4.5804 4.7930 4.7930 5.3493 5.3493 5.4608 5.4608 5.8549 5.8549 6.0300 6.0300 6.3926 6.3926 6.5531 6.5531 11.4308 11.4308 12.8849 12.8849 13.1617 13.1617 13.3754 13.3754 13.9333 13.9333 14.4940 14.4940 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3781 -15.3781 -14.9634 -14.9634 -12.0015 -12.0015 -11.9882 -11.9882 -11.7015 -11.7015 -11.7008 -11.7008 -4.7295 -4.7295 -4.6413 -4.6413 -2.9835 -2.9835 -2.7723 -2.7723 -2.6387 -2.6387 -2.5898 -2.5898 -0.1470 -0.1470 0.2039 0.2039 0.3250 0.3250 0.5271 0.5271 0.5394 0.5394 1.3776 1.3776 1.3928 1.3928 2.5802 2.5802 4.5796 4.5796 4.5974 4.5974 4.6845 4.6845 4.6902 4.6902 5.2416 5.2416 5.3449 5.3449 5.9489 5.9489 5.9511 5.9511 6.0230 6.0230 6.3552 6.3552 11.1058 11.1058 13.4267 13.4267 13.4379 13.4379 13.9924 13.9924 14.1307 14.1307 14.1901 14.1901 k = 0.3333 0.5774 0.0166 ( 4962 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3778 -15.3778 -14.9638 -14.9638 -12.0014 -12.0014 -11.9882 -11.9882 -11.7017 -11.7017 -11.7009 -11.7009 -4.7295 -4.7295 -4.6414 -4.6414 -2.9835 -2.9835 -2.7723 -2.7723 -2.6400 -2.6400 -2.5886 -2.5886 -0.1453 -0.1453 0.2039 0.2039 0.3250 0.3250 0.5275 0.5275 0.5398 0.5398 1.3776 1.3776 1.3927 1.3927 2.5775 2.5775 4.5769 4.5769 4.5941 4.5941 4.6883 4.6883 4.6935 4.6935 5.2414 5.2414 5.3447 5.3447 5.9482 5.9482 5.9503 5.9503 6.0232 6.0232 6.3548 6.3548 11.1081 11.1081 13.4261 13.4261 13.4375 13.4375 13.9896 13.9896 14.1325 14.1325 14.1917 14.1917 k = 0.3333 0.5774 0.0333 ( 4962 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3769 -15.3769 -14.9648 -14.9648 -12.0012 -12.0012 -11.9879 -11.9879 -11.7020 -11.7020 -11.7012 -11.7012 -4.7294 -4.7294 -4.6415 -4.6415 -2.9835 -2.9835 -2.7722 -2.7722 -2.6434 -2.6434 -2.5855 -2.5855 -0.1399 -0.1399 0.2038 0.2038 0.3249 0.3249 0.5287 0.5287 0.5410 0.5410 1.3774 1.3774 1.3925 1.3925 2.5697 2.5697 4.5696 4.5696 4.5856 4.5856 4.6985 4.6985 4.7024 4.7024 5.2408 5.2408 5.3440 5.3440 5.9461 5.9461 5.9481 5.9481 6.0238 6.0238 6.3539 6.3539 11.1151 11.1151 13.4246 13.4246 13.4364 13.4364 13.9812 13.9812 14.1380 14.1380 14.1965 14.1965 k = 0.3333 0.5774 0.0499 ( 4950 PWs) bands (ev): -18.0732 -18.0732 -18.0732 -18.0732 -15.3754 -15.3754 -14.9666 -14.9666 -12.0008 -12.0008 -11.9875 -11.9875 -11.7025 -11.7025 -11.7018 -11.7018 -4.7294 -4.7294 -4.6418 -4.6418 -2.9835 -2.9835 -2.7720 -2.7720 -2.6484 -2.6484 -2.5809 -2.5809 -0.1311 -0.1311 0.2037 0.2037 0.3248 0.3248 0.5306 0.5306 0.5430 0.5430 1.3771 1.3771 1.3921 1.3921 2.5568 2.5568 4.5593 4.5594 4.5740 4.5740 4.7126 