Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:25 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: ./O2.save/ 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 14 8 2 684 298 48 Max 15 9 3 697 313 63 Sum 517 301 91 24743 10975 1993 bravais-lattice index = 14 lattice parameter (alat) = 4.8396 a.u. unit-cell volume = 252.0241 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.839588 celldm(2)= 1.000000 celldm(3)= 2.567357 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 2.567357 ) 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 0.389506 ) PseudoPot. # 1 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 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 ) ( -1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( -1.2836783 ) 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 ) ( -1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( -1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( 1.2836783 ) 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 ) ( -1.2836783 ) 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 ) ( -1.2836783 ) 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= 469 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 2) = ( 0.0070422 0.0040658 -0.0000000), wk = 0.0021322 k( 3) = ( 0.0140845 0.0081317 -0.0000000), wk = 0.0021322 k( 4) = ( 0.0211268 0.0121975 -0.0000000), wk = 0.0021322 k( 5) = ( 0.0281690 0.0162634 -0.0000000), wk = 0.0021322 k( 6) = ( 0.0352113 0.0203292 -0.0000000), wk = 0.0021322 k( 7) = ( 0.0422535 0.0243951 -0.0000000), wk = 0.0021322 k( 8) = ( 0.0492958 0.0284609 -0.0000000), wk = 0.0021322 k( 9) = ( 0.0563380 0.0325268 -0.0000000), wk = 0.0021322 k( 10) = ( 0.0633803 0.0365926 -0.0000000), wk = 0.0021322 k( 11) = ( 0.0704225 0.0406585 -0.0000000), wk = 0.0021322 k( 12) = ( 0.0774648 0.0447243 -0.0000000), wk = 0.0021322 k( 13) = ( 0.0845070 0.0487902 -0.0000000), wk = 0.0021322 k( 14) = ( 0.0915493 0.0528560 -0.0000000), wk = 0.0021322 k( 15) = ( 0.0985916 0.0569219 -0.0000000), wk = 0.0021322 k( 16) = ( 0.1056338 0.0609877 -0.0000000), wk = 0.0021322 k( 17) = ( 0.1126761 0.0650536 -0.0000000), wk = 0.0021322 k( 18) = ( 0.1197183 0.0691194 -0.0000000), wk = 0.0021322 k( 19) = ( 0.1267606 0.0731852 -0.0000000), wk = 0.0021322 k( 20) = ( 0.1338028 0.0772511 -0.0000000), wk = 0.0021322 k( 21) = ( 0.1408451 0.0813169 -0.0000000), wk = 0.0021322 k( 22) = ( 0.1478873 0.0853828 -0.0000000), wk = 0.0021322 k( 23) = ( 0.1549296 0.0894486 -0.0000000), wk = 0.0021322 k( 24) = ( 0.1619718 0.0935145 -0.0000000), wk = 0.0021322 k( 25) = ( 0.1690141 0.0975803 -0.0000000), wk = 0.0021322 k( 26) = ( 0.1760563 0.1016462 -0.0000000), wk = 0.0021322 k( 27) = ( 0.1830986 0.1057120 -0.0000000), wk = 0.0021322 k( 28) = ( 0.1901409 0.1097779 -0.0000000), wk = 0.0021322 k( 29) = ( 0.1971831 0.1138437 -0.0000000), wk = 0.0021322 k( 30) = ( 0.2042253 0.1179096 -0.0000000), wk = 0.0021322 k( 31) = ( 0.2112676 0.1219754 -0.0000000), wk = 0.0021322 k( 32) = ( 0.2183099 0.1260413 -0.0000000), wk = 0.0021322 k( 33) = ( 0.2253521 0.1301071 -0.0000000), wk = 0.0021322 k( 34) = ( 0.2323944 0.1341730 -0.0000000), wk = 0.0021322 k( 35) = ( 0.2394366 0.1382388 -0.0000000), wk = 0.0021322 k( 36) = ( 0.2464789 0.1423046 -0.0000000), wk = 0.0021322 k( 37) = ( 0.2535211 0.1463705 -0.0000000), wk = 0.0021322 k( 38) = ( 0.2605634 0.1504363 -0.0000000), wk = 0.0021322 k( 39) = ( 0.2676056 0.1545022 -0.0000000), wk = 0.0021322 k( 40) = ( 0.2746479 0.1585680 -0.0000000), wk = 0.0021322 k( 41) = ( 0.2816901 0.1626339 -0.0000000), wk = 0.0021322 k( 42) = ( 0.2887324 0.1666997 -0.0000000), wk = 0.0021322 k( 43) = ( 0.2957746 0.1707656 -0.0000000), wk = 0.0021322 k( 44) = ( 0.3028169 0.1748314 -0.0000000), wk = 0.0021322 k( 45) = ( 0.3098592 0.1788973 -0.0000000), wk = 0.0021322 k( 46) = ( 0.3169014 0.1829631 -0.0000000), wk = 0.0021322 k( 47) = ( 0.3239437 0.1870290 -0.0000000), wk = 0.0021322 k( 48) = ( 0.3309859 0.1910948 -0.0000000), wk = 0.0021322 k( 49) = ( 0.3380282 0.1951607 -0.0000000), wk = 0.0021322 k( 50) = ( 0.3450704 0.1992265 -0.0000000), wk = 0.0021322 k( 51) = ( 0.3521127 0.2032924 -0.0000000), wk = 0.0021322 k( 52) = ( 0.3591549 0.2073582 -0.0000000), wk = 0.0021322 k( 53) = ( 0.3661972 0.2114240 -0.0000000), wk = 0.0021322 k( 54) = ( 0.3732394 0.2154899 -0.0000000), wk = 0.0021322 k( 55) = ( 0.3802817 0.2195557 -0.0000000), wk = 0.0021322 k( 56) = ( 0.3873239 0.2236216 -0.0000000), wk = 0.0021322 k( 57) = ( 0.3943662 0.2276874 -0.0000000), wk = 0.0021322 k( 58) = ( 0.4014085 0.2317533 -0.0000000), wk = 0.0021322 k( 59) = ( 0.4084507 0.2358191 -0.0000000), wk = 0.0021322 k( 60) = ( 0.4154930 0.2398850 -0.0000000), wk = 0.0021322 k( 61) = ( 0.4225352 0.2439508 -0.0000000), wk = 0.0021322 k( 62) = ( 0.4295775 0.2480167 -0.0000000), wk = 0.0021322 k( 63) = ( 0.4366197 0.2520825 -0.0000000), wk = 0.0021322 k( 64) = ( 0.4436620 0.2561484 -0.0000000), wk = 0.0021322 k( 65) = ( 0.4507042 0.2602142 -0.0000000), wk = 0.0021322 k( 66) = ( 0.4577465 0.2642801 -0.0000000), wk = 0.0021322 k( 67) = ( 0.4647887 0.2683459 -0.0000000), wk = 0.0021322 k( 68) = ( 0.4718310 0.2724117 -0.0000000), wk = 0.0021322 k( 69) = ( 0.4788732 0.2764776 -0.0000000), wk = 0.0021322 k( 70) = ( 0.4859155 0.2805434 -0.0000000), wk = 0.0021322 k( 71) = ( 0.4929577 0.2846093 -0.0000000), wk = 0.0021322 k( 72) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021322 k( 73) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021322 k( 74) = ( 0.4959350 0.2957160 -0.0000000), wk = 0.0021322 k( 75) = ( 0.4918699 0.3027568 -0.0000000), wk = 0.0021322 k( 76) = ( 0.4878049 0.3097977 -0.0000000), wk = 0.0021322 k( 77) = ( 0.4837398 0.3168386 -0.0000000), wk = 0.0021322 k( 78) = ( 0.4796748 0.3238794 -0.0000000), wk = 0.0021322 k( 79) = ( 0.4756098 0.3309203 -0.0000000), wk = 0.0021322 k( 80) = ( 0.4715447 0.3379611 -0.0000000), wk = 0.0021322 k( 81) = ( 0.4674797 0.3450020 -0.0000000), wk = 0.0021322 k( 82) = ( 0.4634146 0.3520428 -0.0000000), wk = 0.0021322 k( 83) = ( 0.4593496 0.3590837 -0.0000000), wk = 0.0021322 k( 84) = ( 0.4552846 0.3661246 -0.0000000), wk = 0.0021322 k( 85) = ( 0.4512195 0.3731654 -0.0000000), wk = 0.0021322 k( 86) = ( 0.4471545 0.3802063 -0.0000000), wk = 0.0021322 k( 87) = ( 0.4430894 0.3872471 -0.0000000), wk = 0.0021322 k( 88) = ( 0.4390244 0.3942880 -0.0000000), wk = 0.0021322 k( 89) = ( 0.4349594 0.4013288 -0.0000000), wk = 0.0021322 k( 90) = ( 0.4308943 0.4083697 -0.0000000), wk = 0.0021322 k( 91) = ( 0.4268293 0.4154106 -0.0000000), wk = 0.0021322 k( 92) = ( 0.4227642 0.4224514 -0.0000000), wk = 0.0021322 k( 93) = ( 0.4186992 0.4294923 -0.0000000), wk = 0.0021322 k( 94) = ( 0.4146341 0.4365331 -0.0000000), wk = 0.0021322 k( 95) = ( 0.4105691 0.4435740 -0.0000000), wk = 0.0021322 k( 96) = ( 0.4065041 0.4506148 -0.0000000), wk = 0.0021322 k( 97) = ( 0.4024390 0.4576557 -0.0000000), wk = 0.0021322 k( 98) = ( 0.3983740 0.4646966 -0.0000000), wk = 0.0021322 k( 99) = ( 0.3943089 0.4717374 -0.0000000), wk = 0.0021322 k( 100) = ( 0.3902439 0.4787783 -0.0000000), wk = 0.0021322 k( 101) = ( 0.3861789 0.4858191 -0.0000000), wk = 0.0021322 k( 102) = ( 0.3821138 0.4928600 -0.0000000), wk = 0.0021322 k( 103) = ( 0.3780488 0.4999008 -0.0000000), wk = 0.0021322 k( 104) = ( 0.3739837 0.5069417 -0.0000000), wk = 0.0021322 k( 105) = ( 0.3699187 0.5139826 -0.0000000), wk = 0.0021322 k( 106) = ( 0.3658537 0.5210234 -0.0000000), wk = 0.0021322 k( 107) = ( 0.3617886 0.5280643 -0.0000000), wk = 0.0021322 k( 108) = ( 0.3577236 0.5351051 -0.0000000), wk = 0.0021322 k( 109) = ( 0.3536585 0.5421460 -0.0000000), wk = 0.0021322 k( 110) = ( 0.3495935 0.5491868 -0.0000000), wk = 0.0021322 k( 111) = ( 0.3455285 0.5562277 -0.0000000), wk = 0.0021322 k( 112) = ( 0.3414634 0.5632686 -0.0000000), wk = 0.0021322 k( 113) = ( 0.3373984 0.5703094 -0.0000000), wk = 0.0021322 k( 114) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021322 k( 115) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021322 k( 116) = ( 0.3292683 0.5703094 -0.0000000), wk = 0.0021322 k( 117) = ( 0.3252032 0.5632686 -0.0000000), wk = 0.0021322 k( 118) = ( 0.3211382 0.5562277 -0.0000000), wk = 0.0021322 k( 119) = ( 0.3170732 0.5491868 -0.0000000), wk = 0.0021322 k( 120) = ( 0.3130081 0.5421460 -0.0000000), wk = 0.0021322 k( 121) = ( 0.3089431 0.5351051 -0.0000000), wk = 0.0021322 k( 122) = ( 0.3048781 0.5280643 -0.0000000), wk = 0.0021322 k( 123) = ( 0.3008130 0.5210234 -0.0000000), wk = 0.0021322 k( 124) = ( 0.2967480 0.5139826 -0.0000000), wk = 0.0021322 k( 125) = ( 0.2926829 0.5069417 -0.0000000), wk = 0.0021322 k( 126) = ( 0.2886179 0.4999008 -0.0000000), wk = 0.0021322 k( 127) = ( 0.2845529 0.4928600 -0.0000000), wk = 0.0021322 k( 128) = ( 0.2804878 0.4858191 -0.0000000), wk = 0.0021322 k( 129) = ( 0.2764228 0.4787783 -0.0000000), wk = 0.0021322 k( 130) = ( 0.2723577 0.4717374 -0.0000000), wk = 0.0021322 k( 131) = ( 0.2682927 0.4646966 -0.0000000), wk = 0.0021322 k( 132) = ( 0.2642276 0.4576557 -0.0000000), wk = 0.0021322 k( 133) = ( 0.2601626 0.4506148 -0.0000000), wk = 0.0021322 k( 134) = ( 0.2560976 0.4435740 -0.0000000), wk = 0.0021322 k( 135) = ( 0.2520325 0.4365331 -0.0000000), wk = 0.0021322 k( 136) = ( 0.2479675 0.4294923 -0.0000000), wk = 0.0021322 k( 137) = ( 0.2439024 0.4224514 -0.0000000), wk = 0.0021322 k( 138) = ( 0.2398374 0.4154106 -0.0000000), wk = 0.0021322 k( 139) = ( 0.2357724 0.4083697 -0.0000000), wk = 0.0021322 k( 140) = ( 0.2317073 0.4013289 -0.0000000), wk = 0.0021322 k( 141) = ( 0.2276423 0.3942880 -0.0000000), wk = 0.0021322 k( 142) = ( 0.2235772 0.3872471 -0.0000000), wk = 0.0021322 k( 143) = ( 0.2195122 0.3802063 -0.0000000), wk = 0.0021322 k( 144) = ( 0.2154472 0.3731654 -0.0000000), wk = 0.0021322 k( 145) = ( 0.2113821 0.3661246 -0.0000000), wk = 0.0021322 k( 146) = ( 0.2073171 0.3590837 -0.0000000), wk = 0.0021322 k( 147) = ( 0.2032520 0.3520428 -0.0000000), wk = 0.0021322 k( 148) = ( 0.1991870 0.3450020 -0.0000000), wk = 0.0021322 k( 149) = ( 0.1951219 0.3379611 -0.0000000), wk = 0.0021322 k( 150) = ( 0.1910569 0.3309203 -0.0000000), wk = 0.0021322 k( 151) = ( 0.1869919 0.3238794 -0.0000000), wk = 0.0021322 k( 152) = ( 0.1829268 0.3168386 -0.0000000), wk = 0.0021322 k( 153) = ( 0.1788618 0.3097977 -0.0000000), wk = 0.0021322 k( 154) = ( 0.1747968 0.3027569 -0.0000000), wk = 0.0021322 k( 155) = ( 0.1707317 0.2957160 -0.0000000), wk = 0.0021322 k( 156) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021322 k( 157) = ( 0.1626016 0.2816343 -0.0000000), wk = 0.0021322 k( 158) = ( 0.1585366 0.2745934 -0.0000000), wk = 0.0021322 k( 159) = ( 0.1544715 0.2675526 -0.0000000), wk = 0.0021322 k( 160) = ( 0.1504065 0.2605117 -0.0000000), wk = 0.0021322 k( 161) = ( 0.1463415 0.2534708 -0.0000000), wk = 0.0021322 k( 162) = ( 0.1422764 0.2464300 -0.0000000), wk = 0.0021322 k( 163) = ( 0.1382114 0.2393891 -0.0000000), wk = 0.0021322 k( 164) = ( 0.1341463 0.2323483 -0.0000000), wk = 0.0021322 k( 165) = ( 0.1300813 0.2253074 -0.0000000), wk = 0.0021322 k( 166) = ( 0.1260163 0.2182666 -0.0000000), wk = 0.0021322 k( 167) = ( 0.1219512 0.2112257 -0.0000000), wk = 0.0021322 k( 168) = ( 0.1178862 0.2041849 -0.0000000), wk = 0.0021322 k( 169) = ( 0.1138211 0.1971440 -0.0000000), wk = 0.0021322 k( 170) = ( 0.1097561 0.1901031 -0.0000000), wk = 0.0021322 k( 171) = ( 0.1056911 0.1830623 -0.0000000), wk = 0.0021322 k( 172) = ( 0.1016260 0.1760214 -0.0000000), wk = 0.0021322 k( 173) = ( 0.0975610 0.1689806 -0.0000000), wk = 0.0021322 k( 174) = ( 0.0934959 0.1619397 -0.0000000), wk = 0.0021322 k( 175) = ( 0.0894309 0.1548988 -0.0000000), wk = 0.0021322 k( 176) = ( 0.0853658 0.1478580 -0.0000000), wk = 0.0021322 k( 177) = ( 0.0813008 0.1408171 -0.0000000), wk = 0.0021322 k( 178) = ( 0.0772358 0.1337763 -0.0000000), wk = 0.0021322 k( 179) = ( 0.0731707 0.1267354 -0.0000000), wk = 0.0021322 k( 180) = ( 0.0691057 0.1196946 -0.0000000), wk = 0.0021322 k( 181) = ( 0.0650407 0.1126537 -0.0000000), wk = 0.0021322 k( 182) = ( 0.0609756 0.1056129 -0.0000000), wk = 0.0021322 k( 183) = ( 0.0569106 0.0985720 -0.0000000), wk = 0.0021322 k( 184) = ( 0.0528455 0.0915311 -0.0000000), wk = 0.0021322 k( 185) = ( 0.0487805 0.0844903 -0.0000000), wk = 0.0021322 k( 186) = ( 0.0447154 0.0774494 -0.0000000), wk = 0.0021322 k( 187) = ( 0.0406504 0.0704086 -0.0000000), wk = 0.0021322 k( 188) = ( 0.0365854 0.0633677 -0.0000000), wk = 0.0021322 k( 189) = ( 0.0325203 0.0563269 -0.0000000), wk = 0.0021322 k( 190) = ( 0.0284553 0.0492860 -0.0000000), wk = 0.0021322 k( 191) = ( 0.0243902 0.0422451 -0.0000000), wk = 0.0021322 k( 192) = ( 0.0203252 0.0352043 -0.0000000), wk = 0.0021322 k( 193) = ( 0.0162602 0.0281634 -0.0000000), wk = 0.0021322 k( 194) = ( 0.0121951 0.0211226 -0.0000000), wk = 0.0021322 k( 195) = ( 0.0081301 0.0140817 -0.0000000), wk = 0.0021322 k( 196) = ( 0.0040650 0.0070409 -0.0000000), wk = 0.0021322 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 199) = ( 0.0000000 0.0000000 0.0081147), wk = 0.0021322 k( 200) = ( 0.0000000 0.0000000 0.0162294), wk = 0.0021322 k( 201) = ( 0.0000000 0.0000000 0.0243441), wk = 0.0021322 k( 202) = ( 0.0000000 0.0000000 0.0324588), wk = 0.0021322 k( 203) = ( 0.0000000 0.0000000 0.0405735), wk = 0.0021322 k( 204) = ( 0.0000000 0.0000000 0.0486882), wk = 0.0021322 k( 205) = ( 0.0000000 0.0000000 0.0568029), wk = 0.0021322 k( 206) = ( 0.0000000 0.0000000 0.0649176), wk = 0.0021322 k( 207) = ( 0.0000000 0.0000000 0.0730323), wk = 0.0021322 k( 208) = ( 0.0000000 0.0000000 0.0811470), wk = 0.0021322 k( 209) = ( 0.0000000 0.0000000 0.0892617), wk = 0.0021322 k( 210) = ( 0.0000000 0.0000000 0.0973764), wk = 0.0021322 k( 211) = ( 0.0000000 0.0000000 0.1054911), wk = 0.0021322 k( 212) = ( 0.0000000 0.0000000 0.1136058), wk = 0.0021322 k( 213) = ( 0.0000000 0.0000000 0.1217205), wk = 0.0021322 k( 214) = ( 0.0000000 0.0000000 0.1298352), wk = 0.0021322 k( 215) = ( 0.0000000 0.0000000 0.1379499), wk = 0.0021322 k( 216) = ( 0.0000000 0.0000000 0.1460646), wk = 0.0021322 k( 217) = ( 0.0000000 0.0000000 0.1541793), wk = 0.0021322 k( 218) = ( 0.0000000 0.0000000 0.1622940), wk = 0.0021322 k( 219) = ( 0.0000000 0.0000000 0.1704087), wk = 0.0021322 k( 220) = ( 0.0000000 0.0000000 0.1785234), wk = 0.0021322 k( 221) = ( 0.0000000 0.0000000 0.1866382), wk = 0.0021322 k( 222) = ( 0.0000000 0.0000000 0.1947529), wk = 0.0021322 k( 223) = ( 0.0000000 0.0000000 0.1947529), wk = 0.0021322 k( 224) = ( 0.0070422 0.0040658 0.1947529), wk = 0.0021322 k( 225) = ( 0.0140845 0.0081317 0.1947529), wk = 0.0021322 k( 226) = ( 0.0211268 0.0121975 0.1947529), wk = 0.0021322 k( 227) = ( 0.0281690 0.0162634 0.1947529), wk = 0.0021322 k( 228) = ( 0.0352113 0.0203292 0.1947529), wk = 0.0021322 k( 229) = ( 0.0422535 0.0243951 0.1947529), wk = 0.0021322 k( 230) = ( 0.0492958 0.0284609 0.1947529), wk = 0.0021322 k( 231) = ( 0.0563380 0.0325268 0.1947529), wk = 0.0021322 k( 232) = ( 0.0633803 0.0365926 0.1947529), wk = 0.0021322 k( 233) = ( 0.0704225 0.0406585 0.1947529), wk = 0.0021322 k( 234) = ( 0.0774648 0.0447243 0.1947529), wk = 0.0021322 k( 235) = ( 0.0845070 0.0487902 0.1947529), wk = 0.0021322 k( 236) = ( 0.0915493 0.0528560 0.1947529), wk = 0.0021322 k( 237) = ( 0.0985916 0.0569219 0.1947529), wk = 0.0021322 k( 238) = ( 0.1056338 0.0609877 0.1947529), wk = 0.0021322 k( 239) = ( 0.1126761 0.0650536 0.1947529), wk = 0.0021322 k( 240) = ( 0.1197183 0.0691194 0.1947529), wk = 0.0021322 k( 241) = ( 0.1267606 0.0731852 0.1947529), wk = 0.0021322 k( 242) = ( 0.1338028 0.0772511 0.1947529), wk = 0.0021322 k( 243) = ( 0.1408451 0.0813169 0.1947529), wk = 0.0021322 k( 244) = ( 0.1478873 0.0853828 0.1947529), wk = 0.0021322 k( 245) = ( 0.1549296 0.0894486 0.1947529), wk = 0.0021322 k( 246) = ( 0.1619718 0.0935145 0.1947529), wk = 0.0021322 k( 247) = ( 0.1690141 0.0975803 0.1947529), wk = 0.0021322 k( 248) = ( 0.1760563 0.1016462 0.1947529), wk = 0.0021322 k( 249) = ( 0.1830986 0.1057120 0.1947529), wk = 0.0021322 k( 250) = ( 0.1901409 0.1097779 0.1947529), wk = 0.0021322 k( 251) = ( 0.1971831 0.1138437 0.1947529), wk = 0.0021322 k( 252) = ( 0.2042253 0.1179096 0.1947529), wk = 0.0021322 k( 253) = ( 0.2112676 0.1219754 0.1947529), wk = 0.0021322 k( 254) = ( 0.2183099 0.1260413 0.1947529), wk = 0.0021322 k( 255) = ( 0.2253521 0.1301071 0.1947529), wk = 0.0021322 k( 256) = ( 0.2323944 0.1341730 0.1947529), wk = 0.0021322 k( 257) = ( 0.2394366 0.1382388 0.1947529), wk = 0.0021322 k( 258) = ( 0.2464789 0.1423046 0.1947529), wk = 0.0021322 k( 259) = ( 0.2535211 0.1463705 0.1947529), wk = 0.0021322 k( 260) = ( 0.2605634 0.1504363 0.1947529), wk = 0.0021322 k( 261) = ( 0.2676056 0.1545022 0.1947529), wk = 0.0021322 k( 262) = ( 0.2746479 0.1585680 0.1947529), wk = 0.0021322 k( 263) = ( 0.2816901 0.1626339 0.1947529), wk = 0.0021322 k( 264) = ( 0.2887324 0.1666997 0.1947529), wk = 0.0021322 k( 265) = ( 0.2957746 0.1707656 0.1947529), wk = 0.0021322 k( 266) = ( 0.3028169 0.1748314 0.1947529), wk = 0.0021322 k( 267) = ( 0.3098592 0.1788973 0.1947529), wk = 0.0021322 k( 268) = ( 0.3169014 0.1829631 0.1947529), wk = 0.0021322 k( 269) = ( 0.3239437 0.1870290 0.1947529), wk = 0.0021322 k( 270) = ( 0.3309859 0.1910948 0.1947529), wk = 0.0021322 k( 271) = ( 0.3380282 0.1951607 0.1947529), wk = 0.0021322 k( 272) = ( 0.3450704 0.1992265 0.1947529), wk = 0.0021322 k( 273) = ( 0.3521127 0.2032924 0.1947529), wk = 0.0021322 k( 274) = ( 0.3591549 0.2073582 0.1947529), wk = 0.0021322 k( 275) = ( 0.3661972 0.2114240 0.1947529), wk = 0.0021322 k( 276) = ( 0.3732394 0.2154899 0.1947529), wk = 0.0021322 k( 277) = ( 0.3802817 0.2195557 0.1947529), wk = 0.0021322 k( 278) = ( 0.3873239 0.2236216 0.1947529), wk = 0.0021322 k( 279) = ( 0.3943662 0.2276874 0.1947529), wk = 0.0021322 k( 280) = ( 0.4014085 0.2317533 0.1947529), wk = 0.0021322 k( 281) = ( 0.4084507 0.2358191 0.1947529), wk = 0.0021322 k( 282) = ( 0.4154930 0.2398850 0.1947529), wk = 0.0021322 k( 283) = ( 0.4225352 0.2439508 0.1947529), wk = 0.0021322 k( 284) = ( 0.4295775 0.2480167 0.1947529), wk = 0.0021322 k( 285) = ( 0.4366197 0.2520825 0.1947529), wk = 0.0021322 k( 286) = ( 0.4436620 0.2561484 0.1947529), wk = 0.0021322 k( 287) = ( 0.4507042 0.2602142 0.1947529), wk = 0.0021322 k( 288) = ( 0.4577465 0.2642801 0.1947529), wk = 0.0021322 k( 289) = ( 0.4647887 0.2683459 0.1947529), wk = 0.0021322 k( 290) = ( 0.4718310 0.2724117 0.1947529), wk = 0.0021322 k( 291) = ( 0.4788732 0.2764776 0.1947529), wk = 0.0021322 k( 292) = ( 0.4859155 0.2805434 0.1947529), wk = 0.0021322 k( 293) = ( 0.4929577 0.2846093 0.1947529), wk = 0.0021322 k( 294) = ( 0.5000000 0.2886751 0.1947529), wk = 0.0021322 k( 295) = ( 0.5000000 0.2886751 0.1947529), wk = 0.0021322 k( 296) = ( 0.4959350 0.2957160 0.1947529), wk = 0.0021322 k( 297) = ( 0.4918699 0.3027568 0.1947529), wk = 0.0021322 k( 298) = ( 0.4878049 0.3097977 0.1947529), wk = 0.0021322 k( 299) = ( 0.4837398 0.3168386 0.1947529), wk = 0.0021322 k( 300) = ( 0.4796748 0.3238794 0.1947529), wk = 0.0021322 k( 301) = ( 0.4756098 0.3309203 0.1947529), wk = 0.0021322 k( 302) = ( 0.4715447 0.3379611 0.1947529), wk = 0.0021322 k( 303) = ( 0.4674797 0.3450020 0.1947529), wk = 0.0021322 k( 304) = ( 0.4634146 0.3520428 0.1947529), wk = 0.0021322 k( 305) = ( 0.4593496 0.3590837 0.1947529), wk = 0.0021322 k( 306) = ( 0.4552846 0.3661246 0.1947529), wk = 0.0021322 k( 307) = ( 0.4512195 0.3731654 0.1947529), wk = 0.0021322 k( 308) = ( 0.4471545 0.3802063 0.1947529), wk = 0.0021322 k( 309) = ( 0.4430894 0.3872471 0.1947529), wk = 0.0021322 k( 310) = ( 0.4390244 0.3942880 0.1947529), wk = 0.0021322 k( 311) = ( 0.4349594 0.4013288 0.1947529), wk = 0.0021322 k( 312) = ( 0.4308943 0.4083697 0.1947529), wk = 0.0021322 k( 313) = ( 0.4268293 0.4154106 0.1947529), wk = 0.0021322 k( 314) = ( 0.4227642 0.4224514 0.1947529), wk = 0.0021322 k( 315) = ( 0.4186992 0.4294923 0.1947529), wk = 0.0021322 k( 316) = ( 0.4146341 0.4365331 0.1947529), wk = 0.0021322 k( 317) = ( 0.4105691 0.4435740 0.1947529), wk = 0.0021322 k( 318) = ( 0.4065041 0.4506148 0.1947529), wk = 0.0021322 k( 319) = ( 0.4024390 0.4576557 0.1947529), wk = 0.0021322 k( 320) = ( 0.3983740 0.4646966 0.1947529), wk = 0.0021322 k( 321) = ( 0.3943089 0.4717374 0.1947529), wk = 0.0021322 k( 322) = ( 0.3902439 0.4787783 0.1947529), wk = 0.0021322 k( 323) = ( 0.3861789 0.4858191 0.1947529), wk = 0.0021322 k( 324) = ( 0.3821138 0.4928600 0.1947529), wk = 0.0021322 k( 325) = ( 0.3780488 0.4999008 0.1947529), wk = 0.0021322 k( 326) = ( 0.3739837 0.5069417 0.1947529), wk = 0.0021322 k( 327) = ( 0.3699187 0.5139826 0.1947529), wk = 0.0021322 k( 328) = ( 0.3658537 0.5210234 0.1947529), wk = 0.0021322 k( 329) = ( 0.3617886 0.5280643 0.1947529), wk = 0.0021322 k( 330) = ( 0.3577236 0.5351051 0.1947529), wk = 0.0021322 k( 331) = ( 0.3536585 0.5421460 0.1947529), wk = 0.0021322 k( 332) = ( 0.3495935 0.5491868 0.1947529), wk = 0.0021322 k( 333) = ( 0.3455285 0.5562277 0.1947529), wk = 0.0021322 k( 334) = ( 0.3414634 0.5632686 0.1947529), wk = 0.0021322 k( 335) = ( 0.3373984 0.5703094 0.1947529), wk = 0.0021322 k( 336) = ( 0.3333333 0.5773503 0.1947529), wk = 0.0021322 k( 337) = ( 0.3333333 0.5773503 0.1947529), wk = 0.0021322 k( 338) = ( 0.3292683 0.5703094 0.1947529), wk = 0.0021322 k( 339) = ( 0.3252032 0.5632686 0.1947529), wk = 0.0021322 k( 340) = ( 0.3211382 0.5562277 0.1947529), wk = 0.0021322 k( 341) = ( 0.3170732 0.5491868 0.1947529), wk = 0.0021322 k( 342) = ( 0.3130081 0.5421460 0.1947529), wk = 0.0021322 k( 343) = ( 0.3089431 0.5351051 0.1947529), wk = 0.0021322 k( 344) = ( 0.3048781 0.5280643 0.1947529), wk = 0.0021322 k( 345) = ( 0.3008130 0.5210234 0.1947529), wk = 0.0021322 k( 346) = ( 0.2967480 0.5139826 0.1947529), wk = 0.0021322 k( 347) = ( 0.2926829 0.5069417 0.1947529), wk = 0.0021322 k( 348) = ( 0.2886179 0.4999008 0.1947529), wk = 0.0021322 k( 349) = ( 0.2845529 0.4928600 0.1947529), wk = 0.0021322 k( 350) = ( 0.2804878 0.4858191 0.1947529), wk = 0.0021322 k( 351) = ( 0.2764228 0.4787783 0.1947529), wk = 0.0021322 k( 352) = ( 0.2723577 0.4717374 0.1947529), wk = 0.0021322 k( 353) = ( 0.2682927 0.4646966 0.1947529), wk = 0.0021322 k( 354) = ( 0.2642276 0.4576557 0.1947529), wk = 0.0021322 k( 355) = ( 0.2601626 0.4506148 0.1947529), wk = 0.0021322 k( 356) = ( 0.2560976 0.4435740 0.1947529), wk = 0.0021322 k( 357) = ( 0.2520325 0.4365331 0.1947529), wk = 0.0021322 k( 358) = ( 0.2479675 0.4294923 0.1947529), wk = 0.0021322 k( 359) = ( 0.2439024 0.4224514 0.1947529), wk = 0.0021322 k( 360) = ( 0.2398374 0.4154106 0.1947529), wk = 0.0021322 k( 361) = ( 0.2357724 0.4083697 0.1947529), wk = 0.0021322 k( 362) = ( 0.2317073 0.4013289 0.1947529), wk = 0.0021322 k( 363) = ( 0.2276423 0.3942880 0.1947529), wk = 0.0021322 k( 364) = ( 0.2235772 0.3872471 0.1947529), wk = 0.0021322 k( 365) = ( 0.2195122 0.3802063 0.1947529), wk = 0.0021322 k( 366) = ( 0.2154472 0.3731654 0.1947529), wk = 0.0021322 k( 367) = ( 0.2113821 0.3661246 0.1947529), wk = 0.0021322 k( 368) = ( 0.2073171 0.3590837 0.1947529), wk = 0.0021322 k( 369) = ( 0.2032520 0.3520428 0.1947529), wk = 0.0021322 k( 370) = ( 0.1991870 0.3450020 0.1947529), wk = 0.0021322 k( 371) = ( 0.1951219 0.3379611 0.1947529), wk = 0.0021322 k( 372) = ( 0.1910569 0.3309203 0.1947529), wk = 0.0021322 k( 373) = ( 0.1869919 0.3238794 0.1947529), wk = 0.0021322 k( 374) = ( 0.1829268 0.3168386 0.1947529), wk = 0.0021322 k( 375) = ( 0.1788618 0.3097977 0.1947529), wk = 0.0021322 k( 376) = ( 0.1747968 0.3027569 0.1947529), wk = 0.0021322 k( 377) = ( 0.1707317 0.2957160 0.1947529), wk = 0.0021322 k( 378) = ( 0.1666667 0.2886751 0.1947529), wk = 0.0021322 k( 379) = ( 0.1626016 0.2816343 0.1947529), wk = 0.0021322 k( 380) = ( 0.1585366 0.2745934 0.1947529), wk = 0.0021322 k( 381) = ( 0.1544715 0.2675526 0.1947529), wk = 0.0021322 k( 382) = ( 0.1504065 0.2605117 0.1947529), wk = 0.0021322 k( 383) = ( 0.1463415 0.2534708 0.1947529), wk = 0.0021322 k( 384) = ( 0.1422764 0.2464300 0.1947529), wk = 0.0021322 k( 385) = ( 0.1382114 0.2393891 0.1947529), wk = 0.0021322 k( 386) = ( 0.1341463 0.2323483 0.1947529), wk = 0.0021322 k( 387) = ( 0.1300813 0.2253074 0.1947529), wk = 0.0021322 k( 388) = ( 0.1260163 0.2182666 0.1947529), wk = 0.0021322 k( 389) = ( 0.1219512 0.2112257 0.1947529), wk = 0.0021322 k( 390) = ( 0.1178862 0.2041849 0.1947529), wk = 0.0021322 k( 391) = ( 0.1138211 0.1971440 0.1947529), wk = 0.0021322 k( 392) = ( 0.1097561 0.1901031 0.1947529), wk = 0.0021322 k( 393) = ( 0.1056911 0.1830623 0.1947529), wk = 0.0021322 k( 394) = ( 0.1016260 0.1760214 0.1947529), wk = 0.0021322 k( 395) = ( 0.0975610 0.1689806 0.1947529), wk = 0.0021322 k( 396) = ( 0.0934959 0.1619397 0.1947529), wk = 0.0021322 k( 397) = ( 0.0894309 0.1548988 0.1947529), wk = 0.0021322 k( 398) = ( 0.0853658 0.1478580 0.1947529), wk = 0.0021322 k( 399) = ( 0.0813008 0.1408171 0.1947529), wk = 0.0021322 k( 400) = ( 0.0772358 0.1337763 0.1947529), wk = 0.0021322 k( 401) = ( 0.0731707 0.1267354 0.1947529), wk = 0.0021322 k( 402) = ( 0.0691057 0.1196946 0.1947529), wk = 0.0021322 k( 403) = ( 0.0650407 0.1126537 0.1947529), wk = 0.0021322 k( 404) = ( 0.0609756 0.1056129 0.1947529), wk = 0.0021322 k( 405) = ( 0.0569106 0.0985720 0.1947529), wk = 0.0021322 k( 406) = ( 0.0528455 0.0915311 0.1947529), wk = 0.0021322 k( 407) = ( 0.0487805 0.0844903 0.1947529), wk = 0.0021322 k( 408) = ( 0.0447154 0.0774494 0.1947529), wk = 0.0021322 k( 409) = ( 0.0406504 0.0704086 0.1947529), wk = 0.0021322 k( 410) = ( 0.0365854 0.0633677 0.1947529), wk = 0.0021322 k( 411) = ( 0.0325203 0.0563269 0.1947529), wk = 