4.7126 4.7154 4.7154 5.2398 5.2398 5.3429 5.3429 5.9426 5.9426 5.9445 5.9445 6.0248 6.0248 6.3523 6.3523 11.1266 11.1266 13.4221 13.4221 13.4346 13.4346 13.9678 13.9678 14.1470 14.1470 14.2045 14.2045 k = 0.3333 0.5774 0.0666 ( 4947 PWs) bands (ev): -18.0732 -18.0732 -18.0731 -18.0731 -15.3733 -15.3733 -14.9690 -14.9690 -12.0003 -12.0003 -11.9870 -11.9870 -11.7033 -11.7033 -11.7026 -11.7026 -4.7292 -4.7292 -4.6422 -4.6422 -2.9835 -2.9835 -2.7718 -2.7718 -2.6543 -2.6543 -2.5755 -2.5755 -0.1187 -0.1187 0.2035 0.2035 0.3246 0.3246 0.5333 0.5333 0.5457 0.5457 1.3767 1.3767 1.3916 1.3916 2.5387 2.5387 4.5474 4.5474 4.5611 4.5611 4.7291 4.7291 4.7312 4.7312 5.2385 5.2385 5.3413 5.3413 5.9376 5.9376 5.9394 5.9394 6.0262 6.0262 6.3501 6.3501 11.1427 11.1427 13.4186 13.4186 13.4321 13.4321 13.9503 13.9503 14.1597 14.1597 14.2158 14.2158 k = 0.3333 0.5774 0.0832 ( 4971 PWs) bands (ev): -18.0731 -18.0731 -18.0731 -18.0731 -15.3705 -15.3705 -14.9721 -14.9721 -11.9997 -11.9997 -11.9863 -11.9863 -11.7042 -11.7042 -11.7036 -11.7036 -4.7291 -4.7291 -4.6427 -4.6427 -2.9835 -2.9835 -2.7715 -2.7715 -2.6610 -2.6610 -2.5696 -2.5696 -0.1030 -0.1030 0.2033 0.2033 0.3244 0.3244 0.5366 0.5366 0.5491 0.5491 1.3762 1.3762 1.3910 1.3910 2.5157 2.5157 4.5347 4.5347 4.5477 4.5477 4.7470 4.7470 4.7487 4.7487 5.2368 5.2368 5.3393 5.3393 5.9313 5.9313 5.9329 5.9329 6.0281 6.0281 6.3473 6.3473 11.1634 11.1634 13.4142 13.4142 13.4288 13.4288 13.9294 13.9294 14.1760 14.1760 14.2302 14.2311 k = 0.3333 0.5774 0.0999 ( 4977 PWs) bands (ev): -18.0730 -18.0730 -18.0730 -18.0730 -15.3672 -15.3672 -14.9759 -14.9759 -11.9989 -11.9989 -11.9855 -11.9855 -11.7054 -11.7054 -11.7047 -11.7047 -4.7289 -4.7289 -4.6433 -4.6433 -2.9835 -2.9835 -2.7711 -2.7711 -2.6681 -2.6681 -2.5635 -2.5635 -0.0839 -0.0839 0.2031 0.2031 0.3243 0.3243 0.5407 0.5407 0.5533 0.5533 1.3755 1.3755 1.3902 1.3902 2.4879 2.4879 4.5216 4.5216 4.5341 4.5341 4.7661 4.7661 4.7677 4.7677 5.2348 5.2348 5.3370 5.3370 5.9236 5.9236 5.9251 5.9251 6.0304 6.0304 6.3439 6.3439 11.1886 11.1886 13.4090 13.4090 13.4249 13.4249 13.9060 13.9060 14.1958 14.1958 14.2357 14.2357 k = 0.3333 0.5774 0.1165 ( 4980 PWs) bands (ev): -18.0730 -18.0730 -18.0730 -18.0730 -15.3633 -15.3633 -14.9803 -14.9803 -11.9980 -11.9980 -11.9846 -11.9846 -11.7067 -11.7067 -11.7061 -11.7061 -4.7288 -4.7288 -4.6439 -4.6439 -2.9834 -2.9834 -2.7707 -2.7707 -2.6755 -2.6755 -2.5572 -2.5572 -0.0616 -0.0616 0.2030 0.2030 0.3242 0.3242 0.5454 0.5454 0.5580 0.5580 1.3748 1.3748 1.3893 1.3893 2.4553 2.4553 4.5085 4.5085 4.5207 4.5207 4.7859 4.7859 4.7876 4.7876 5.2326 5.2326 5.3343 5.3343 5.9147 5.9147 5.9159 5.9159 6.0331 6.0331 6.3399 6.3399 11.2183 11.2183 13.4031 13.4031 13.4204 13.4204 13.8805 13.8805 14.2191 14.2191 14.2273 14.2273 k = 0.3333 0.5774 0.1332 ( 4980 PWs) bands (ev): -18.0729 -18.0729 -18.0729 -18.0729 -15.3588 -15.3588 -14.9853 -14.9853 -11.9970 -11.9970 -11.9835 -11.9835 -11.7082 -11.7082 -11.7076 -11.7076 -4.7285 -4.7285 -4.6447 -4.6447 -2.9832 -2.9832 -2.7702 -2.7702 -2.6831 -2.6831 -2.5509 -2.5509 -0.0363 -0.0363 0.2031 0.2031 0.3242 0.3242 0.5507 0.5507 0.5634 0.5634 1.3740 1.3740 1.3883 1.3883 2.4183 2.4183 4.4956 4.4956 4.5076 4.5076 4.8063 4.8063 4.8084 4.8084 5.2301 5.2301 5.3313 5.3313 5.9046 5.9046 5.9056 5.9056 6.0362 6.0362 6.3354 6.3354 11.2523 11.2523 13.3966 13.3966 13.4153 13.4153 13.8535 13.8535 14.2180 14.2180 14.2458 14.2458 k = 0.3333 0.5774 0.1498 ( 4980 PWs) bands (ev): -18.0728 -18.0728 -18.0728 -18.0728 -15.3538 -15.3538 -14.9910 -14.9910 -11.9958 -11.9958 -11.9823 -11.9823 -11.7099 -11.7099 -11.7093 -11.7093 -4.7283 -4.7283 -4.6455 -4.6455 -2.9829 -2.9829 -2.7697 -2.7697 -2.6908 -2.6908 -2.5447 -2.5447 -0.0083 -0.0083 0.2035 0.2035 0.3244 0.3244 0.5565 0.5565 0.5693 0.5693 1.3731 1.3731 1.3872 1.3872 2.3770 2.3770 4.4829 4.4829 4.4948 4.4948 4.8272 4.8272 4.8298 4.8298 5.2275 5.2275 5.3279 5.3279 5.8933 5.8933 5.8940 5.8940 6.0397 6.0397 6.3304 6.3304 11.2907 11.2907 13.3896 13.3896 13.4097 13.4097 13.8253 13.8253 14.2079 14.2079 14.2759 14.2760 k = 0.3333 0.5774 0.1665 ( 4983 PWs) bands (ev): -18.0727 -18.0727 -18.0727 -18.0727 -15.3482 -15.3482 -14.9972 -14.9972 -11.9946 -11.9946 -11.9811 -11.9811 -11.7116 -11.7116 -11.7111 -11.7111 -4.7281 -4.7281 -4.6464 -4.6464 -2.9826 -2.9826 -2.7692 -2.7692 -2.6987 -2.6987 -2.5386 -2.5386 0.0220 0.0220 0.2044 0.2044 0.3250 0.3250 0.5628 0.5628 0.5756 0.5756 1.3722 1.3722 1.3861 1.3861 2.3316 2.3316 4.4706 4.4706 4.4824 4.4824 4.8483 4.8483 4.8517 4.8517 5.2248 5.2248 5.3243 5.3243 5.8809 5.8809 5.8814 5.8814 6.0437 6.0437 6.3249 6.3249 11.3333 11.3333 13.3821 13.3821 13.4036 13.4036 13.7958 13.7958 14.1970 14.1970 14.3094 14.3094 k = 0.3333 0.5774 0.1831 ( 4989 PWs) bands (ev): -18.0726 -18.0726 -18.0726 -18.0726 -15.3421 -15.3421 -15.0041 -15.0041 -11.9933 -11.9933 -11.9797 -11.9797 -11.7135 -11.7135 -11.7131 -11.7131 -4.7278 -4.7278 -4.6473 -4.6473 -2.9821 -2.9821 -2.7687 -2.7686 -2.7066 -2.7066 -2.5326 -2.5326 0.0540 0.0540 0.2064 0.2064 0.3262 0.3262 0.5694 0.5694 