0.0021322 k( 412) = ( 0.0284553 0.0492860 0.1947529), wk = 0.0021322 k( 413) = ( 0.0243902 0.0422451 0.1947529), wk = 0.0021322 k( 414) = ( 0.0203252 0.0352043 0.1947529), wk = 0.0021322 k( 415) = ( 0.0162602 0.0281634 0.1947529), wk = 0.0021322 k( 416) = ( 0.0121951 0.0211226 0.1947529), wk = 0.0021322 k( 417) = ( 0.0081301 0.0140817 0.1947529), wk = 0.0021322 k( 418) = ( 0.0040650 0.0070409 0.1947529), wk = 0.0021322 k( 419) = ( 0.0000000 0.0000000 0.1947529), wk = 0.0021322 k( 420) = ( 0.5000000 0.2886751 0.1947529), wk = 0.0021322 k( 421) = ( 0.5000000 0.2886751 0.1866382), wk = 0.0021322 k( 422) = ( 0.5000000 0.2886751 0.1785234), wk = 0.0021322 k( 423) = ( 0.5000000 0.2886751 0.1704087), wk = 0.0021322 k( 424) = ( 0.5000000 0.2886751 0.1622940), wk = 0.0021322 k( 425) = ( 0.5000000 0.2886751 0.1541793), wk = 0.0021322 k( 426) = ( 0.5000000 0.2886751 0.1460646), wk = 0.0021322 k( 427) = ( 0.5000000 0.2886751 0.1379499), wk = 0.0021322 k( 428) = ( 0.5000000 0.2886751 0.1298352), wk = 0.0021322 k( 429) = ( 0.5000000 0.2886751 0.1217205), wk = 0.0021322 k( 430) = ( 0.5000000 0.2886751 0.1136058), wk = 0.0021322 k( 431) = ( 0.5000000 0.2886751 0.1054911), wk = 0.0021322 k( 432) = ( 0.5000000 0.2886751 0.0973764), wk = 0.0021322 k( 433) = ( 0.5000000 0.2886751 0.0892617), wk = 0.0021322 k( 434) = ( 0.5000000 0.2886751 0.0811470), wk = 0.0021322 k( 435) = ( 0.5000000 0.2886751 0.0730323), wk = 0.0021322 k( 436) = ( 0.5000000 0.2886751 0.0649176), wk = 0.0021322 k( 437) = ( 0.5000000 0.2886751 0.0568029), wk = 0.0021322 k( 438) = ( 0.5000000 0.2886751 0.0486882), wk = 0.0021322 k( 439) = ( 0.5000000 0.2886751 0.0405735), wk = 0.0021322 k( 440) = ( 0.5000000 0.2886751 0.0324588), wk = 0.0021322 k( 441) = ( 0.5000000 0.2886751 0.0243441), wk = 0.0021322 k( 442) = ( 0.5000000 0.2886751 0.0162294), wk = 0.0021322 k( 443) = ( 0.5000000 0.2886751 0.0081147), wk = 0.0021322 k( 444) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021322 k( 445) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021322 k( 446) = ( 0.3333333 0.5773503 0.0081147), wk = 0.0021322 k( 447) = ( 0.3333333 0.5773503 0.0162294), wk = 0.0021322 k( 448) = ( 0.3333333 0.5773503 0.0243441), wk = 0.0021322 k( 449) = ( 0.3333333 0.5773503 0.0324588), wk = 0.0021322 k( 450) = ( 0.3333333 0.5773503 0.0405735), wk = 0.0021322 k( 451) = ( 0.3333333 0.5773503 0.0486882), wk = 0.0021322 k( 452) = ( 0.3333333 0.5773503 0.0568029), wk = 0.0021322 k( 453) = ( 0.3333333 0.5773503 0.0649176), wk = 0.0021322 k( 454) = ( 0.3333333 0.5773503 0.0730323), wk = 0.0021322 k( 455) = ( 0.3333333 0.5773503 0.0811470), wk = 0.0021322 k( 456) = ( 0.3333333 0.5773503 0.0892617), wk = 0.0021322 k( 457) = ( 0.3333333 0.5773503 0.0973764), wk = 0.0021322 k( 458) = ( 0.3333333 0.5773503 0.1054911), wk = 0.0021322 k( 459) = ( 0.3333333 0.5773503 0.1136058), wk = 0.0021322 k( 460) = ( 0.3333333 0.5773503 0.1217205), wk = 0.0021322 k( 461) = ( 0.3333333 0.5773503 0.1298352), wk = 0.0021322 k( 462) = ( 0.3333333 0.5773503 0.1379499), wk = 0.0021322 k( 463) = ( 0.3333333 0.5773503 0.1460646), wk = 0.0021322 k( 464) = ( 0.3333333 0.5773503 0.1541793), wk = 0.0021322 k( 465) = ( 0.3333333 0.5773503 0.1622940), wk = 0.0021322 k( 466) = ( 0.3333333 0.5773503 0.1704087), wk = 0.0021322 k( 467) = ( 0.3333333 0.5773503 0.1785234), wk = 0.0021322 k( 468) = ( 0.3333333 0.5773503 0.1866382), wk = 0.0021322 k( 469) = ( 0.3333333 0.5773503 0.1947529), wk = 0.0021322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 2) = ( 0.0070422 -0.0000000 -0.0000000), wk = 0.0021322 k( 3) = ( 0.0140845 -0.0000000 0.0000000), wk = 0.0021322 k( 4) = ( 0.0211268 -0.0000000 -0.0000000), wk = 0.0021322 k( 5) = ( 0.0281690 -0.0000000 -0.0000000), wk = 0.0021322 k( 6) = ( 0.0352113 -0.0000000 -0.0000000), wk = 0.0021322 k( 7) = ( 0.0422535 -0.0000000 -0.0000000), wk = 0.0021322 k( 8) = ( 0.0492958 -0.0000000 -0.0000000), wk = 0.0021322 k( 9) = ( 0.0563380 0.0000000 -0.0000000), wk = 0.0021322 k( 10) = ( 0.0633803 -0.0000000 -0.0000000), wk = 0.0021322 k( 11) = ( 0.0704225 -0.0000000 -0.0000000), wk = 0.0021322 k( 12) = ( 0.0774648 -0.0000000 0.0000000), wk = 0.0021322 k( 13) = ( 0.0845070 -0.0000000 -0.0000000), wk = 0.0021322 k( 14) = ( 0.0915493 -0.0000000 -0.0000000), wk = 0.0021322 k( 15) = ( 0.0985916 -0.0000000 -0.0000000), wk = 0.0021322 k( 16) = ( 0.1056338 -0.0000000 -0.0000000), wk = 0.0021322 k( 17) = ( 0.1126761 0.0000000 -0.0000000), wk = 0.0021322 k( 18) = ( 0.1197183 -0.0000000 0.0000000), wk = 0.0021322 k( 19) = ( 0.1267606 -0.0000000 -0.0000000), wk = 0.0021322 k( 20) = ( 0.1338028 -0.0000000 -0.0000000), wk = 0.0021322 k( 21) = ( 0.1408451 -0.0000000 -0.0000000), wk = 0.0021322 k( 22) = ( 0.1478873 -0.0000000 0.0000000), wk = 0.0021322 k( 23) = ( 0.1549296 -0.0000000 0.0000000), wk = 0.0021322 k( 24) = ( 0.1619718 -0.0000000 -0.0000000), wk = 0.0021322 k( 25) = ( 0.1690141 -0.0000000 -0.0000000), wk = 0.0021322 k( 26) = ( 0.1760563 -0.0000000 -0.0000000), wk = 0.0021322 k( 27) = ( 0.1830986 -0.0000000 -0.0000000), wk = 0.0021322 k( 28) = ( 0.1901409 -0.0000000 -0.0000000), wk = 0.0021322 k( 29) = ( 0.1971831 -0.0000000 -0.0000000), wk = 0.0021322 k( 30) = ( 0.2042253 -0.0000000 -0.0000000), wk = 0.0021322 k( 31) = ( 0.2112676 -0.0000000 -0.0000000), wk = 0.0021322 k( 32) = ( 0.2183099 -0.0000000 -0.0000000), wk = 0.0021322 k( 33) = ( 0.2253521 -0.0000000 -0.0000000), wk = 0.0021322 k( 34) = ( 0.2323944 0.0000000 -0.0000000), wk = 0.0021322 k( 35) = ( 0.2394366 -0.0000000 0.0000000), wk = 0.0021322 k( 36) = ( 0.2464789 -0.0000000 -0.0000000), wk = 0.0021322 k( 37) = ( 0.2535211 -0.0000000 -0.0000000), wk = 0.0021322 k( 38) = ( 0.2605634 -0.0000000 -0.0000000), wk = 0.0021322 k( 39) = ( 0.2676056 -0.0000000 -0.0000000), wk = 0.0021322 k( 40) = ( 0.2746479 -0.0000000 -0.0000000), wk = 0.0021322 k( 41) = ( 0.2816901 -0.0000000 -0.0000000), wk = 0.0021322 k( 42) = ( 0.2887324 -0.0000000 -0.0000000), wk = 0.0021322 k( 43) = ( 0.2957746 -0.0000000 -0.0000000), wk = 0.0021322 k( 44) = ( 0.3028169 -0.0000000 0.0000000), wk = 0.0021322 k( 45) = ( 0.3098592 -0.0000000 -0.0000000), wk = 0.0021322 k( 46) = ( 0.3169014 -0.0000000 0.0000000), wk = 0.0021322 k( 47) = ( 0.3239437 -0.0000000 -0.0000000), wk = 0.0021322 k( 48) = ( 0.3309859 -0.0000000 -0.0000000), wk = 0.0021322 k( 49) = ( 0.3380282 -0.0000000 -0.0000000), wk = 0.0021322 k( 50) = ( 0.3450704 -0.0000000 -0.0000000), wk = 0.0021322 k( 51) = ( 0.3521127 -0.0000000 -0.0000000), wk = 0.0021322 k( 52) = ( 0.3591549 -0.0000000 -0.0000000), wk = 0.0021322 k( 53) = ( 0.3661972 -0.0000000 -0.0000000), wk = 0.0021322 k( 54) = ( 0.3732394 -0.0000000 -0.0000000), wk = 0.0021322 k( 55) = ( 0.3802817 -0.0000000 -0.0000000), wk = 0.0021322 k( 56) = ( 0.3873239 -0.0000000 -0.0000000), wk = 0.0021322 k( 57) = ( 0.3943662 -0.0000000 -0.0000000), wk = 0.0021322 k( 58) = ( 0.4014085 -0.0000000 -0.0000000), wk = 0.0021322 k( 59) = ( 0.4084507 -0.0000000 -0.0000000), wk = 0.0021322 k( 60) = ( 0.4154930 -0.0000000 -0.0000000), wk = 0.0021322 k( 61) = ( 0.4225352 -0.0000000 -0.0000000), wk = 0.0021322 k( 62) = ( 0.4295775 -0.0000000 -0.0000000), wk = 0.0021322 k( 63) = ( 0.4366197 -0.0000000 -0.0000000), wk = 0.0021322 k( 64) = ( 0.4436620 -0.0000000 -0.0000000), wk = 0.0021322 k( 65) = ( 0.4507042 -0.0000000 -0.0000000), wk = 0.0021322 k( 66) = ( 0.4577465 -0.0000000 -0.0000000), wk = 0.0021322 k( 67) = ( 0.4647887 0.0000000 0.0000000), wk = 0.0021322 k( 68) = ( 0.4718310 0.0000000 -0.0000000), wk = 0.0021322 k( 69) = ( 0.4788732 -0.0000000 0.0000000), wk = 0.0021322 k( 70) = ( 0.4859155 0.0000000 -0.0000000), wk = 0.0021322 k( 71) = ( 0.4929577 -0.0000000 -0.0000000), wk = 0.0021322 k( 72) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021322 k( 73) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021322 k( 74) = ( 0.4959350 0.0081301 -0.0000000), wk = 0.0021322 k( 75) = ( 0.4918699 0.0162602 -0.0000000), wk = 0.0021322 k( 76) = ( 0.4878049 0.0243902 -0.0000000), wk = 0.0021322 k( 77) = ( 0.4837398 0.0325203 0.0000000), wk = 0.0021322 k( 78) = ( 0.4796748 0.0406504 -0.0000000), wk = 0.0021322 k( 79) = ( 0.4756098 0.0487805 -0.0000000), wk = 0.0021322 k( 80) = ( 0.4715447 0.0569106 -0.0000000), wk = 0.0021322 k( 81) = ( 0.4674797 0.0650406 -0.0000000), wk = 0.0021322 k( 82) = ( 0.4634146 0.0731707 -0.0000000), wk = 0.0021322 k( 83) = ( 0.4593496 0.0813008 -0.0000000), wk = 0.0021322 k( 84) = ( 0.4552846 0.0894309 -0.0000000), wk = 0.0021322 k( 85) = ( 0.4512195 0.0975610 -0.0000000), wk = 0.0021322 k( 86) = ( 0.4471545 0.1056911 -0.0000000), wk = 0.0021322 k( 87) = ( 0.4430894 0.1138211 -0.0000000), wk = 0.0021322 k( 88) = ( 0.4390244 0.1219512 -0.0000000), wk = 0.0021322 k( 89) = ( 0.4349594 0.1300813 0.0000000), wk = 0.0021322 k( 90) = ( 0.4308943 0.1382114 -0.0000000), wk = 0.0021322 k( 91) = ( 0.4268293 0.1463415 -0.0000000), wk = 0.0021322 k( 92) = ( 0.4227642 0.1544715 -0.0000000), wk = 0.0021322 k( 93) = ( 0.4186992 0.1626016 0.0000000), wk = 0.0021322 k( 94) = ( 0.4146341 0.1707317 -0.0000000), wk = 0.0021322 k( 95) = ( 0.4105691 0.1788618 0.0000000), wk = 0.0021322 k( 96) = ( 0.4065041 0.1869919 -0.0000000), wk = 0.0021322 k( 97) = ( 0.4024390 0.1951219 -0.0000000), wk = 0.0021322 k( 98) = ( 0.3983740 0.2032520 -0.0000000), wk = 0.0021322 k( 99) = ( 0.3943089 0.2113821 -0.0000000), wk = 0.0021322 k( 100) = ( 0.3902439 0.2195122 -0.0000000), wk = 0.0021322 k( 101) = ( 0.3861789 0.2276423 -0.0000000), wk = 0.0021322 k( 102) = ( 0.3821138 0.2357724 -0.0000000), wk = 0.0021322 k( 103) = ( 0.3780488 0.2439024 0.0000000), wk = 0.0021322 k( 104) = ( 0.3739837 0.2520325 -0.0000000), wk = 0.0021322 k( 105) = ( 0.3699187 0.2601626 -0.0000000), wk = 0.0021322 k( 106) = ( 0.3658537 0.2682927 -0.0000000), wk = 0.0021322 k( 107) = ( 0.3617886 0.2764228 -0.0000000), wk = 0.0021322 k( 108) = ( 0.3577236 0.2845529 0.0000000), wk = 0.0021322 k( 109) = ( 0.3536585 0.2926829 -0.0000000), wk = 0.0021322 k( 110) = ( 0.3495935 0.3008130 -0.0000000), wk = 0.0021322 k( 111) = ( 0.3455285 0.3089431 -0.0000000), wk = 0.0021322 k( 112) = ( 0.3414634 0.3170732 -0.0000000), wk = 0.0021322 k( 113) = ( 0.3373984 0.3252032 -0.0000000), wk = 0.0021322 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021322 k( 115) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021322 k( 116) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0021322 k( 117) = ( 0.3252032 0.3252032 -0.0000000), wk = 0.0021322 k( 118) = ( 0.3211382 0.3211382 -0.0000000), wk = 0.0021322 k( 119) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0021322 k( 120) = ( 0.3130081 0.3130081 -0.0000000), wk = 0.0021322 k( 121) = ( 0.3089431 0.3089431 0.0000000), wk = 0.0021322 k( 122) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0021322 k( 123) = ( 0.3008130 0.3008130 -0.0000000), wk = 0.0021322 k( 124) = ( 0.2967480 0.2967480 -0.0000000), wk = 0.0021322 k( 125) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0021322 k( 126) = ( 0.2886179 0.2886179 -0.0000000), wk = 0.0021322 k( 127) = ( 0.2845529 0.2845528 -0.0000000), wk = 0.0021322 k( 128) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0021322 k( 129) = ( 0.2764228 0.2764228 -0.0000000), wk = 0.0021322 k( 130) = ( 0.2723577 0.2723577 -0.0000000), wk = 0.0021322 k( 131) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0021322 k( 132) = ( 0.2642276 0.2642276 -0.0000000), wk = 0.0021322 k( 133) = ( 0.2601626 0.2601626 -0.0000000), wk = 0.0021322 k( 134) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0021322 k( 135) = ( 0.2520325 0.2520325 0.0000000), wk = 0.0021322 k( 136) = ( 0.2479675 0.2479675 0.0000000), wk = 0.0021322 k( 137) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0021322 k( 138) = ( 0.2398374 0.2398374 -0.0000000), wk = 0.0021322 k( 139) = ( 0.2357724 0.2357724 -0.0000000), wk = 0.0021322 k( 140) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0021322 k( 141) = ( 0.2276423 0.2276423 0.0000000), wk = 0.0021322 k( 142) = ( 0.2235772 0.2235772 0.0000000), wk = 0.0021322 k( 143) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0021322 k( 144) = ( 0.2154472 0.2154472 0.0000000), wk = 0.0021322 k( 145) = ( 0.2113821 0.2113821 -0.0000000), wk = 0.0021322 k( 146) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0021322 k( 147) = ( 0.2032520 0.2032520 0.0000000), wk = 0.0021322 k( 148) = ( 0.1991870 0.1991870 -0.0000000), wk = 0.0021322 k( 149) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0021322 k( 150) = ( 0.1910569 0.1910569 -0.0000000), wk = 0.0021322 k( 151) = ( 0.1869919 0.1869919 -0.0000000), wk = 0.0021322 k( 152) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0021322 k( 153) = ( 0.1788618 0.1788618 0.0000000), wk = 0.0021322 k( 154) = ( 0.1747968 0.1747967 -0.0000000), wk = 0.0021322 k( 155) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0021322 k( 156) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0021322 k( 157) = ( 0.1626016 0.1626016 -0.0000000), wk = 0.0021322 k( 158) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0021322 k( 159) = ( 0.1544715 0.1544715 0.0000000), wk = 0.0021322 k( 160) = ( 0.1504065 0.1504065 -0.0000000), wk = 0.0021322 k( 161) = ( 0.1463415 0.1463415 0.0000000), wk = 0.0021322 k( 162) = ( 0.1422764 0.1422764 -0.0000000), wk = 0.0021322 k( 163) = ( 0.1382114 0.1382114 -0.0000000), wk = 0.0021322 k( 164) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0021322 k( 165) = ( 0.1300813 0.1300813 -0.0000000), wk = 0.0021322 k( 166) = ( 0.1260163 0.1260163 0.0000000), wk = 0.0021322 k( 167) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0021322 k( 168) = ( 0.1178862 0.1178862 -0.0000000), wk = 0.0021322 k( 169) = ( 0.1138211 0.1138211 0.0000000), wk = 0.0021322 k( 170) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0021322 k( 171) = ( 0.1056911 0.1056911 -0.0000000), wk = 0.0021322 k( 172) = ( 0.1016260 0.1016260 0.0000000), wk = 0.0021322 k( 173) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0021322 k( 174) = ( 0.0934959 0.0934959 0.0000000), wk = 0.0021322 k( 175) = ( 0.0894309 0.0894309 -0.0000000), wk = 0.0021322 k( 176) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0021322 k( 177) = ( 0.0813008 0.0813008 0.0000000), wk = 0.0021322 k( 178) = ( 0.0772358 0.0772358 0.0000000), wk = 0.0021322 k( 179) = ( 0.0731707 0.0731707 0.0000000), wk = 0.0021322 k( 180) = ( 0.0691057 0.0691057 -0.0000000), wk = 0.0021322 k( 181) = ( 0.0650407 0.0650406 -0.0000000), wk = 0.0021322 k( 182) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0021322 k( 183) = ( 0.0569106 0.0569106 0.0000000), wk = 0.0021322 k( 184) = ( 0.0528455 0.0528455 -0.0000000), wk = 0.0021322 k( 185) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0021322 k( 186) = ( 0.0447154 0.0447154 -0.0000000), wk = 0.0021322 k( 187) = ( 0.0406504 0.0406504 -0.0000000), wk = 0.0021322 k( 188) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0021322 k( 189) = ( 0.0325203 0.0325203 -0.0000000), wk = 0.0021322 k( 190) = ( 0.0284553 0.0284553 -0.0000000), wk = 0.0021322 k( 191) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0021322 k( 192) = ( 0.0203252 0.0203252 0.0000000), wk = 0.0021322 k( 193) = ( 0.0162602 0.0162602 -0.0000000), wk = 0.0021322 k( 194) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0021322 k( 195) = ( 0.0081301 0.0081301 -0.0000000), wk = 0.0021322 k( 196) = ( 0.0040650 0.0040650 -0.0000000), wk = 0.0021322 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021322 k( 199) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0021322 k( 200) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0021322 k( 201) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021322 k( 202) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021322 k( 203) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0021322 k( 204) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021322 k( 205) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0021322 k( 206) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021322 k( 207) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021322 k( 208) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0021322 k( 209) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0021322 k( 210) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021322 k( 211) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0021322 k( 212) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0021322 k( 213) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021322 k( 214) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021322 k( 215) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0021322 k( 216) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021322 k( 217) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0021322 k( 218) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021322 k( 219) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021322 k( 220) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0021322 k( 221) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0021322 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021322 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021322 k( 224) = ( 0.0070422 -0.0000000 0.5000000), wk = 0.0021322 k( 225) = ( 0.0140845 -0.0000000 0.5000000), wk = 0.0021322 k( 226) = ( 0.0211268 -0.0000000 0.5000000), wk = 0.0021322 k( 227) = ( 0.0281690 -0.0000000 0.5000000), wk = 0.0021322 k( 228) = ( 0.0352113 -0.0000000 0.5000000), wk = 0.0021322 k( 229) = ( 0.0422535 -0.0000000 0.5000000), wk = 0.0021322 k( 230) = ( 0.0492958 -0.0000000 0.5000000), wk = 0.0021322 k( 231) = ( 0.0563380 0.0000000 0.5000000), wk = 0.0021322 k( 232) = ( 0.0633803 -0.0000000 0.5000000), wk = 0.0021322 k( 233) = ( 0.0704225 -0.0000000 0.5000000), wk = 0.0021322 k( 234) = ( 0.0774648 -0.0000000 0.5000000), wk = 0.0021322 k( 235) = ( 0.0845070 -0.0000000 0.5000000), wk = 0.0021322 k( 236) = ( 0.0915493 -0.0000000 0.5000000), wk = 0.0021322 k( 237) = ( 0.0985916 -0.0000000 0.5000000), wk = 0.0021322 k( 238) = ( 0.1056338 -0.0000000 0.5000000), wk = 0.0021322 k( 239) = ( 0.1126761 0.0000000 0.5000000), wk = 0.0021322 k( 240) = ( 0.1197183 -0.0000000 0.5000000), wk = 0.0021322 k( 241) = ( 0.1267606 -0.0000000 0.5000000), wk = 0.0021322 k( 242) = ( 0.1338028 -0.0000000 0.5000000), wk = 0.0021322 k( 243) = ( 0.1408451 -0.0000000 0.5000000), wk = 0.0021322 k( 244) = ( 0.1478873 -0.0000000 0.5000000), wk = 0.0021322 k( 245) = ( 0.1549296 -0.0000000 0.5000000), wk = 0.0021322 k( 246) = ( 0.1619718 -0.0000000 0.5000000), wk = 0.0021322 k( 247) = ( 0.1690141 -0.0000000 0.5000000), wk = 0.0021322 k( 248) = ( 0.1760563 -0.0000000 0.5000000), wk = 0.0021322 k( 249) = ( 0.1830986 -0.0000000 0.5000000), wk = 0.0021322 k( 250) = ( 0.1901409 -0.0000000 0.5000000), wk = 0.0021322 k( 251) = ( 0.1971831 -0.0000000 0.5000000), wk = 0.0021322 k( 252) = ( 0.2042253 -0.0000000 0.5000000), wk = 0.0021322 k( 253) = ( 0.2112676 -0.0000000 0.5000000), wk = 0.0021322 k( 254) = ( 0.2183099 -0.0000000 0.5000000), wk = 0.0021322 k( 255) = ( 0.2253521 -0.0000000 0.5000000), wk = 0.0021322 k( 256) = ( 0.2323944 0.0000000 0.5000000), wk = 0.0021322 k( 257) = ( 0.2394366 -0.0000000 0.5000000), wk = 0.0021322 k( 258) = ( 0.2464789 -0.0000000 0.5000000), wk = 0.0021322 k( 259) = ( 0.2535211 -0.0000000 0.5000000), wk = 0.0021322 k( 260) = ( 0.2605634 -0.0000000 0.5000000), wk = 0.0021322 k( 261) = ( 0.2676056 -0.0000000 0.5000000), wk = 0.0021322 k( 262) = ( 0.2746479 -0.0000000 0.5000000), wk = 0.0021322 k( 263) = ( 0.2816901 -0.0000000 0.5000000), wk = 0.0021322 k( 264) = ( 0.2887324 -0.0000000 0.5000000), wk = 0.0021322 k( 265) = ( 0.2957746 -0.0000000 0.5000000), wk = 0.0021322 k( 266) = ( 0.3028169 -0.0000000 0.5000000), wk = 0.0021322 k( 267) = ( 0.3098592 -0.0000000 0.5000000), wk = 0.0021322 k( 268) = ( 0.3169014 -0.0000000 0.5000000), wk = 0.0021322 k( 269) = ( 0.3239437 -0.0000000 0.5000000), wk = 0.0021322 k( 270) = ( 0.3309859 -0.0000000 0.5000000), wk = 0.0021322 k( 271) = ( 0.3380282 -0.0000000 0.5000000), wk = 0.0021322 k( 272) = ( 0.3450704 -0.0000000 0.5000000), wk = 0.0021322 k( 273) = ( 0.3521127 -0.0000000 0.5000000), wk = 0.0021322 k( 274) = ( 0.3591549 -0.0000000 0.5000000), wk = 0.0021322 k( 275) = ( 0.3661972 -0.0000000 0.5000000), wk = 0.0021322 k( 276) = ( 0.3732394 -0.0000000 0.5000000), wk = 0.0021322 k( 277) = ( 0.3802817 -0.0000000 0.5000000), wk = 0.0021322 k( 278) = ( 0.3873239 -0.0000000 0.5000000), wk = 0.0021322 k( 279) = ( 0.3943662 -0.0000000 0.5000000), wk = 0.0021322 k( 280) = ( 0.4014085 -0.0000000 0.5000000), wk = 0.0021322 k( 281) = ( 0.4084507 -0.0000000 0.5000000), wk = 0.0021322 k( 282) = ( 0.4154930 -0.0000000 0.5000000), wk = 0.0021322 k( 283) = ( 0.4225352 -0.0000000 0.5000000), wk = 0.0021322 k( 284) = ( 0.4295775 -0.0000000 0.5000000), wk = 0.0021322 k( 285) = ( 0.4366197 -0.0000000 0.5000000), wk = 0.0021322 k( 286) = ( 0.4436620 -0.0000000 0.5000000), wk = 0.0021322 k( 287) = ( 0.4507042 -0.0000000 0.5000000), wk = 0.0021322 k( 288) = ( 0.4577465 -0.0000000 0.5000000), wk = 0.0021322 k( 289) = ( 0.4647887 0.0000000 0.5000000), wk = 0.0021322 k( 290) = ( 0.4718310 0.0000000 0.5000000), wk = 0.0021322 k( 291) = ( 0.4788732 -0.0000000 0.5000000), wk = 0.0021322 k( 292) = ( 0.4859155 0.0000000 0.5000000), wk = 0.0021322 k( 293) = ( 0.4929577 -0.0000000 0.5000000), wk = 0.0021322 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021322 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021322 k( 296) = ( 0.4959350 0.0081301 0.5000000), wk = 0.0021322 k( 297) = ( 0.4918699 0.0162602 0.5000000), wk = 0.0021322 k( 298) = ( 0.4878049 0.0243902 0.5000000), wk = 0.0021322 k( 299) = ( 0.4837398 0.0325203 0.5000000), wk = 0.0021322 k( 300) = ( 0.4796748 0.0406504 0.5000000), wk = 0.0021322 k( 301) = ( 0.4756098 0.0487805 0.5000000), wk = 0.0021322 k( 302) = ( 0.4715447 0.0569106 0.5000000), wk = 0.0021322 k( 303) = ( 0.4674797 0.0650406 0.5000000), wk = 0.0021322 k( 304) = ( 0.4634146 0.0731707 0.5000000), wk = 0.0021322 k( 305) = ( 0.4593496 0.0813008 0.5000000), wk = 0.0021322 k( 306) = ( 0.4552846 0.0894309 0.5000000), wk = 0.0021322 k( 307) = ( 0.4512195 0.0975610 0.5000000), wk = 0.0021322 k( 308) = ( 0.4471545 0.1056911 0.5000000), wk = 0.0021322 k( 309) = ( 0.4430894 0.1138211 0.5000000), wk = 0.0021322 k( 310) = ( 0.4390244 0.1219512 0.5000000), wk = 0.0021322 k( 311) = ( 0.4349594 0.1300813 0.5000000), wk = 0.0021322 k( 312) = ( 0.4308943 0.1382114 0.5000000), wk = 0.0021322 k( 313) = ( 0.4268293 0.1463415 0.5000000), wk = 0.0021322 k( 314) = ( 0.4227642 0.1544715 0.5000000), wk = 0.0021322 k( 315) = ( 0.4186992 0.1626016 0.5000000), wk = 0.0021322 k( 316) = ( 0.4146341 0.1707317 0.5000000), wk = 0.0021322 k( 317) = ( 0.4105691 0.1788618 0.5000000), wk = 0.0021322 k( 318) = ( 0.4065041 0.1869919 0.5000000), wk = 0.0021322 k( 319) = ( 0.4024390 0.1951219 0.5000000), wk = 0.0021322 k( 320) = ( 0.3983740 0.2032520 0.5000000), wk = 0.0021322 k( 321) = ( 0.3943089 0.2113821 0.5000000), wk = 0.0021322 k( 322) = ( 0.3902439 0.2195122 0.5000000), wk = 0.0021322 k( 323) = ( 0.3861789 0.2276423 0.5000000), wk = 0.0021322 k( 324) = ( 0.3821138 0.2357724 0.5000000), wk = 0.0021322 k( 325) = ( 0.3780488 0.2439024 0.5000000), wk = 0.0021322 k( 326) = ( 0.3739837 0.2520325 0.5000000), wk = 0.0021322 k( 327) = ( 0.3699187 0.2601626 0.5000000), wk = 0.0021322 k( 328) = ( 0.3658537 0.2682927 0.5000000), wk = 0.0021322 k( 329) = ( 0.3617886 0.2764228 0.5000000), wk = 0.0021322 k( 330) = ( 0.3577236 0.2845529 0.5000000), wk = 0.0021322 k( 331) = ( 0.3536585 0.2926829 0.5000000), wk = 0.0021322 k( 332) = ( 0.3495935 0.3008130 0.5000000), wk = 0.0021322 k( 333) = ( 0.3455285 0.3089431 0.5000000), wk = 0.0021322 k( 334) = ( 0.3414634 0.3170732 0.5000000), wk = 0.0021322 k( 335) = ( 0.3373984 0.3252032 0.5000000), wk = 0.0021322 k( 336) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021322 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021322 k( 338) = ( 0.3292683 0.3292683 0.5000000), wk = 0.0021322 k( 339) = ( 0.3252032 0.3252032 0.5000000), wk = 0.0021322 k( 340) = ( 0.3211382 0.3211382 0.5000000), wk = 0.0021322 k( 341) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0021322 k( 342) = ( 0.3130081 0.3130081 0.5000000), wk = 0.0021322 k( 343) = ( 0.3089431 0.3089431 0.5000000), wk = 0.0021322 k( 344) = ( 0.3048781 0.3048780 0.5000000), wk = 0.0021322 k( 345) = ( 0.3008130 0.3008130 0.5000000), wk = 0.0021322 k( 346) = ( 0.2967480 0.2967480 0.5000000), wk = 0.0021322 k( 347) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0021322 k( 348) = ( 0.2886179 0.2886179 0.5000000), wk = 0.0021322 k( 349) = ( 0.2845529 0.2845528 0.5000000), wk = 0.0021322 k( 350) = ( 0.2804878 0.2804878 0.5000000), wk = 0.0021322 k( 351) = ( 0.2764228 0.2764228 0.5000000), wk = 0.0021322 k( 352) = ( 0.2723577 0.2723577 0.5000000), wk = 0.0021322 k( 353) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0021322 k( 354) = ( 0.2642276 0.2642276 0.5000000), wk = 0.0021322 k( 355) = ( 0.2601626 0.2601626 0.5000000), wk = 0.0021322 k( 356) = ( 0.2560976 0.2560976 0.5000000), wk = 0.0021322 k( 357) = ( 0.2520325 0.2520325 0.5000000), wk = 0.0021322 k( 358) = ( 0.2479675 0.2479675 0.5000000), wk = 0.0021322 k( 359) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0021322 k( 360) = ( 0.2398374 0.2398374 0.5000000), wk = 0.0021322 k( 361) = ( 0.2357724 0.2357724 0.5000000), wk = 0.0021322 k( 362) = ( 0.2317073 0.2317073 0.5000000), wk = 0.0021322 k( 363) = ( 0.2276423 0.2276423 0.5000000), wk = 