0.5824 0.5824 1.3712 1.3712 1.3848 1.3848 2.2824 2.2824 4.4586 4.4586 4.4704 4.4704 4.8698 4.8698 4.8741 4.8741 5.2220 5.2220 5.3205 5.3205 5.8675 5.8675 5.8678 5.8678 6.0480 6.0480 6.3189 6.3189 11.3801 11.3801 13.3742 13.3742 13.3972 13.3972 13.7652 13.7652 14.1855 14.1855 14.3462 14.3462 k = 0.3333 0.5774 0.1998 ( 4959 PWs) bands (ev): -18.0725 -18.0725 -18.0725 -18.0725 -15.3354 -15.3354 -15.0114 -15.0114 -11.9919 -11.9919 -11.9782 -11.9782 -11.7155 -11.7155 -11.7151 -11.7151 -4.7275 -4.7275 -4.6482 -4.6482 -2.9815 -2.9815 -2.7681 -2.7681 -2.7145 -2.7145 -2.5267 -2.5267 0.0862 0.0862 0.2101 0.2101 0.3284 0.3284 0.5764 0.5764 0.5894 0.5894 1.3701 1.3701 1.3835 1.3835 2.2296 2.2296 4.4471 4.4471 4.4589 4.4589 4.8913 4.8913 4.8968 4.8968 5.2192 5.2192 5.3165 5.3165 5.8533 5.8533 5.8533 5.8533 6.0528 6.0528 6.3124 6.3124 11.4310 11.4310 13.3662 13.3662 13.3904 13.3904 13.7331 13.7331 14.1736 14.1736 14.3862 14.3862 k = 0.3333 0.5774 0.2164 ( 4965 PWs) bands (ev): -18.0724 -18.0724 -18.0724 -18.0724 -15.3283 -15.3283 -15.0193 -15.0193 -11.9905 -11.9905 -11.9767 -11.9767 -11.7176 -11.7176 -11.7173 -11.7173 -4.7272 -4.7272 -4.6492 -4.6492 -2.9807 -2.9807 -2.7675 -2.7675 -2.7224 -2.7224 -2.5211 -2.5211 0.1162 0.1162 0.2171 0.2171 0.3324 0.3324 0.5836 0.5836 0.5967 0.5967 1.3690 1.3690 1.3822 1.3822 2.1735 2.1735 4.4360 4.4360 4.4478 4.4478 4.9128 4.9128 4.9197 4.9197 5.2166 5.2166 5.3123 5.3123 5.8380 5.8380 5.8383 5.8383 6.0578 6.0578 6.3056 6.3056 11.4858 11.4858 13.3581 13.3581 13.3835 13.3835 13.6990 13.6990 14.1613 14.1613 14.4294 14.4294 k = 0.3333 0.5774 0.2331 ( 4965 PWs) bands (ev): -18.0723 -18.0723 -18.0723 -18.0723 -15.3207 -15.3207 -15.0277 -15.0277 -11.9890 -11.9890 -11.9752 -11.9752 -11.7197 -11.7197 -11.7195 -11.7195 -4.7270 -4.7270 -4.6502 -4.6502 -2.9798 -2.9798 -2.7669 -2.7669 -2.7302 -2.7302 -2.5157 -2.5157 0.1404 0.1404 0.2294 0.2294 0.3399 0.3399 0.5909 0.5909 0.6041 0.6041 1.3679 1.3679 1.3809 1.3809 2.1142 2.1142 4.4254 4.4254 4.4373 4.4373 4.9341 4.9341 4.9428 4.9428 5.2142 5.2142 5.3080 5.3080 5.8220 5.8220 5.8227 5.8227 6.0633 6.0633 6.2984 6.2984 11.5444 11.5444 13.3499 13.3499 13.3764 13.3764 13.6626 13.6626 14.1489 14.1489 14.4755 14.4756 k = 0.3333 0.5774 0.2497 ( 4959 PWs) bands (ev): -18.0722 -18.0722 -18.0722 -18.0722 -15.3126 -15.3126 -15.0365 -15.0365 -11.9875 -11.9875 -11.9736 -11.9736 -11.7218 -11.7218 -11.7217 -11.7217 -4.7267 -4.7267 -4.6512 -4.6512 -2.9787 -2.9787 -2.7663 -2.7663 -2.7379 -2.7379 -2.5106 -2.5106 0.1560 0.1560 0.2466 