0.0021322 k( 364) = ( 0.2235772 0.2235772 0.5000000), wk = 0.0021322 k( 365) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0021322 k( 366) = ( 0.2154472 0.2154472 0.5000000), wk = 0.0021322 k( 367) = ( 0.2113821 0.2113821 0.5000000), wk = 0.0021322 k( 368) = ( 0.2073171 0.2073171 0.5000000), wk = 0.0021322 k( 369) = ( 0.2032520 0.2032520 0.5000000), wk = 0.0021322 k( 370) = ( 0.1991870 0.1991870 0.5000000), wk = 0.0021322 k( 371) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0021322 k( 372) = ( 0.1910569 0.1910569 0.5000000), wk = 0.0021322 k( 373) = ( 0.1869919 0.1869919 0.5000000), wk = 0.0021322 k( 374) = ( 0.1829268 0.1829268 0.5000000), wk = 0.0021322 k( 375) = ( 0.1788618 0.1788618 0.5000000), wk = 0.0021322 k( 376) = ( 0.1747968 0.1747967 0.5000000), wk = 0.0021322 k( 377) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0021322 k( 378) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021322 k( 379) = ( 0.1626016 0.1626016 0.5000000), wk = 0.0021322 k( 380) = ( 0.1585366 0.1585366 0.5000000), wk = 0.0021322 k( 381) = ( 0.1544715 0.1544715 0.5000000), wk = 0.0021322 k( 382) = ( 0.1504065 0.1504065 0.5000000), wk = 0.0021322 k( 383) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0021322 k( 384) = ( 0.1422764 0.1422764 0.5000000), wk = 0.0021322 k( 385) = ( 0.1382114 0.1382114 0.5000000), wk = 0.0021322 k( 386) = ( 0.1341463 0.1341463 0.5000000), wk = 0.0021322 k( 387) = ( 0.1300813 0.1300813 0.5000000), wk = 0.0021322 k( 388) = ( 0.1260163 0.1260163 0.5000000), wk = 0.0021322 k( 389) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0021322 k( 390) = ( 0.1178862 0.1178862 0.5000000), wk = 0.0021322 k( 391) = ( 0.1138211 0.1138211 0.5000000), wk = 0.0021322 k( 392) = ( 0.1097561 0.1097561 0.5000000), wk = 0.0021322 k( 393) = ( 0.1056911 0.1056911 0.5000000), wk = 0.0021322 k( 394) = ( 0.1016260 0.1016260 0.5000000), wk = 0.0021322 k( 395) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0021322 k( 396) = ( 0.0934959 0.0934959 0.5000000), wk = 0.0021322 k( 397) = ( 0.0894309 0.0894309 0.5000000), wk = 0.0021322 k( 398) = ( 0.0853658 0.0853658 0.5000000), wk = 0.0021322 k( 399) = ( 0.0813008 0.0813008 0.5000000), wk = 0.0021322 k( 400) = ( 0.0772358 0.0772358 0.5000000), wk = 0.0021322 k( 401) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0021322 k( 402) = ( 0.0691057 0.0691057 0.5000000), wk = 0.0021322 k( 403) = ( 0.0650407 0.0650406 0.5000000), wk = 0.0021322 k( 404) = ( 0.0609756 0.0609756 0.5000000), wk = 0.0021322 k( 405) = ( 0.0569106 0.0569106 0.5000000), wk = 0.0021322 k( 406) = ( 0.0528455 0.0528455 0.5000000), wk = 0.0021322 k( 407) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0021322 k( 408) = ( 0.0447154 0.0447154 0.5000000), wk = 0.0021322 k( 409) = ( 0.0406504 0.0406504 0.5000000), wk = 0.0021322 k( 410) = ( 0.0365854 0.0365854 0.5000000), wk = 0.0021322 k( 411) = ( 0.0325203 0.0325203 0.5000000), wk = 0.0021322 k( 412) = ( 0.0284553 0.0284553 0.5000000), wk = 0.0021322 k( 413) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0021322 k( 414) = ( 0.0203252 0.0203252 0.5000000), wk = 0.0021322 k( 415) = ( 0.0162602 0.0162602 0.5000000), wk = 0.0021322 k( 416) = ( 0.0121951 0.0121951 0.5000000), wk = 0.0021322 k( 417) = ( 0.0081301 0.0081301 0.5000000), wk = 0.0021322 k( 418) = ( 0.0040650 0.0040650 0.5000000), wk = 0.0021322 k( 419) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021322 k( 420) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021322 k( 421) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0021322 k( 422) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0021322 k( 423) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0021322 k( 424) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0021322 k( 425) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0021322 k( 426) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0021322 k( 427) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0021322 k( 428) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0021322 k( 429) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0021322 k( 430) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0021322 k( 431) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0021322 k( 432) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0021322 k( 433) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0021322 k( 434) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0021322 k( 435) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0021322 k( 436) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0021322 k( 437) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0021322 k( 438) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0021322 k( 439) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0021322 k( 440) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0021322 k( 441) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0021322 k( 442) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0021322 k( 443) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0021322 k( 444) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021322 k( 445) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021322 k( 446) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0021322 k( 447) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0021322 k( 448) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0021322 k( 449) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0021322 k( 450) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0021322 k( 451) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0021322 k( 452) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0021322 k( 453) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0021322 k( 454) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0021322 k( 455) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0021322 k( 456) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0021322 k( 457) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021322 k( 458) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0021322 k( 459) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0021322 k( 460) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0021322 k( 461) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021322 k( 462) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0021322 k( 463) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0021322 k( 464) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0021322 k( 465) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0021322 k( 466) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0021322 k( 467) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0021322 k( 468) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0021322 k( 469) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021322 Dense grid: 24743 G-vectors FFT dimensions: ( 27, 27, 72) Smooth grid: 10975 G-vectors FFT dimensions: ( 24, 24, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 32) NL pseudopotentials 0.04 Mb ( 46, 56) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.01 Mb ( 686) G-vector shells 0.00 Mb ( 350) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 92, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 56, 2, 32) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.9 secs Computing kpt #: 2 total cpu time spent up to now is 1.1 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.8 secs Computing kpt #: 8 total cpu time spent up to now is 1.9 secs Computing kpt #: 9 total cpu time spent up to now is 2.1 secs Computing kpt #: 10 total cpu time spent up to now is 2.2 secs Computing kpt #: 11 total cpu time spent up to now is 2.4 secs Computing kpt #: 12 total cpu time spent up to now is 2.5 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.3 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.3 secs Computing kpt #: 26 total cpu time spent up to now is 5.7 secs Computing kpt #: 27 total cpu time spent up to now is 5.8 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.3 secs Computing kpt #: 30 total cpu time spent up to now is 6.5 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 7.0 secs Computing kpt #: 33 total cpu time spent up to now is 7.3 secs Computing kpt #: 34 total cpu time spent up to now is 7.5 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.0 secs Computing kpt #: 36 total cpu time spent up to now is 8.2 secs Computing kpt #: 37 total cpu time spent up to now is 8.3 secs Computing kpt #: 38 total cpu time spent up to now is 8.5 secs Computing kpt #: 39 total cpu time spent up to now is 8.6 secs Computing kpt #: 40 total cpu time spent up to now is 8.8 secs Computing kpt #: 41 total cpu time spent up to now is 8.9 secs Computing kpt #: 42 total cpu time spent up to now is 9.1 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.4 secs Computing kpt #: 45 total cpu time spent up to now is 9.5 secs Computing kpt #: 46 total cpu time spent up to now is 9.7 secs Computing kpt #: 47 total cpu time spent up to now is 9.8 secs Computing kpt #: 48 total cpu time spent up to now is 9.9 secs Computing kpt #: 49 total cpu time spent up to now is 10.1 secs Computing kpt #: 50 total cpu time spent up to now is 10.2 secs Computing kpt #: 51 total cpu time spent up to now is 10.4 secs Computing kpt #: 52 total cpu time spent up to now is 10.5 secs Computing kpt #: 53 total cpu time spent up to now is 10.6 secs Computing kpt #: 54 total cpu time spent up to now is 10.7 secs Computing kpt #: 55 total cpu time spent up to now is 10.9 secs Computing kpt #: 56 total cpu time spent up to now is 11.0 secs Computing kpt #: 57 total cpu time spent up to now is 11.1 secs Computing kpt #: 58 total cpu time spent up to now is 11.3 secs Computing kpt #: 59 total cpu time spent up to now is 11.4 secs Computing kpt #: 60 total cpu time spent up to now is 11.5 secs Computing kpt #: 61 total cpu time spent up to now is 11.6 secs Computing kpt #: 62 total cpu time spent up to now is 11.7 secs Computing kpt #: 63 total cpu time spent up to now is 11.9 secs Computing kpt #: 64 total cpu time spent up to now is 12.0 secs Computing kpt #: 65 total cpu time spent up to now is 12.1 secs Computing kpt #: 66 total cpu time spent up to now is 12.2 secs Computing kpt #: 67 total cpu time spent up to now is 12.3 secs Computing kpt #: 68 total cpu time spent up to now is 12.4 secs Computing kpt #: 69 total cpu time spent up to now is 12.6 secs Computing kpt #: 70 total cpu time spent up to now is 12.7 secs Computing kpt #: 71 total cpu time spent up to now is 12.8 secs Computing kpt #: 72 total cpu time spent up to now is 12.9 secs Computing kpt #: 73 total cpu time spent up to now is 13.0 secs Computing kpt #: 74 total cpu time spent up to now is 13.1 secs Computing kpt #: 75 total cpu time spent up to now is 13.2 secs Computing kpt #: 76 total cpu time spent up to now is 13.4 secs Computing kpt #: 77 total cpu time spent up to now is 13.5 secs Computing kpt #: 78 total cpu time spent up to now is 13.6 secs Computing kpt #: 79 total cpu time spent up to now is 13.7 secs Computing kpt #: 80 total cpu time spent up to now is 13.8 secs Computing kpt #: 81 total cpu time spent up to now is 13.9 secs Computing kpt #: 82 total cpu time spent up to now is 14.1 secs Computing kpt #: 83 total cpu time spent up to now is 14.2 secs Computing kpt #: 84 total cpu time spent up to now is 14.3 secs Computing kpt #: 85 total cpu time spent up to now is 14.4 secs Computing kpt #: 86 total cpu time spent up to now is 14.5 secs Computing kpt #: 87 total cpu time spent up to now is 14.6 secs Computing kpt #: 88 total cpu time spent up to now is 14.7 secs Computing kpt #: 89 total cpu time spent up to now is 14.8 secs Computing kpt #: 90 total cpu time spent up to now is 15.0 secs Computing kpt #: 91 total cpu time spent up to now is 15.1 secs Computing kpt #: 92 total cpu time spent up to now is 15.2 secs Computing kpt #: 93 total cpu time spent up to now is 15.3 secs Computing kpt #: 94 total cpu time spent up to now is 15.4 secs Computing kpt #: 95 total cpu time spent up to now is 15.5 secs Computing kpt #: 96 total cpu time spent up to now is 15.6 secs Computing kpt #: 97 total cpu time spent up to now is 15.7 secs Computing kpt #: 98 total cpu time spent up to now is 15.8 secs Computing kpt #: 99 total cpu time spent up to now is 15.9 secs Computing kpt #: 100 total cpu time spent up to now is 16.1 secs Computing kpt #: 101 total cpu time spent up to now is 16.2 secs Computing kpt #: 102 total cpu time spent up to now is 16.3 secs Computing kpt #: 103 total cpu time spent up to now is 16.4 secs Computing kpt #: 104 total cpu time spent up to now is 16.5 secs Computing kpt #: 105 total cpu time spent up to now is 16.6 secs Computing kpt #: 106 total cpu time spent up to now is 16.7 secs Computing kpt #: 107 total cpu time spent up to now is 16.8 secs Computing kpt #: 108 total cpu time spent up to now is 16.9 secs Computing kpt #: 109 total cpu time spent up to now is 17.0 secs Computing kpt #: 110 total cpu time spent up to now is 17.1 secs Computing kpt #: 111 total cpu time spent up to now is 17.2 secs Computing kpt #: 112 total cpu time spent up to now is 17.3 secs Computing kpt #: 113 total cpu time spent up to now is 17.4 secs Computing kpt #: 114 total cpu time spent up to now is 17.5 secs Computing kpt #: 115 total cpu time spent up to now is 17.7 secs Computing kpt #: 116 total cpu time spent up to now is 17.8 secs Computing kpt #: 117 total cpu time spent up to now is 17.9 secs Computing kpt #: 118 total cpu time spent up to now is 18.0 secs Computing kpt #: 119 total cpu time spent up to now is 18.1 secs Computing kpt #: 120 total cpu time spent up to now is 18.2 secs Computing kpt #: 121 total cpu time spent up to now is 18.3 secs Computing kpt #: 122 total cpu time spent up to now is 18.4 secs Computing kpt #: 123 total cpu time spent up to now is 18.5 secs Computing kpt #: 124 total cpu time spent up to now is 18.6 secs Computing kpt #: 125 total cpu time spent up to now is 18.7 secs Computing kpt #: 126 total cpu time spent up to now is 18.8 secs Computing kpt #: 127 total cpu time spent up to now is 18.9 secs Computing kpt #: 128 total cpu time spent up to now is 19.1 secs Computing kpt #: 129 total cpu time spent up to now is 19.2 secs Computing kpt #: 130 total cpu time spent up to now is 19.3 secs Computing kpt #: 131 total cpu time spent up to now is 19.4 secs Computing kpt #: 132 total cpu time spent up to now is 19.5 secs Computing kpt #: 133 total cpu time spent up to now is 19.6 secs Computing kpt #: 134 total cpu time spent up to now is 19.7 secs Computing kpt #: 135 total cpu time spent up to now is 19.8 secs Computing kpt #: 136 total cpu time spent up to now is 19.9 secs Computing kpt #: 137 total cpu time spent up to now is 20.1 secs Computing kpt #: 138 total cpu time spent up to now is 20.2 secs Computing kpt #: 139 total cpu time spent up to now is 20.3 secs Computing kpt #: 140 total cpu time spent up to now is 20.4 secs Computing kpt #: 141 total cpu time spent up to now is 20.5 secs Computing kpt #: 142 total cpu time spent up to now is 20.6 secs Computing kpt #: 143 total cpu time spent up to now is 20.7 secs Computing kpt #: 144 total cpu time spent up to now is 20.9 secs Computing kpt #: 145 total cpu time spent up to now is 21.0 secs Computing kpt #: 146 total cpu time spent up to now is 21.1 secs Computing kpt #: 147 total cpu time spent up to now is 21.2 secs Computing kpt #: 148 total cpu time spent up to now is 21.3 secs Computing kpt #: 149 total cpu time spent up to now is 21.4 secs Computing kpt #: 150 total cpu time spent up to now is 21.6 secs Computing kpt #: 151 total cpu time spent up to now is 21.7 secs Computing kpt #: 152 total cpu time spent up to now is 21.8 secs Computing kpt #: 153 total cpu time spent up to now is 21.9 secs Computing kpt #: 154 total cpu time spent up to now is 22.1 secs Computing kpt #: 155 total cpu time spent up to now is 22.2 secs Computing kpt #: 156 total cpu time spent up to now is 22.3 secs Computing kpt #: 157 total cpu time spent up to now is 22.5 secs Computing kpt #: 158 total cpu time spent up to now is 22.6 secs Computing kpt #: 159 total cpu time spent up to now is 22.8 secs Computing kpt #: 160 total cpu time spent up to now is 22.9 secs Computing kpt #: 161 total cpu time spent up to now is 23.1 secs Computing kpt #: 162 total cpu time spent up to now is 23.2 secs Computing kpt #: 163 total cpu time spent up to now is 23.4 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.9 secs Computing kpt #: 165 total cpu time spent up to now is 24.4 secs Computing kpt #: 166 total cpu time spent up to now is 24.7 secs Computing kpt #: 167 total cpu time spent up to now is 24.9 secs Computing kpt #: 168 total cpu time spent up to now is 25.1 secs Computing kpt #: 169 total cpu time spent up to now is 25.3 secs Computing kpt #: 170 total cpu time spent up to now is 25.6 secs Computing kpt #: 171 total cpu time spent up to now is 25.9 secs Computing kpt #: 172 total cpu time spent up to now is 26.3 secs Computing kpt #: 173 total cpu time spent up to now is 26.8 secs Computing kpt #: 174 total cpu time spent up to now is 27.0 secs Computing kpt #: 175 total cpu time spent up to now is 27.1 secs Computing kpt #: 176 total cpu time spent up to now is 27.3 secs Computing kpt #: 177 total cpu time spent up to now is 27.4 secs Computing kpt #: 178 total cpu time spent up to now is 27.6 secs Computing kpt #: 179 total cpu time spent up to now is 27.7 secs Computing kpt #: 180 total cpu time spent up to now is 27.9 secs Computing kpt #: 181 total cpu time spent up to now is 28.1 secs Computing kpt #: 182 total cpu time spent up to now is 28.2 secs Computing kpt #: 183 total cpu time spent up to now is 28.4 secs Computing kpt #: 184 total cpu time spent up to now is 28.5 secs Computing kpt #: 185 total cpu time spent up to now is 28.7 secs Computing kpt #: 186 total cpu time spent up to now is 28.8 secs Computing kpt #: 187 total cpu time spent up to now is 28.9 secs Computing kpt #: 188 total cpu time spent up to now is 29.1 secs Computing kpt #: 189 total cpu time spent up to now is 29.2 secs Computing kpt #: 190 total cpu time spent up to now is 29.4 secs Computing kpt #: 191 total cpu time spent up to now is 29.5 secs Computing kpt #: 192 total cpu time spent up to now is 29.7 secs Computing kpt #: 193 total cpu time spent up to now is 29.8 secs Computing kpt #: 194 total cpu time spent up to now is 30.0 secs Computing kpt #: 195 total cpu time spent up to now is 30.1 secs Computing kpt #: 196 total cpu time spent up to now is 30.3 secs Computing kpt #: 197 total cpu time spent up to now is 30.4 secs Computing kpt #: 198 total cpu time spent up to now is 30.6 secs Computing kpt #: 199 total cpu time spent up to now is 30.7 secs Computing kpt #: 200 total cpu time spent up to now is 30.9 secs Computing kpt #: 201 total cpu time spent up to now is 31.0 secs Computing kpt #: 202 total cpu time spent up to now is 31.2 secs Computing kpt #: 203 total cpu time spent up to now is 31.3 secs Computing kpt #: 204 total cpu time spent up to now is 31.5 secs Computing kpt #: 205 total cpu time spent up to now is 31.6 secs Computing kpt #: 206 total cpu time spent up to now is 31.8 secs Computing kpt #: 207 total cpu time spent up to now is 31.9 secs Computing kpt #: 208 total cpu time spent up to now is 32.1 secs Computing kpt #: 209 total cpu time spent up to now is 32.3 secs Computing kpt #: 210 total cpu time spent up to now is 32.4 secs Computing kpt #: 211 total cpu time spent up to now is 32.6 secs Computing kpt #: 212 total cpu time spent up to now is 32.7 secs Computing kpt #: 213 total cpu time spent up to now is 32.9 secs Computing kpt #: 214 total cpu time spent up to now is 33.0 secs Computing kpt #: 215 total cpu time spent up to now is 33.2 secs Computing kpt #: 216 total cpu time spent up to now is 33.3 secs Computing kpt #: 217 total cpu time spent up to now is 33.4 secs Computing kpt #: 218 total cpu time spent up to now is 33.6 secs Computing kpt #: 219 total cpu time spent up to now is 33.7 secs Computing kpt #: 220 total cpu time spent up to now is 33.8 secs Computing kpt #: 221 total cpu time spent up to now is 34.0 secs Computing kpt #: 222 total cpu time spent up to now is 34.1 secs Computing kpt #: 223 total cpu time spent up to now is 34.2 secs Computing kpt #: 224 total cpu time spent up to now is 34.4 secs Computing kpt #: 225 total cpu time spent up to now is 34.5 secs Computing kpt #: 226 total cpu time spent up to now is 34.6 secs Computing kpt #: 227 total cpu time spent up to now is 34.8 secs Computing kpt #: 228 total cpu time spent up to now is 34.9 secs Computing kpt #: 229 total cpu time spent up to now is 35.0 secs Computing kpt #: 230 total cpu time spent up to now is 35.2 secs Computing kpt #: 231 total cpu time spent up to now is 35.3 secs Computing kpt #: 232 total cpu time spent up to now is 35.4 secs Computing kpt #: 233 total cpu time spent up to now is 35.6 secs Computing kpt #: 234 total cpu time spent up to now is 35.7 secs Computing kpt #: 235 total cpu time spent up to now is 35.8 secs Computing kpt #: 236 total cpu time spent up to now is 36.0 secs Computing kpt #: 237 total cpu time spent up to now is 36.1 secs Computing kpt #: 238 total cpu time spent up to now is 36.2 secs Computing kpt #: 239 total cpu time spent up to now is 36.3 secs Computing kpt #: 240 total cpu time spent up to now is 36.5 secs Computing kpt #: 241 total cpu time spent up to now is 36.6 secs Computing kpt #: 242 total cpu time spent up to now is 36.7 secs Computing kpt #: 243 total cpu time spent up to now is 36.9 secs Computing kpt #: 244 total cpu time spent up to now is 37.0 secs Computing kpt #: 245 total cpu time spent up to now is 37.1 secs Computing kpt #: 246 total cpu time spent up to now is 37.3 secs Computing kpt #: 247 total cpu time spent up to now is 37.4 secs Computing kpt #: 248 total cpu time spent up to now is 37.5 secs Computing kpt #: 249 total cpu time spent up to now is 37.6 secs Computing kpt #: 250 total cpu time spent up to now is 37.8 secs Computing kpt #: 251 total cpu time spent up to now is 37.9 secs Computing kpt #: 252 total cpu time spent up to now is 38.0 secs Computing kpt #: 253 total cpu time spent up to now is 38.2 secs Computing kpt #: 254 total cpu time spent up to now is 38.3 secs Computing kpt #: 255 total cpu time spent up to now is 38.4 secs Computing kpt #: 256 total cpu time spent up to now is 38.5 secs Computing kpt #: 257 total cpu time spent up to now is 38.7 secs Computing kpt #: 258 total cpu time spent up to now is 38.8 secs Computing kpt #: 259 total cpu time spent up to now is 38.9 secs Computing kpt #: 260 total cpu time spent up to now is 39.0 secs Computing kpt #: 261 total cpu time spent up to now is 39.2 secs Computing kpt #: 262 total cpu time spent up to now is 39.3 secs Computing kpt #: 263 total cpu time spent up to now is 39.4 secs Computing kpt #: 264 total cpu time spent up to now is 39.5 secs Computing kpt #: 265 total cpu time spent up to now is 39.7 secs Computing kpt #: 266 total cpu time spent up to now is 39.8 secs Computing kpt #: 267 total cpu time spent up to now is 39.9 secs Computing kpt #: 268 total cpu time spent up to now is 40.0 secs Computing kpt #: 269 total cpu time spent up to now is 40.1 secs Computing kpt #: 270 total cpu time spent up to now is 40.2 secs Computing kpt #: 271 total cpu time spent up to now is 40.4 secs Computing kpt #: 272 total cpu time spent up to now is 40.5 secs Computing kpt #: 273 total cpu time spent up to now is 40.6 secs Computing kpt #: 274 total cpu time spent up to now is 40.7 secs Computing kpt #: 275 total cpu time spent up to now is 40.8 secs Computing kpt #: 276 total cpu time spent up to now is 41.0 secs Computing kpt #: 277 total cpu time spent up to now is 41.1 secs Computing kpt #: 278 total cpu time spent up to now is 41.2 secs Computing kpt #: 279 total cpu time spent up to now is 41.3 secs Computing kpt #: 280 total cpu time spent up to now is 41.4 secs Computing kpt #: 281 total cpu time spent up to now is 41.5 secs Computing kpt #: 282 total cpu time spent up to now is 41.6 secs Computing kpt #: 283 total cpu time spent up to now is 41.8 secs Computing kpt #: 284 total cpu time spent up to now is 41.9 secs Computing kpt #: 285 total cpu time spent up to now is 42.0 secs Computing kpt #: 286 total cpu time spent up to now is 42.1 secs Computing kpt #: 287 total cpu time spent up to now is 42.2 secs Computing kpt #: 288 total cpu time spent up to now is 42.3 secs Computing kpt #: 289 total cpu time spent up to now is 42.4 secs Computing kpt #: 290 total cpu time spent up to now is 42.5 secs Computing kpt #: 291 total cpu time spent up to now is 42.7 secs Computing kpt #: 292 total cpu time spent up to now is 42.8 secs Computing kpt #: 293 total cpu time spent up to now is 42.9 secs Computing kpt #: 294 total cpu time spent up to now is 43.0 secs Computing kpt #: 295 total cpu time spent up to now is 43.1 secs Computing kpt #: 296 total cpu time spent up to now is 43.2 secs Computing kpt #: 297 total cpu time spent up to now is 43.3 secs Computing kpt #: 298 total cpu time spent up to now is 43.5 secs Computing kpt #: 299 total cpu time spent up to now is 43.6 secs Computing kpt #: 300 total cpu time spent up to now is 43.7 secs Computing kpt #: 301 total cpu time spent up to now is 43.8 