0.2466 0.3540 0.3540 0.5982 0.5982 0.6116 0.6116 1.3668 1.3668 1.3795 1.3795 2.0523 2.0523 4.4154 4.4154 4.4273 4.4273 4.9551 4.9551 4.9659 4.9659 5.2121 5.2121 5.3036 5.3036 5.8055 5.8055 5.8066 5.8066 6.0691 6.0691 6.2908 6.2908 11.6067 11.6067 13.3418 13.3418 13.3694 13.3694 13.6230 13.6230 14.1364 14.1364 14.5053 14.5057 k = 0.3333 0.5774 0.2664 ( 4962 PWs) bands (ev): -18.0721 -18.0721 -18.0721 -18.0721 -15.3041 -15.3041 -15.0458 -15.0458 -11.9860 -11.9860 -11.9720 -11.9720 -11.7240 -11.7240 -11.7239 -11.7239 -4.7264 -4.7264 -4.6521 -4.6521 -2.9775 -2.9775 -2.7658 -2.7658 -2.7454 -2.7454 -2.5058 -2.5058 0.1645 0.1645 0.2633 0.2633 0.3786 0.3786 0.6056 0.6056 0.6190 0.6190 1.3657 1.3657 1.3782 1.3782 1.9877 1.9877 4.4059 4.4059 4.4178 4.4178 4.9756 4.9756 4.9891 4.9891 5.2105 5.2105 5.2990 5.2990 5.7886 5.7886 5.7901 5.7901 6.0752 6.0752 6.2829 6.2829 11.6727 11.6727 13.3340 13.3340 13.3624 13.3624 13.5796 13.5796 14.1240 14.1240 14.4407 14.4407 k = 0.3333 0.5774 0.2830 ( 4962 PWs) bands (ev): -18.0720 -18.0720 -18.0720 -18.0720 -15.2952 -15.2952 -15.0554 -15.0554 -11.9845 -11.9845 -11.9704 -11.9704 -11.7261 -11.7261 -11.7260 -11.7260 -4.7261 -4.7261 -4.6531 -4.6531 -2.9761 -2.9761 -2.7652 -2.7652 -2.7527 -2.7527 -2.5012 -2.5012 0.1689 0.1689 0.2749 0.2749 0.4149 0.4149 0.6127 0.6127 0.6263 0.6263 1.3646 1.3646 1.3769 1.3769 1.9210 1.9210 4.3969 4.3969 4.4090 4.4090 4.9954 4.9954 5.0120 5.0120 5.2093 5.2093 5.2944 5.2944 5.7714 5.7714 5.7734 5.7734 6.0816 6.0816 6.2748 6.2748 11.7420 11.7420 13.3264 13.3264 13.3555 13.3555 13.5314 13.5314 14.1118 14.1118 14.3778 14.3778 k = 0.3333 0.5774 0.2997 ( 4962 PWs) bands (ev): -18.0719 -18.0719 -18.0719 -18.0719 -15.2859 -15.2859 -15.0655 -15.0655 -11.9830 -11.9830 -11.9689 -11.9689 -11.7282 -11.7282 -11.7281 -11.7281 -4.7259 -4.7259 -4.6540 -4.6540 -2.9746 -2.9746 -2.7647 -2.7647 -2.7598 -2.7598 -2.4970 -2.4970 0.1712 0.1712 0.2817 0.2817 0.4607 0.4607 0.6197 0.6197 0.6334 0.6334 1.3635 1.3635 1.3756 1.3756 1.8523 1.8523 4.3886 4.3886 4.4007 4.4007 5.0142 5.0142 5.0347 5.0347 5.2089 5.2089 5.2897 5.2897 5.7542 5.7542 5.7568 5.7568 6.0883 6.0883 6.2664 6.2664 11.8146 11.8146 13.3191 13.3191 13.3489 13.3489 13.4779 13.4779 14.1000 14.1000 14.3192 14.3192 k = 0.3333 0.5774 0.3163 ( 4974 PWs) bands (ev): -18.0718 -18.0718 -18.0718 -18.0718 -15.2762 -15.2762 -15.0758 -15.0758 -11.9816 -11.9816 -11.9674 -11.9674 -11.7302 -11.7302 -11.7301 -11.7301 -4.7256 -4.7256 -4.6548 -4.6548 -2.9730 -2.9730 -2.7665 -2.7665 -2.7643 -2.7643 -2.4932 -2.4932 0.1724 0.1724 0.2855 0.2855 0.5129 0.5129 0.6263 0.6263 0.6404 0.6404 1.3625 1.3625 1.3744 1.3744 1.7818 1.7818 4.3809 4.3809 4.3931 4.3931 5.0316 5.0316 5.0570 5.0570 5.2094 5.2094 5.2849 5.2849 5.7371 5.7371 5.7403 5.7403 6.0952 6.0952 6.2579 6.2579 11.8903 11.8903 13.3123 13.3123 13.3424 13.3424 13.4186 13.4186 14.0888 14.0888 14.2661 14.2661 k = 0.3333 0.5774 0.3330 ( 4968 PWs) bands (ev): -18.0717 -18.0717 -18.0717 -18.0717 -15.2662 -15.2662 -15.0864 -15.0864 -11.9803 -11.9803 -11.9660 -11.9660 -11.7321 -11.7321 -11.7319 -11.7319 -4.7254 -4.7254 -4.6556 -4.6556 -2.9714 -2.9714 -2.7728 -2.7728 -2.7638 -2.7638 -2.4897 -2.4897 0.1730 0.1730 0.2877 0.2877 0.5693 0.5693 0.6325 0.6325 0.6472 0.6472 1.3616 1.3616 1.3733 1.3733 1.7100 1.7100 4.3739 4.3739 4.3862 4.3862 5.0475 5.0475 5.0787 5.0787 5.2108 5.2108 5.2799 5.2799 5.7205 5.7205 5.7244 5.7244 6.1024 6.1024 6.2493 6.2493 11.9690 11.9690 13.3061 13.3061 13.3344 13.3344 13.3552 13.3552 14.0781 14.0781 14.2195 14.2195 k = 0.3333 0.5774 0.3496 ( 4968 PWs) bands (ev): -18.0716 -18.0716 -18.0716 -18.0716 -15.2558 -15.2558 -15.0973 -15.0973 -11.9790 -11.9790 -11.9647 -11.9647 -11.7339 -11.7339 -11.7336 -11.7336 -4.7252 -4.7252 -4.6563 -4.6563 -2.9698 -2.9698 -2.7787 -2.7787 -2.7634 -2.7634 -2.4865 -2.4865 0.1732 0.1732 0.2890 0.2890 0.6265 0.6265 0.6382 0.6382 0.6563 0.6563 1.3607 1.3607 1.3722 1.3722 1.6370 1.6370 4.3677 4.3677 4.3800 4.3800 5.0615 5.0615 5.0997 5.0997 5.2133 5.2133 5.2747 5.2747 5.7044 5.7044 5.7091 5.7091 6.1098 6.1098 6.2405 6.2405 12.0503 12.0503 13.2796 13.2796 13.3004 13.3004 13.3331 13.3331 14.0681 14.0681 14.1797 14.1797 k = 0.3333 0.5774 0.3662 ( 4968 PWs) bands (ev): -18.0716 -18.0716 -18.0716 -18.0716 -15.2453 -15.2453 -15.1084 -15.1084 -11.9779 -11.9779 -11.9635 -11.9635 -11.7355 -11.7355 -11.7352 -11.7352 -4.7250 -4.7250 -4.6570 -4.6570 -2.9682 -2.9682 -2.7840 -2.7840 -2.7630 -2.7630 -2.4838 -2.4838 0.1733 0.1733 0.2897 0.2897 0.6433 0.6433 0.6535 0.6535 0.6979 0.6979 1.3599 1.3599 1.3713 1.3713 1.5631 1.5631 4.3621 4.3621 4.3745 4.3745 5.0734 5.0734 5.1198 5.1198 5.2167 5.2167 5.2692 5.2692 5.6893 5.6893 5.6948 5.6948 6.1174 6.1174 6.2318 6.2318 12.1341 12.1341 13.2031 13.2031 13.2953 13.2953 13.3279 13.3279 14.0591 14.0591 14.1467 14.1467 k = 0.3333 0.5774 0.3829 ( 4977 PWs) bands (ev): -18.0715 -18.0715 -18.0715 -18.0715 -15.2344 -15.2344 -15.1197 -15.1197 -11.9769 -11.9769 -11.9625 -11.9625 -11.7369 -11.7369 -11.7365 -11.7365 -4.7248 -4.7248 -4.6575 -4.6575 -2.9667 -2.9667 -2.7887 -2.7887 -2.7627 -2.7627 -2.4815 -2.4815 0.1732 0.1732 0.2901 0.2901 0.6478 0.6478 0.6597 0.6597 0.7619 0.7619 1.3593 1.3593 1.3705 1.3705 1.4886 1.4886 4.3574 4.3574 4.3699 4.3699 5.0830 5.0830 5.1389 5.1389 5.2210 5.2210 5.2634 5.2634 5.6756 5.6756 5.6819 5.6819 6.1250 6.1250 6.2231 6.2231 12.2201 12.2201 13.1215 13.1215 13.2909 13.2909 13.3237 13.3237 14.0510 14.0510 14.1202 14.1202 k = 0.3333 0.5774 0.3995 ( 4953 PWs) bands (ev): -18.0714 -18.0714 -18.0714 -18.0714 -15.2234 -15.2234 -15.1311 -15.1311 -11.9761 -11.9761 -11.9616 -11.9616 -11.7381 -11.7381 -11.7377 -11.7377 -4.7247 -4.7247 -4.6580 -4.6580 -2.9653 -2.9653 -2.7926 -2.7926 -2.7625 -2.7625 -2.4796 -2.4796 0.1731 0.1731 0.2903 0.2903 0.6515 0.6515 0.6640 0.6640 0.8292 0.8292 1.3587 1.3587 1.3698 1.3698 1.4137 1.4137 4.3535 4.3535 4.3660 4.3660 5.0905 5.0905 5.1566 5.1566 5.2257 5.2257 5.2570 5.2570 5.6635 5.6635 5.6707 5.6707 6.1326 6.1326 6.2147 6.2147 12.3082 12.3082 13.0361 13.0361 13.2873 13.2873 13.3202 13.3202 14.0440 14.0440 14.0997 14.0997 k = 0.3333 0.5774 0.4162 ( 4956 PWs) bands (ev): -18.0714 -18.0714 -18.0714 -18.0714 -15.2121 -15.2121 -15.1426 -15.1426 -11.9754 -11.9754 -11.9609 -11.9609 -11.7390 -11.7390 -11.7386 -11.7386 -4.7246 -4.7246 -4.6584 -4.6584 -2.9642 -2.9642 -2.7958 -2.7958 -2.7623 -2.7623 -2.4781 -2.4781 0.1730 0.1730 0.2904 0.2904 0.6545 0.6545 0.6672 0.6672 0.8985 0.8985 1.3387 1.3387 1.3582 1.3582 1.3693 1.3693 4.3504 4.3504 4.3630 4.3630 5.0960 5.0960 5.1728 5.1728 5.2303 5.2303 5.2502 5.2502 5.6535 5.6535 5.6615 5.6615 6.1399 6.1399 6.2067 6.2067 12.3978 12.3978 12.9477 12.9477 13.2844 13.2844 13.3175 13.3175 14.0382 14.0382 14.0845 14.0845 k = 0.3333 0.5774 0.4328 ( 4953 PWs) bands (ev): -18.0714 -18.0714 -18.0714 -18.0714 -15.2008 -15.2008 -15.1542 -15.1542 -11.9750 -11.9750 -11.9604 -11.9604 -11.7397 -11.7397 -11.7392 -11.7392 -4.7245 -4.7245 -4.6586 -4.6586 -2.9634 -2.9634 -2.7981 -2.7981 -2.7621 -2.7621 -2.4770 -2.4770 0.1729 0.1729 0.2905 0.2905 0.6566 0.6566 0.6694 0.6694 0.9693 0.9693 1.2638 1.2638 1.3579 1.3579 1.3689 1.3689 4.3482 4.3482 4.3608 4.3608 5.0996 5.0996 5.1869 5.1869 5.2341 5.2341 5.2430 5.2430 5.6460 5.6460 5.6547 5.6547 6.1465 6.1465 6.1996 6.1996 12.4888 12.4888 12.8573 12.8573 13.2824 13.2824 13.3155 13.3155 14.0339 14.0339 14.0742 14.0742 k = 0.3333 0.5774 0.4495 ( 4947 PWs) bands (ev): -18.0714 -18.0714 -18.0714 -18.0714 -15.1894 -15.1894 -15.1657 -15.1657 -11.9747 -11.9747 -11.9601 -11.9601 -11.7401 -11.7401 -11.7396 -11.7396 -4.7245 -4.7245 -4.6588 -4.6588 -2.9628 -2.9628 -2.7996 -2.7996 -2.7620 -2.7620 -2.4763 -2.4763 0.1729 0.1729 0.2905 0.2905 0.6580 0.6580 0.6708 0.6708 1.0413 1.0413 1.1893 1.1893 1.3577 1.3577 1.3686 1.3686 4.3469 4.3469 4.3595 4.3595 5.1018 5.1018 5.1980 5.1980 5.2362 5.2362 5.2367 5.2367 5.6414 5.6414 5.6504 5.6504 6.1516 6.1516 6.1942 6.1942 12.5807 12.5807 12.7655 12.7655 13.2811 13.2811 13.3144 13.3144 14.0312 14.0312 14.0682 14.0682 k = 0.3333 0.5774 0.4661 ( 4938 PWs) bands (ev): -18.0714 -18.0714 -18.0713 -18.0713 -15.1801 -15.1801 -15.1751 -15.1751 -11.9746 -11.9746 -11.9600 -11.9600 -11.7402 -11.7402 -11.7397 -11.7397 -4.7245 -4.7245 -4.6588 -4.6588 -2.9626 -2.9626 -2.8000 -2.8000 -2.7620 -2.7620 -2.4761 -2.4761 0.1729 0.1729 0.2905 0.2905 0.6584 0.6584 0.6712 0.6712 1.1077 1.1077 1.1222 1.1222 1.3576 1.3576 1.3686 1.3686 4.3464 4.3464 4.3590 4.3590 5.1024 5.1024 5.2027 5.2027 5.2329 5.2329 5.2376 5.2376 5.6398 5.6398 5.6490 5.6490 6.1536 6.1536 6.1921 6.1921 12.6727 12.6727 12.6736 12.6736 13.2807 13.2807 13.3140 13.3140 14.0303 14.0303 14.0663 14.0663 Writing output data file BaCO3.save init_run : 0.30s CPU 0.48s WALL ( 1 calls) electrons : 372.35s CPU 378.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 372.34s CPU 378.21s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.09s WALL ( 283 calls) cegterg : 355.86s CPU 359.91s WALL ( 711 calls) Called by sum_band: Called by *egterg: h_psi : 175.12s CPU 177.63s WALL ( 12801 calls) s_psi : 10.53s CPU 10.78s WALL ( 12801 calls) g_psi : 0.52s CPU 0.50s WALL ( 11807 calls) cdiaghg : 141.33s CPU 142.46s WALL ( 12090 calls) cegterg:over : 15.92s CPU 15.92s WALL ( 11807 calls) cegterg:upda : 13.82s CPU 14.09s WALL ( 11807 calls) cegterg:last : 6.89s CPU 6.86s WALL ( 1560 calls) cdiaghg:chol : 8.09s CPU 8.20s WALL ( 12090 calls) cdiaghg:inve : 5.78s CPU 5.88s WALL ( 12090 calls) cdiaghg:para : 9.86s CPU 10.17s WALL ( 24180 calls) Called by h_psi: h_psi:vloc : 149.24s CPU 152.00s WALL ( 12801 calls) h_psi:vnl : 25.33s CPU 25.12s WALL ( 12801 calls) add_vuspsi : 12.92s CPU 12.69s WALL ( 12801 calls) General routines calbec : 12.36s CPU 12.39s WALL ( 12801 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 139.22s CPU 141.77s WALL ( 1387720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.27s WALL ( 566 calls) Parallel routines fft_scatter : 45.43s CPU 46.27s WALL ( 1387743 calls) PWSCF : 6m33.18s CPU 7m 3.65s WALL This run was terminated on: 16:39:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=