secs Computing kpt #: 302 total cpu time spent up to now is 43.9 secs Computing kpt #: 303 total cpu time spent up to now is 44.0 secs Computing kpt #: 304 total cpu time spent up to now is 44.1 secs Computing kpt #: 305 total cpu time spent up to now is 44.3 secs Computing kpt #: 306 total cpu time spent up to now is 44.4 secs Computing kpt #: 307 total cpu time spent up to now is 44.5 secs Computing kpt #: 308 total cpu time spent up to now is 44.6 secs Computing kpt #: 309 total cpu time spent up to now is 44.7 secs Computing kpt #: 310 total cpu time spent up to now is 44.8 secs Computing kpt #: 311 total cpu time spent up to now is 44.9 secs Computing kpt #: 312 total cpu time spent up to now is 45.1 secs Computing kpt #: 313 total cpu time spent up to now is 45.2 secs Computing kpt #: 314 total cpu time spent up to now is 45.3 secs Computing kpt #: 315 total cpu time spent up to now is 45.4 secs Computing kpt #: 316 total cpu time spent up to now is 45.5 secs Computing kpt #: 317 total cpu time spent up to now is 45.6 secs Computing kpt #: 318 total cpu time spent up to now is 45.7 secs Computing kpt #: 319 total cpu time spent up to now is 45.8 secs Computing kpt #: 320 total cpu time spent up to now is 46.0 secs Computing kpt #: 321 total cpu time spent up to now is 46.1 secs Computing kpt #: 322 total cpu time spent up to now is 46.2 secs Computing kpt #: 323 total cpu time spent up to now is 46.3 secs Computing kpt #: 324 total cpu time spent up to now is 46.4 secs Computing kpt #: 325 total cpu time spent up to now is 46.5 secs Computing kpt #: 326 total cpu time spent up to now is 46.6 secs Computing kpt #: 327 total cpu time spent up to now is 46.8 secs Computing kpt #: 328 total cpu time spent up to now is 46.9 secs Computing kpt #: 329 total cpu time spent up to now is 47.0 secs Computing kpt #: 330 total cpu time spent up to now is 47.1 secs Computing kpt #: 331 total cpu time spent up to now is 47.2 secs Computing kpt #: 332 total cpu time spent up to now is 47.3 secs Computing kpt #: 333 total cpu time spent up to now is 47.5 secs Computing kpt #: 334 total cpu time spent up to now is 47.6 secs Computing kpt #: 335 total cpu time spent up to now is 47.7 secs Computing kpt #: 336 total cpu time spent up to now is 47.8 secs Computing kpt #: 337 total cpu time spent up to now is 47.9 secs Computing kpt #: 338 total cpu time spent up to now is 48.0 secs Computing kpt #: 339 total cpu time spent up to now is 48.1 secs Computing kpt #: 340 total cpu time spent up to now is 48.2 secs Computing kpt #: 341 total cpu time spent up to now is 48.4 secs Computing kpt #: 342 total cpu time spent up to now is 48.5 secs Computing kpt #: 343 total cpu time spent up to now is 48.6 secs Computing kpt #: 344 total cpu time spent up to now is 48.7 secs Computing kpt #: 345 total cpu time spent up to now is 48.8 secs Computing kpt #: 346 total cpu time spent up to now is 48.9 secs Computing kpt #: 347 total cpu time spent up to now is 49.1 secs Computing kpt #: 348 total cpu time spent up to now is 49.2 secs Computing kpt #: 349 total cpu time spent up to now is 49.3 secs Computing kpt #: 350 total cpu time spent up to now is 49.4 secs Computing kpt #: 351 total cpu time spent up to now is 49.5 secs Computing kpt #: 352 total cpu time spent up to now is 49.6 secs Computing kpt #: 353 total cpu time spent up to now is 49.7 secs Computing kpt #: 354 total cpu time spent up to now is 49.9 secs Computing kpt #: 355 total cpu time spent up to now is 50.0 secs Computing kpt #: 356 total cpu time spent up to now is 50.1 secs Computing kpt #: 357 total cpu time spent up to now is 50.2 secs Computing kpt #: 358 total cpu time spent up to now is 50.3 secs Computing kpt #: 359 total cpu time spent up to now is 50.4 secs Computing kpt #: 360 total cpu time spent up to now is 50.5 secs Computing kpt #: 361 total cpu time spent up to now is 50.7 secs Computing kpt #: 362 total cpu time spent up to now is 50.8 secs Computing kpt #: 363 total cpu time spent up to now is 50.9 secs Computing kpt #: 364 total cpu time spent up to now is 51.0 secs Computing kpt #: 365 total cpu time spent up to now is 51.1 secs Computing kpt #: 366 total cpu time spent up to now is 51.2 secs Computing kpt #: 367 total cpu time spent up to now is 51.3 secs Computing kpt #: 368 total cpu time spent up to now is 51.5 secs Computing kpt #: 369 total cpu time spent up to now is 51.6 secs Computing kpt #: 370 total cpu time spent up to now is 51.7 secs Computing kpt #: 371 total cpu time spent up to now is 51.8 secs Computing kpt #: 372 total cpu time spent up to now is 51.9 secs Computing kpt #: 373 total cpu time spent up to now is 52.0 secs Computing kpt #: 374 total cpu time spent up to now is 52.2 secs Computing kpt #: 375 total cpu time spent up to now is 52.3 secs Computing kpt #: 376 total cpu time spent up to now is 52.4 secs Computing kpt #: 377 total cpu time spent up to now is 52.5 secs Computing kpt #: 378 total cpu time spent up to now is 52.6 secs Computing kpt #: 379 total cpu time spent up to now is 52.8 secs Computing kpt #: 380 total cpu time spent up to now is 52.9 secs Computing kpt #: 381 total cpu time spent up to now is 53.0 secs Computing kpt #: 382 total cpu time spent up to now is 53.1 secs Computing kpt #: 383 total cpu time spent up to now is 53.2 secs Computing kpt #: 384 total cpu time spent up to now is 53.4 secs Computing kpt #: 385 total cpu time spent up to now is 53.5 secs Computing kpt #: 386 total cpu time spent up to now is 53.6 secs Computing kpt #: 387 total cpu time spent up to now is 53.7 secs Computing kpt #: 388 total cpu time spent up to now is 53.9 secs Computing kpt #: 389 total cpu time spent up to now is 54.0 secs Computing kpt #: 390 total cpu time spent up to now is 54.1 secs Computing kpt #: 391 total cpu time spent up to now is 54.3 secs Computing kpt #: 392 total cpu time spent up to now is 54.4 secs Computing kpt #: 393 total cpu time spent up to now is 54.5 secs Computing kpt #: 394 total cpu time spent up to now is 54.6 secs Computing kpt #: 395 total cpu time spent up to now is 54.8 secs Computing kpt #: 396 total cpu time spent up to now is 54.9 secs Computing kpt #: 397 total cpu time spent up to now is 55.0 secs Computing kpt #: 398 total cpu time spent up to now is 55.2 secs Computing kpt #: 399 total cpu time spent up to now is 55.3 secs Computing kpt #: 400 total cpu time spent up to now is 55.5 secs Computing kpt #: 401 total cpu time spent up to now is 55.6 secs Computing kpt #: 402 total cpu time spent up to now is 55.7 secs Computing kpt #: 403 total cpu time spent up to now is 55.9 secs Computing kpt #: 404 total cpu time spent up to now is 56.0 secs Computing kpt #: 405 total cpu time spent up to now is 56.1 secs Computing kpt #: 406 total cpu time spent up to now is 56.3 secs Computing kpt #: 407 total cpu time spent up to now is 56.4 secs Computing kpt #: 408 total cpu time spent up to now is 56.5 secs Computing kpt #: 409 total cpu time spent up to now is 56.7 secs Computing kpt #: 410 total cpu time spent up to now is 56.8 secs Computing kpt #: 411 total cpu time spent up to now is 56.9 secs Computing kpt #: 412 total cpu time spent up to now is 57.1 secs Computing kpt #: 413 total cpu time spent up to now is 57.2 secs Computing kpt #: 414 total cpu time spent up to now is 57.3 secs Computing kpt #: 415 total cpu time spent up to now is 57.5 secs Computing kpt #: 416 total cpu time spent up to now is 57.6 secs Computing kpt #: 417 total cpu time spent up to now is 57.7 secs Computing kpt #: 418 total cpu time spent up to now is 57.9 secs Computing kpt #: 419 total cpu time spent up to now is 58.0 secs Computing kpt #: 420 total cpu time spent up to now is 58.1 secs Computing kpt #: 421 total cpu time spent up to now is 58.2 secs Computing kpt #: 422 total cpu time spent up to now is 58.3 secs Computing kpt #: 423 total cpu time spent up to now is 58.5 secs Computing kpt #: 424 total cpu time spent up to now is 58.6 secs Computing kpt #: 425 total cpu time spent up to now is 58.7 secs Computing kpt #: 426 total cpu time spent up to now is 58.8 secs Computing kpt #: 427 total cpu time spent up to now is 58.9 secs Computing kpt #: 428 total cpu time spent up to now is 59.0 secs Computing kpt #: 429 total cpu time spent up to now is 59.2 secs Computing kpt #: 430 total cpu time spent up to now is 59.3 secs Computing kpt #: 431 total cpu time spent up to now is 59.4 secs Computing kpt #: 432 total cpu time spent up to now is 59.5 secs Computing kpt #: 433 total cpu time spent up to now is 59.6 secs Computing kpt #: 434 total cpu time spent up to now is 59.8 secs Computing kpt #: 435 total cpu time spent up to now is 59.9 secs Computing kpt #: 436 total cpu time spent up to now is 60.0 secs Computing kpt #: 437 total cpu time spent up to now is 60.1 secs Computing kpt #: 438 total cpu time spent up to now is 60.2 secs Computing kpt #: 439 total cpu time spent up to now is 60.4 secs Computing kpt #: 440 total cpu time spent up to now is 60.5 secs Computing kpt #: 441 total cpu time spent up to now is 60.6 secs Computing kpt #: 442 total cpu time spent up to now is 60.7 secs Computing kpt #: 443 total cpu time spent up to now is 60.8 secs Computing kpt #: 444 total cpu time spent up to now is 61.0 secs Computing kpt #: 445 total cpu time spent up to now is 61.1 secs Computing kpt #: 446 total cpu time spent up to now is 61.2 secs Computing kpt #: 447 total cpu time spent up to now is 61.3 secs Computing kpt #: 448 total cpu time spent up to now is 61.4 secs Computing kpt #: 449 total cpu time spent up to now is 61.5 secs Computing kpt #: 450 total cpu time spent up to now is 61.6 secs Computing kpt #: 451 total cpu time spent up to now is 61.7 secs Computing kpt #: 452 total cpu time spent up to now is 61.8 secs Computing kpt #: 453 total cpu time spent up to now is 61.9 secs Computing kpt #: 454 total cpu time spent up to now is 62.0 secs Computing kpt #: 455 total cpu time spent up to now is 62.1 secs Computing kpt #: 456 total cpu time spent up to now is 62.3 secs Computing kpt #: 457 total cpu time spent up to now is 62.4 secs Computing kpt #: 458 total cpu time spent up to now is 62.5 secs Computing kpt #: 459 total cpu time spent up to now is 62.6 secs Computing kpt #: 460 total cpu time spent up to now is 62.7 secs Computing kpt #: 461 total cpu time spent up to now is 62.8 secs Computing kpt #: 462 total cpu time spent up to now is 62.9 secs Computing kpt #: 463 total cpu time spent up to now is 63.1 secs Computing kpt #: 464 total cpu time spent up to now is 63.2 secs Computing kpt #: 465 total cpu time spent up to now is 63.3 secs Computing kpt #: 466 total cpu time spent up to now is 63.4 secs Computing kpt #: 467 total cpu time spent up to now is 63.5 secs Computing kpt #: 468 total cpu time spent up to now is 63.6 secs Computing kpt #: 469 total cpu time spent up to now is 63.7 secs ethr = 4.17E-08, avg # of iterations = 20.3 total cpu time spent up to now is 63.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1383 PWs) bands (ev): -24.0896 -24.0896 -23.9493 -23.9493 -11.1915 -11.1915 -9.3177 -9.3177 -5.2853 -5.2853 -2.3032 -2.3032 -1.4101 -1.4101 -1.3834 -1.3834 -1.2914 -1.2914 -1.2645 -1.2645 5.8755 5.8755 5.9087 5.9087 6.1512 6.1512 6.1853 6.1853 13.4579 13.4579 15.0805 15.0805 k = 0.0070 0.0041-0.0000 ( 1383 PWs) bands (ev): -24.0892 -24.0892 -23.9490 -23.9490 -11.1908 -11.1908 -9.3173 -9.3173 -5.2850 -5.2850 -2.3037 -2.3037 -1.4110 -1.4110 -1.3844 -1.3844 -1.2923 -1.2923 -1.2654 -1.2654 5.8744 5.8744 5.9077 5.9077 6.1503 6.1503 6.1844 6.1844 13.4588 13.4588 15.0833 15.0833 k = 0.0141 0.0081-0.0000 ( 1377 PWs) bands (ev): -24.0881 -24.0881 -23.9480 -23.9480 -11.1888 -11.1888 -9.3162 -9.3162 -5.2841 -5.2841 -2.3051 -2.3051 -1.4140 -1.4140 -1.3872 -1.3872 -1.2952 -1.2952 -1.2680 -1.2680 5.8712 5.8712 5.9047 5.9047 6.1477 6.1477 6.1821 6.1821 13.4616 13.4616 15.0917 15.0917 k = 0.0211 0.0122-0.0000 ( 1379 PWs) bands (ev): -24.0863 -24.0863 -23.9463 -23.9463 -11.1855 -11.1855 -9.3144 -9.3144 -5.2827 -5.2827 -2.3074 -2.3074 -1.4193 -1.4193 -1.3915 -1.3915 -1.3005 -1.3005 -1.2719 -1.2719 5.8655 5.8655 5.9000 5.9000 6.1426 6.1426 6.1787 6.1787 13.4663 13.4663 15.1058 15.1058 k = 0.0282 0.0163-0.0000 ( 1383 PWs) bands (ev): -24.0838 -24.0838 -23.9440 -23.9440 -11.1808 -11.1808 -9.3118 -9.3118 -5.2808 -5.2808 -2.3108 -2.3108 -1.4275 -1.4275 -1.3968 -1.3968 -1.3087 -1.3087 -1.2763 -1.2763 5.8567 5.8567 5.8943 5.8943 6.1345 6.1345 6.1749 6.1749 13.4728 13.4728 15.1253 15.1253 k = 0.0352 0.0203-0.0000 ( 1385 PWs) bands (ev): -24.0805 -24.0805 -23.9410 -23.9410 -11.1748 -11.1748 -9.3085 -9.3085 -5.2783 -5.2783 -2.3152 -2.3152 -1.4387 -1.4387 -1.4028 -1.4028 -1.3202 -1.3202 -1.2811 -1.2811 5.8445 5.8445 5.8879 5.8879 6.1230 6.1230 6.1713 6.1713 13.4811 13.4811 15.1504 15.1504 k = 0.0423 0.0244-0.0000 ( 1381 PWs) bands (ev): -24.0765 -24.0765 -23.9374 -23.9374 -11.1675 -11.1675 -9.3046 -9.3046 -5.2752 -5.2752 -2.3207 -2.3207 -1.4529 -1.4529 -1.4091 -1.4091 -1.3350 -1.3350 -1.2860 -1.2860 5.8286 5.8286 5.8811 5.8811 6.1079 6.1079 6.1679 6.1679 13.4913 13.4913 15.1809 15.1809 k = 0.0493 0.0285-0.0000 ( 1381 PWs) bands (ev): -24.0718 -24.0718 -23.9331 -23.9331 -11.1588 -11.1588 -9.2999 -9.2999 -5.2716 -5.2716 -2.3274 -2.3274 -1.4701 -1.4701 -1.4160 -1.4160 -1.3528 -1.3528 -1.2911 -1.2911 5.8091 5.8091 5.8740 5.8740 6.0894 6.0894 6.1648 6.1648 13.5032 13.5032 15.2167 15.2167 k = 0.0563 0.0325-0.0000 ( 1385 PWs) bands (ev): -24.0664 -24.0664 -23.9281 -23.9281 -11.1488 -11.1488 -9.2945 -9.2945 -5.2675 -5.2675 -2.3354 -2.3354 -1.4900 -1.4900 -1.4235 -1.4235 -1.3734 -1.3734 -1.2966 -1.2966 5.7862 5.7862 5.8663 5.8663 6.0676 6.0676 6.1617 6.1617 13.5169 13.5169 15.2578 15.2578 k = 0.0634 0.0366-0.0000 ( 1389 PWs) bands (ev): -24.0604 -24.0604 -23.9226 -23.9226 -11.1376 -11.1376 -9.2885 -9.2885 -5.2629 -5.2629 -2.3448 -2.3448 -1.5124 -1.5124 -1.4319 -1.4319 -1.3966 -1.3966 -1.3025 -1.3025 5.7597 5.7597 5.8582 5.8582 6.0429 6.0429 6.1585 6.1585 13.5324 13.5324 15.3040 15.3040 k = 0.0704 0.0407-0.0000 ( 1393 PWs) bands (ev): -24.0536 -24.0536 -23.9164 -23.9164 -11.1250 -11.1250 -9.2817 -9.2817 -5.2579 -5.2579 -2.3557 -2.3557 -1.5370 -1.5370 -1.4416 -1.4416 -1.4215 -1.4215 -1.3090 -1.3090 5.7302 5.7302 5.8494 5.8494 6.0153 6.0153 6.1551 6.1551 13.5496 13.5496 15.3552 15.3552 k = 0.0775 0.0447-0.0000 ( 1393 PWs) bands (ev): -24.0462 -24.0462 -23.9096 -23.9096 -11.1112 -11.1112 -9.2743 -9.2743 -5.2523 -5.2523 -2.3683 -2.3683 -1.5636 -1.5636 -1.4567 -1.4567 -1.4439 -1.4439 -1.3159 -1.3159 5.6976 5.6976 5.8400 5.8400 5.9851 5.9851 6.1516 6.1516 13.5684 13.5684 15.4113 15.4113 k = 0.0845 0.0488-0.0000 ( 1395 PWs) bands (ev): -24.0381 -24.0381 -23.9022 -23.9022 -11.0961 -11.0961 -9.2663 -9.2663 -5.2464 -5.2464 -2.3828 -2.3828 -1.5920 -1.5920 -1.4835 -1.4835 -1.4571 -1.4571 -1.3234 -1.3234 5.6619 5.6619 5.8299 5.8299 5.9524 5.9524 6.1478 6.1478 13.5889 13.5889 15.4721 15.4721 k = 0.0915 0.0529-0.0000 ( 1385 PWs) bands (ev): -24.0294 -24.0294 -23.8942 -23.8942 -11.0797 -11.0797 -9.2576 -9.2576 -5.2400 -5.2400 -2.3993 -2.3993 -1.6221 -1.6221 -1.5146 -1.5146 -1.4685 -1.4685 -1.3314 -1.3314 5.6235 5.6235 5.8192 5.8192 5.9175 5.9175 6.1438 6.1438 13.6110 13.6110 15.5373 15.5373 k = 0.0986 0.0569-0.0000 ( 1389 PWs) bands (ev): -24.0200 -24.0200 -23.8857 -23.8857 -11.0621 -11.0621 -9.2483 -9.2483 -5.2332 -5.2332 -2.4181 -2.4181 -1.6538 -1.6538 -1.5475 -1.5475 -1.4800 -1.4800 -1.3400 -1.3400 5.5821 5.5821 5.8076 5.8076 5.8802 5.8802 6.1394 6.1394 13.6346 13.6346 15.6069 15.6069 k = 0.1056 0.0610-0.0000 ( 1387 PWs) bands (ev): -24.0101 -24.0101 -23.8766 -23.8766 -11.0433 -11.0433 -9.2385 -9.2385 -5.2261 -5.2261 -2.4393 -2.4393 -1.6869 -1.6869 -1.5814 -1.5814 -1.4921 -1.4921 -1.3491 -1.3491 5.5381 5.5381 5.7949 5.7949 5.8413 5.8413 6.1347 6.1347 13.6598 13.6598 15.6805 15.6805 k = 0.1127 0.0651-0.0000 ( 1383 PWs) bands (ev): -23.9995 -23.9995 -23.8669 -23.8669 -11.0233 -11.0233 -9.2280 -9.2280 -5.2187 -5.2187 -2.4632 -2.4632 -1.7216 -1.7216 -1.6157 -1.6157 -1.5047 -1.5047 -1.3587 -1.3587 5.4914 5.4914 5.7791 5.7791 5.8030 5.8030 6.1297 6.1297 13.6865 13.6865 15.7578 15.7578 k = 0.1197 0.0691-0.0000 ( 1387 PWs) bands (ev): -23.9883 -23.9883 -23.8567 -23.8567 -11.0020 -11.0020 -9.2171 -9.2171 -5.2109 -5.2109 -2.4900 -2.4900 -1.7579 -1.7579 -1.6498 -1.6498 -1.5179 -1.5179 -1.3688 -1.3688 5.4422 5.4422 5.7487 5.7487 5.7768 5.7768 6.1244 6.1244 13.7145 13.7145 15.8383 15.8383 k = 0.1268 0.0732-0.0000 ( 1383 PWs) bands (ev): -23.9765 -23.9765 -23.8460 -23.8460 -10.9797 -10.9797 -9.2055 -9.2055 -5.2030 -5.2030 -2.5199 -2.5199 -1.7959 -1.7959 -1.6831 -1.6831 -1.5316 -1.5316 -1.3794 -1.3794 5.3908 5.3908 5.7053 5.7053 5.7611 5.7611 6.1189 6.1189 13.7440 13.7440 15.9216 15.9216 k = 0.1338 0.0773-0.0000 ( 1377 PWs) bands (ev): -23.9642 -23.9642 -23.8347 -23.8347 -10.9561 -10.9561 -9.1935 -9.1935 -5.1948 -5.1948 -2.5529 -2.5529 -1.8358 -1.8358 -1.7151 -1.7151 -1.5459 -1.5459 -1.3905 -1.3905 5.3368 5.3368 5.6586 5.6586 5.7466 5.7466 6.1130 6.1130 13.7748 13.7748 16.0064 16.0064 k = 0.1408 0.0813-0.0000 ( 1381 PWs) bands (ev): -23.9514 -23.9514 -23.8230 -23.8230 -10.9315 -10.9315 -9.1811 -9.1811 -5.1865 -5.1865 -2.5891 -2.5891 -1.8777 -1.8777 -1.7454 -1.7454 -1.5606 -1.5606 -1.4021 -1.4021 5.2807 5.2807 5.6099 5.6099 5.7320 5.7320 6.1067 6.1067 13.8070 13.8070 16.0914 16.0914 k = 0.1479 0.0854-0.0000 ( 1381 PWs) bands (ev): -23.9380 -23.9380 -23.8109 -23.8109 -10.9057 -10.9057 -9.1682 -9.1682 -5.1780 -5.1780 -2.6286 -2.6286 -1.9214 -1.9214 -1.7736 -1.7736 -1.5758 -1.5758 -1.4140 -1.4140 5.2225 5.2225 5.5595 5.5595 5.7173 5.7173 6.1002 6.1002 13.8404 13.8404 16.1751 16.1751 k = 0.1549 0.0894-0.0000 ( 1381 PWs) bands (ev): -23.9242 -23.9242 -23.7983 -23.7983 -10.8789 -10.8789 -9.1548 -9.1548 -5.1695 -5.1695 -2.6713 -2.6713 -1.9667 -1.9667 -1.7996 -1.7996 -1.5914 -1.5914 -1.4264 -1.4264 5.1624 5.1624 5.5077 5.5077 5.7022 5.7022 6.0933 6.0933 13.8750 13.8750 16.2572 16.2573 k = 0.1620 0.0935-0.0000 ( 1381 PWs) bands (ev): -23.9099 -23.9099 -23.7853 -23.7853 -10.8510 -10.8510 -9.1411 -9.1411 -5.1610 -5.1610 -2.7171 -2.7171 -2.0135 -2.0135 -1.8236 -1.8236 -1.6074 -1.6074 -1.4392 -1.4392 5.1005 5.1005 5.4545 5.4545 5.6868 5.6868 6.0862 6.0862 13.9107 13.9107 16.3385 16.3385 k = 0.1690 0.0976-0.0000 ( 1377 PWs) bands (ev): -23.8951 -23.8951 -23.7719 -23.7719 -10.8222 -10.8222 -9.1271 -9.1271 -5.1525 -5.1525 -2.7659 -2.7659 -2.0614 -2.0614 -1.8456 -1.8456 -1.6238 -1.6238 -1.4523 -1.4523 5.0368 5.0368 5.4001 5.4001 5.6712 5.6712 6.0788 6.0788 13.9476 13.9476 16.4193 16.4193 k = 0.1761 0.1016-0.0000 ( 1381 PWs) bands (ev): -23.8799 -23.8799 -23.7581 -23.7581 -10.7923 -10.7923 -9.1127 -9.1127 -5.1442 -5.1442 -2.8175 -2.8175 -2.1101 -2.1101 -1.8658 -1.8658 -1.6404 -1.6404 -1.4657 -1.4657 4.9716 4.9716 5.3447 5.3447 5.6552 5.6552 6.0712 6.0712 13.9856 13.9856 16.4998 16.4998 k = 0.1831 0.1057-0.0000 ( 1377 PWs) bands (ev): -23.8643 -23.8643 -23.7440 -23.7440 -10.7615 -10.7615 -9.0981 -9.0981 -5.1359 -5.1359 -2.8717 -2.8717 -2.1595 -2.1595 -1.8842 -1.8842 -1.6574 -1.6574 -1.4795 -1.4795 4.9051 4.9051 5.2883 5.2883 5.6391 5.6391 6.0633 6.0633 14.0246 14.0246 16.5801 16.5801 k = 0.1901 0.1098-0.0000 ( 1377 PWs) bands (ev): -23.8484 -23.8484 -23.7296 -23.7296 -10.7297 -10.7297 -9.0832 -9.0832 -5.1280 -5.1280 -2.9282 -2.9282 -2.2091 -2.2091 -1.9012 -1.9012 -1.6746 -1.6746 -1.4935 -1.4935 4.8372 4.8372 5.2311 5.2311 5.6228 5.6228 6.0553 6.0553 14.0646 14.0646 16.6599 16.6599 k = 0.1972 0.1138-0.0000 ( 1385 PWs) bands (ev): -23.8321 -23.8321 -23.7149 -23.7149 -10.6971 -10.6971 -9.0681 -9.0681 -5.1203 -5.1203 -2.9868 -2.9868 -2.2589 -2.2589 -1.9169 -1.9169 -1.6921 -1.6921 -1.5077 -1.5077 4.7682 4.7682 5.1730 5.1730 5.6062 5.6062 6.0468 6.0468 14.1056 14.1056 16.7389 16.7389 k = 0.2042 0.1179-0.0000 ( 1381 PWs) bands (ev): -23.8155 -23.8155 -23.6999 -23.6999 -10.6636 -10.6636 -9.0529 -9.0529 -5.1130 -5.1130 -3.0472 -3.0472 -2.3085 -2.3085 -1.9313 -1.9313 -1.7097 -1.7097 -1.5222 -1.5222 4.6982 4.6982 5.1145 5.1145 5.5896 5.5896 6.0384 6.0384 14.1474 14.1474 16.8170 16.8170 k = 0.2113 0.1220-0.0000 ( 1381 PWs) bands (ev): -23.7986 -23.7986 -23.6847 -23.6847 -10.6294 -10.6294 -9.0375 -9.0375 -5.1061 -5.1061 -3.1093 -3.1093 -2.3578 -2.3578 -1.9447 -1.9447 -1.7275 -1.7275 -1.5368 -1.5368 4.6273 4.6273 5.0553 5.0553 5.5729 5.5729 6.0297 6.0297 14.1901 14.1901 16.8937 16.8937 k = 0.2183 0.1260-0.0000 ( 1385 PWs) bands (ev): -23.7815 -23.7815 -23.6693 -23.6693 -10.5943 -10.5943 -9.0221 -9.0221 -5.0997 -5.0997 -3.1726 -3.1726 -2.4066 -2.4066 -1.9573 -1.9573 -1.7454 -1.7454 -1.5516 -1.5516 4.5557 4.5557 4.9958 4.9958 5.5561 5.5561 6.0209 6.0209 14.2337 14.2337 16.9689 16.9689 k = 0.2254 0.1301-0.0000 ( 1381 PWs) bands (ev): -23.7641 -23.7641 -23.6537 -23.6537 -10.5585 -10.5585 -9.0066 -9.0066 -5.0938 -5.0938 -3.2371 -3.2371 -2.4545 -2.4545 -1.9690 -1.9690 -1.7633 -1.7633 -1.5664 -1.5664 4.4836 4.4836 4.9359 4.9359 5.5393 5.5393 6.0120 6.0120 14.2780 14.2780 17.0421 17.0421 k = 0.2324 0.1342-0.0000 ( 1379 PWs) bands (ev): -23.7466 -23.7466 -23.6379 -23.6379 -10.5221 -10.5221 -8.9912 -8.9912 -5.0886 -5.0886 -3.3025 -3.3025 -2.5017 -2.5017 -1.9801 -1.9801 -1.7813 -1.7813 -1.5814 -1.5814 4.4110 4.4110 4.8758 4.8758 5.5225 5.5225 6.0029 6.0029 14.3230 14.3230 17.1131 17.1131 k = 0.2394 0.1382-0.0000 ( 1375 PWs) bands (ev): -23.7288 -23.7288 -23.6220 -23.6220 -10.4850 -10.4850 -8.9757 -8.9757 -5.0841 -5.0841 -3.3686 -3.3686 -2.5477 -2.5477 -1.9906 -1.9906 -1.7993 -1.7993 -1.5965 -1.5965 4.3382 4.3382 4.8156 4.8156 5.5057 5.5057 5.9938 5.9938 14.3687 14.3687 17.1804 17.1861 k = 0.2465 0.1423-0.0000 ( 1375 PWs) bands (ev): -23.7110 -23.7110 -23.6060 -23.6060 -10.4473 -10.4473 -8.9604 -8.9604 -5.0804 -5.0804 -3.4352 -3.4352 -2.5924 -2.5924 -2.0007 -2.0007 -1.8173 -1.8173 -1.6115 -1.6115 4.2652 4.2652 4.7555 4.7555 5.4889 5.4889 5.9846 5.9846 14.4150 14.4150 17.2014 17.2014 k = 0.2535 0.1464-0.0000 ( 1369 PWs) bands (ev): -23.6930 -23.6930 -23.5900 -23.5900 -10.4091 -10.4091 -8.9453 -8.9453 -5.0774 -5.0774 -3.5020 -3.5020 -2.6357 -2.6357 -2.0103 -2.0103 -1.8352 -1.8352 -1.6266 -1.6266 4.1922 4.1922 4.6954 4.6954 5.4722 5.4722 5.9754 5.9754 14.4619 14.4619 17.1972 17.1972 k = 0.2606 0.1504-0.0000 ( 1365 PWs) bands (ev): -23.6750 -23.6750 -23.5740 -23.5740 -10.3703 -10.3703 -8.9303 -8.9303 -5.0754 -5.0754 -3.5690 -3.5690 -2.6774 -2.6774 -2.0196 -2.0196 -1.8531 -1.8531 -1.6416 -1.6416 4.1194 4.1194 4.6356 4.6356 5.4557 5.4557 5.9661 5.9661 14.5094 14.5094 17.1919 17.1920 k = 0.2676 0.1545-0.0000 ( 1363 PWs) bands (ev): -23.6569 -23.6569 -23.5579 -23.5579 -10.3312 -10.3312 -8.9156 -8.9156 -5.0742 -5.0742 -3.6359 -3.6359 -2.7175 -2.7175 -2.0286 -2.0286 -1.8708 -1.8708 -1.6566 -1.6566 4.0469 4.0469 4.5760 4.5760 5.4392 5.4392 5.9568 5.9568 14.5573 14.5573 17.1859 17.1859 k = 0.2746 0.1586-0.0000 ( 1363 PWs) bands (ev): -23.6389 -23.6389 -23.5419 -23.5419 -10.2917 -10.2917 -8.9011 -8.9011 -5.0741 -5.0741 -3.7026 -3.7026 -2.7557 -2.7557 -2.0374 -2.0374 -1.8883 -1.8883 -1.6714 -1.6714 3.9747 3.9747 4.5169 4.5169 5.4230 5.4230 5.9476 5.9476 14.6056 14.6056 17.1791 17.1791 k = 0.2817 0.1626-0.0000 ( 1363 PWs) bands (ev): -23.6209 -23.6209 -23.5260 -23.5260 -10.2518 -10.2518 -8.8870 -8.8870 -5.0749 -5.0749 -3.7690 -3.7690 -2.7921 -2.7921 -2.0460 -2.0460 -1.9057 -1.9057 -1.6862 -1.6862 3.9031 3.9031 4.4582 4.4582 5.4069 5.4069 5.9384 5.9384 14.6544 14.6544 17.1715 17.1715 k = 0.2887 0.1667-0.0000 ( 1367 PWs) bands (ev): -23.6030 -23.6030 -23.5102 -23.5102 -10.2117 -10.2117 -8.8733 -8.8733 -5.0767 -5.0767 -3.8348 -3.8348 -2.8263 -2.8263 -2.0545 -2.0545 -1.9228 -1.9228 -1.7008 -1.7008 3.8322 3.8322 4.4002 4.4002 5.3910 5.3910 5.9293 5.9293 14.7034 14.7034 17.1633 17.1633 k = 0.2958 0.1708-0.0000 ( 1367 PWs) bands (ev): -23.5851 -23.5851 -23.4945 -23.4945 -10.1714 -10.1714 -8.8601 -8.8601 -5.0795 -5.0795 -3.9000 -3.9000 -2.8585 -2.8585 -2.0628 -2.0628 -1.9397 -1.9397 -1.7152 -1.7152 3.7622 3.7622 4.3429 4.3429 5.3754 5.3754 5.9202 5.9202 14.7527 14.7527 17.1543 17.1543 k = 0.3028 0.1748-0.0000 ( 1365 PWs) bands (ev): -23.5674 -23.5674 -23.4790 -23.4790 -10.1310 -10.1310 -8.8473 -8.8473 -5.0834 -5.0834 -3.9644 -3.9644 -2.8886 -2.8886 -2.0710 -2.0710 -1.9563 -1.9563 -1.7294 -1.7294 3.6930 3.6930 4.2864 4.2864 5.3601 5.3601 5.9112 5.9112 14.8022 14.8022 17.1446 17.1446 k = 0.3099 0.1789-0.0000 ( 1367 PWs) bands (ev): -23.5499 -23.5499 -23.4637 -23.4637 -10.0905 -10.0905 -8.8350 -8.8350 -5.0881 -5.0881 -4.0279 -4.0279 -2.9165 -2.9165 -2.0791 -2.0791 -1.9726 -1.9726 -1.7434 -1.7434 3.6250 3.6250 4.2308 4.2308 5.3451 5.3451 5.9023 5.9023 14.8519 14.8519 17.1341 17.1341 k = 0.3169 0.1830-0.0000 ( 1367 PWs) bands (ev): -23.5327 -23.5327 -23.4487 -23.4487 -10.0500 -10.0500 -8.8233 -8.8233 -5.0939 -5.0939 -4.0904 -4.0904 -2.9421 -2.9421 -2.0871 -2.0871 -1.9886 -1.9886 -1.7571 -1.7571 3.5582 3.5582 4.1762 4.1762 5.3304 5.3304 5.8935 5.8935 14.9016 14.9016 17.1229 17.1229 k = 0.3239 0.1870-0.0000 ( 1363 PWs) bands (ev): -23.5156 -23.5156 -23.4339 -23.4339 -10.0095 -10.0095 -8.8123 -8.8123 -5.1005 -5.1005 -4.1517 -4.1517 -2.9656 -2.9656 -2.0951 -2.0951 -2.0042 -2.0042 -1.7705 -1.7705 3.4927 3.4927 4.1228 4.1228 5.3160 5.3160 5.8849 5.8849 14.9514 14.9514 17.1110 17.1110 k = 0.3310 0.1911-0.0000 ( 1369 PWs) bands (ev): -23.4989 -23.4989 -23.4194 -23.4194 -9.9693 -9.9693 -8.8019 -8.8019 -5.1079 -5.1079 -4.2118 -4.2118 -2.9869 -2.9869 -2.1030 -2.1030 -2.0194 -2.0194 -1.7836 -1.7836 3.4287 3.4287 4.0706 4.0706 5.3021 5.3021 5.8765 5.8765 15.0010 15.0010 17.0983 17.0983 k = 0.3380 0.1952-0.0000 ( 1373 PWs) bands (ev): -23.4825 -23.4825 -23.4053 -23.4053 -9.9292 -9.9292 -8.7922 -8.7922 -5.1160 -5.1160 -4.2705 -4.2705 -3.0061 -3.0061 -2.1109 -2.1109 -2.0342 -2.0342 -1.7964 -1.7964 3.3662 3.3662 4.0196 4.0196 5.2884 5.2884 5.8683 5.8683 15.0506 15.0506 17.0849 17.0849 k = 0.3451 0.1992-0.0000 ( 1377 PWs) bands (ev): -23.4664 -23.4664 -23.3915 -23.3915 -9.8895 -9.8895 -8.7832 -8.7832 -5.1247 -5.1247 -4.3277 -4.3277 -3.0232 -3.0232 -2.1186 -2.1186 -2.0485 -2.0485 -1.8088 -1.8088 3.3055 3.3055 3.9700 3.9700 5.2753 5.2753 5.8603 5.8603 15.1000 15.1000 17.0707 17.0707 k = 0.3521 0.2033-0.0000 ( 1377 PWs) bands (ev): -23.4508 -23.4508 -23.3782 -23.3782 -9.8502 -9.8502 -8.7750 -8.7750 -5.1340 -5.1340 -4.3834 -4.3834 -3.0384 -3.0384 -2.1264 -2.1263 -2.0624 -2.0624 -1.8208 -1.8208 3.2465 3.2465 3.9219 3.9219 5.2625 5.2625 5.8525 5.8525 15.1491 15.1491 17.0559 17.0559 k = 0.3592 0.2074-0.0000 ( 1377 PWs) bands (ev): -23.4355 -23.4355 -23.3652 -23.3652 -9.8113 -9.8113 -8.7675 -8.7675 -5.1437 -5.1437 -4.4375 -4.4375 -3.0516 -3.0516 -2.1340 -2.1340 -2.0758 -2.0758 -1.8324 -1.8324 3.1895 3.1895 3.8754 3.8754 5.2502 5.2502 5.8450 5.8450 15.1978 15.1978 17.0404 17.0404 k = 0.3662 0.2114-0.0000 ( 1377 PWs) bands (ev): -23.4208 -23.4208 -23.3527 -23.3527 -9.7730 -9.7730 -8.7609 -8.7609 -5.1536 -5.1536 -4.4898 -4.4898 -3.0631 -3.0631 -2.1415 -2.1415 -2.0887 -2.0887 -1.8436 -1.8436 3.1345 3.1345 3.8305 3.8305 5.2384 5.2384 5.8377 5.8377 15.2460 15.2460 17.0242 17.0242 k = 0.3732 0.2155-0.0000 ( 1375 PWs) bands (ev): -23.4065 -23.4065 -23.3407 -23.3407 -9.7355 -9.7355 -8.7551 -8.7551 -5.1637 -5.1637 -4.5403 -4.5403 -3.0729 -3.0729 -2.1489 -2.1489 -2.1010 -2.1010 -1.8544 -1.8544 3.0817 3.0817 3.7874 3.7874 5.2271 5.2271 5.8307 5.8307 15.2937 15.2937 17.0075 17.0075 k = 0.3803 0.2196-0.0000 ( 1375 PWs) bands (ev): -23.3927 -23.3927 -23.3293 -23.3293 -9.6986 -9.6986 -8.7502 -8.7502 -5.1738 -5.1738 -4.5889 -4.5889 -3.0811 -3.0811 -2.1562 -2.1562 -2.1128 -2.1128 -1.8646 -1.8646 3.0310 3.0310 3.7461 3.7461 5.2163 5.2163 5.8240 5.8240 15.3406 15.3406 16.9901 16.9901 k = 0.3873 0.2236-0.0000 ( 1375 PWs) bands (ev): -23.3795 -23.3795 -23.3183 -23.3183 -9.6627 -9.6627 -8.7461 -8.7461 -5.1838 -5.1838 -4.6355 -4.6355 -3.0879 -3.0879 -2.1633 -2.1633 -2.1240 -2.1240 -1.8744 -1.8744 2.9827 2.9827 3.7067 3.7067 5.2060 5.2060 5.8176 5.8176 15.3868 15.3868 16.9723 16.9723 k = 0.3944 0.2277-0.0000 ( 1375 PWs) bands (ev): -23.3670 -23.3670 -23.3079 -23.3079 -9.6278 -9.6278 -8.7428 -8.7428 -5.1936 -5.1936 -4.6801 -4.6801 -3.0935 -3.0935 -2.1702 -2.1702 -2.1347 -2.1347 -1.8837 -1.8837 2.9369 2.9369 3.6692 3.6692 5.1963 5.1963 5.8115 5.8115 15.4320 15.4320 16.9541 16.9541 k = 0.4014 0.2318-0.0000 ( 1375 PWs) bands (ev): -23.3550 -23.3550 -23.2981 -23.2981 -9.5940 -9.5940 -8.7404 -8.7404 -5.2030 -5.2030 -4.7225 -4.7225 -3.0978 -3.0978 -2.1769 -2.1769 -2.1447 -2.1447 -1.8924 -1.8924 2.8935 2.8935 3.6338 3.6338 5.1871 5.1871 5.8057 5.8057 15.4762 15.4762 16.9355 16.9355 k = 0.4085 0.2358-0.0000 ( 1375 PWs) bands (ev): -23.3437 -23.3437 -23.2889 -23.2889 -9.5614 -9.5614 -8.7387 -8.7387 -5.2119 -5.2119 -4.7627 -4.7627 -3.1012 -3.1012 -2.1834 -2.1834 -2.1541 -2.1541 -1.9007 -1.9007 2.8528 2.8528 3.6005 3.6005 5.1785 5.1785 5.8003 5.8003 15.5191 15.5191 16.9167 16.9167 k = 0.4155 0.2399-0.0000 ( 1375 PWs) bands (ev): -23.3331 -23.3331 -23.2804 -23.2804 -9.5302 -9.5302 -8.7377 -8.7377 -5.2203 -5.2203 -4.8007 -4.8007 -3.1036 -3.1036 -2.1895 -2.1895 -2.1629 -2.1629 -1.9083 -1.9083 2.8148 2.8148 3.5695 3.5695 5.1705 5.1705 5.7953 5.7953 15.5605 15.5605 16.8978 16.8978 k = 0.4225 0.2440-0.0000 ( 1373 PWs) bands (ev): -23.3231 -23.3231 -23.2725 -23.2725 -9.5006 -9.5006 -8.7375 -8.7375 -5.2280 -5.2280 -4.8362 -4.8362 -3.1053 -3.1053 -2.1954 -2.1954 -2.1710 -2.1710 -1.9154 -1.9154 2.7795 2.7795 3.5406 3.5406 5.1631 5.1631 5.7906 5.7906 15.6004 15.6004 16.8789 16.8789 k = 0.4296 0.2480-0.0000 ( 1374 PWs) bands (ev): -23.3140 -23.3140 -23.2652 -23.2652 -9.4726 -9.4726 -8.7379 -8.7379 -5.2349 -5.2349 -4.8693 -4.8693 -3.1064 -3.1064 -2.2009 -2.2009 -2.1784 -2.1784 -1.9220 -1.9220 2.7470 2.7470 3.5141 3.5141 5.1563 5.1563 5.7863 5.7863 15.6384 15.6384 16.8603 16.8603 k = 0.4366 0.2521-0.0000 ( 1374 PWs) bands (ev): -23.3056 -23.3056 -23.2586 -23.2586 -9.4465 -9.4465 -8.7388 -8.7388 -5.2411 -5.2411 -4.8998 -4.8998 -3.1070 -3.1070 -2.2060 -2.2060 -2.1852 -2.1852 -1.9279 -1.9279 2.7174 2.7174 3.4899 3.4899 5.1501 5.1501 5.7822 5.7822 15.6743 15.6743 16.8421 16.8421 k = 0.4437 0.2561-0.0000 ( 1372 PWs) bands (ev): -23.2979 -23.2979 -23.2527 -23.2527 -9.4224 -9.4224 -8.7401 -8.7401 -5.2464 -5.2464 -4.9277 -4.9277 -3.1072 -3.1072 -2.2107 -2.2107 -2.1913 -2.1913 -1.9332 -1.9332 2.6908 2.6908 3.4681 3.4681 5.1445 5.1445 5.7787 5.7787 15.7077 15.7077 16.8247 16.8247 k = 0.4507 0.2602-0.0000 ( 1376 PWs) bands (ev): -23.2912 -23.2912 -23.2475 -23.2475 -9.4005 -9.4005 -8.7417 -8.7417 -5.2509 -5.2509 -4.9528 -4.9528 -3.1071 -3.1071 -2.2150 -2.2150 -2.1967 -2.1967 -1.9380 -1.9380 2.6672 2.6672 3.4488 3.4488 5.1396 5.1396 5.7755 5.7755 15.7385 15.7385 16.8078 16.8078 k = 0.4577 0.2643-0.0000 ( 1376 PWs) bands (ev): -23.2852 -23.2852 -23.2429 -23.2429 -9.3810 -9.3810 -8.7435 -8.7435 -5.2545 -5.2545 -4.9750 -4.9750 -3.1068 -3.1068 -2.2187 -2.2187 -2.2014 -2.2014 -1.9421 -1.9421 2.6466 2.6466 3.4319 3.4319 5.1353 5.1353 5.7728 5.7728 15.7662 15.7662 16.7924 16.7924 k = 0.4648 0.2683-0.0000 ( 1366 PWs) bands (ev): -23.2802 -23.2802 -23.2391 -23.2391 -9.3641 -9.3641 -8.7454 -8.7454 -5.2573 -5.2573 -4.9942 -4.9942 -3.1064 -3.1064 -2.2219 -2.2219 -2.2054 -2.2054 -1.9456 -1.9456 2.6292 2.6292 3.4177 3.4177 5.1316 5.1316 5.7705 5.7705 15.7908 15.7908 16.7785 16.7785 k = 0.4718 0.2724-0.0000 ( 1362 PWs) bands (ev): -23.2760 -23.2760 -23.2359 -23.2359 -9.3499 -9.3499 -8.7472 -8.7472 -5.2595 -5.2595 -5.0102 -5.0102 -3.1060 -3.1060 -2.2246 -2.2246 -2.2087 -2.2087 -1.9485 -1.9485 2.6149 2.6149 3.4059 3.4059 5.1287 5.1287 5.7686 5.7686 15.8113 15.8113 16.7666 16.7666 k = 0.4789 0.2765-0.0000 ( 1364 PWs) bands (ev): -23.2727 -23.2727 -23.2335 -23.2335 -9.3387 -9.3387 -8.7487 -8.7487 -5.2610 -5.2610 -5.0229 -5.0229 -3.1056 -3.1056 -2.2267 -2.2267 -2.2112 -2.2112 -1.9507 -1.9507 2.6036 2.6036 3.3967 3.3967 5.1263 5.1263 5.7671 5.7671 15.8278 15.8278 16.7568 16.7568 k = 0.4859 0.2805-0.0000 ( 1364 PWs) bands (ev): -23.2704 -23.2704 -23.2317 -23.2317 -9.3306 -9.3306 -8.7499 -8.7499 -5.2620 -5.2620 -5.0321 -5.0321 -3.1052 -3.1052 -2.2282 -2.2282 -2.2131 -2.2131 -1.9523 -1.9523 2.5956 2.5956 3.3902 3.3902 5.1247 5.1247 5.7660 5.7660 15.8398 15.8398 16.7496 16.7496 k = 0.4930 0.2846-0.0000 ( 1372 PWs) bands (ev): -23.2690 -23.2690 -23.2307 -23.2307 -9.3257 -9.3257 -8.7507 -8.7507 -5.2625 -5.2625 -5.0377 -5.0377 -3.1050 -3.1050 -2.2291 -2.2291 -2.2142 -2.2142 -1.9533 -1.9533 2.5908 2.5908 3.3862 3.3862 5.1237 5.1237 5.7654 5.7654 15.8471 15.8471 16.7452 16.7452 k = 0.5000 0.2887-0.0000 ( 1372 PWs) bands (ev): -23.2685 -23.2685 -23.2303 -23.2303 -9.3240 -9.3240 -8.7510 -8.7510 -5.2627 -5.2627 -5.0395 -5.0395 -3.1050 -3.1050 -2.2294 -2.2294 -2.2145 -2.2145 -1.9536 -1.9536 2.5892 2.5892 3.3849 3.3849 5.1233 5.1233 5.7652 5.7652 15.8495 15.8495 16.7437 16.7437 k = 0.5000 0.2887-0.0000 ( 1372 PWs) bands (ev): -23.2685 -23.2685 -23.2303 -23.2303 -9.3240 -9.3240 -8.7510 -8.7510 -5.2627 -5.2627 -5.0395 -5.0395 -3.1050 -3.1050 -2.2294 -2.2294 -2.2145 -2.2145 -1.9536 -1.9536 2.5892 2.5892 3.3849 3.3849 5.1233 5.1233 5.7652 5.7652 15.8495 15.8495 16.7437 16.7437 k = 0.4959 0.2957-0.0000 ( 1372 PWs) bands (ev): -23.2683 -23.2683 -23.2302 -23.2302 -9.3236 -9.3236 -8.7509 -8.7509 -5.2620 -5.2620 -5.0388 -5.0388 -3.1049 -3.1049 -2.2297 -2.2297 -2.2162 -2.2162 -1.9550 -1.9550 2.5898 2.5898 3.3854 3.3854 5.1218 5.1218 5.7638 5.7638 15.8499 15.8499 16.7436 16.7436 k = 0.4919 0.3028-0.0000 ( 1372 PWs) bands (ev): -23.2679 -23.2679 -23.2299 -23.2299 -9.3225 -9.3225 -8.7508 -8.7508 -5.2598 -5.2598 -5.0368 -5.0368 -3.1049 -3.1049 -2.2309 -2.2309 -2.2211 -2.2211 -1.9592 -1.9592 2.5917 2.5917 3.3870 3.3870 5.1172 5.1172 5.7597 5.7597 15.8512 15.8512 16.7434 16.7434 k = 0.4878 0.3098-0.0000 ( 1368 PWs) bands (ev): -23.2672 -23.2672 -23.2293 -23.2293 -9.3207 -9.3207 -8.7505 -8.7505 -5.2562 -5.2562 -5.0334 -5.0334 -3.1048 -3.1048 -2.2355 -2.2355 -2.2264 -2.2264 -1.9661 -1.9661 2.5947 2.5947 3.3896 3.3896 5.1097 5.1097 5.7530 5.7530 15.8533 15.8533 16.7430 16.7430 k = 0.4837 0.3168-0.0000 ( 1368 PWs) bands (ev): -23.2663 -23.2663 -23.2285 -23.2285 -9.3181 -9.3181 -8.7501 -8.7501 -5.2512 -5.2512 -5.0286 -5.0286 -3.1047 -3.1047 -2.2470 -2.2470 -2.2289 -2.2289 -1.9757 -1.9757 2.5991 2.5991 3.3933 3.3933 5.0990 5.0990 5.7434 5.7434 15.8563 15.8563 16.7425 16.7425 k = 0.4797 0.3239-0.0000 ( 1368 PWs) bands (ev): -23.2651 -23.2651 -23.2275 -23.2275 -9.3148 -9.3148 -8.7497 -8.7497 -5.2448 -5.2448 -5.0224 -5.0224 -3.1047 -3.1047 -2.2633 -2.2633 -2.2304 -2.2304 -1.9880 -1.9880 2.6046 2.6046 3.3980 3.3980 5.0855 5.0855 5.7312 5.7312 15.8600 15.8600 16.7419 16.7419 k = 0.4756 0.3309-0.0000 ( 1366 PWs) bands (ev): -23.2636 -23.2636 -23.2263 -23.2263 -9.3108 -9.3108 -8.7492 -8.7492 -5.2369 -5.2369 -5.0149 -5.0149 -3.1047 -3.1047 -2.2836 -2.2836 -2.2318 -2.2318 -2.0028 -2.0028 2.6114 2.6114 3.4037 3.4037 5.0691 5.0691 5.7164 5.7164 15.8646 15.8646 16.7410 16.7410 k = 0.4715 0.3380-0.0000 ( 1366 PWs) bands (ev): -23.2618 -23.2618 -23.2248 -23.2248 -9.3060 -9.3060 -8.7486 -8.7486 -5.2276 -5.2276 -5.0061 -5.0061 -3.1048 -3.1048 -2.3075 -2.3075 -2.2334 -2.2334 -2.0199 -2.0199 2.6193 2.6193 3.4104 3.4104 5.0498 5.0498 5.6990 5.6990 15.8700 15.8700 16.7400 16.7400 k = 0.4675 0.3450-0.0000 ( 1366 PWs) bands (ev): -23.2598 -23.2598 -23.2232 -23.2232 -9.3006 -9.3006 -8.7479 -8.7479 -5.2169 -5.2169 -4.9959 -4.9959 -3.1051 -3.1051 -2.3348 -2.3348 -2.2351 -2.2351 -2.0394 -2.0394 2.6285 2.6285 3.4182 3.4182 5.0278 5.0278 5.6791 5.6791 15.8762 15.8762 16.7388 16.7388 k = 0.4634 0.3520-0.0000 ( 1366 PWs) bands (ev): -23.2576 -23.2576 -23.2213 -23.2213 -9.2944 -9.2944 -8.7472 -8.7472 -5.2048 -5.2048 -4.9844 -4.9844 -3.1057 -3.1057 -2.3655 -2.3655 -2.2370 -2.2370 -2.0610 -2.0610 2.6389 2.6389 3.4270 3.4270 5.0031 5.0031 5.6567 5.6567 15.8832 15.8832 16.7374 16.7374 k = 0.4593 0.3591-0.0000 ( 1366 PWs) bands (ev): -23.2551 -23.2551 -23.2192 -23.2192 -9.2876 -9.2876 -8.7465 -8.7465 -5.1913 -5.1913 -4.9716 -4.9716 -3.1066 -3.1066 -2.3994 -2.3994 -2.2392 -2.2392 -2.0845 -2.0845 2.6504 2.6504 3.4367 3.4367 4.9760 4.9760 5.6320 5.6320 15.8910 15.8910 16.7358 16.7358 k = 0.4553 0.3661-0.0000 ( 1368 PWs) bands (ev): -23.2524 -23.2524 -23.2170 -23.2170 -9.2801 -9.2801 -8.7458 -8.7458 -5.1764 -5.1764 -4.9574 -4.9574 -3.1079 -3.1079 -2.4364 -2.4364 -2.2416 -2.2416 -2.1097 -2.1097 2.6630 2.6630 3.4474 3.4474 4.9463 4.9463 5.6049 5.6049 15.8996 15.8996 16.7340 16.7340 k = 0.4512 0.3732-0.0000 ( 1370 PWs) bands (ev): -23.2495 -23.2495 -23.2146 -23.2146 -9.2720 -9.2720 -8.7451 -8.7451 -5.1602 -5.1602 -4.9420 -4.9420 -3.1098 -3.1098 -2.4763 -2.4763 -2.2443 -2.2443 -2.1363 -2.1363 2.6768 2.6768 3.4591 3.4591 4.9144 4.9144 5.5757 5.5757 15.9090 15.9090 16.7320 16.7320 k = 0.4472 0.3802-0.0000 ( 1374 PWs) bands (ev): -23.2464 -23.2464 -23.2121 -23.2121 -9.2632 -9.2632 -8.7444 -8.7444 -5.1426 -5.1426 -4.9253 -4.9253 -3.1124 -3.1124 -2.5190 -2.5190 -2.2473 -2.2473 -2.1641 -2.1641 2.6917 2.6917 3.4717 3.4717 4.8803 4.8803 5.5443 5.5443 15.9191 15.9191 16.7296 16.7296 k = 0.4431 0.3872-0.0000 ( 1374 PWs) bands (ev): -23.2431 -23.2431 -23.2094 -23.2094 -9.2538 -9.2538 -8.7438 -8.7438 -5.1236 -5.1236 -4.9073 -4.9073 -3.1158 -3.1158 -2.5644 -2.5644 -2.2504 -2.2504 -2.1929 -2.1929 2.7077 2.7077 3.4852 3.4852 4.8443 4.8443 5.5110 5.5110 15.9300 15.9300 16.7269 16.7269 k = 0.4390 0.3943-0.0000 ( 1374 PWs) bands (ev): -23.2396 -23.2396 -23.2066 -23.2066 -9.2438 -9.2438 -8.7432 -8.7432 -5.1033 -5.1033 -4.8881 -4.8881 -3.1203 -3.1203 -2.6122 -2.6122 -2.2539 -2.2539 -2.2222 -2.2222 2.7248 2.7248 3.4996 3.4996 4.8063 4.8063 5.4759 5.4759 15.9415 15.9415 16.7239 16.7239 k = 0.4350 0.4013-0.0000 ( 1374 PWs) bands (ev): -23.2360 -23.2360 -23.2036 -23.2036 -9.2332 -9.2332 -8.7428 -8.7428 -5.0817 -5.0817 -4.8676 -4.8676 -3.1261 -3.1261 -2.6624 -2.6624 -2.2582 -2.2582 -2.2512 -2.2512 2.7429 2.7429 3.5149 3.5149 4.7667 4.7667 5.4391 5.4391 15.9538 15.9538 16.7205 16.7205 k = 0.4309 0.4084-0.0000 ( 1370 PWs) bands (ev): -23.2322 -23.2322 -23.2006 -23.2006 -9.2221 -9.2221 -8.7425 -8.7425 -5.0588 -5.0588 -4.8459 -4.8459 -3.1333 -3.1333 -2.7146 -2.7146 -2.2816 -2.2816 -2.2611 -2.2611 2.7620 2.7620 3.5310 3.5310 4.7255 4.7255 5.4007 5.4007 15.9666 15.9666 16.7166 16.7166 k = 0.4268 0.4154-0.0000 ( 1370 PWs) bands (ev): -23.2283 -23.2283 -23.1975 -23.1975 -9.2105 -9.2105 -8.7424 -8.7424 -5.0346 -5.0346 -4.8231 -4.8231 -3.1422 -3.1422 -2.7689 -2.7689 -2.3104 -2.3104 -2.2655 -2.2655 2.7820 2.7820 3.5479 3.5479 4.6830 4.6830 5.3608 5.3608 15.9802 15.9802 16.7125 16.7125 k = 0.4228 0.4225-0.0000 ( 1366 PWs) bands (ev): -23.2243 -23.2243 -23.1943 -23.1943 -9.1983 -9.1983 -8.7425 -8.7425 -5.0091 -5.0091 -4.7991 -4.7991 -3.1530 -3.1530 -2.8249 -2.8249 -2.3383 -2.3383 -2.2700 -2.2700 2.8030 2.8030 3.5656 3.5656 4.6394 4.6394 5.3195 5.3195 15.9945 15.9945 16.7079 16.7079 k = 0.4187 0.4295-0.0000 ( 1374 PWs) bands (ev): -23.2203 -23.2203 -23.1911 -23.1911 -9.1857 -9.1857 -8.7428 -8.7428 -4.9824 -4.9824 -4.7740 -4.7740 -3.1660 -3.1660 -2.8826 -2.8826 -2.3650 -2.3650 -2.2748 -2.2748 2.8248 2.8248 3.5840 3.5840 4.5947 4.5947 5.2771 5.2771 16.0092 16.0092 16.7027 16.7027 k = 0.4146 0.4365-0.0000 ( 1374 PWs) bands (ev): -23.2161 -23.2161 -23.1879 -23.1879 -9.1726 -9.1726 -8.7434 -8.7434 -4.9544 -4.9544 -4.7477 -4.7477 -3.1815 -3.1815 -2.9417 -2.9417 -2.3900 -2.3900 -2.2799 -2.2799 2.8475 2.8475 3.6031 3.6031 4.5492 4.5492 5.2337 5.2337 16.0247 16.0247 16.6971 16.6971 k = 0.4106 0.4436-0.0000 ( 1370 PWs) bands (ev): -23.2119 -23.2119 -23.1846 -23.1846 -9.1591 -9.1591 -8.7443 -8.7443 -4.9253 -4.9253 -4.7204 -4.7204 -3.1995 -3.1995 -3.0021 -3.0021 -2.4129 -2.4129 -2.2852 -2.2852 2.8709 2.8709 3.6228 3.6228 4.5033 4.5033 5.1894 5.1894 16.0408 16.0408 16.6911 16.6911 k = 0.4065 0.4506-0.0000 ( 1370 PWs) bands (ev): -23.2076 -23.2076 -23.1814 -23.1814 -9.1452 -9.1452 -8.7455 -8.7455 -4.8949 -4.8949 -4.6921 -4.6921 -3.2201 -3.2201 -3.0636 -3.0636 -2.4335 -2.4335 -2.2909 -2.2909 2.8951 2.8951 3.6430 3.6430 4.4569 4.4569 5.1445 5.1445 16.0575 16.0575 16.6844 16.6844 k = 0.4024 0.4577-0.0000 ( 1370 PWs) bands (ev): -23.2033 -23.2033 -23.1782 -23.1782 -9.1309 -9.1309 -8.7471 -8.7471 -4.8634 -4.8634 -4.6628 -4.6628 -3.2435 -3.2435 -3.1260 -3.1260 -2.4516 -2.4516 -2.2968 -2.2968 2.9198 2.9198 3.6638 3.6638 4.4104 4.4104 5.0990 5.0990 16.0748 16.0748 16.6772 16.6772 k = 0.3984 0.4647-0.0000 ( 1370 PWs) bands (ev): -23.1990 -23.1990 -23.1750 -23.1750 -9.1163 -9.1163 -8.7491 -8.7491 -4.8308 -4.8308 -4.6326 -4.6326 -3.2696 -3.2696 -3.1891 -3.1891 -2.4671 -2.4671 -2.3031 -2.3031 2.9451 2.9451 3.6850 3.6850 4.3640 4.3640 5.0533 5.0533 16.0925 16.0925 16.6693 16.6693 k = 0.3943 0.4717-0.0000 ( 1366 PWs) bands (ev): -23.1948 -23.1948 -23.1719 -23.1719 -9.1014 -9.1014 -8.7516 -8.7516 -4.7971 -4.7971 -4.6014 -4.6014 -3.2983 -3.2983 -3.2527 -3.2527 -2.4799 -2.4799 -2.3096 -2.3096 2.9707 2.9707 3.7065 3.7065 4.3180 4.3180 5.0075 5.0075 16.1109 16.1109 16.6608 16.6608 k = 0.3902 0.4788-0.0000 ( 1366 PWs) bands (ev): -23.1906 -23.1906 -23.1690 -23.1690 -9.0863 -9.0863 -8.7545 -8.7545 -4.7623 -4.7623 -4.5695 -4.5695 -3.3296 -3.3296 -3.3163 -3.3163 -2.4900 -2.4900 -2.3165 -2.3165 2.9967 2.9967 3.7281 3.7281 4.2726 4.2726 4.9617 4.9617 16.1297 16.1297 16.6516 16.6516 k = 0.3862 0.4858-0.0000 ( 1360 PWs) bands (ev): -23.1865 -23.1865 -23.1661 -23.1661 -9.0709 -9.0709 -8.7580 -8.7580 -4.7264 -4.7264 -4.5368 -4.5368 -3.3818 -3.3818 -3.3613 -3.3613 -2.4976 -2.4976 -2.3236 -2.3236 3.0228 3.0228 3.7499 3.7499 4.2282 4.2282 4.9165 4.9165 16.1489 16.1489 16.6416 16.6416 k = 0.3821 0.4929-0.0000 ( 1360 PWs) bands (ev): -23.1825 -23.1825 -23.1634 -23.1634 -9.0554 -9.0554 -8.7621 -8.7621 -4.6895 -4.6895 -4.5035 -4.5035 -3.4460 -3.4460 -3.3962 -3.3962 -2.5028 -2.5028 -2.3311 -2.3311 3.0490 3.0490 3.7716 3.7716 4.1850 4.1850 4.8717 4.8717 16.1686 16.1686 16.6309 16.6309 k = 0.3780 0.4999-0.0000 ( 1360 PWs) bands (ev): -23.1786 -23.1786 -23.1608 -23.1608 -9.0397 -9.0397 -8.7668 -8.7668 -4.6517 -4.6517 -4.4696 -4.4696 -3.5103 -3.5103 -3.4320 -3.4320 -2.5058 -2.5058 -2.3389 -2.3389 3.0748 3.0748 3.7930 3.7930 4.1433 4.1433 4.8279 4.8279 16.1887 16.1887 16.6194 16.6194 k = 0.3740 0.5069-0.0000 ( 1366 PWs) bands (ev): -23.1748 -23.1748 -23.1584 -23.1584 -9.0239 -9.0239 -8.7721 -8.7721 -4.6129 -4.6129 -4.4353 -4.4353 -3.5744 -3.5744 -3.4688 -3.4688 -2.5067 -2.5067 -2.3469 -2.3469 3.1003 3.1003 3.8138 3.8138 4.1035 4.1035 4.7854 4.7854 16.2092 16.2092 16.6070 16.6070 k = 0.3699 0.5140-0.0000 ( 1370 PWs) bands (ev): -23.1712 -23.1712 -23.1563 -23.1563 -9.0081 -9.0081 -8.7781 -8.7781 -4.5732 -4.5732 -4.4008 -4.4008 -3.6381 -3.6381 -3.5058 -3.5058 -2.5059 -2.5059 -2.3553 -2.3553 3.1250 3.1250 3.8339 3.8339 4.0662 4.0662 4.7445 4.7445 16.2299 16.2299 16.5937 16.5937 k = 0.3659 0.5210-0.0000 ( 1370 PWs) bands (ev): -23.1678 -23.1678 -23.1544 -23.1544 -8.9922 -8.9922 -8.7849 -8.7849 -4.5326 -4.5326 -4.3663 -4.3663 -3.7014 -3.7014 -3.5427 -3.5427 -2.5033 -2.5033 -2.3640 -2.3640 3.1486 3.1486 3.8528 3.8528 4.0317 4.0317 4.7057 4.7057 16.2510 16.2510 16.5796 16.5796 k = 0.3618 0.5281-0.0000 ( 1370 PWs) bands (ev): -23.1646 -23.1646 -23.1527 -23.1527 -8.9764 -8.9764 -8.7924 -8.7924 -4.4912 -4.4912 -4.3320 -4.3320 -3.7640 -3.7640 -3.5790 -3.5790 -2.4994 -2.4994 -2.3730 -2.3730 3.1707 3.1707 3.8701 3.8701 4.0006 4.0006 4.6695 4.6695 16.2725 16.2725 16.5645 16.5645 k = 0.3577 0.5351-0.0000 ( 1373 PWs) bands (ev): -23.1616 -23.1616 -23.1513 -23.1513 -8.9606 -8.9606 -8.8007 -8.8007 -4.4490 -4.4490 -4.2984 -4.2984 -3.8258 -3.8258 -3.6139 -3.6139 -2.4941 -2.4941 -2.3822 -2.3822 3.1910 3.1910 3.8851 3.8851 3.9736 3.9736 4.6364 4.6364 16.2943 16.2943 16.5483 16.5483 k = 0.3537 0.5421-0.0000 ( 1373 PWs) bands (ev): -23.1589 -23.1589 -23.1502 -23.1502 -8.9449 -8.9449 -8.8099 -8.8099 -4.4060 -4.4060 -4.2660 -4.2660 -3.8866 -3.8866 -3.6468 -3.6468 -2.4877 -2.4877 -2.3917 -2.3917 3.2089 3.2089 3.8970 3.8970 3.9518 3.9518 4.6070 4.6070 16.3164 16.3164 16.5312 16.5312 k = 0.3496 0.5492-0.0000 ( 1373 PWs) bands (ev): -23.1565 -23.1565 -23.1494 -23.1494 -8.9293 -8.9293 -8.8199 -8.8199 -4.3625 -4.3625 -4.2355 -4.2355 -3.9463 -3.9463 -3.6767 -3.6767 -2.4803 -2.4803 -2.4014 -2.4014 3.2240 3.2240 3.9039 3.9039 3.9368 3.9368 4.5819 4.5819 16.3387 16.3387 16.5131 16.5131 k = 0.3455 0.5562-0.0000 ( 1373 PWs) bands (ev): -23.1544 -23.1544 -23.1490 -23.1490 -8.9140 -8.9140 -8.8309 -8.8309 -4.3184 -4.3184 -4.2078 -4.2078 -4.0047 -4.0047 -3.7024 -3.7024 -2.4720 -2.4720 -2.4114 -2.4114 3.2360 3.2360 3.9040 3.9040 3.9306 3.9306 4.5619 4.5619 16.3612 16.3612 16.4939 16.4939 k = 0.3415 0.5633-0.0000 ( 1377 PWs) bands (ev): -23.1525 -23.1525 -23.1489 -23.1489 -8.8989 -8.8989 -8.8428 -8.8428 -4.2741 -4.2741 -4.1844 -4.1844 -4.0614 -4.0614 -3.7226 -3.7226 -2.4629 -2.4629 -2.4216 -2.4216 3.2444 3.2444 3.9009 3.9009 3.9294 3.9294 4.5473 4.5473 16.3839 16.3839 16.4736 16.4736 k = 0.3374 0.5703-0.0000 ( 1377 PWs) bands (ev): -23.1511 -23.1511 -23.1492 -23.1492 -8.8840 -8.8840 -8.8556 -8.8556 -4.2306 -4.2306 -4.1670 -4.1670 -4.1148 -4.1148 -3.7357 -3.7357 -2.4532 -2.4532 -2.4320 -2.4320 3.2494 3.2494 3.8996 3.8996 3.9281 3.9281 4.5386 4.5386 16.4067 16.4067 16.4523 16.4523 k = 0.3333 0.5774-0.0000 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8695 -8.8695 -8.8695 -8.8695 -4.2005 -4.2005 -4.1635 -4.1635 -4.1457 -4.1457 -3.7403 -3.7403 -2.4441 -2.4441 -2.4413 -2.4413 3.2510 3.2510 3.9001 3.9001 3.9268 3.9268 4.5357 4.5357 16.4289 16.4289 16.4306 16.4306 k = 0.3333 0.5774-0.0000 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8695 -8.8695 -8.8695 -8.8695 -4.2005 -4.2005 -4.1635 -4.1635 -4.1457 -4.1457 -3.7403 -3.7403 -2.4441 -2.4441 -2.4413 -2.4413 3.2510 3.2510 3.9001 3.9001 3.9268 3.9268 4.5357 4.5357 16.4289 16.4289 16.4306 16.4306 k = 0.3293 0.5703-0.0000 ( 1377 PWs) bands (ev): -23.1511 -23.1511 -23.1492 -23.1492 -8.8843 -8.8843 -8.8553 -8.8553 -4.2346 -4.2346 -4.1529 -4.1529 -4.1249 -4.1249 -3.7356 -3.7356 -2.4535 -2.4535 -2.4317 -2.4317 3.2495 3.2495 3.8973 3.8973 3.9304 3.9304 4.5384 4.5384 16.4061 16.4061 16.4529 16.4529 k = 0.3252 0.5633-0.0000 ( 1377 PWs) bands (ev): -23.1527 -23.1527 -23.1489 -23.1489 -8.9003 -8.9003 -8.8415 -8.8415 -4.2839 -4.2839 -4.1547 -4.1547 -4.0816 -4.0816 -3.7219 -3.7219 -2.4643 -2.4643 -2.4203 -2.4203 3.2456 3.2456 3.8879 3.8879 3.9424 3.9424 4.5464 4.5464 16.3813 16.3813 16.4761 16.4761 k = 0.3211 0.5562-0.0000 ( 1373 PWs) bands (ev): -23.1547 -23.1547 -23.1490 -23.1490 -8.9172 -8.9172 -8.8282 -8.8282 -4.3332 -4.3332 -4.1635 -4.1635 -4.0351 -4.0351 -3.7002 -3.7002 -2.4752 -2.4752 -2.4086 -2.4086 3.2399 3.2399 3.8739 3.8739 3.9608 3.9608 4.5591 4.5591 16.3554 16.3554 16.4993 16.4993 k = 0.3171 0.5492-0.0000 ( 1373 PWs) bands (ev): -23.1572 -23.1572 -23.1495 -23.1495 -8.9353 -8.9353 -8.8154 -8.8154 -4.3813 -4.3813 -4.1767 -4.1767 -3.9876 -3.9876 -3.6722 -3.6722 -2.4862 -2.4862 -2.3965 -2.3965 3.2330 3.2330 3.8571 3.8571 3.9838 3.9838 4.5757 4.5757 16.3282 16.3282 16.5226 16.5226 k = 0.3130 0.5421-0.0000 ( 1369 PWs) bands (ev): -23.1602 -23.1602 -23.1505 -23.1505 -8.9544 -8.9544 -8.8031 -8.8031 -4.4278 -4.4278 -4.1928 -4.1928 -3.9396 -3.9396 -3.6392 -3.6392 -2.4972 -2.4972 -2.3841 -2.3841 3.2254 3.2254 3.8387 3.8387 4.0105 4.0105 4.5957 4.5957 16.3000 16.3000 16.5459 16.5459 k = 0.3089 0.5351-0.0000 ( 1369 PWs) bands (ev): -23.1637 -23.1637 -23.1519 -23.1519 -8.9746 -8.9746 -8.7913 -8.7913 -4.4725 -4.4725 -4.2102 -4.2102 -3.8912 -3.8912 -3.6026 -3.6026 -2.5081 -2.5081 -2.3714 -2.3714 3.2179 3.2179 3.8194 3.8194 4.0400 4.0400 4.6186 4.6186 16.2705 16.2705 16.5691 16.5691 k = 0.3049 0.5281-0.0000 ( 1365 PWs) bands (ev): -23.1677 -23.1677 -23.1538 -23.1538 -8.9959 -8.9959 -8.7802 -8.7802 -4.5154 -4.5154 -4.2281 -4.2281 -3.8427 -3.8427 -3.5632 -3.5632 -2.5189 -2.5189 -2.3586 -2.3586 3.2108 3.2108 3.8000 3.8000 4.0720 4.0720 4.6437 4.6437 16.2399 16.2399 16.5924 16.5924 k = 0.3008 0.5210-0.0000 ( 1369 PWs) bands (ev): -23.1722 -23.1722 -23.1562 -23.1562 -9.0184 -9.0184 -8.7697 -8.7697 -4.5564 -4.5564 -4.2458 -4.2458 -3.7940 -3.7940 -3.5217 -3.5217 -2.5296 -2.5296 -2.3456 -2.3456 3.2046 3.2046 3.7807 3.7807 4.1059 4.1059 4.6707 4.6707 16.2080 16.2080 16.6154 16.6154 k = 0.2967 0.5140-0.0000 ( 1365 PWs) bands (ev): -23.1773 -23.1773 -23.1591 -23.1591 -9.0419 -9.0419 -8.7598 -8.7598 -4.5956 -4.5956 -4.2626 -4.2626 -3.7453 -3.7453 -3.4786 -3.4786 -2.5401 -2.5401 -2.3324 -2.3324 3.1996 3.1996 3.7622 3.7622 4.1415 4.1415 4.6993 4.6993 16.1750 16.1750 16.6384 16.6384 k = 0.2927 0.5069-0.0000 ( 1365 PWs) bands (ev): -23.1829 -23.1829 -23.1626 -23.1626 -9.0666 -9.0666 -8.7507 -8.7507 -4.6327 -4.6327 -4.2782 -4.2782 -3.6966 -3.6966 -3.4343 -3.4343 -2.5502 -2.5502 -2.3192 -2.3192 3.1962 3.1962 3.7446 3.7446 4.1784 4.1784 4.7292 4.7292 16.1408 16.1408 16.6613 16.6613 k = 0.2886 0.4999-0.0000 ( 1363 PWs) bands (ev): -23.1891 -23.1891 -23.1665 -23.1665 -9.0923 -9.0923 -8.7423 -8.7423 -4.6680 -4.6680 -4.2924 -4.2924 -3.6480 -3.6480 -3.3891 -3.3891 -2.5599 -2.5599 -2.3059 -2.3059 3.1944 3.1944 3.7283 3.7283 4.2163 4.2163 4.7601 4.7601 16.1054 16.1054 16.6839 16.6839 k = 0.2846 0.4929-0.0000 ( 1363 PWs) bands (ev): -23.1958 -23.1958 -23.1710 -23.1710 -9.1191 -9.1191 -8.7346 -8.7346 -4.7012 -4.7012 -4.3048 -4.3048 -3.5997 -3.5997 -3.3432 -3.3432 -2.5692 -2.5692 -2.2925 -2.2925 3.1946 3.1946 3.7135 3.7135 4.2552 4.2552 4.7918 4.7918 16.0689 16.0689 16.7064 16.7064 k = 0.2805 0.4858-0.0000 ( 1363 PWs) bands (ev): -23.2031 -23.2031 -23.1760 -23.1760 -9.1469 -9.1469 -8.7277 -8.7277 -4.7325 -4.7325 -4.3152 -4.3152 -3.5518 -3.5518 -3.2968 -3.2968 -2.5778 -2.5778 -2.2791 -2.2791 3.1969 3.1969 3.7003 3.7003 4.2948 4.2948 4.8242 4.8242 16.0314 16.0314 16.7287 16.7287 k = 0.2764 0.4788-0.0000 ( 1365 PWs) bands (ev): -23.2109 -23.2109 -23.1815 -23.1815 -9.1758 -9.1758 -8.7217 -8.7217 -4.7619 -4.7619 -4.3237 -4.3237 -3.5043 -3.5043 -3.2500 -3.2500 -2.5857 -2.5857 -2.2657 -2.2657 3.2014 3.2014 3.6890 3.6890 4.3349 4.3349 4.8571 4.8571 15.9928 15.9928 16.7507 16.7507 k = 0.2724 0.4717-0.0000 ( 1369 PWs) bands (ev): -23.2193 -23.2193 -23.1876 -23.1876 -9.2058 -9.2058 -8.7164 -8.7164 -4.7892 -4.7892 -4.3299 -4.3299 -3.4574 -3.4574 -3.2029 -3.2029 -2.5928 -2.5928 -2.2523 -2.2523 3.2081 3.2081 3.6797 3.6797 4.3754 4.3754 4.8904 4.8904 15.9530 15.9530 16.7724 16.7724 k = 0.2683 0.4647-0.0000 ( 1369 PWs) bands (ev): -23.2282 -23.2282 -23.1943 -23.1943 -9.2367 -9.2367 -8.7120 -8.7120 -4.8147 -4.8147 -4.3339 -4.3339 -3.4113 -3.4113 -3.1557 -3.1557 -2.5988 -2.5988 -2.2389 -2.2389 3.2173 3.2173 3.6724 3.6724 4.4163 4.4163 4.9241 4.9241 15.9123 15.9124 16.7938 16.7938 k = 0.2642 0.4577-0.0000 ( 1369 PWs) bands (ev): -23.2378 -23.2378 -23.2014 -23.2014 -9.2686 -9.2686 -8.7085 -8.7085 -4.8383 -4.8383 -4.3355 -4.3355 -3.3660 -3.3660 -3.1084 -3.1084 -2.6036 -2.6036 -2.2255 -2.2255 3.2289 3.2289 3.6673 3.6673 4.4573 4.4573 4.9579 4.9579 15.8707 15.8707 16.8149 16.8149 k = 0.2602 0.4506-0.0000 ( 1367 PWs) bands (ev): -23.2478 -23.2478 -23.2091 -23.2091 -9.3014 -9.3014 -8.7058 -8.7058 -4.8600 -4.8600 -4.3348 -4.3348 -3.3219 -3.3219 -3.0612 -3.0612 -2.6069 -2.6069 -2.2122 -2.2122 3.2429 3.2429 3.6644 3.6644 4.4985 4.4985 4.9919 4.9919 15.8282 15.8282 16.8357 16.8357 k = 0.2561 0.4436-0.0000 ( 1367 PWs) bands (ev): -23.2584 -23.2584 -23.2174 -23.2174 -9.3351 -9.3351 -8.7040 -8.7040 -4.8799 -4.8799 -4.3316 -4.3316 -3.2790 -3.2790 -3.0141 -3.0141 -2.6086 -2.6086 -2.1990 -2.1990 3.2594 3.2594 3.6639 3.6639 4.5397 4.5397 5.0259 5.0259 15.7846 15.7846 16.8561 16.8561 k = 0.2520 0.4365-0.0000 ( 1367 PWs) bands (ev): -23.2696 -23.2696 -23.2262 -23.2262 -9.3697 -9.3697 -8.7031 -8.7031 -4.8980 -4.8980 -4.3260 -4.3260 -3.2376 -3.2376 -2.9672 -2.9672 -2.6084 -2.6084 -2.1857 -2.1857 3.2784 3.2784 3.6657 3.6657 4.5809 4.5809 5.0600 5.0600 15.7403 15.7403 16.8760 16.8760 k = 0.2480 0.4295-0.0000 ( 1365 PWs) bands (ev): -23.2813 -23.2813 -23.2354 -23.2354 -9.4051 -9.4051 -8.7031 -8.7031 -4.9145 -4.9145 -4.3179 -4.3179 -3.1980 -3.1980 -2.9205 -2.9205 -2.6060 -2.6060 -2.1725 -2.1725 3.2999 3.2999 3.6698 3.6698 4.6220 4.6220 5.0939 5.0939 15.6952 15.6952 16.8956 16.8956 k = 0.2439 0.4225-0.0000 ( 1365 PWs) bands (ev): -23.2935 -23.2935 -23.2452 -23.2452 -9.4413 -9.4413 -8.7040 -8.7040 -4.9294 -4.9294 -4.3073 -4.3073 -3.1603 -3.1603 -2.8742 -2.8742 -2.6011 -2.6011 -2.1593 -2.1593 3.3239 3.3239 3.6764 3.6764 4.6630 4.6630 5.1278 5.1278 15.6493 15.6493 16.9147 16.9147 k = 0.2398 0.4154-0.0000 ( 1377 PWs) bands (ev): -23.3062 -23.3062 -23.2555 -23.2555 -9.4782 -9.4782 -8.7058 -8.7058 -4.9427 -4.9427 -4.2942 -4.2942 -3.1249 -3.1249 -2.8284 -2.8284 -2.5935 -2.5935 -2.1462 -2.1462 3.3503 3.3503 3.6853 3.6853 4.7036 4.7036 5.1614 5.1614 15.6028 15.6028 16.9334 16.9334 k = 0.2358 0.4084-0.0000 ( 1373 PWs) bands (ev): -23.3194 -23.3194 -23.2663 -23.2663 -9.5158 -9.5158 -8.7084 -8.7084 -4.9546 -4.9546 -4.2786 -4.2786 -3.0918 -3.0918 -2.7830 -2.7830 -2.5829 -2.5829 -2.1331 -2.1331 3.3792 3.3792 3.6967 3.6967 4.7441 4.7441 5.1949 5.1949 15.5556 15.5556 16.9516 16.9516 k = 0.2317 0.4013-0.0000 ( 1373 PWs) bands (ev): -23.3331 -23.3331 -23.2776 -23.2776 -9.5540 -9.5540 -8.7119 -8.7119 -4.9651 -4.9651 -4.2605 -4.2605 -3.0612 -3.0612 -2.7381 -2.7381 -2.5692 -2.5692 -2.1200 -2.1200 3.4105 3.4105 3.7105 3.7105 4.7842 4.7842 5.2281 5.2281 15.5078 15.5078 16.9692 16.9692 k = 0.2276 0.3943-0.0000 ( 1375 PWs) bands (ev): -23.3473 -23.3473 -23.2893 -23.2893 -9.5928 -9.5928 -8.7163 -8.7163 -4.9744 -4.9744 -4.2400 -4.2400 -3.0331 -3.0331 -2.6940 -2.6940 -2.5523 -2.5523 -2.1068 -2.1068 3.4442 3.4442 3.7268 3.7268 4.8240 4.8240 5.2610 5.2610 15.4595 15.4595 16.9863 16.9863 k = 0.2236 0.3872-0.0000 ( 1375 PWs) bands (ev): -23.3619 -23.3619 -23.3015 -23.3015 -9.6322 -9.6322 -8.7215 -8.7215 -4.9825 -4.9825 -4.2170 -4.2170 -3.0074 -3.0074 -2.6505 -2.6505 -2.5322 -2.5322 -2.0936 -2.0936 3.4801 3.4801 3.7454 3.7454 4.8633 4.8633 5.2936 5.2936 15.4107 15.4107 17.0029 17.0029 k = 0.2195 0.3802-0.0000 ( 1371 PWs) bands (ev): -23.3769 -23.3769 -23.3141 -23.3141 -9.6720 -9.6720 -8.7275 -8.7275 -4.9896 -4.9896 -4.1917 -4.1917 -2.9839 -2.9839 -2.6078 -2.6078 -2.5092 -2.5092 -2.0802 -2.0802 3.5184 3.5184 3.7664 3.7664 4.9022 4.9022 5.3258 5.3258 15.3616 15.3616 17.0190 17.0190 k = 0.2154 0.3732-0.0000 ( 1373 PWs) bands (ev): -23.3924 -23.3924 -23.3271 -23.3271 -9.7123 -9.7123 -8.7343 -8.7343 -4.9957 -4.9957 -4.1639 -4.1639 -2.9621 -2.9621 -2.5660 -2.5660 -2.4835 -2.4835 -2.0668 -2.0668 3.5588 3.5588 3.7897 3.7897 4.9405 4.9405 5.3575 5.3575 15.3120 15.3120 17.0346 17.0346 k = 0.2114 0.3661-0.0000 ( 1373 PWs) bands (ev): -23.4082 -23.4082 -23.3405 -23.3405 -9.7529 -9.7529 -8.7419 -8.7419 -5.0010 -5.0010 -4.1339 -4.1339 -2.9418 -2.9418 -2.5252 -2.5252 -2.4554 -2.4554 -2.0531 -2.0531 3.6013 3.6013 3.8153 3.8153 4.9784 4.9784 5.3889 5.3889 15.2620 15.2620 17.0495 17.0495 k = 0.2073 0.3591-0.0000 ( 1369 PWs) bands (ev): -23.4243 -23.4243 -23.3543 -23.3543 -9.7938 -9.7938 -8.7503 -8.7503 -5.0057 -5.0057 -4.1016 -4.1016 -2.9224 -2.9224 -2.4855 -2.4855 -2.4253 -2.4253 -2.0391 -2.0391 3.6460 3.6460 3.8432 3.8432 5.0157 5.0157 5.4199 5.4199 15.2118 15.2118 17.0638 17.0638 k = 0.2033 0.3520-0.0000 ( 1365 PWs) bands (ev): -23.4408 -23.4408 -23.3684 -23.3684 -9.8350 -9.8350 -8.7594 -8.7594 -5.0097 -5.0097 -4.0670 -4.0670 -2.9036 -2.9036 -2.4469 -2.4469 -2.3937 -2.3937 -2.0249 -2.0249 3.6926 3.6926 3.8733 3.8733 5.0524 5.0524 5.4503 5.4503 15.1614 15.1614 17.0774 17.0774 k = 0.1992 0.3450-0.0000 ( 1367 PWs) bands (ev): -23.4576 -23.4576 -23.3829 -23.3829 -9.8764 -9.8764 -8.7692 -8.7692 -5.0133 -5.0133 -4.0304 -4.0304 -2.8848 -2.8848 -2.4095 -2.4095 -2.3609 -2.3609 -2.0102 -2.0102 3.7411 3.7411 3.9055 3.9055 5.0885 5.0885 5.4803 5.4803 15.1108 15.1108 17.0905 17.0905 k = 0.1951 0.3380-0.0000 ( 1367 PWs) bands (ev): -23.4747 -23.4747 -23.3977 -23.3977 -9.9179 -9.9179 -8.7796 -8.7796 -5.0165 -5.0165 -3.9916 -3.9916 -2.8658 -2.8658 -2.3736 -2.3736 -2.3272 -2.3272 -1.9951 -1.9951 3.7914 3.7914 3.9397 3.9397 5.1240 5.1240 5.5097 5.5097 15.0602 15.0602 17.1030 17.1030 k = 0.1911 0.3309-0.0000 ( 1371 PWs) bands (ev): -23.4921 -23.4921 -23.4127 -23.4127 -9.9595 -9.9595 -8.7907 -8.7907 -5.0195 -5.0195 -3.9509 -3.9509 -2.8461 -2.8461 -2.3391 -2.3391 -2.2930 -2.2930 -1.9793 -1.9793 3.8434 3.8434 3.9760 3.9760 5.1587 5.1587 5.5386 5.5386 15.0095 15.0095 17.1147 17.1147 k = 0.1870 0.3239-0.0000 ( 1375 PWs) bands (ev): -23.5097 -23.5097 -23.4280 -23.4280 -10.0012 -10.0012 -8.8023 -8.8023 -5.0224 -5.0224 -3.9082 -3.9082 -2.8257 -2.8257 -2.3063 -2.3063 -2.2583 -2.2583 -1.9629 -1.9629 3.8971 3.8971 4.0141 4.0141 5.1928 5.1928 5.5669 5.5669 14.9588 14.9588 17.1259 17.1259 k = 0.1829 0.3168-0.0000 ( 1379 PWs) bands (ev): -23.5275 -23.5275 -23.4435 -23.4435 -10.0428 -10.0428 -8.8146 -8.8146 -5.0252 -5.0252 -3.8638 -3.8638 -2.8041 -2.8041 -2.2751 -2.2751 -2.2236 -2.2236 -1.9456 -1.9456 3.9523 3.9523 4.0541 4.0541 5.2262 5.2262 5.5946 5.5946 14.9081 14.9081 17.1364 17.1364 k = 0.1789 0.3098-0.0000 ( 1379 PWs) bands (ev): -23.5455 -23.5455 -23.4592 -23.4592 -10.0844 -10.0844 -8.8273 -8.8273 -5.0280 -5.0280 -3.8175 -3.8175 -2.7811 -2.7811 -2.2457 -2.2457 -2.1888 -2.1888 -1.9276 -1.9276 4.0090 4.0090 4.0959 4.0959 5.2589 5.2589 5.6218 5.6218 14.8576 14.8576 17.1462 17.1462 k = 0.1748 0.3028-0.0000 ( 1383 PWs) bands (ev): -23.5636 -23.5636 -23.4751 -23.4751 -10.1258 -10.1258 -8.8405 -8.8405 -5.0310 -5.0310 -3.7697 -3.7697 -2.7567 -2.7567 -2.2181 -2.2181 -2.1543 -2.1543 -1.9086 -1.9086 4.0670 4.0670 4.1393 4.1393 5.2908 5.2908 5.6482 5.6482 14.8073 14.8073 17.1554 17.1554 k = 0.1707 0.2957-0.0000 ( 1383 PWs) bands (ev): -23.5818 -23.5818 -23.4911 -23.4911 -10.1671 -10.1671 -8.8542 -8.8542 -5.0342 -5.0342 -3.7204 -3.7204 -2.7308 -2.7308 -2.1923 -2.1923 -2.1200 -2.1200 -1.8888 -1.8888 4.1263 4.1263 4.1843 4.1843 5.3219 5.3219 5.6741 5.6741 14.7572 14.7572 17.1640 17.1640 k = 0.1667 0.2887-0.0000 ( 1379 PWs) bands (ev): -23.6001 -23.6001 -23.5073 -23.5073 -10.2080 -10.2080 -8.8682 -8.8682 -5.0377 -5.0377 -3.6696 -3.6696 -2.7031 -2.7031 -2.1683 -2.1683 -2.0862 -2.0862 -1.8680 -1.8680 4.1867 4.1867 4.2308 4.2308 5.3524 5.3524 5.6994 5.6994 14.7073 14.7073 17.1719 17.1719 k = 0.1626 0.2816-0.0000 ( 1379 PWs) bands (ev): -23.6184 -23.6184 -23.5235 -23.5235 -10.2488 -10.2488 -8.8826 -8.8826 -5.0414 -5.0414 -3.6176 -3.6176 -2.6738 -2.6738 -2.1460 -2.1460 -2.0528 -2.0528 -1.8465 -1.8465 4.2481 4.2481 4.2786 4.2786 5.3820 5.3820 5.7240 5.7240 14.6578 14.6578 17.1792 17.1792 k = 0.1585 0.2746-0.0000 ( 1379 PWs) bands (ev): -23.6368 -23.6368 -23.5398 -23.5398 -10.2891 -10.2891 -8.8973 -8.8973 -5.0456 -5.0456 -3.5644 -3.5644 -2.6428 -2.6428 -2.1253 -2.1253 -2.0200 -2.0200 -1.8242 -1.8242 4.3105 4.3105 4.3278 4.3278 5.4109 5.4109 5.7480 5.7480 14.6087 14.6087 17.1858 17.1858 k = 0.1545 0.2676-0.0000 ( 1379 PWs) bands (ev): -23.6552 -23.6552 -23.5561 -23.5561 -10.3291 -10.3291 -8.9123 -8.9123 -5.0501 -5.0501 -3.5102 -3.5102 -2.6100 -2.6100 -2.1060 -2.1060 -1.9879 -1.9879 -1.8014 -1.8014 4.3735 4.3735 4.3782 4.3782 5.4390 5.4390 5.7713 5.7713 14.5599 14.5599 17.1918 17.1918 k = 0.1504 0.2605-0.0000 ( 1379 PWs) bands (ev): -23.6735 -23.6735 -23.5724 -23.5724 -10.3686 -10.3686 -8.9275 -8.9275 -5.0550 -5.0550 -3.4552 -3.4552 -2.5755 -2.5755 -2.0880 -2.0880 -1.9564 -1.9564 -1.7781 -1.7781 4.4292 4.4292 4.4376 4.4376 5.4663 5.4663 5.7939 5.7939 14.5117 14.5117 17.1972 17.1972 k = 0.1463 0.2535-0.0000 ( 1375 PWs) bands (ev): -23.6917 -23.6917 -23.5887 -23.5887 -10.4076 -10.4076 -8.9429 -8.9429 -5.0604 -5.0604 -3.3995 -3.3995 -2.5393 -2.5393 -2.0709 -2.0709 -1.9257 -1.9257 -1.7546 -1.7546 4.4814 4.4814 4.5019 4.5019 5.4929 5.4929 5.8159 5.8159 14.4640 14.4640 17.2019 17.2019 k = 0.1423 0.2464-0.0000 ( 1375 PWs) bands (ev): -23.7099 -23.7099 -23.6050 -23.6050 -10.4461 -10.4461 -8.9585 -8.9585 -5.0661 -5.0661 -3.3433 -3.3433 -2.5015 -2.5015 -2.0548 -2.0548 -1.8957 -1.8957 -1.7309 -1.7309 4.5345 4.5345 4.5667 4.5667 5.5186 5.5186 5.8372 5.8372 14.4168 14.4168 17.2059 17.2059 k = 0.1382 0.2394-0.0000 ( 1379 PWs) bands (ev): -23.7280 -23.7280 -23.6211 -23.6211 -10.4841 -10.4841 -8.9741 -8.9741 -5.0723 -5.0723 -3.2867 -3.2867 -2.4622 -2.4622 -2.0393 -2.0393 -1.8664 -1.8664 -1.7073 -1.7073 4.5881 4.5881 4.6318 4.6318 5.5434 5.5434 5.8578 5.8578 14.3702 14.3702 17.2092 17.2092 k = 0.1341 0.2323-0.0000 ( 1379 PWs) bands (ev): -23.7458 -23.7458 -23.6371 -23.6371 -10.5214 -10.5214 -8.9898 -8.9898 -5.0789 -5.0789 -3.2300 -3.2300 -2.4215 -2.4215 -2.0242 -2.0242 -1.8380 -1.8380 -1.6838 -1.6838 4.6424 4.6424 4.6971 4.6971 5.5676 5.5676 5.8777 5.8777 14.3243 14.3243 17.2090 17.2092 k = 0.1301 0.2253-0.0000 ( 1377 PWs) bands (ev): -23.7635 -23.7635 -23.6530 -23.6530 -10.5580 -10.5580 -9.0055 -9.0055 -5.0859 -5.0859 -3.1733 -3.1733 -2.3795 -2.3795 -2.0094 -2.0094 -1.8105 -1.8105 -1.6606 -1.6606 4.6970 4.6970 4.7625 4.7625 5.5910 5.5910 5.8970 5.8970 14.2791 14.2791 17.1381 17.1382 k = 0.1260 0.2183-0.0000 ( 1377 PWs) bands (ev): -23.7810 -23.7810 -23.6687 -23.6687 -10.5939 -10.5939 -9.0212 -9.0212 -5.0932 -5.0932 -3.1169 -3.1169 -2.3362 -2.3362 -1.9948 -1.9948 -1.7838 -1.7838 -1.6377 -1.6377 4.7520 4.7520 4.8278 4.8278 5.6137 5.6137 5.9156 5.9156 14.2346 14.2346 17.0529 17.0529 k = 0.1220 0.2112-0.0000 ( 1379 PWs) bands (ev): -23.7983 -23.7983 -23.6843 -23.6843 -10.6290 -10.6290 -9.0368 -9.0368 -5.1009 -5.1009 -3.0610 -3.0610 -2.2920 -2.2920 -1.9800 -1.9800 -1.7579 -1.7579 -1.6153 -1.6153 4.8071 4.8071 4.8928 4.8928 5.6355 5.6355 5.9334 5.9334 14.1909 14.1909 16.9669 16.9669 k = 0.1179 0.2042-0.0000 ( 1379 PWs) bands (ev): -23.8152 -23.8152 -23.6996 -23.6996 -10.6634 -10.6634 -9.0523 -9.0523 -5.1088 -5.1088 -3.0058 -3.0058 -2.2467 -2.2467 -1.9650 -1.9650 -1.7330 -1.7330 -1.5934 -1.5934 4.8622 4.8622 4.9574 4.9574 5.6567 5.6567 5.9506 5.9506 14.1481 14.1481 16.8807 16.8807 k = 0.1138 0.1971-0.0000 ( 1383 PWs) bands (ev): -23.8319 -23.8319 -23.7146 -23.7146 -10.6970 -10.6970 -9.0677 -9.0677 -5.1170 -5.1170 -2.9516 -2.9516 -2.2008 -2.2008 -1.9496 -1.9496 -1.7089 -1.7089 -1.5720 -1.5720 4.9173 4.9173 5.0216 5.0216 5.6772 5.6772 5.9672 5.9672 14.1061 14.1061 16.7943 16.7943 k = 0.1098 0.1901-0.0000 ( 1379 PWs) bands (ev): -23.8482 -23.8482 -23.7294 -23.7294 -10.7296 -10.7296 -9.0829 -9.0829 -5.1254 -5.1254 -2.8987 -2.8987 -2.1542 -2.1542 -1.9336 -1.9336 -1.6857 -1.6857 -1.5513 -1.5513 4.9721 4.9721 5.0850 5.0850 5.6969 5.6969 5.9830 5.9830 14.0650 14.0650 16.7082 16.7082 k = 0.1057 0.1831-0.0000 ( 1375 PWs) bands (ev): -23.8642 -23.8642 -23.7439 -23.7439 -10.7614 -10.7614 -9.0978 -9.0978 -5.1339 -5.1339 -2.8472 -2.8472 -2.1072 -2.1072 -1.9169 -1.9169 -1.6633 -1.6633 -1.5311 -1.5311 5.0265 5.0265 5.1476 5.1476 5.7161 5.7161 5.9982 5.9982 14.0249 14.0249 16.6225 16.6225 k = 0.1016 0.1760-0.0000 ( 1375 PWs) bands (ev): -23.8798 -23.8798 -23.7580 -23.7580 -10.7923 -10.7923 -9.1125 -9.1125 -5.1426 -5.1426 -2.7975 -2.7975 -2.0599 -2.0599 -1.8993 -1.8993 -1.6419 -1.6419 -1.5117 -1.5117 5.0804 5.0804 5.2093 5.2093 5.7346 5.7346 6.0127 6.0127 13.9858 13.9858 16.5375 16.5375 k = 0.0976 0.1690-0.0000 ( 1375 PWs) bands (ev): -23.8950 -23.8950 -23.7718 -23.7718 -10.8222 -10.8222 -9.1269 -9.1269 -5.1513 -5.1513 -2.7498 -2.7498 -2.0126 -2.0126 -1.8807 -1.8807 -1.6213 -1.6213 -1.4931 -1.4931 5.1337 5.1337 5.2697 5.2697 5.7525 5.7525 6.0265 6.0265 13.9478 13.9478 16.4535 16.4536 k = 0.0935 0.1619-0.0000 ( 1379 PWs) bands (ev): -23.9098 -23.9098 -23.7852 -23.7852 -10.8511 -10.8511 -9.1410 -9.1410 -5.1601 -5.1601 -2.7043 -2.7043 -1.9653 -1.9653 -1.8611 -1.8611 -1.6017 -1.6017 -1.4751 -1.4751 5.1861 5.1861 5.3287 5.3287 5.7698 5.7698 6.0396 6.0396 13.9109 13.9109 16.3706 16.3706 k = 0.0894 0.1549-0.0000 ( 1379 PWs) bands (ev): -23.9241 -23.9241 -23.7982 -23.7982 -10.8790 -10.8790 -9.1548 -9.1548 -5.1688 -5.1688 -2.6613 -2.6613 -1.9184 -1.9184 -1.8402 -1.8402 -1.5828 -1.5828 -1.4579 -1.4579 5.2376 5.2376 5.3862 5.3862 5.7868 5.7868 6.0521 6.0521 13.8751 13.8751 16.2891 16.2891 k = 0.0854 0.1479-0.0000 ( 1379 PWs) bands (ev): -23.9380 -23.9380 -23.8108 -23.8108 -10.9058 -10.9058 -9.1681 -9.1681 -5.1775 -5.1775 -2.6210 -2.6210 -1.8719 -1.8719 -1.8180 -1.8180 -1.5649 -1.5649 -1.4415 -1.4415 5.2881 5.2881 5.4418 5.4418 5.8034 5.8034 6.0639 6.0639 13.8404 13.8404 16.2092 16.2092 k = 0.0813 0.1408-0.0000 ( 1383 PWs) bands (ev): -23.9514 -23.9514 -23.8230 -23.8230 -10.9315 -10.9315 -9.1811 -9.1811 -5.1861 -5.1861 -2.5834 -2.5834 -1.8261 -1.8261 -1.7947 -1.7947 -1.5477 -1.5477 -1.4258 -1.4258 5.3374 5.3374 5.4954 5.4954 5.8199 5.8199 6.0750 6.0750 13.8070 13.8070 16.1126 16.1126 k = 0.0772 0.1338-0.0000 ( 1383 PWs) bands (ev): -23.9642 -23.9642 -23.8347 -23.8347 -10.9562 -10.9562 -9.1935 -9.1935 -5.1945 -5.1945 -2.5487 -2.5487 -1.7811 -1.7811 -1.7702 -1.7702 -1.5314 -1.5314 -1.4109 -1.4109 5.3854 5.3854 5.5466 5.5466 5.8363 5.8363 6.0855 6.0855 13.7748 13.7748 16.0193 16.0193 k = 0.0732 0.1267-0.0000 ( 1379 PWs) bands (ev): -23.9765 -23.9765 -23.8460 -23.8460 -10.9797 -10.9797 -9.2056 -9.2056 -5.2028 -5.2028 -2.5169 -2.5169 -1.7447 -1.7447 -1.7372 -1.7372 -1.5159 -1.5159 -1.3968 -1.3968 5.4319 5.4319 5.5951 5.5951 5.8530 5.8530 6.0954 6.0954 13.7440 13.7440 15.9294 15.9295 k = 0.0691 0.1197-0.0000 ( 1375 PWs) bands (ev): -23.9883 -23.9883 -23.8567 -23.8567 -11.0021 -11.0021 -9.2171 -9.2171 -5.2108 -5.2108 -2.4879 -2.4879 -1.7182 -1.7182 -1.6946 -1.6946 -1.5010 -1.5010 -1.3834 -1.3834 5.4768 5.4768 5.6403 5.6403 5.8702 5.8702 6.1046 6.1046 13.7145 13.7145 15.8432 15.8432 k = 0.0650 0.1127-0.0000 ( 1383 PWs) bands (ev): -23.9995 -23.9995 -23.8669 -23.8669 -11.0233 -11.0233 -9.2281 -9.2281 -5.2186 -5.2186 -2.4618 -2.4618 -1.6913 -1.6913 -1.6536 -1.6536 -1.4870 -1.4870 -1.3709 -1.3709 5.5200 5.5200 5.6819 5.6819 5.8882 5.8882 6.1130 6.1130 13.6864 13.6864 15.7608 15.7608 k = 0.0610 0.1056-0.0000 ( 1379 PWs) bands (ev): -24.0101 -24.0101 -23.8766 -23.8766 -11.0433 -11.0433 -9.2385 -9.2385 -5.2260 -5.2260 -2.4383 -2.4383 -1.6638 -1.6638 -1.6142 -1.6142 -1.4736 -1.4736 -1.3591 -1.3591 5.5613 5.5613 5.7193 5.7193 5.9075 5.9075 6.1209 6.1209 13.6598 13.6598 15.6823 15.6823 k = 0.0569 0.0986-0.0000 ( 1387 PWs) bands (ev): -24.0200 -24.0200 -23.8857 -23.8857 -11.0622 -11.0622 -9.2484 -9.2484 -5.2332 -5.2332 -2.4174 -2.4174 -1.6363 -1.6363 -1.5770 -1.5770 -1.4606 -1.4606 -1.3481 -1.3481 5.6006 5.6006 5.7520 5.7520 5.9285 5.9285 6.1282 6.1282 13.6346 13.6346 15.6080 15.6080 k = 0.0528 0.0915-0.0000 ( 1383 PWs) bands (ev): -24.0294 -24.0294 -23.8943 -23.8943 -11.0798 -11.0798 -9.2576 -9.2576 -5.2400 -5.2400 -2.3988 -2.3988 -1.6091 -1.6091 -1.5421 -1.5421 -1.4479 -1.4479 -1.3379 -1.3379 5.6379 5.6379 5.7799 5.7799 5.9511 5.9511 6.1349 6.1349 13.6110 13.6110 15.5380 15.5380 k = 0.0488 0.0845-0.0000 ( 1383 PWs) bands (ev): -24.0381 -24.0381 -23.9022 -23.9022 -11.0961 -11.0961 -9.2663 -9.2663 -5.2464 -5.2464 -2.3824 -2.3824 -1.5825 -1.5825 -1.5103 -1.5103 -1.4350 -1.4350 -1.3284 -1.3284 5.6730 5.6730 5.8032 5.8032 5.9751 5.9751 6.1410 6.1410 13.5889 13.5889 15.4724 15.4724 k = 0.0447 0.0774-0.0000 ( 1383 PWs) bands (ev): -24.0462 -24.0462 -23.9096 -23.9096 -11.1112 -11.1112 -9.2743 -9.2743 -5.2523 -5.2523 -2.3681 -2.3681 -1.5567 -1.5567 -1.4824 -1.4824 -1.4212 -1.4212 -1.3197 -1.3197 5.7058 5.7058 5.8225 5.8225 5.9999 5.9999 6.1465 6.1465 13.5684 13.5684 15.4115 15.4115 k = 0.0407 0.0704-0.0000 ( 1383 PWs) bands (ev): -24.0537 -24.0537 -23.9164 -23.9164 -11.1250 -11.1250 -9.2817 -9.2817 -5.2579 -5.2579 -2.3555 -2.3555 -1.5322 -1.5322 -1.4593 -1.4593 -1.4057 -1.4057 -1.3118 -1.3118 5.7360 5.7360 5.8383 5.8383 6.0246 6.0246 6.1515 6.1515 13.5496 13.5496 15.3553 15.3553 k = 0.0366 0.0634-0.0000 ( 1383 PWs) bands (ev): -24.0604 -24.0604 -23.9226 -23.9226 -11.1376 -11.1376 -9.2885 -9.2885 -5.2629 -5.2629 -2.3447 -2.3447 -1.5091 -1.5091 -1.4417 -1.4417 -1.3880 -1.3880 -1.3045 -1.3045 5.7637 5.7637 5.8514 5.8514 6.0485 6.0485 6.1560 6.1560 13.5324 13.5324 15.3040 15.3040 k = 0.0325 0.0563-0.0000 ( 1379 PWs) bands (ev): -24.0665 -24.0665 -23.9282 -23.9282 -11.1489 -11.1489 -9.2945 -9.2945 -5.2675 -5.2675 -2.3353 -2.3353 -1.4880 -1.4880 -1.4286 -1.4286 -1.3691 -1.3691 -1.2979 -1.2979 5.7887 5.7887 5.8625 5.8625 6.0708 6.0708 6.1601 6.1601 13.5169 13.5169 15.2578 15.2578 k = 0.0285 0.0493-0.0000 ( 1377 PWs) bands (ev): -24.0718 -24.0718 -23.9331 -23.9331 -11.1588 -11.1588 -9.2999 -9.2999 -5.2716 -5.2716 -2.3274 -2.3274 -1.4689 -1.4689 -1.4185 -1.4185 -1.3507 -1.3507 -1.2919 -1.2919 5.8106 5.8106 5.8719 5.8719 6.0910 6.0910 6.1638 6.1638 13.5032 13.5032 15.2167 15.2167 k = 0.0244 0.0422-0.0000 ( 1375 PWs) bands (ev): -24.0765 -24.0765 -23.9374 -23.9374 -11.1675 -11.1675 -9.3046 -9.3046 -5.2752 -5.2752 -2.3207 -2.3207 -1.4523 -1.4523 -1.4102 -1.4102 -1.3340 -1.3340 -1.2864 -1.2864 5.8294 5.8294 5.8802 5.8802 6.1087 6.1087 6.1675 6.1675 13.4913 13.4913 15.1809 15.1809 k = 0.0203 0.0352-0.0000 ( 1379 PWs) bands (ev): -24.0805 -24.0805 -23.9410 -23.9410 -11.1748 -11.1748 -9.3086 -9.3086 -5.2783 -5.2783 -2.3152 -2.3152 -1.4384 -1.4384 -1.4032 -1.4032 -1.3199 -1.3199 -1.2813 -1.2813 5.8448 5.8448 5.8875 5.8875 6.1233 6.1233 6.1711 6.1711 13.4811 13.4811 15.1504 15.1504 k = 0.0163 0.0282-0.0000 ( 1375 PWs) bands (ev): -24.0837 -24.0837 -23.9440 -23.9440 -11.1808 -11.1808 -9.3118 -9.3118 -5.2808 -5.2808 -2.3108 -2.3108 -1.4274 -1.4274 -1.3969 -1.3969 -1.3086 -1.3086 -1.2764 -1.2764 5.8568 5.8568 5.8942 5.8942 6.1347 6.1347 6.1749 6.1749 13.4728 13.4728 15.1253 15.1253 k = 0.0122 0.0211-0.0000 ( 1379 PWs) bands (ev): -24.0863 -24.0863 -23.9463 -23.9463 -11.1855 -11.1855 -9.3144 -9.3144 -5.2828 -5.2828 -2.3074 -2.3074 -1.4193 -1.4193 -1.3915 -1.3915 -1.3005 -1.3005 -1.2719 -1.2719 5.8655 5.8655 5.9000 5.9000 6.1427 6.1427 6.1787 6.1787 13.4663 13.4663 15.1057 15.1057 k = 0.0081 0.0141-0.0000 ( 1383 PWs) bands (ev): -24.0881 -24.0881 -23.9480 -23.9480 -11.1888 -11.1888 -9.3162 -9.3162 -5.2842 -5.2842 -2.3051 -2.3051 -1.4140 -1.4140 -1.3872 -1.3872 -1.2953 -1.2953 -1.2681 -1.2681 5.8712 5.8712 5.9047 5.9047 6.1477 6.1477 6.1821 6.1821 13.4616 13.4616 15.0917 15.0917 k = 0.0041 0.0070-0.0000 ( 1383 PWs) bands (ev): -24.0892 -24.0892 -23.9490 -23.9490 -11.1908 -11.1908 -9.3173 -9.3173 -5.2850 -5.2850 -2.3037 -2.3037 -1.4110 -1.4110 -1.3844 -1.3844 -1.2923 -1.2923 -1.2654 -1.2654 5.8744 5.8744 5.9077 5.9077 6.1503 6.1503 6.1844 6.1844 13.4588 13.4588 15.0833 15.0833 k = 0.0000 0.0000 0.0000 ( 1383 PWs) bands (ev): -24.0896 -24.0896 -23.9493 -23.9493 -11.1915 -11.1915 -9.3177 -9.3177 -5.2853 -5.2853 -2.3032 -2.3032 -1.4101 -1.4101 -1.3834 -1.3834 -1.2914 -1.2914 -1.2645 -1.2645 5.8755 5.8755 5.9087 5.9087 6.1512 6.1512 6.1853 6.1853 13.4579 13.4579 15.0805 15.0805 k = 0.0000 0.0000 0.0000 ( 1383 PWs) bands (ev): -24.0896 -24.0896 -23.9493 -23.9493 -11.1915 -11.1915 -9.3177 -9.3177 -5.2853 -5.2853 -2.3032 -2.3032 -1.4101 -1.4101 -1.3834 -1.3834 -1.2914 -1.2914 -1.2645 -1.2645 5.8755 5.8755 5.9087 5.9087 6.1512 6.1512 6.1853 6.1853 13.4579 13.4579 15.0805 15.0805 k = 0.0000 0.0000 0.0081 ( 1383 PWs) bands (ev): -24.0894 -24.0894 -23.9495 -23.9495 -11.1901 -11.1901 -9.3209 -9.3209 -5.2811 -5.2811 -2.3061 -2.3061 -1.4100 -1.4100 -1.3833 -1.3833 -1.2915 -1.2915 -1.2646 -1.2646 5.8757 5.8757 5.9090 5.9090 6.1509 6.1509 6.1850 6.1850 13.4607 13.4607 15.0820 15.0820 k = 0.0000 0.0000 0.0162 ( 1383 PWs) bands (ev): -24.0890 -24.0890 -23.9499 -23.9499 -11.1857 -11.1857 -9.3304 -9.3304 -5.2684 -5.2684 -2.3146 -2.3146 -1.4096 -1.4096 -1.3829 -1.3829 -1.2919 -1.2919 -1.2650 -1.2650 5.8766 5.8766 5.9099 5.9099 6.1500 6.1500 6.1841 6.1841 13.4693 13.4693 15.0866 15.0866 k = 0.0000 0.0000 0.0243 ( 1371 PWs) bands (ev): -24.0882 -24.0882 -23.9507 -23.9507 -11.1785 -11.1785 -9.3462 -9.3462 -5.2476 -5.2476 -2.3288 -2.3288 -1.4090 -1.4090 -1.3823 -1.3823 -1.2926 -1.2926 -1.2657 -1.2657 5.8781 5.8781 5.9114 5.9114 6.1485 6.1485 6.1826 6.1826 13.4835 13.4835 15.0942 15.0942 k = 0.0000 0.0000 0.0325 ( 1371 PWs) bands (ev): -24.0872 -24.0872 -23.9517 -23.9517 -11.1685 -11.1685 -9.3679 -9.3679 -5.2188 -5.2188 -2.3485 -2.3485 -1.4081 -1.4081 -1.3814 -1.3814 -1.2935 -1.2935 -1.2666 -1.2666 5.8802 5.8802 5.9135 5.9135 6.1465 6.1465 6.1806 6.1806 13.5032 13.5032 15.1050 15.1050 k = 0.0000 0.0000 0.0406 ( 1359 PWs) bands (ev): -24.0859 -24.0859 -23.9531 -23.9531 -11.1555 -11.1555 -9.3953 -9.3953 -5.1823 -5.1823 -2.3738 -2.3738 -1.4070 -1.4070 -1.3803 -1.3803 -1.2946 -1.2946 -1.2677 -1.2677 5.8828 5.8828 5.9161 5.9161 6.1440 6.1440 6.1781 6.1781 13.5282 13.5282 15.1189 15.1189 k = 0.0000 0.0000 0.0487 ( 1359 PWs) bands (ev): -24.0843 -24.0843 -23.9548 -23.9548 -11.1398 -11.1398 -9.4279 -9.4279 -5.1387 -5.1387 -2.4045 -2.4045 -1.4057 -1.4057 -1.3790 -1.3790 -1.2960 -1.2960 -1.2691 -1.2691 5.8860 5.8860 5.9193 5.9193 6.1408 6.1408 6.1749 6.1749 13.5583 13.5583 15.1361 15.1361 k = 0.0000 0.0000 0.0568 ( 1359 PWs) bands (ev): -24.0825 -24.0825 -23.9567 -23.9567 -11.1212 -11.1212 -9.4654 -9.4654 -5.0882 -5.0882 -2.4404 -2.4404 -1.4041 -1.4041 -1.3774 -1.3774 -1.2977 -1.2977 -1.2708 -1.2708 5.8897 5.8897 5.9231 5.9231 6.1371 6.1371 6.1712 6.1712 13.5932 13.5932 15.1566 15.1566 k = 0.0000 0.0000 0.0649 ( 1365 PWs) bands (ev): -24.0804 -24.0804 -23.9589 -23.9589 -11.0999 -11.0999 -9.5073 -9.5073 -5.0314 -5.0314 -2.4816 -2.4816 -1.4023 -1.4023 -1.3756 -1.3756 -1.2996 -1.2996 -1.2727 -1.2727 5.8940 5.8940 5.9273 5.9273 6.1327 6.1327 6.1668 6.1668 13.6327 13.6327 15.1675 15.1675 k = 0.0000 0.0000 0.0730 ( 1365 PWs) bands (ev): -24.0780 -24.0780 -23.9614 -23.9614 -11.0759 -11.0759 -9.5531 -9.5531 -4.9689 -4.9689 -2.5277 -2.5277 -1.4003 -1.4003 -1.3736 -1.3736 -1.3017 -1.3017 -1.2748 -1.2748 5.8988 5.8988 5.9321 5.9321 6.1280 6.1280 6.1620 6.1620 13.6764 13.6764 15.1424 15.1424 k = 0.0000 0.0000 0.0811 ( 1359 PWs) bands (ev): -24.0754 -24.0754 -23.9641 -23.9641 -11.0491 -11.0491 -9.6024 -9.6024 -4.9011 -4.9011 -2.5785 -2.5785 -1.3981 -1.3981 -1.3714 -1.3714 -1.3040 -1.3040 -1.2771 -1.2771 5.9040 5.9040 5.9374 5.9374 6.1227 6.1227 6.1567 6.1567 13.7238 13.7238 15.1149 15.1149 k = 0.0000 0.0000 0.0893 ( 1353 PWs) bands (ev): -24.0725 -24.0725 -23.9670 -23.9670 -11.0197 -11.0197 -9.6546 -9.6546 -4.8286 -4.8286 -2.6340 -2.6340 -1.3957 -1.3957 -1.3690 -1.3690 -1.3065 -1.3065 -1.2796 -1.2796 5.9098 5.9098 5.9432 5.9432 6.1170 6.1170 6.1510 6.1510 13.7746 13.7746 15.0851 15.0851 k = 0.0000 0.0000 0.0974 ( 1347 PWs) bands (ev): -24.0694 -24.0694 -23.9702 -23.9702 -10.9877 -10.9877 -9.7093 -9.7093 -4.7518 -4.7518 -2.6938 -2.6938 -1.3931 -1.3931 -1.3664 -1.3664 -1.3092 -1.3092 -1.2823 -1.2823 5.9160 5.9160 5.9494 5.9494 6.1108 6.1108 6.1448 6.1448 13.8283 13.8283 15.0532 15.0532 k = 0.0000 0.0000 0.1055 ( 1347 PWs) bands (ev): -24.0661 -24.0661 -23.9737 -23.9737 -10.9532 -10.9532 -9.7661 -9.7661 -4.6714 -4.6714 -2.7578 -2.7578 -1.3903 -1.3903 -1.3636 -1.3636 -1.3121 -1.3121 -1.2852 -1.2852 5.9226 5.9226 5.9560 5.9560 6.1043 6.1043 6.1382 6.1382 13.8844 13.8844 15.0192 15.0192 k = 0.0000 0.0000 0.1136 ( 1347 PWs) bands (ev): -24.0626 -24.0626 -23.9773 -23.9773 -10.9162 -10.9162 -9.8246 -9.8246 -4.5877 -4.5877 -2.8257 -2.8257 -1.3874 -1.3874 -1.3607 -1.3607 -1.3151 -1.3151 -1.2883 -1.2883 5.9296 5.9296 5.9630 5.9630 6.0973 6.0973 6.1312 6.1312 13.9424 13.9424 14.9833 14.9833 k = 0.0000 0.0000 0.1217 ( 1347 PWs) bands (ev): -24.0590 -24.0590 -23.9811 -23.9811 -10.8768 -10.8768 -9.8843 -9.8843 -4.5012 -4.5012 -2.8974 -2.8974 -1.3843 -1.3843 -1.3575 -1.3575 -1.3184 -1.3184 -1.2915 -1.2915 5.9369 5.9369 5.9704 5.9704 6.0900 6.0900 6.1239 6.1239 14.0018 14.0018 14.9455 14.9455 k = 0.0000 0.0000 0.1298 ( 1347 PWs) bands (ev): -24.0551 -24.0551 -23.9850 -23.9850 -10.8350 -10.8350 -9.9450 -9.9450 -4.4124 -4.4124 -2.9725 -2.9725 -1.3810 -1.3810 -1.3543 -1.3543 -1.3217 -1.3217 -1.2948 -1.2948 5.9446 5.9446 5.9781 5.9781 6.0823 6.0823 6.1162 6.1162 14.0620 14.0620 14.9059 14.9059 k = 0.0000 0.0000 0.1379 ( 1335 PWs) bands (ev): -24.0511 -24.0511 -23.9891 -23.9891 -10.7910 -10.7910 -10.0062 -10.0062 -4.3217 -4.3217 -3.0506 -3.0506 -1.3776 -1.3776 -1.3509 -1.3509 -1.3252 -1.3252 -1.2983 -1.2983 5.9526 5.9526 5.9861 5.9861 6.0746 6.0746 6.1084 6.1084 14.1228 14.1228 14.8646 14.8646 k = 0.0000 0.0000 0.1461 ( 1335 PWs) bands (ev): -24.0470 -24.0470 -23.9933 -23.9933 -10.7449 -10.7449 -10.0678 -10.0678 -4.2294 -4.2294 -3.1318 -3.1318 -1.3741 -1.3741 -1.3474 -1.3474 -1.3287 -1.3287 -1.3019 -1.3019 5.9608 5.9608 5.9944 5.9944 6.0664 6.0664 6.1002 6.1002 14.1835 14.1835 14.8216 14.8216 k = 0.0000 0.0000 0.1542 ( 1335 PWs) bands (ev): -24.0428 -24.0428 -23.9977 -23.9977 -10.6966 -10.6966 -10.1293 -10.1293 -4.1361 -4.1361 -3.2156 -3.2156 -1.3705 -1.3705 -1.3438 -1.3438 -1.3324 -1.3324 -1.3056 -1.3056 5.9693 5.9693 6.0028 6.0028 6.0579 6.0579 6.0917 6.0917 14.2438 14.2438 14.7770 14.7770 k = 0.0000 0.0000 0.1623 ( 1335 PWs) bands (ev): -24.0384 -24.0384 -24.0021 -24.0021 -10.6465 -10.6465 -10.1906 -10.1906 -4.0419 -4.0419 -3.3019 -3.3019 -1.3669 -1.3669 -1.3401 -1.3401 -1.3361 -1.3361 -1.3093 -1.3093 5.9779 5.9779 6.0115 6.0115 6.0493 6.0493 6.0831 6.0831 14.3033 14.3033 14.7307 14.7307 k = 0.0000 0.0000 0.1704 ( 1341 PWs) bands (ev): -24.0340 -24.0340 -24.0066 -24.0066 -10.5945 -10.5945 -10.2514 -10.2514 -3.9474 -3.9474 -3.3902 -3.3902 -1.3631 -1.3631 -1.3400 -1.3400 -1.3363 -1.3363 -1.3132 -1.3132 5.9867 5.9867 6.0203 6.0203 6.0405 6.0405 6.0742 6.0742 14.3618 14.3618 14.6828 14.6828 k = 0.0000 0.0000 0.1785 ( 1348 PWs) bands (ev): -24.0295 -24.0295 -24.0112 -24.0112 -10.5407 -10.5407 -10.3115 -10.3115 -3.8528 -3.8528 -3.4803 -3.4803 -1.3593 -1.3593 -1.3438 -1.3438 -1.3325 -1.3325 -1.3170 -1.3170 5.9956 5.9956 6.0292 6.0292 6.0316 6.0316 6.0653 6.0653 14.4190 14.4190 14.6332 14.6332 k = 0.0000 0.0000 0.1866 ( 1348 PWs) bands (ev): -24.0250 -24.0250 -24.0158 -24.0158 -10.4854 -10.4854 -10.3706 -10.3706 -3.7585 -3.7585 -3.5719 -3.5719 -1.3555 -1.3555 -1.3477 -1.3477 -1.3287 -1.3287 -1.3209 -1.3209 6.0045 6.0045 6.0226 6.0226 6.0382 6.0382 6.0563 6.0563 14.4749 14.4749 14.5821 14.5821 k = 0.0000 0.0000 0.1948 ( 1348 PWs) bands (ev): -24.0204 -24.0204 -24.0204 -24.0204 -10.4287 -10.4287 -10.4287 -10.4287 -3.6647 -3.6647 -3.6647 -3.6647 -1.3516 -1.3516 -1.3516 -1.3516 -1.3248 -1.3248 -1.3248 -1.3248 6.0136 6.0136 6.0136 6.0136 6.0473 6.0473 6.0473 6.0473 14.5293 14.5293 14.5293 14.5293 k = 0.0000 0.0000 0.1948 ( 1348 PWs) bands (ev): -24.0204 -24.0204 -24.0204 -24.0204 -10.4287 -10.4287 -10.4287 -10.4287 -3.6647 -3.6647 -3.6647 -3.6647 -1.3516 -1.3516 -1.3516 -1.3516 -1.3248 -1.3248 -1.3248 -1.3248 6.0136 6.0136 6.0136 6.0136 6.0473 6.0473 6.0473 6.0473 14.5293 14.5293 14.5293 14.5293 k = 0.0070 0.0041 0.1948 ( 1348 PWs) bands (ev): -24.0201 -24.0201 -24.0201 -24.0201 -10.4281 -10.4281 -10.4281 -10.4281 -3.6648 -3.6648 -3.6648 -3.6648 -1.3526 -1.3526 -1.3526 -1.3526 -1.3258 -1.3258 -1.3258 -1.3258 6.0126 6.0126 6.0126 6.0126 6.0464 6.0464 6.0464 6.0464 14.5307 14.5307 14.5307 14.5307 k = 0.0141 0.0081 0.1948 ( 1350 PWs) bands (ev): -24.0190 -24.0190 -24.0190 -24.0190 -10.4264 -10.4264 -10.4264 -10.4264 -3.6649 -3.6649 -3.6649 -3.6649 -1.3557 -1.3557 -1.3557 -1.3557 -1.3285 -1.3285 -1.3285 -1.3285 6.0098 6.0098 6.0098 6.0098 6.0438 6.0438 6.0438 6.0438 14.5349 14.5349 14.5349 14.5349 k = 0.0211 0.0122 0.1948 ( 1354 PWs) bands (ev): -24.0173 -24.0173 -24.0173 -24.0173 -10.4236 -10.4236 -10.4236 -10.4236 -3.6652 -3.6652 -3.6652 -3.6652 -1.3615 -1.3615 -1.3615 -1.3615 -1.3327 -1.3327 -1.3327 -1.3327 6.0045 6.0045 6.0045 6.0045 6.0399 6.0399 6.0399 6.0399 14.5419 14.5419 14.5419 14.5419 k = 0.0282 0.0163 0.1948 ( 1350 PWs) bands (ev): -24.0148 -24.0148 -24.0148 -24.0148 -10.4197 -10.4197 -10.4197 -10.4197 -3.6655 -3.6655 -3.6655 -3.6655 -1.3703 -1.3703 -1.3703 -1.3703 -1.3375 -1.3375 -1.3375 -1.3375 5.9965 5.9965 5.9965 5.9965 6.0353 6.0353 6.0353 6.0353 14.5516 14.5516 14.5516 14.5516 k = 0.0352 0.0203 0.1948 ( 1350 PWs) bands (ev): -24.0117 -24.0117 -24.0117 -24.0117 -10.4146 -10.4146 -10.4146 -10.4146 -3.6660 -3.6660 -3.6660 -3.6660 -1.3825 -1.3825 -1.3825 -1.3825 -1.3428 -1.3428 -1.3428 -1.3428 5.9852 5.9852 5.9852 5.9852 6.0304 6.0304 6.0304 6.0304 14.5639 14.5639 14.5639 14.5639 k = 0.0423 0.0244 0.1948 ( 1358 PWs) bands (ev): -24.0079 -24.0079 -24.0079 -24.0079 -10.4085 -10.4085 -10.4085 -10.4085 -3.6666 -3.6666 -3.6666 -3.6666 -1.3983 -1.3983 -1.3983 -1.3983 -1.3484 -1.3484 -1.3484 -1.3484 5.9704 5.9704 5.9704 5.9704 6.0254 6.0254 6.0254 6.0254 14.5786 14.5786 14.5786 14.5786 k = 0.0493 0.0285 0.1948 ( 1362 PWs) bands (ev): -24.0034 -24.0034 -24.0034 -24.0034 -10.4013 -10.4013 -10.4013 -10.4013 -3.6673 -3.6673 -3.6673 -3.6673 -1.4173 -1.4173 -1.4173 -1.4173 -1.3544 -1.3544 -1.3544 -1.3544 5.9523 5.9523 5.9523 5.9523 6.0202 6.0202 6.0202 6.0202 14.5957 14.5957 14.5957 14.5957 k = 0.0563 0.0325 0.1948 ( 1366 PWs) bands (ev): -23.9982 -23.9982 -23.9982 -23.9982 -10.3929 -10.3929 -10.3929 -10.3929 -3.6682 -3.6682 -3.6682 -3.6682 -1.4394 -1.4394 -1.4394 -1.4394 -1.3608 -1.3608 -1.3608 -1.3608 5.9310 5.9310 5.9310 5.9310 6.0149 6.0149 6.0149 6.0149 14.6149 14.6149 14.6149 14.6149 k = 0.0634 0.0366 0.1948 ( 1374 PWs) bands (ev): -23.9924 -23.9924 -23.9924 -23.9924 -10.3835 -10.3835 -10.3835 -10.3835 -3.6694 -3.6694 -3.6694 -3.6694 -1.4644 -1.4644 -1.4644 -1.4644 -1.3677 -1.3677 -1.3677 -1.3677 5.9066 5.9066 5.9066 5.9066 6.0091 6.0091 6.0091 6.0091 14.6361 14.6361 14.6361 14.6361 k = 0.0704 0.0407 0.1948 ( 1370 PWs) bands (ev): -23.9859 -23.9859 -23.9859 -23.9859 -10.3730 -10.3730 -10.3730 -10.3730 -3.6707 -3.6707 -3.6707 -3.6707 -1.4921 -1.4921 -1.4921 -1.4921 -1.3753 -1.3753 -1.3753 -1.3753 5.8794 5.8794 5.8794 5.8794 6.0031 6.0031 6.0031 6.0031 14.6590 14.6590 14.6590 14.6590 k = 0.0775 0.0447 0.1948 ( 1366 PWs) bands (ev): -23.9788 -23.9788 -23.9788 -23.9788 -10.3615 -10.3615 -10.3615 -10.3615 -3.6723 -3.6723 -3.6723 -3.6723 -1.5224 -1.5224 -1.5224 -1.5224 -1.3834 -1.3834 -1.3834 -1.3834 5.8494 5.8494 5.8494 5.8494 5.9967 5.9967 5.9967 5.9967 14.6835 14.6835 14.6835 14.6835 k = 0.0845 0.0488 0.1948 ( 1366 PWs) bands (ev): -23.9711 -23.9711 -23.9711 -23.9711 -10.3489 -10.3489 -10.3489 -10.3489 -3.6742 -3.6742 -3.6742 -3.6742 -1.5551 -1.5551 -1.5551 -1.5551 -1.3922 -1.3922 -1.3922 -1.3922 5.8167 5.8167 5.8167 5.8167 5.9898 5.9898 5.9898 5.9898 14.7094 14.7094 14.7094 14.7094 k = 0.0915 0.0529 0.1948 ( 1370 PWs) bands (ev): -23.9627 -23.9627 -23.9627 -23.9627 -10.3353 -10.3353 -10.3353 -10.3353 -3.6765 -3.6765 -3.6765 -3.6765 -1.5901 -1.5901 -1.5901 -1.5901 -1.4015 -1.4015 -1.4015 -1.4015 5.7813 5.7813 5.7813 5.7813 5.9825 5.9825 5.9825 5.9825 14.7363 14.7363 14.7363 14.7363 k = 0.0986 0.0569 0.1948 ( 1370 PWs) bands (ev): -23.9537 -23.9537 -23.9537 -23.9537 -10.3207 -10.3207 -10.3207 -10.3207 -3.6791 -3.6791 -3.6791 -3.6791 -1.6271 -1.6271 -1.6271 -1.6271 -1.4115 -1.4115 -1.4115 -1.4115 5.7435 5.7435 5.7435 5.7435 5.9748 5.9748 5.9748 5.9748 14.7642 14.7642 14.7642 14.7642 k = 0.1056 0.0610 0.1948 ( 1370 PWs) bands (ev): -23.9442 -23.9442 -23.9442 -23.9442 -10.3050 -10.3050 -10.3050 -10.3050 -3.6822 -3.6822 -3.6822 -3.6822 -1.6660 -1.6660 -1.6660 -1.6660 -1.4221 -1.4221 -1.4221 -1.4221 5.7034 5.7034 5.7034 5.7034 5.9666 5.9666 5.9666 5.9666 14.7927 14.7927 14.7927 14.7927 k = 0.1127 0.0651 0.1948 ( 1372 PWs) bands (ev): -23.9340 -23.9340 -23.9340 -23.9340 -10.2884 -10.2884 -10.2884 -10.2884 -3.6859 -3.6859 -3.6859 -3.6859 -1.7066 -1.7066 -1.7066 -1.7066 -1.4332 -1.4332 -1.4332 -1.4332 5.6610 5.6610 5.6610 5.6610 5.9579 5.9579 5.9579 5.9579 14.8218 14.8218 14.8218 14.8218 k = 0.1197 0.0691 0.1948 ( 1372 PWs) bands (ev): -23.9233 -23.9233 -23.9233 -23.9233 -10.2709 -10.2709 -10.2709 -10.2709 -3.6901 -3.6901 -3.6901 -3.6901 -1.7487 -1.7487 -1.7487 -1.7487 -1.4449 -1.4449 -1.4449 -1.4449 5.6164 5.6164 5.6164 5.6164 5.9488 5.9488 5.9488 5.9488 14.8513 14.8513 14.8513 14.8513 k = 0.1268 0.0732 0.1948 ( 1372 PWs) bands (ev): -23.9121 -23.9121 -23.9121 -23.9121 -10.2524 -10.2524 -10.2524 -10.2524 -3.6949 -3.6949 -3.6949 -3.6949 -1.7922 -1.7922 -1.7922 -1.7922 -1.4571 -1.4571 -1.4571 -1.4571 5.5698 5.5698 5.5698 5.5698 5.9394 5.9394 5.9394 5.9394 14.8809 14.8809 14.8809 14.8809 k = 0.1338 0.0773 0.1948 ( 1372 PWs) bands (ev): -23.9003 -23.9003 -23.9003 -23.9003 -10.2330 -10.2330 -10.2330 -10.2330 -3.7005 -3.7005 -3.7005 -3.7005 -1.8368 -1.8368 -1.8368 -1.8368 -1.4698 -1.4698 -1.4698 -1.4698 5.5212 5.5212 5.5212 5.5212 5.9296 5.9296 5.9296 5.9296 14.9106 14.9106 14.9106 14.9106 k = 0.1408 0.0813 0.1948 ( 1376 PWs) bands (ev): -23.8880 -23.8880 -23.8880 -23.8880 -10.2128 -10.2128 -10.2128 -10.2128 -3.7069 -3.7069 -3.7069 -3.7069 -1.8822 -1.8822 -1.8822 -1.8822 -1.4830 -1.4830 -1.4830 -1.4830 5.4707 5.4707 5.4707 5.4707 5.9193 5.9193 5.9193 5.9193 14.9403 14.9403 14.9403 14.9403 k = 0.1479 0.0854 0.1948 ( 1372 PWs) bands (ev): -23.8752 -23.8752 -23.8752 -23.8752 -10.1916 -10.1916 -10.1916 -10.1916 -3.7142 -3.7142 -3.7142 -3.7142 -1.9284 -1.9284 -1.9284 -1.9284 -1.4966 -1.4966 -1.4966 -1.4966 5.4186 5.4186 5.4186 5.4186 5.9087 5.9087 5.9087 5.9087 14.9698 14.9698 14.9698 14.9698 k = 0.1549 0.0894 0.1948 ( 1372 PWs) bands (ev): -23.8620 -23.8620 -23.8620 -23.8620 -10.1697 -10.1697 -10.1697 -10.1697 -3.7225 -3.7225 -3.7225 -3.7225 -1.9750 -1.9750 -1.9750 -1.9750 -1.5107 -1.5107 -1.5107 -1.5107 5.3648 5.3648 5.3648 5.3648 5.8979 5.8979 5.8979 5.8979 14.9991 14.9991 14.9991 14.9991 k = 0.1620 0.0935 0.1948 ( 1372 PWs) bands (ev): -23.8483 -23.8483 -23.8483 -23.8483 -10.1469 -10.1469 -10.1469 -10.1469 -3.7319 -3.7319 -3.7319 -3.7319 -2.0219 -2.0219 -2.0219 -2.0219 -1.5251 -1.5251 -1.5251 -1.5251 5.3095 5.3095 5.3095 5.3095 5.8867 5.8867 5.8867 5.8867 15.0281 15.0281 15.0281 15.0281 k = 0.1690 0.0976 0.1948 ( 1376 PWs) bands (ev): -23.8342 -23.8342 -23.8342 -23.8342 -10.1234 -10.1234 -10.1234 -10.1234 -3.7425 -3.7425 -3.7425 -3.7425 -2.0688 -2.0688 -2.0688 -2.0688 -1.5399 -1.5399 -1.5399 -1.5399 5.2527 5.2527 5.2527 5.2527 5.8751 5.8751 5.8751 5.8751 15.0568 15.0568 15.0568 15.0568 k = 0.1761 0.1016 0.1948 ( 1376 PWs) bands (ev): -23.8198 -23.8198 -23.8198 -23.8198 -10.0992 -10.0992 -10.0992 -10.0992 -3.7543 -3.7543 -3.7543 -3.7543 -2.1154 -2.1154 -2.1154 -2.1154 -1.5550 -1.5550 -1.5550 -1.5550 5.1948 5.1948 5.1948 5.1948 5.8634 5.8634 5.8634 5.8634 15.0852 15.0852 15.0852 15.0852 k = 0.1831 0.1057 0.1948 ( 1374 PWs) bands (ev): -23.8049 -23.8049 -23.8049 -23.8049 -10.0743 -10.0743 -10.0743 -10.0743 -3.7676 -3.7676 -3.7676 -3.7676 -2.1616 -2.1616 -2.1616 -2.1616 -1.5704 -1.5704 -1.5704 -1.5704 5.1356 5.1356 5.1356 5.1356 5.8514 5.8514 5.8514 5.8514 15.1131 15.1131 15.1131 15.1131 k = 0.1901 0.1098 0.1948 ( 1374 PWs) bands (ev): -23.7897 -23.7897 -23.7897 -23.7897 -10.0487 -10.0487 -10.0487 -10.0487 -3.7824 -3.7824 -3.7824 -3.7824 -2.2071 -2.2071 -2.2071 -2.2071 -1.5861 -1.5861 -1.5861 -1.5861 5.0755 5.0755 5.0755 5.0755 5.8393 5.8393 5.8393 5.8393 15.1408 15.1408 15.1408 15.1408 k = 0.1972 0.1138 0.1948 ( 1380 PWs) bands (ev): -23.7742 -23.7742 -23.7742 -23.7742 -10.0224 -10.0224 -10.0224 -10.0224 -3.7989 -3.7989 -3.7989 -3.7989 -2.2516 -2.2516 -2.2516 -2.2516 -1.6020 -1.6020 -1.6020 -1.6020 5.0144 5.0144 5.0144 5.0144 5.8269 5.8269 5.8269 5.8269 15.1680 15.1680 15.1680 15.1680 k = 0.2042 0.1179 0.1948 ( 1376 PWs) bands (ev): -23.7584 -23.7584 -23.7584 -23.7584 -9.9956 -9.9956 -9.9956 -9.9956 -3.8170 -3.8170 -3.8170 -3.8170 -2.2950 -2.2950 -2.2950 -2.2950 -1.6181 -1.6181 -1.6181 -1.6181 4.9526 4.9526 4.9526 4.9526 5.8144 5.8144 5.8144 5.8144 15.1948 15.1948 15.1948 15.1948 k = 0.2113 0.1220 0.1948 ( 1372 PWs) bands (ev): -23.7423 -23.7423 -23.7423 -23.7423 -9.9683 -9.9683 -9.9683 -9.9683 -3.8369 -3.8369 -3.8369 -3.8369 -2.3370 -2.3370 -2.3370 -2.3370 -1.6344 -1.6344 -1.6344 -1.6344 4.8902 4.8902 4.8902 4.8902 5.8017 5.8017 5.8017 5.8017 15.2213 15.2213 15.2213 15.2213 k = 0.2183 0.1260 0.1948 ( 1372 PWs) bands (ev): -23.7260 -23.7260 -23.7260 -23.7260 -9.9405 -9.9405 -9.9405 -9.9405 -3.8587 -3.8587 -3.8587 -3.8587 -2.3776 -2.3776 -2.3776 -2.3776 -1.6508 -1.6508 -1.6508 -1.6508 4.8271 4.8271 4.8271 4.8271 5.7890 5.7890 5.7890 5.7890 15.2474 15.2474 15.2474 15.2474 k = 0.2254 0.1301 0.1948 ( 1372 PWs) bands (ev): -23.7095 -23.7095 -23.7095 -23.7095 -9.9122 -9.9122 -9.9122 -9.9122 -3.8824 -3.8824 -3.8824 -3.8824 -2.4164 -2.4164 -2.4164 -2.4164 -1.6673 -1.6673 -1.6673 -1.6673 4.7636 4.7636 4.7636 4.7636 5.7761 5.7761 5.7761 5.7761 15.2732 15.2732 15.2732 15.2732 k = 0.2324 0.1342 0.1948 ( 1374 PWs) bands (ev): -23.6928 -23.6928 -23.6928 -23.6928 -9.8835 -9.8835 -9.8835 -9.8835 -3.9080 -3.9080 -3.9080 -3.9080 -2.4534 -2.4534 -2.4534 -2.4534 -1.6839 -1.6839 -1.6839 -1.6839 4.6999 4.6999 4.6999 4.6999 5.7632 5.7632 5.7632 5.7632 15.2986 15.2986 15.2986 15.2986 k = 0.2394 0.1382 0.1948 ( 1382 PWs) bands (ev): -23.6760 -23.6760 -23.6760 -23.6760 -9.8544 -9.8544 -9.8544 -9.8544 -3.9355 -3.9355 -3.9355 -3.9355 -2.4885 -2.4885 -2.4885 -2.4885 -1.7005 -1.7005 -1.7005 -1.7005 4.6359 4.6359 4.6359 4.6359 5.7502 5.7502 5.7502 5.7502 15.3236 15.3236 15.3236 15.3236 k = 0.2465 0.1423 0.1948 ( 1382 PWs) bands (ev): -23.6591 -23.6591 -23.6591 -23.6591 -9.8251 -9.8251 -9.8251 -9.8251 -3.9649 -3.9649 -3.9649 -3.9649 -2.5215 -2.5215 -2.5215 -2.5215 -1.7171 -1.7171 -1.7171 -1.7171 4.5719 4.5719 4.5719 4.5719 5.7373 5.7373 5.7373 5.7373 15.3483 15.3483 15.3483 15.3483 k = 0.2535 0.1464 0.1948 ( 1382 PWs) bands (ev): -23.6421 -23.6421 -23.6421 -23.6421 -9.7955 -9.7955 -9.7955 -9.7955 -3.9961 -3.9961 -3.9961 -3.9961 -2.5526 -2.5526 -2.5526 -2.5526 -1.7336 -1.7336 -1.7336 -1.7336 4.5080 4.5080 4.5080 4.5080 5.7243 5.7243 5.7243 5.7243 15.3728 15.3728 15.3728 15.3728 k = 0.2606 0.1504 0.1948 ( 1378 PWs) bands (ev): -23.6250 -23.6250 -23.6250 -23.6250 -9.7656 -9.7656 -9.7656 -9.7656 -4.0290 -4.0290 -4.0290 -4.0290 -2.5814 -2.5814 -2.5814 -2.5814 -1.7501 -1.7501 -1.7501 -1.7501 4.4443 4.4443 4.4443 4.4443 5.7114 5.7114 5.7114 5.7114 15.3971 15.3971 15.3971 15.3971 k = 0.2676 0.1545 0.1948 ( 1376 PWs) bands (ev): -23.6080 -23.6080 -23.6080 -23.6080 -9.7357 -9.7357 -9.7357 -9.7357 -4.0636 -4.0636 -4.0636 -4.0636 -2.6083 -2.6083 -2.6083 -2.6083 -1.7665 -1.7665 -1.7665 -1.7665 4.3808 4.3808 4.3808 4.3808 5.6985 5.6985 5.6985 5.6985 15.4209 15.4209 15.4209 15.4209 k = 0.2746 0.1586 0.1948 ( 1380 PWs) bands (ev): -23.5909 -23.5909 -23.5909 -23.5909 -9.7056 -9.7056 -9.7056 -9.7056 -4.0996 -4.0996 -4.0996 -4.0996 -2.6331 -2.6331 -2.6331 -2.6331 -1.7828 -1.7828 -1.7828 -1.7828 4.3178 4.3178 4.3178 4.3178 5.6858 5.6858 5.6858 5.6858 15.4444 15.4444 15.4444 15.4444 k = 0.2817 0.1626 0.1948 ( 1380 PWs) bands (ev): -23.5739 -23.5739 -23.5739 -23.5739 -9.6756 -9.6756 -9.6756 -9.6756 -4.1369 -4.1369 -4.1369 -4.1369 -2.6560 -2.6560 -2.6560 -2.6560 -1.7989 -1.7989 -1.7989 -1.7989 4.2554 4.2554 4.2554 4.2554 5.6731 5.6731 5.6731 5.6731 15.4676 15.4676 15.4676 15.4676 k = 0.2887 0.1667 0.1948 ( 1376 PWs) bands (ev): -23.5570 -23.5570 -23.5570 -23.5570 -9.6455 -9.6455 -9.6455 -9.6455 -4.1753 -4.1753 -4.1753 -4.1753 -2.6770 -2.6770 -2.6770 -2.6770 -1.8149 -1.8149 -1.8149 -1.8149 4.1936 4.1936 4.1936 4.1936 5.6607 5.6607 5.6607 5.6607 15.4904 15.4904 15.4904 15.4904 k = 0.2958 0.1708 0.1948 ( 1380 PWs) bands (ev): -23.5403 -23.5403 -23.5403 -23.5403 -9.6155 -9.6155 -9.6155 -9.6155 -4.2147 -4.2147 -4.2147 -4.2147 -2.6962 -2.6962 -2.6962 -2.6962 -1.8306 -1.8306 -1.8306 -1.8306 4.1325 4.1325 4.1325 4.1325 5.6482 5.6482 5.6482 5.6482 15.5129 15.5129 15.5129 15.5129 k = 0.3028 0.1748 0.1948 ( 1380 PWs) bands (ev): -23.5237 -23.5237 -23.5237 -23.5237 -9.5857 -9.5857 -9.5857 -9.5857 -4.2548 -4.2548 -4.2548 -4.2548 -2.7137 -2.7137 -2.7137 -2.7137 -1.8461 -1.8461 -1.8461 -1.8461 4.0724 4.0724 4.0724 4.0724 5.6361 5.6361 5.6361 5.6361 15.5351 15.5351 15.5351 15.5351 k = 0.3099 0.1789 0.1948 ( 1384 PWs) bands (ev): -23.5073 -23.5073 -23.5073 -23.5073 -9.5561 -9.5561 -9.5561 -9.5561 -4.2954 -4.2954 -4.2954 -4.2954 -2.7296 -2.7296 -2.7296 -2.7296 -1.8613 -1.8613 -1.8613 -1.8613 4.0132 4.0132 4.0132 4.0132 5.6241 5.6241 5.6241 5.6241 15.5568 15.5568 15.5568 15.5568 k = 0.3169 0.1830 0.1948 ( 1382 PWs) bands (ev): -23.4911 -23.4911 -23.4911 -23.4911 -9.5268 -9.5268 -9.5268 -9.5268 -4.3363 -4.3363 -4.3363 -4.3363 -2.7441 -2.7441 -2.7441 -2.7441 -1.8762 -1.8762 -1.8762 -1.8762 3.9551 3.9551 3.9551 3.9551 5.6124 5.6124 5.6124 5.6124 15.5782 15.5782 15.5782 15.5782 k = 0.3239 0.1870 0.1948 ( 1378 PWs) bands (ev): -23.4751 -23.4751 -23.4751 -23.4751 -9.4978 -9.4978 -9.4978 -9.4978 -4.3774 -4.3774 -4.3774 -4.3774 -2.7573 -2.7573 -2.7573 -2.7573 -1.8908 -1.8908 -1.8908 -1.8908 3.8982 3.8982 3.8982 3.8982 5.6010 5.6010 5.6010 5.6010 15.5992 15.5992 15.5992 15.5992 k = 0.3310 0.1911 0.1948 ( 1378 PWs) bands (ev): -23.4595 -23.4595 -23.4595 -23.4595 -9.4693 -9.4693 -9.4693 -9.4693 -4.4183 -4.4183 -4.4183 -4.4183 -2.7692 -2.7692 -2.7692 -2.7692 -1.9050 -1.9050 -1.9050 -1.9050 3.8427 3.8427 3.8427 3.8427 5.5898 5.5898 5.5898 5.5898 15.6198 15.6198 15.6198 15.6198 k = 0.3380 0.1952 0.1948 ( 1378 PWs) bands (ev): -23.4442 -23.4442 -23.4442 -23.4442 -9.4412 -9.4412 -9.4412 -9.4412 -4.4590 -4.4590 -4.4590 -4.4590 -2.7800 -2.7800 -2.7800 -2.7800 -1.9188 -1.9188 -1.9188 -1.9188 3.7885 3.7885 3.7885 3.7885 5.5789 5.5789 5.5789 5.5789 15.6399 15.6399 15.6399 15.6399 k = 0.3451 0.1992 0.1948 ( 1374 PWs) bands (ev): -23.4293 -23.4293 -23.4293 -23.4293 -9.4137 -9.4137 -9.4137 -9.4137 -4.4992 -4.4992 -4.4992 -4.4992 -2.7898 -2.7898 -2.7898 -2.7898 -1.9322 -1.9322 -1.9322 -1.9322 3.7359 3.7359 3.7359 3.7359 5.5683 5.5683 5.5683 5.5683 15.6595 15.6595 15.6595 15.6595 k = 0.3521 0.2033 0.1948 ( 1374 PWs) bands (ev): -23.4148 -23.4148 -23.4148 -23.4148 -9.3867 -9.3867 -9.3867 -9.3867 -4.5388 -4.5388 -4.5388 -4.5388 -2.7987 -2.7987 -2.7987 -2.7987 -1.9452 -1.9452 -1.9452 -1.9452 3.6849 3.6849 3.6849 3.6849 5.5580 5.5580 5.5580 5.5580 15.6785 15.6785 15.6785 15.6785 k = 0.3592 0.2074 0.1948 ( 1378 PWs) bands (ev): -23.4006 -23.4006 -23.4006 -23.4006 -9.3605 -9.3605 -9.3605 -9.3605 -4.5776 -4.5776 -4.5776 -4.5776 -2.8067 -2.8067 -2.8067 -2.8067 -1.9578 -1.9578 -1.9578 -1.9578 3.6355 3.6355 3.6355 3.6355 5.5481 5.5481 5.5481 5.5481 15.6970 15.6970 15.6970 15.6970 k = 0.3662 0.2114 0.1948 ( 1374 PWs) bands (ev): -23.3870 -23.3870 -23.3870 -23.3870 -9.3350 -9.3350 -9.3350 -9.3350 -4.6154 -4.6154 -4.6154 -4.6154 -2.8140 -2.8140 -2.8140 -2.8140 -1.9699 -1.9699 -1.9699 -1.9699 3.5880 3.5880 3.5880 3.5880 5.5386 5.5386 5.5386 5.5386 15.7150 15.7150 15.7150 15.7150 k = 0.3732 0.2155 0.1948 ( 1374 PWs) bands (ev): -23.3738 -23.3738 -23.3738 -23.3738 -9.3103 -9.3103 -9.3103 -9.3103 -4.6521 -4.6521 -4.6521 -4.6521 -2.8205 -2.8205 -2.8205 -2.8205 -1.9814 -1.9814 -1.9814 -1.9814 3.5424 3.5424 3.5424 3.5424 5.5294 5.5294 5.5294 5.5294 15.7324 15.7324 15.7324 15.7324 k = 0.3803 0.2196 0.1948 ( 1374 PWs) bands (ev): -23.3612 -23.3612 -23.3612 -23.3612 -9.2865 -9.2865 -9.2865 -9.2865 -4.6876 -4.6876 -4.6876 -4.6876 -2.8265 -2.8265 -2.8265 -2.8265 -1.9925 -1.9925 -1.9925 -1.9925 3.4987 3.4987 3.4987 3.4987 5.5207 5.5207 5.5207 5.5207 15.7491 15.7491 15.7491 15.7491 k = 0.3873 0.2236 0.1948 ( 1374 PWs) bands (ev): -23.3491 -23.3491 -23.3491 -23.3491 -9.2636 -9.2636 -9.2636 -9.2636 -4.7217 -4.7217 -4.7217 -4.7217 -2.8319 -2.8319 -2.8319 -2.8319 -2.0031 -2.0031 -2.0031 -2.0031 3.4570 3.4570 3.4570 3.4570 5.5124 5.5124 5.5124 5.5124 15.7651 15.7651 15.7651 15.7651 k = 0.3944 0.2277 0.1948 ( 1370 PWs) bands (ev): -23.3376 -23.3376 -23.3376 -23.3376 -9.2418 -9.2418 -9.2418 -9.2418 -4.7542 -4.7542 -4.7542 -4.7542 -2.8367 -2.8367 -2.8367 -2.8367 -2.0131 -2.0131 -2.0131 -2.0131 3.4175 3.4175 3.4175 3.4175 5.5045 5.5045 5.5045 5.5045 15.7803 15.7803 15.7803 15.7803 k = 0.4014 0.2318 0.1948 ( 1370 PWs) bands (ev): -23.3267 -23.3267 -23.3267 -23.3267 -9.2210 -9.2210 -9.2210 -9.2210 -4.7852 -4.7852 -4.7852 -4.7852 -2.8411 -2.8411 -2.8411 -2.8411 -2.0225 -2.0225 -2.0225 -2.0225 3.3802 3.3802 3.3802 3.3802 5.4971 5.4971 5.4971 5.4971 15.7949 15.7949 15.7949 15.7949 k = 0.4085 0.2358 0.1948 ( 1370 PWs) bands (ev): -23.3164 -23.3164 -23.3164 -23.3164 -9.2014 -9.2014 -9.2014 -9.2014 -4.8145 -4.8145 -4.8145 -4.8145 -2.8451 -2.8451 -2.8451 -2.8451 -2.0313 -2.0313 -2.0313 -2.0313 3.3451 3.3451 3.3451 3.3451 5.4900 5.4900 5.4900 5.4900 15.8086 15.8086 15.8086 15.8086 k = 0.4155 0.2399 0.1948 ( 1378 PWs) bands (ev): -23.3068 -23.3068 -23.3068 -23.3068 -9.1830 -9.1830 -9.1830 -9.1830 -4.8419 -4.8419 -4.8419 -4.8419 -2.8487 -2.8487 -2.8487 -2.8487 -2.0396 -2.0396 -2.0396 -2.0396 3.3124 3.3124 3.3124 3.3124 5.4835 5.4835 5.4835 5.4835 15.8215 15.8215 15.8215 15.8215 k = 0.4225 0.2440 0.1948 ( 1368 PWs) bands (ev): -23.2979 -23.2979 -23.2979 -23.2979 -9.1658 -9.1658 -9.1658 -9.1658 -4.8675 -4.8675 -4.8675 -4.8675 -2.8518 -2.8518 -2.8518 -2.8518 -2.0472 -2.0472 -2.0472 -2.0472 3.2820 3.2820 3.2820 3.2820 5.4774 5.4774 5.4774 5.4774 15.8336 15.8336 15.8336 15.8336 k = 0.4296 0.2480 0.1948 ( 1372 PWs) bands (ev): -23.2897 -23.2897 -23.2897 -23.2897 -9.1499 -9.1499 -9.1499 -9.1499 -4.8911 -4.8911 -4.8911 -4.8911 -2.8547 -2.8547 -2.8547 -2.8547 -2.0543 -2.0543 -2.0543 -2.0543 3.2541 3.2541 3.2541 3.2541 5.4718 5.4718 5.4718 5.4718 15.8447 15.8447 15.8447 15.8447 k = 0.4366 0.2521 0.1948 ( 1374 PWs) bands (ev): -23.2822 -23.2822 -23.2822 -23.2822 -9.1354 -9.1354 -9.1354 -9.1354 -4.9127 -4.9127 -4.9127 -4.9127 -2.8572 -2.8572 -2.8572 -2.8572 -2.0607 -2.0607 -2.0607 -2.0607 3.2287 3.2287 3.2287 3.2287 5.4668 5.4668 5.4668 5.4668 15.8548 15.8548 15.8548 15.8548 k = 0.4437 0.2561 0.1948 ( 1380 PWs) bands (ev): -23.2754 -23.2754 -23.2754 -23.2754 -9.1222 -9.1222 -9.1222 -9.1222 -4.9322 -4.9322 -4.9322 -4.9322 -2.8595 -2.8595 -2.8595 -2.8595 -2.0664 -2.0664 -2.0664 -2.0664 3.2058 3.2058 3.2058 3.2058 5.4622 5.4622 5.4622 5.4622 15.8640 15.8640 15.8640 15.8640 k = 0.4507 0.2602 0.1948 ( 1380 PWs) bands (ev): -23.2694 -23.2694 -23.2694 -23.2694 -9.1105 -9.1105 -9.1105 -9.1105 -4.9495 -4.9495 -4.9495 -4.9495 -2.8614 -2.8614 -2.8614 -2.8614 -2.0715 -2.0715 -2.0715 -2.0715 3.1856 3.1856 3.1856 3.1856 5.4582 5.4582 5.4582 5.4582 15.8722 15.8722 15.8722 15.8722 k = 0.4577 0.2643 0.1948 ( 1382 PWs) bands (ev): -23.2642 -23.2642 -23.2642 -23.2642 -9.1003 -9.1003 -9.1003 -9.1003 -4.9646 -4.9646 -4.9646 -4.9646 -2.8631 -2.8631 -2.8631 -2.8631 -2.0759 -2.0759 -2.0759 -2.0759 3.1679 3.1679 3.1679 3.1679 5.4546 5.4546 5.4546 5.4546 15.8793 15.8793 15.8793 15.8793 k = 0.4648 0.2683 0.1948 ( 1382 PWs) bands (ev): -23.2597 -23.2597 -23.2597 -23.2597 -9.0916 -9.0916 -9.0916 -9.0916 -4.9774 -4.9774 -4.9774 -4.9774 -2.8645 -2.8645 -2.8645 -2.8645 -2.0797 -2.0797 -2.0797 -2.0797 3.1529 3.1529 3.1529 3.1529 5.4517 5.4517 5.4517 5.4517 15.8854 15.8854 15.8854 15.8854 k = 0.4718 0.2724 0.1948 ( 1382 PWs) bands (ev): -23.2560 -23.2560 -23.2560 -23.2560 -9.0845 -9.0845 -9.0845 -9.0845 -4.9880 -4.9880 -4.9880 -4.9880 -2.8656 -2.8656 -2.8656 -2.8656 -2.0828 -2.0828 -2.0828 -2.0828 3.1406 3.1406 3.1406 3.1406 5.4492 5.4492 5.4492 5.4492 15.8905 15.8905 15.8905 15.8905 k = 0.4789 0.2765 0.1948 ( 1378 PWs) bands (ev): -23.2532 -23.2532 -23.2532 -23.2532 -9.0789 -9.0789 -9.0789 -9.0789 -4.9962 -4.9962 -4.9962 -4.9962 -2.8664 -2.8664 -2.8664 -2.8664 -2.0852 -2.0852 -2.0852 -2.0852 3.1310 3.1310 3.1310 3.1310 5.4473 5.4473 5.4473 5.4473 15.8944 15.8944 15.8944 15.8944 k = 0.4859 0.2805 0.1948 ( 1378 PWs) bands (ev): -23.2511 -23.2511 -23.2511 -23.2511 -9.0749 -9.0749 -9.0749 -9.0749 -5.0021 -5.0021 -5.0021 -5.0021 -2.8671 -2.8671 -2.8671 -2.8671 -2.0869 -2.0869 -2.0869 -2.0869 3.1242 3.1242 3.1242 3.1242 5.4460 5.4460 5.4460 5.4460 15.8973 15.8973 15.8973 15.8973 k = 0.4930 0.2846 0.1948 ( 1378 PWs) bands (ev): -23.2499 -23.2499 -23.2499 -23.2499 -9.0725 -9.0725 -9.0725 -9.0725 -5.0057 -5.0057 -5.0057 -5.0057 -2.8674 -2.8674 -2.8674 -2.8674 -2.0879 -2.0879 -2.0879 -2.0879 3.1200 3.1200 3.1200 3.1200 5.4451 5.4451 5.4451 5.4451 15.8989 15.8989 15.8989 15.8989 k = 0.5000 0.2887 0.1948 ( 1376 PWs) bands (ev): -23.2495 -23.2495 -23.2495 -23.2495 -9.0716 -9.0716 -9.0716 -9.0716 -5.0069 -5.0069 -5.0069 -5.0069 -2.8675 -2.8675 -2.8675 -2.8675 -2.0883 -2.0883 -2.0883 -2.0883 3.1187 3.1187 3.1187 3.1187 5.4449 5.4449 5.4449 5.4449 15.8995 15.8995 15.8995 15.8995 k = 0.5000 0.2887 0.1948 ( 1376 PWs) bands (ev): -23.2495 -23.2495 -23.2495 -23.2495 -9.0716 -9.0716 -9.0716 -9.0716 -5.0069 -5.0069 -5.0069 -5.0069 -2.8675 -2.8675 -2.8675 -2.8675 -2.0883 -2.0883 -2.0883 -2.0883 3.1187 3.1187 3.1187 3.1187 5.4449 5.4449 5.4449 5.4449 15.8995 15.8995 15.8995 15.8995 k = 0.4959 0.2957 0.1948 ( 1376 PWs) bands (ev): -23.2494 -23.2494 -23.2494 -23.2494 -9.0714 -9.0714 -9.0714 -9.0714 -5.0062 -5.0062 -5.0062 -5.0062 -2.8676 -2.8676 -2.8676 -2.8676 -2.0899 -2.0899 -2.0899 -2.0899 3.1192 3.1192 3.1193 3.1193 5.4434 5.4434 5.4435 5.4435 15.8998 15.8998 15.8999 15.8999 k = 0.4919 0.3028 0.1948 ( 1376 PWs) bands (ev): -23.2490 -23.2490 -23.2490 -23.2490 -9.0707 -9.0707 -9.0707 -9.0707 -5.0041 -5.0041 -5.0041 -5.0041 -2.8677 -2.8677 -2.8676 -2.8676 -2.0949 -2.0949 -2.0949 -2.0949 3.1208 3.1208 3.1210 3.1210 5.4390 5.4390 5.4392 5.4392 15.9008 15.9008 15.9009 15.9009 k = 0.4878 0.3098 0.1948 ( 1382 PWs) bands (ev): -23.2484 -23.2484 -23.2484 -23.2484 -9.0695 -9.0695 -9.0695 -9.0695 -5.0007 -5.0007 -5.0006 -5.0006 -2.8678 -2.8678 -2.8678 -2.8678 -2.1032 -2.1032 -2.1032 -2.1032 3.1236 3.1236 3.1238 3.1238 5.4317 5.4317 5.4320 5.4320 15.9023 15.9023 15.9024 15.9024 k = 0.4837 0.3168 0.1948 ( 1386 PWs) bands (ev): -23.2475 -23.2475 -23.2475 -23.2475 -9.0679 -9.0679 -9.0679 -9.0679 -4.9959 -4.9959 -4.9958 -4.9958 -2.8681 -2.8681 -2.8680 -2.8680 -2.1148 -2.1148 -2.1148 -2.1148 3.1274 3.1274 3.1277 3.1277 5.4216 5.4216 5.4219 5.4219 15.9045 15.9045 15.9047 15.9047 k = 0.4797 0.3239 0.1948 ( 1390 PWs) bands (ev): -23.2464 -23.2464 -23.2464 -23.2464 -9.0658 -9.0658 -9.0658 -9.0658 -4.9897 -4.9897 -4.9896 -4.9896 -2.8684 -2.8684 -2.8683 -2.8683 -2.1295 -2.1295 -2.1295 -2.1295 3.1323 3.1323 3.1327 3.1327 5.4087 5.4087 5.4091 5.4091 15.9073 15.9073 15.9075 15.9075 k = 0.4756 0.3309 0.1948 ( 1386 PWs) bands (ev): -23.2450 -23.2450 -23.2450 -23.2450 -9.0633 -9.0633 -9.0633 -9.0633 -4.9822 -4.9822 -4.9821 -4.9821 -2.8688 -2.8688 -2.8687 -2.8687 -2.1473 -2.1473 -2.1473 -2.1473 3.1384 3.1384 3.1388 3.1388 5.3931 5.3931 5.3936 5.3936 15.9107 15.9107 15.9110 15.9110 k = 0.4715 0.3380 0.1948 ( 1386 PWs) bands (ev): -23.2434 -23.2434 -23.2434 -23.2434 -9.0603 -9.0603 -9.0603 -9.0603 -4.9733 -4.9733 -4.9731 -4.9731 -2.8694 -2.8694 -2.8693 -2.8693 -2.1681 -2.1681 -2.1680 -2.1680 3.1455 3.1455 3.1460 3.1460 5.3747 5.3747 5.3753 5.3753 15.9146 15.9146 15.9150 15.9150 k = 0.4675 0.3450 0.1948 ( 1378 PWs) bands (ev): -23.2416 -23.2416 -23.2416 -23.2416 -9.0569 -9.0569 -9.0569 -9.0569 -4.9630 -4.9630 -4.9629 -4.9629 -2.8702 -2.8702 -2.8701 -2.8701 -2.1917 -2.1917 -2.1917 -2.1917 3.1537 3.1537 3.1542 3.1542 5.3538 5.3538 5.3545 5.3545 15.9191 15.9191 15.9195 15.9195 k = 0.4634 0.3520 0.1948 ( 1374 PWs) bands (ev): -23.2395 -23.2395 -23.2395 -23.2395 -9.0531 -9.0531 -9.0531 -9.0531 -4.9514 -4.9514 -4.9512 -4.9512 -2.8713 -2.8713 -2.8712 -2.8712 -2.2180 -2.2180 -2.2179 -2.2179 3.1630 3.1630 3.1636 3.1636 5.3303 5.3303 5.3311 5.3311 15.9241 15.9241 15.9245 15.9245 k = 0.4593 0.3591 0.1948 ( 1370 PWs) bands (ev): -23.2373 -23.2373 -23.2373 -23.2373 -9.0489 -9.0489 -9.0488 -9.0488 -4.9384 -4.9384 -4.9383 -4.9383 -2.8728 -2.8728 -2.8726 -2.8726 -2.2468 -2.2468 -2.2467 -2.2467 3.1734 3.1734 3.1741 3.1741 5.3043 5.3043 5.3052 5.3052 15.9296 15.9296 15.9300 15.9300 k = 0.4553 0.3661 0.1948 ( 1370 PWs) bands (ev): -23.2348 -23.2348 -23.2348 -23.2348 -9.0443 -9.0443 -9.0442 -9.0442 -4.9242 -4.9242 -4.9240 -4.9240 -2.8748 -2.8748 -2.8746 -2.8746 -2.2778 -2.2778 -2.2777 -2.2777 3.1848 3.1848 3.1856 3.1856 5.2759 5.2759 5.2769 5.2769 15.9355 15.9355 15.9360 15.9360 k = 0.4512 0.3732 0.1948 ( 1370 PWs) bands (ev): -23.2321 -23.2321 -23.2321 -23.2321 -9.0393 -9.0393 -9.0393 -9.0393 -4.9086 -4.9086 -4.9083 -4.9083 -2.8774 -2.8774 -2.8771 -2.8771 -2.3109 -2.3109 -2.3108 -2.3108 3.1973 3.1973 3.1981 3.1981 5.2453 5.2453 5.2463 5.2463 15.9418 15.9418 15.9423 15.9423 k = 0.4472 0.3802 0.1948 ( 1368 PWs) bands (ev): -23.2293 -23.2293 -23.2293 -23.2293 -9.0340 -9.0340 -9.0340 -9.0340 -4.8916 -4.8916 -4.8914 -4.8914 -2.8808 -2.8808 -2.8805 -2.8805 -2.3456 -2.3456 -2.3455 -2.3455 3.2108 3.2108 3.2118 3.2118 5.2125 5.2125 5.2137 5.2137 15.9484 15.9484 15.9490 15.9490 k = 0.4431 0.3872 0.1948 ( 1368 PWs) bands (ev): -23.2263 -23.2263 -23.2263 -23.2263 -9.0284 -9.0284 -9.0284 -9.0284 -4.8734 -4.8734 -4.8732 -4.8732 -2.8852 -2.8852 -2.8849 -2.8849 -2.3816 -2.3816 -2.3815 -2.3815 3.2254 3.2254 3.2264 3.2264 5.1776 5.1776 5.1789 5.1789 15.9554 15.9554 15.9560 15.9560 k = 0.4390 0.3943 0.1948 ( 1364 PWs) bands (ev): -23.2232 -23.2232 -23.2232 -23.2232 -9.0225 -9.0225 -9.0225 -9.0225 -4.8539 -4.8539 -4.8537 -4.8537 -2.8910 -2.8910 -2.8907 -2.8907 -2.4185 -2.4185 -2.4184 -2.4184 3.2410 3.2410 3.2421 3.2421 5.1409 5.1409 5.1423 5.1423 15.9626 15.9626 15.9633 15.9633 k = 0.4350 0.4013 0.1948 ( 1364 PWs) bands (ev): -23.2199 -23.2199 -23.2199 -23.2199 -9.0164 -9.0164 -9.0163 -9.0163 -4.8332 -4.8332 -4.8329 -4.8329 -2.8986 -2.8986 -2.8982 -2.8982 -2.4557 -2.4557 -2.4555 -2.4555 3.2576 3.2576 3.2589 3.2589 5.1023 5.1023 5.1038 5.1038 15.9701 15.9701 15.9708 15.9708 k = 0.4309 0.4084 0.1948 ( 1364 PWs) bands (ev): -23.2165 -23.2165 -23.2165 -23.2165 -9.0100 -9.0100 -9.0099 -9.0099 -4.8111 -4.8111 -4.8108 -4.8108 -2.9085 -2.9085 -2.9080 -2.9080 -2.4925 -2.4925 -2.4923 -2.4923 3.2752 3.2752 3.2766 3.2766 5.0621 5.0621 5.0637 5.0637 15.9779 15.9779 15.9786 15.9786 k = 0.4268 0.4154 0.1948 ( 1364 PWs) bands (ev): -23.2130 -23.2130 -23.2130 -23.2130 -9.0034 -9.0034 -9.0033 -9.0033 -4.7879 -4.7879 -4.7875 -4.7875 -2.9212 -2.9212 -2.9207 -2.9207 -2.5281 -2.5281 -2.5279 -2.5279 3.2938 3.2938 3.2953 3.2953 5.0204 5.0204 5.0221 5.0221 15.9858 15.9858 15.9865 15.9865 k = 0.4228 0.4225 0.1948 ( 1360 PWs) bands (ev): -23.2094 -23.2094 -23.2094 -23.2094 -8.9966 -8.9966 -8.9966 -8.9966 -4.7634 -4.7634 -4.7630 -4.7630 -2.9376 -2.9376 -2.9370 -2.9370 -2.5617 -2.5617 -2.5614 -2.5614 3.3134 3.3134 3.3150 3.3150 4.9772 4.9772 4.9791 4.9791 15.9938 15.9938 15.9945 15.9945 k = 0.4187 0.4295 0.1948 ( 1364 PWs) bands (ev): -23.2057 -23.2057 -23.2057 -23.2057 -8.9897 -8.9897 -8.9896 -8.9896 -4.7377 -4.7377 -4.7373 -4.7373 -2.9583 -2.9583 -2.9577 -2.9577 -2.5924 -2.5924 -2.5921 -2.5921 3.3339 3.3339 3.3357 3.3357 4.9329 4.9329 4.9349 4.9349 16.0018 16.0018 16.0026 16.0026 k = 0.4146 0.4365 0.1948 ( 1364 PWs) bands (ev): -23.2020 -23.2020 -23.2020 -23.2020 -8.9827 -8.9827 -8.9826 -8.9826 -4.7108 -4.7108 -4.7104 -4.7104 -2.9839 -2.9839 -2.9832 -2.9832 -2.6195 -2.6195 -2.6192 -2.6192 3.3554 3.3554 3.3573 3.3573 4.8874 4.8874 4.8896 4.8896 16.0099 16.0099 16.0107 16.0107 k = 0.4106 0.4436 0.1948 ( 1366 PWs) bands (ev): -23.1982 -23.1982 -23.1982 -23.1982 -8.9756 -8.9756 -8.9755 -8.9755 -4.6828 -4.6828 -4.6823 -4.6823 -3.0147 -3.0147 -3.0139 -3.0139 -2.6426 -2.6426 -2.6422 -2.6422 3.3778 3.3778 3.3798 3.3798 4.8411 4.8411 4.8434 4.8434 16.0180 16.0180 16.0188 16.0188 k = 0.4065 0.4506 0.1948 ( 1366 PWs) bands (ev): -23.1945 -23.1945 -23.1945 -23.1945 -8.9684 -8.9684 -8.9684 -8.9684 -4.6536 -4.6536 -4.6530 -4.6530 -3.0504 -3.0504 -3.0496 -3.0496 -2.6615 -2.6615 -2.6611 -2.6611 3.4010 3.4010 3.4033 3.4033 4.7939 4.7939 4.7965 4.7965 16.0260 16.0260 16.0269 16.0269 k = 0.4024 0.4577 0.1948 ( 1364 PWs) bands (ev): -23.1907 -23.1907 -23.1907 -23.1907 -8.9613 -8.9613 -8.9612 -8.9612 -4.6232 -4.6232 -4.6227 -4.6227 -3.0907 -3.0907 -3.0899 -3.0899 -2.6767 -2.6767 -2.6763 -2.6763 3.4252 3.4252 3.4276 3.4276 4.7461 4.7461 4.7489 4.7489 16.0340 16.0340 16.0348 16.0348 k = 0.3984 0.4647 0.1948 ( 1360 PWs) bands (ev): -23.1870 -23.1870 -23.1870 -23.1870 -8.9542 -8.9542 -8.9541 -8.9541 -4.5918 -4.5918 -4.5912 -4.5912 -3.1348 -3.1348 -3.1340 -3.1340 -2.6886 -2.6886 -2.6883 -2.6883 3.4502 3.4502 3.4528 3.4528 4.6978 4.6978 4.7009 4.7009 16.0419 16.0419 16.0428 16.0428 k = 0.3943 0.4717 0.1948 ( 1358 PWs) bands (ev): -23.1833 -23.1833 -23.1833 -23.1833 -8.9472 -8.9472 -8.9471 -8.9471 -4.5593 -4.5593 -4.5586 -4.5586 -3.1821 -3.1821 -3.1812 -3.1812 -2.6979 -2.6979 -2.6976 -2.6976 3.4760 3.4760 3.4789 3.4789 4.6493 4.6493 4.6525 4.6525 16.0495 16.0495 16.0504 16.0504 k = 0.3902 0.4788 0.1948 ( 1358 PWs) bands (ev): -23.1798 -23.1798 -23.1798 -23.1798 -8.9403 -8.9403 -8.9402 -8.9402 -4.5257 -4.5257 -4.5250 -4.5250 -3.2318 -3.2318 -3.2309 -3.2309 -2.7050 -2.7050 -2.7047 -2.7047 3.5026 3.5026 3.5058 3.5058 4.6005 4.6005 4.6041 4.6041 16.0569 16.0569 16.0578 16.0578 k = 0.3862 0.4858 0.1948 ( 1358 PWs) bands (ev): -23.1763 -23.1763 -23.1763 -23.1763 -8.9336 -8.9336 -8.9335 -8.9335 -4.4912 -4.4912 -4.4904 -4.4904 -3.2833 -3.2833 -3.2824 -3.2824 -2.7105 -2.7105 -2.7102 -2.7102 3.5299 3.5299 3.5334 3.5334 4.5517 4.5517 4.5556 4.5556 16.0641 16.0641 16.0650 16.0650 k = 0.3821 0.4929 0.1948 ( 1358 PWs) bands (ev): -23.1729 -23.1729 -23.1729 -23.1729 -8.9271 -8.9271 -8.9270 -8.9270 -4.4556 -4.4556 -4.4547 -4.4547 -3.3361 -3.3361 -3.3351 -3.3351 -2.7147 -2.7147 -2.7144 -2.7144 3.5580 3.5580 3.5619 3.5619 4.5030 4.5030 4.5073 4.5073 16.0710 16.0710 16.0719 16.0719 k = 0.3780 0.4999 0.1948 ( 1358 PWs) bands (ev): -23.1696 -23.1696 -23.1696 -23.1696 -8.9209 -8.9209 -8.9208 -8.9208 -4.4190 -4.4190 -4.4181 -4.4181 -3.3898 -3.3898 -3.3887 -3.3887 -2.7179 -2.7179 -2.7176 -2.7176 3.5867 3.5867 3.5910 3.5910 4.4547 4.4547 4.4594 4.4594 16.0775 16.0775 16.0785 16.0785 k = 0.3740 0.5069 0.1948 ( 1356 PWs) bands (ev): -23.1666 -23.1666 -23.1666 -23.1666 -8.9149 -8.9149 -8.9148 -8.9148 -4.3816 -4.3816 -4.3805 -4.3805 -3.4439 -3.4439 -3.4428 -3.4428 -2.7202 -2.7202 -2.7200 -2.7200 3.6160 3.6160 3.6208 3.6208 4.4068 4.4068 4.4120 4.4120 16.0837 16.0837 16.0846 16.0846 k = 0.3699 0.5140 0.1948 ( 1360 PWs) bands (ev): -23.1637 -23.1637 -23.1637 -23.1637 -8.9093 -8.9093 -8.9093 -8.9093 -4.3432 -4.3432 -4.3420 -4.3420 -3.4983 -3.4983 -3.4970 -3.4970 -2.7220 -2.7220 -2.7218 -2.7218 3.6459 3.6459 3.6513 3.6513 4.3595 4.3595 4.3654 4.3654 16.0894 16.0894 16.0904 16.0904 k = 0.3659 0.5210 0.1948 ( 1360 PWs) bands (ev): -23.1610 -23.1610 -23.1610 -23.1610 -8.9042 -8.9042 -8.9041 -8.9041 -4.3039 -4.3039 -4.3026 -4.3026 -3.5525 -3.5525 -3.5511 -3.5511 -2.7234 -2.7234 -2.7231 -2.7231 3.6761 3.6761 3.6823 3.6823 4.3131 4.3131 4.3197 4.3197 16.0947 16.0947 16.0957 16.0957 k = 0.3618 0.5281 0.1948 ( 1364 PWs) bands (ev): -23.1586 -23.1586 -23.1586 -23.1586 -8.8994 -8.8994 -8.8993 -8.8993 -4.2639 -4.2639 -4.2624 -4.2624 -3.6063 -3.6063 -3.6047 -3.6047 -2.7244 -2.7244 -2.7241 -2.7241 3.7066 3.7066 3.7138 3.7138 4.2676 4.2676 4.2751 4.2751 16.0995 16.0995 16.1005 16.1005 k = 0.3577 0.5351 0.1948 ( 1366 PWs) bands (ev): -23.1564 -23.1564 -23.1564 -23.1564 -8.8952 -8.8952 -8.8951 -8.8951 -4.2231 -4.2231 -4.2213 -4.2213 -3.6596 -3.6596 -3.6577 -3.6577 -2.7251 -2.7251 -2.7249 -2.7249 3.7373 3.7373 3.7456 3.7456 4.2233 4.2233 4.2320 4.2320 16.1037 16.1037 16.1047 16.1047 k = 0.3537 0.5421 0.1948 ( 1374 PWs) bands (ev): -23.1545 -23.1545 -23.1545 -23.1545 -8.8915 -8.8915 -8.8914 -8.8914 -4.1816 -4.1816 -4.1795 -4.1795 -3.7121 -3.7121 -3.7099 -3.7099 -2.7256 -2.7256 -2.7254 -2.7254 3.7676 3.7676 3.7775 3.7775 4.1806 4.1806 4.1909 4.1909 16.1074 16.1074 16.1084 16.1084 k = 0.3496 0.5492 0.1948 ( 1370 PWs) bands (ev): -23.1529 -23.1529 -23.1529 -23.1529 -8.8883 -8.8883 -8.8882 -8.8882 -4.1396 -4.1396 -4.1369 -4.1369 -3.7636 -3.7636 -3.7609 -3.7609 -2.7259 -2.7259 -2.7257 -2.7257 3.7972 3.7972 3.8093 3.8093 4.1399 4.1399 4.1523 4.1523 16.1105 16.1105 16.1115 16.1115 k = 0.3455 0.5562 0.1948 ( 1370 PWs) bands (ev): -23.1516 -23.1516 -23.1516 -23.1516 -8.8858 -8.8858 -8.8857 -8.8857 -4.0973 -4.0973 -4.0937 -4.0937 -3.8140 -3.8140 -3.8104 -3.8104 -2.7261 -2.7261 -2.7259 -2.7259 3.8251 3.8251 3.8401 3.8401 4.1019 4.1019 4.1174 4.1174 16.1130 16.1130 16.1140 16.1140 k = 0.3415 0.5633 0.1948 ( 1370 PWs) bands (ev): -23.1507 -23.1507 -23.1507 -23.1507 -8.8839 -8.8839 -8.8839 -8.8839 -4.0552 -4.0552 -4.0499 -4.0499 -3.8630 -3.8630 -3.8576 -3.8576 -2.7262 -2.7262 -2.7260 -2.7260 3.8494 3.8494 3.8685 3.8685 4.0684 4.0684 4.0880 4.0880 16.1148 16.1148 16.1158 16.1158 k = 0.3374 0.5703 0.1948 ( 1374 PWs) bands (ev): -23.1501 -23.1501 -23.1501 -23.1501 -8.8828 -8.8828 -8.8827 -8.8827 -4.0159 -4.0159 -4.0063 -4.0063 -3.9098 -3.9098 -3.9002 -3.9002 -2.7263 -2.7263 -2.7261 -2.7261 3.8669 3.8669 3.8908 3.8908 4.0429 4.0429 4.0672 4.0672 16.1158 16.1158 16.1168 16.1168 k = 0.3333 0.5774 0.1948 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8824 -8.8824 -8.8823 -8.8823 -3.9937 -3.9937 -3.9733 -3.9733 -3.9439 -3.9439 -3.9234 -3.9234 -2.7263 -2.7263 -2.7261 -2.7261 3.8735 3.8735 3.9000 3.9000 4.0327 4.0327 4.0596 4.0596 16.1161 16.1161 16.1171 16.1171 k = 0.3333 0.5774 0.1948 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8824 -8.8824 -8.8823 -8.8823 -3.9937 -3.9937 -3.9733 -3.9733 -3.9439 -3.9439 -3.9234 -3.9234 -2.7263 -2.7263 -2.7261 -2.7261 3.8735 3.8735 3.9000 3.9000 4.0327 4.0327 4.0596 4.0596 16.1161 16.1161 16.1171 16.1171 k = 0.3293 0.5703 0.1948 ( 1372 PWs) bands (ev): -23.1501 -23.1501 -23.1501 -23.1501 -8.8828 -8.8828 -8.8827 -8.8827 -4.0155 -4.0155 -4.0058 -4.0058 -3.9103 -3.9103 -3.9006 -3.9006 -2.7263 -2.7263 -2.7261 -2.7261 3.8672 3.8672 3.8912 3.8912 4.0426 4.0426 4.0670 4.0670 16.1158 16.1158 16.1168 16.1168 k = 0.3252 0.5633 0.1948 ( 1372 PWs) bands (ev): -23.1507 -23.1507 -23.1507 -23.1507 -8.8840 -8.8840 -8.8840 -8.8840 -4.0532 -4.0532 -4.0479 -4.0479 -3.8649 -3.8649 -3.8594 -3.8594 -2.7263 -2.7263 -2.7261 -2.7261 3.8510 3.8510 3.8704 3.8704 4.0666 4.0666 4.0865 4.0865 16.1147 16.1147 16.1157 16.1157 k = 0.3211 0.5562 0.1948 ( 1376 PWs) bands (ev): -23.1518 -23.1518 -23.1518 -23.1518 -8.8861 -8.8861 -8.8861 -8.8861 -4.0925 -4.0925 -4.0888 -4.0888 -3.8182 -3.8182 -3.8145 -3.8145 -2.7262 -2.7262 -2.7260 -2.7260 3.8296 3.8296 3.8451 3.8451 4.0975 4.0975 4.1135 4.1135 16.1127 16.1127 16.1137 16.1137 k = 0.3171 0.5492 0.1948 ( 1368 PWs) bands (ev): -23.1533 -23.1533 -23.1533 -23.1533 -8.8891 -8.8891 -8.8890 -8.8890 -4.1309 -4.1309 -4.1281 -4.1281 -3.7709 -3.7709 -3.7680 -3.7680 -2.7262 -2.7262 -2.7260 -2.7260 3.8062 3.8062 3.8189 3.8189 4.1316 4.1316 4.1447 4.1447 16.1100 16.1100 16.1110 16.1110 k = 0.3130 0.5421 0.1948 ( 1370 PWs) bands (ev): -23.1553 -23.1553 -23.1553 -23.1553 -8.8930 -8.8930 -8.8930 -8.8930 -4.1678 -4.1678 -4.1655 -4.1655 -3.7230 -3.7230 -3.7207 -3.7207 -2.7261 -2.7261 -2.7259 -2.7259 3.7826 3.7826 3.7933 3.7933 4.1675 4.1675 4.1786 4.1786 16.1064 16.1064 16.1074 16.1074 k = 0.3089 0.5351 0.1948 ( 1374 PWs) bands (ev): -23.1577 -23.1577 -23.1577 -23.1577 -8.8979 -8.8979 -8.8978 -8.8978 -4.2028 -4.2028 -4.2009 -4.2009 -3.6748 -3.6748 -3.6728 -3.6728 -2.7261 -2.7261 -2.7259 -2.7259 3.7598 3.7598 3.7689 3.7689 4.2045 4.2045 4.2141 4.2141 16.1019 16.1019 16.1029 16.1029 k = 0.3049 0.5281 0.1948 ( 1370 PWs) bands (ev): -23.1607 -23.1607 -23.1607 -23.1607 -8.9038 -8.9038 -8.9037 -8.9037 -4.2358 -4.2358 -4.2342 -4.2342 -3.6261 -3.6261 -3.6244 -3.6244 -2.7260 -2.7260 -2.7258 -2.7258 3.7383 3.7383 3.7462 3.7462 4.2423 4.2423 4.2507 4.2507 16.0967 16.0967 16.0977 16.0977 k = 0.3008 0.5210 0.1948 ( 1370 PWs) bands (ev): -23.1642 -23.1642 -23.1642 -23.1642 -8.9106 -8.9106 -8.9105 -8.9105 -4.2667 -4.2667 -4.2653 -4.2653 -3.5772 -3.5772 -3.5756 -3.5756 -2.7259 -2.7259 -2.7257 -2.7257 3.7184 3.7184 3.7255 3.7255 4.2806 4.2806 4.2881 4.2881 16.0906 16.0906 16.0916 16.0916 k = 0.2967 0.5140 0.1948 ( 1362 PWs) bands (ev): -23.1682 -23.1682 -23.1682 -23.1682 -8.9185 -8.9185 -8.9184 -8.9184 -4.2954 -4.2954 -4.2941 -4.2941 -3.5279 -3.5279 -3.5265 -3.5265 -2.7258 -2.7258 -2.7256 -2.7256 3.7005 3.7005 3.7068 3.7068 4.3194 4.3194 4.3261 4.3261 16.0837 16.0837 16.0847 16.0847 k = 0.2927 0.5069 0.1948 ( 1362 PWs) bands (ev): -23.1727 -23.1727 -23.1727 -23.1727 -8.9274 -8.9274 -8.9273 -8.9273 -4.3219 -4.3219 -4.3207 -4.3207 -3.4784 -3.4784 -3.4771 -3.4771 -2.7257 -2.7257 -2.7254 -2.7254 3.6846 3.6846 3.6903 3.6903 4.3584 4.3584 4.3645 4.3645 16.0759 16.0759 16.0768 16.0768 k = 0.2886 0.4999 0.1948 ( 1354 PWs) bands (ev): -23.1778 -23.1778 -23.1778 -23.1778 -8.9373 -8.9373 -8.9373 -8.9373 -4.3461 -4.3461 -4.3450 -4.3450 -3.4288 -3.4288 -3.4275 -3.4275 -2.7255 -2.7255 -2.7252 -2.7252 3.6708 3.6708 3.6761 3.6761 4.3977 4.3977 4.4033 4.4033 16.0673 16.0673 16.0682 16.0682 k = 0.2846 0.4929 0.1948 ( 1354 PWs) bands (ev): -23.1834 -23.1834 -23.1834 -23.1834 -8.9484 -8.9484 -8.9483 -8.9483 -4.3680 -4.3680 -4.3670 -4.3670 -3.3790 -3.3790 -3.3778 -3.3778 -2.7253 -2.7253 -2.7250 -2.7250 3.6594 3.6594 3.6641 3.6641 4.4371 4.4371 4.4423 4.4423 16.0578 16.0578 16.0587 16.0587 k = 0.2805 0.4858 0.1948 ( 1354 PWs) bands (ev): -23.1895 -23.1895 -23.1895 -23.1895 -8.9604 -8.9604 -8.9603 -8.9603 -4.3875 -4.3875 -4.3865 -4.3865 -3.3292 -3.3292 -3.3280 -3.3280 -2.7250 -2.7250 -2.7246 -2.7246 3.6502 3.6502 3.6546 3.6546 4.4767 4.4767 4.4815 4.4815 16.0475 16.0475 16.0484 16.0484 k = 0.2764 0.4788 0.1948 ( 1354 PWs) bands (ev): -23.1962 -23.1962 -23.1962 -23.1962 -8.9736 -8.9736 -8.9735 -8.9735 -4.4046 -4.4046 -4.4037 -4.4037 -3.2792 -3.2792 -3.2781 -3.2781 -2.7247 -2.7247 -2.7243 -2.7243 3.6434 3.6434 3.6475 3.6475 4.5163 4.5163 4.5208 4.5208 16.0363 16.0363 16.0373 16.0373 k = 0.2724 0.4717 0.1948 ( 1366 PWs) bands (ev): -23.2035 -23.2035 -23.2035 -23.2035 -8.9877 -8.9877 -8.9877 -8.9877 -4.4193 -4.4193 -4.4184 -4.4184 -3.2294 -3.2294 -3.2282 -3.2282 -2.7243 -2.7243 -2.7238 -2.7238 3.6389 3.6389 3.6428 3.6428 4.5559 4.5559 4.5601 4.5601 16.0243 16.0243 16.0252 16.0252 k = 0.2683 0.4647 0.1948 ( 1366 PWs) bands (ev): -23.2113 -23.2113 -23.2113 -23.2113 -9.0030 -9.0030 -9.0029 -9.0029 -4.4315 -4.4315 -4.4308 -4.4308 -3.1795 -3.1795 -3.1783 -3.1783 -2.7237 -2.7237 -2.7231 -2.7231 3.6370 3.6370 3.6406 3.6406 4.5955 4.5955 4.5995 4.5995 16.0116 16.0116 16.0125 16.0125 k = 0.2642 0.4577 0.1948 ( 1366 PWs) bands (ev): -23.2196 -23.2196 -23.2196 -23.2196 -9.0192 -9.0192 -9.0192 -9.0192 -4.4414 -4.4414 -4.4407 -4.4407 -3.1298 -3.1298 -3.1286 -3.1286 -2.7230 -2.7230 -2.7223 -2.7223 3.6375 3.6375 3.6409 3.6409 4.6351 4.6351 4.6388 4.6388 15.9981 15.9981 15.9990 15.9990 k = 0.2602 0.4506 0.1948 ( 1366 PWs) bands (ev): -23.2285 -23.2285 -23.2285 -23.2285 -9.0365 -9.0365 -9.0365 -9.0365 -4.4489 -4.4489 -4.4482 -4.4482 -3.0802 -3.0802 -3.0789 -3.0789 -2.7221 -2.7221 -2.7214 -2.7214 3.6405 3.6405 3.6436 3.6436 4.6745 4.6745 4.6781 4.6781 15.9838 15.9838 15.9847 15.9847 k = 0.2561 0.4436 0.1948 ( 1362 PWs) bands (ev): -23.2380 -23.2380 -23.2380 -23.2380 -9.0549 -9.0549 -9.0548 -9.0548 -4.4539 -4.4539 -4.4533 -4.4533 -3.0309 -3.0309 -3.0295 -3.0295 -2.7210 -2.7210 -2.7201 -2.7201 3.6459 3.6459 3.6489 3.6489 4.7138 4.7138 4.7172 4.7172 15.9689 15.9689 15.9698 15.9698 k = 0.2520 0.4365 0.1948 ( 1362 PWs) bands (ev): -23.2480 -23.2480 -23.2480 -23.2480 -9.0741 -9.0741 -9.0741 -9.0741 -4.4566 -4.4566 -4.4560 -4.4560 -2.9819 -2.9819 -2.9803 -2.9803 -2.7197 -2.7197 -2.7187 -2.7187 3.6539 3.6539 3.6567 3.6567 4.7529 4.7529 4.7561 4.7561 15.9533 15.9533 15.9541 15.9541 k = 0.2480 0.4295 0.1948 ( 1362 PWs) bands (ev): -23.2585 -23.2585 -23.2585 -23.2585 -9.0944 -9.0944 -9.0943 -9.0943 -4.4570 -4.4570 -4.4564 -4.4564 -2.9333 -2.9333 -2.9314 -2.9314 -2.7181 -2.7181 -2.7168 -2.7168 3.6643 3.6643 3.6670 3.6670 4.7918 4.7918 4.7949 4.7949 15.9369 15.9369 15.9377 15.9377 k = 0.2439 0.4225 0.1948 ( 1366 PWs) bands (ev): -23.2695 -23.2695 -23.2695 -23.2695 -9.1156 -9.1156 -9.1155 -9.1155 -4.4550 -4.4550 -4.4545 -4.4545 -2.8853 -2.8853 -2.8830 -2.8830 -2.7162 -2.7162 -2.7144 -2.7144 3.6771 3.6771 3.6797 3.6797 4.8304 4.8304 4.8333 4.8333 15.9199 15.9199 15.9207 15.9207 k = 0.2398 0.4154 0.1948 ( 1368 PWs) bands (ev): -23.2810 -23.2810 -23.2810 -23.2810 -9.1377 -9.1377 -9.1376 -9.1376 -4.4508 -4.4508 -4.4503 -4.4503 -2.8382 -2.8382 -2.8353 -2.8353 -2.7135 -2.7135 -2.7111 -2.7111 3.6924 3.6924 3.6948 3.6948 4.8688 4.8688 4.8716 4.8716 15.9023 15.9023 15.9031 15.9031 k = 0.2358 0.4084 0.1948 ( 1368 PWs) bands (ev): -23.2930 -23.2930 -23.2930 -23.2930 -9.1606 -9.1606 -9.1606 -9.1606 -4.4444 -4.4444 -4.4439 -4.4439 -2.7931 -2.7931 -2.7889 -2.7889 -2.7097 -2.7097 -2.7059 -2.7059 3.7101 3.7101 3.7124 3.7124 4.9068 4.9068 4.9095 4.9095 15.8841 15.8841 15.8848 15.8848 k = 0.2317 0.4013 0.1948 ( 1368 PWs) bands (ev): -23.3055 -23.3055 -23.3055 -23.3055 -9.1844 -9.1844 -9.1844 -9.1844 -4.4358 -4.4358 -4.4353 -4.4353 -2.7533 -2.7533 -2.7466 -2.7466 -2.7018 -2.7018 -2.6955 -2.6955 3.7302 3.7302 3.7324 3.7324 4.9445 4.9445 4.9470 4.9470 15.8653 15.8653 15.8661 15.8661 k = 0.2276 0.3943 0.1948 ( 1368 PWs) bands (ev): -23.3185 -23.3185 -23.3185 -23.3185 -9.2090 -9.2090 -9.2089 -9.2089 -4.4251 -4.4251 -4.4247 -4.4247 -2.7273 -2.7273 -2.7204 -2.7204 -2.6778 -2.6778 -2.6713 -2.6713 3.7527 3.7527 3.7548 3.7548 4.9818 4.9818 4.9842 4.9842 15.8460 15.8460 15.8468 15.8468 k = 0.2236 0.3872 0.1948 ( 1368 PWs) bands (ev): -23.3319 -23.3319 -23.3319 -23.3319 -9.2343 -9.2343 -9.2343 -9.2343 -4.4125 -4.4125 -4.4120 -4.4120 -2.7155 -2.7155 -2.7111 -2.7111 -2.6371 -2.6371 -2.6330 -2.6330 3.7774 3.7774 3.7794 3.7794 5.0186 5.0186 5.0210 5.0210 15.8263 15.8263 15.8269 15.8269 k = 0.2195 0.3802 0.1948 ( 1368 PWs) bands (ev): -23.3457 -23.3457 -23.3457 -23.3457 -9.2604 -9.2604 -9.2603 -9.2603 -4.3979 -4.3979 -4.3974 -4.3974 -2.7085 -2.7085 -2.7055 -2.7055 -2.5927 -2.5927 -2.5900 -2.5900 3.8044 3.8044 3.8064 3.8064 5.0551 5.0551 5.0573 5.0573 15.8060 15.8060 15.8067 15.8067 k = 0.2154 0.3732 0.1948 ( 1368 PWs) bands (ev): -23.3600 -23.3600 -23.3600 -23.3600 -9.2871 -9.2871 -9.2870 -9.2870 -4.3814 -4.3814 -4.3810 -4.3810 -2.7027 -2.7027 -2.7004 -2.7004 -2.5478 -2.5478 -2.5458 -2.5458 3.8337 3.8337 3.8355 3.8355 5.0910 5.0910 5.0932 5.0932 15.7853 15.7853 15.7859 15.7859 k = 0.2114 0.3661 0.1948 ( 1364 PWs) bands (ev): -23.3746 -23.3746 -23.3746 -23.3746 -9.3144 -9.3144 -9.3143 -9.3143 -4.3633 -4.3633 -4.3628 -4.3628 -2.6970 -2.6970 -2.6951 -2.6951 -2.5031 -2.5031 -2.5015 -2.5015 3.8650 3.8650 3.8668 3.8668 5.1265 5.1265 5.1285 5.1285 15.7642 15.7642 15.7649 15.7649 k = 0.2073 0.3591 0.1948 ( 1360 PWs) bands (ev): -23.3896 -23.3896 -23.3896 -23.3896 -9.3423 -9.3423 -9.3422 -9.3422 -4.3435 -4.3435 -4.3431 -4.3431 -2.6910 -2.6910 -2.6894 -2.6894 -2.4589 -2.4589 -2.4576 -2.4576 3.8985 3.8985 3.9002 3.9002 5.1614 5.1614 5.1634 5.1634 15.7427 15.7427 15.7433 15.7433 k = 0.2033 0.3520 0.1948 ( 1364 PWs) bands (ev): -23.4049 -23.4049 -23.4049 -23.4049 -9.3707 -9.3707 -9.3706 -9.3706 -4.3222 -4.3222 -4.3218 -4.3218 -2.6844 -2.6844 -2.6830 -2.6830 -2.4152 -2.4152 -2.4141 -2.4141 3.9341 3.9341 3.9357 3.9357 5.1958 5.1958 5.1977 5.1977 15.7207 15.7207 15.7213 15.7213 k = 0.1992 0.3450 0.1948 ( 1362 PWs) bands (ev): -23.4206 -23.4206 -23.4206 -23.4206 -9.3995 -9.3995 -9.3995 -9.3995 -4.2995 -4.2995 -4.2992 -4.2992 -2.6772 -2.6772 -2.6760 -2.6760 -2.3721 -2.3721 -2.3712 -2.3712 3.9715 3.9715 3.9731 3.9731 5.2296 5.2296 5.2315 5.2315 15.6985 15.6985 15.6990 15.6990 k = 0.1951 0.3380 0.1948 ( 1366 PWs) bands (ev): -23.4365 -23.4365 -23.4365 -23.4365 -9.4288 -9.4288 -9.4288 -9.4288 -4.2756 -4.2756 -4.2753 -4.2753 -2.6692 -2.6692 -2.6681 -2.6681 -2.3298 -2.3298 -2.3290 -2.3290 4.0109 4.0109 4.0124 4.0124 5.2629 5.2629 5.2646 5.2646 15.6759 15.6759 15.6764 15.6764 k = 0.1911 0.3309 0.1948 ( 1366 PWs) bands (ev): -23.4527 -23.4527 -23.4527 -23.4527 -9.4585 -9.4585 -9.4584 -9.4584 -4.2507 -4.2507 -4.2503 -4.2503 -2.6603 -2.6603 -2.6593 -2.6593 -2.2881 -2.2881 -2.2874 -2.2874 4.0521 4.0521 4.0536 4.0536 5.2955 5.2955 5.2972 5.2972 15.6530 15.6530 15.6535 15.6535 k = 0.1870 0.3239 0.1948 ( 1370 PWs) bands (ev): -23.4692 -23.4692 -23.4692 -23.4692 -9.4884 -9.4884 -9.4884 -9.4884 -4.2248 -4.2248 -4.2245 -4.2245 -2.6504 -2.6504 -2.6495 -2.6495 -2.2473 -2.2473 -2.2466 -2.2466 4.0951 4.0951 4.0964 4.0964 5.3274 5.3274 5.3290 5.3290 15.6299 15.6299 15.6303 15.6303 k = 0.1829 0.3168 0.1948 ( 1374 PWs) bands (ev): -23.4858 -23.4858 -23.4858 -23.4858 -9.5187 -9.5187 -9.5186 -9.5186 -4.1982 -4.1982 -4.1978 -4.1978 -2.6395 -2.6395 -2.6386 -2.6386 -2.2072 -2.2072 -2.2066 -2.2066 4.1396 4.1396 4.1410 4.1410 5.3587 5.3587 5.3603 5.3603 15.6064 15.6064 15.6069 15.6069 k = 0.1789 0.3098 0.1948 ( 1370 PWs) bands (ev): -23.5027 -23.5027 -23.5027 -23.5027 -9.5491 -9.5491 -9.5491 -9.5491 -4.1709 -4.1709 -4.1706 -4.1706 -2.6273 -2.6273 -2.6265 -2.6265 -2.1679 -2.1679 -2.1673 -2.1673 4.1858 4.1858 4.1871 4.1871 5.3894 5.3894 5.3909 5.3909 15.5828 15.5828 15.5832 15.5832 k = 0.1748 0.3028 0.1948 ( 1370 PWs) bands (ev): -23.5197 -23.5197 -23.5197 -23.5197 -9.5797 -9.5797 -9.5797 -9.5797 -4.1433 -4.1433 -4.1430 -4.1430 -2.6138 -2.6138 -2.6131 -2.6131 -2.1294 -2.1294 -2.1289 -2.1289 4.2334 4.2334 4.2347 4.2347 5.4194 5.4194 5.4208 5.4208 15.5588 15.5588 15.5593 15.5593 k = 0.1707 0.2957 0.1948 ( 1378 PWs) bands (ev): -23.5369 -23.5369 -23.5369 -23.5369 -9.6104 -9.6104 -9.6103 -9.6103 -4.1154 -4.1154 -4.1151 -4.1151 -2.5990 -2.5990 -2.5983 -2.5983 -2.0918 -2.0918 -2.0913 -2.0913 4.2824 4.2824 4.2836 4.2836 5.4486 5.4486 5.4500 5.4500 15.5346 15.5346 15.5350 15.5350 k = 0.1667 0.2887 0.1948 ( 1378 PWs) bands (ev): -23.5541 -23.5541 -23.5541 -23.5541 -9.6411 -9.6411 -9.6411 -9.6411 -4.0875 -4.0875 -4.0872 -4.0872 -2.5826 -2.5826 -2.5820 -2.5820 -2.0550 -2.0550 -2.0546 -2.0546 4.3327 4.3327 4.3339 4.3339 5.4772 5.4772 5.4785 5.4785 15.5103 15.5103 15.5106 15.5106 k = 0.1626 0.2816 0.1948 ( 1374 PWs) bands (ev): -23.5714 -23.5714 -23.5714 -23.5714 -9.6718 -9.6718 -9.6718 -9.6718 -4.0597 -4.0597 -4.0594 -4.0594 -2.5647 -2.5647 -2.5640 -2.5640 -2.0192 -2.0192 -2.0187 -2.0187 4.3842 4.3842 4.3854 4.3854 5.5051 5.5051 5.5064 5.5064 15.4857 15.4857 15.4860 15.4860 k = 0.1585 0.2746 0.1948 ( 1378 PWs) bands (ev): -23.5888 -23.5888 -23.5888 -23.5888 -9.7025 -9.7025 -9.7025 -9.7025 -4.0322 -4.0322 -4.0320 -4.0320 -2.5451 -2.5451 -2.5445 -2.5445 -1.9842 -1.9842 -1.9838 -1.9838 4.4368 4.4368 4.4378 4.4378 5.5322 5.5322 5.5334 5.5334 15.4609 15.4609 15.4612 15.4612 k = 0.1545 0.2676 0.1948 ( 1374 PWs) bands (ev): -23.6061 -23.6061 -23.6061 -23.6061 -9.7330 -9.7330 -9.7330 -9.7330 -4.0052 -4.0052 -4.0050 -4.0050 -2.5237 -2.5237 -2.5231 -2.5231 -1.9502 -1.9502 -1.9498 -1.9498 4.4903 4.4903 4.4913 4.4913 5.5586 5.5586 5.5598 5.5598 15.4359 15.4359 15.4362 15.4362 k = 0.1504 0.2605 0.1948 ( 1374 PWs) bands (ev): -23.6234 -23.6234 -23.6234 -23.6234 -9.7634 -9.7634 -9.7634 -9.7634 -3.9789 -3.9789 -3.9786 -3.9786 -2.5005 -2.5005 -2.5000 -2.5000 -1.9171 -1.9171 -1.9167 -1.9167 4.5447 4.5447 4.5457 4.5457 5.5843 5.5843 5.5854 5.5854 15.4107 15.4107 15.4110 15.4110 k = 0.1463 0.2535 0.1948 ( 1374 PWs) bands (ev): -23.6407 -23.6407 -23.6407 -23.6407 -9.7936 -9.7936 -9.7936 -9.7936 -3.9533 -3.9533 -3.9531 -3.9531 -2.4754 -2.4754 -2.4749 -2.4749 -1.8849 -1.8849 -1.8846 -1.8846 4.5999 4.5999 4.6008 4.6008 5.6092 5.6092 5.6103 5.6103 15.3852 15.3852 15.3855 15.3855 k = 0.1423 0.2464 0.1948 ( 1378 PWs) bands (ev): -23.6580 -23.6580 -23.6580 -23.6580 -9.8235 -9.8235 -9.8235 -9.8235 -3.9287 -3.9287 -3.9285 -3.9285 -2.4485 -2.4485 -2.4480 -2.4480 -1.8537 -1.8537 -1.8534 -1.8534 4.6556 4.6556 4.6566 4.6566 5.6334 5.6334 5.6344 5.6344 15.3594 15.3594 15.3597 15.3597 k = 0.1382 0.2394 0.1948 ( 1378 PWs) bands (ev): -23.6751 -23.6751 -23.6751 -23.6751 -9.8532 -9.8532 -9.8532 -9.8532 -3.9052 -3.9052 -3.9050 -3.9050 -2.4196 -2.4196 -2.4192 -2.4192 -1.8234 -1.8234 -1.8231 -1.8231 4.7119 4.7119 4.7128 4.7128 5.6568 5.6568 5.6578 5.6578 15.3335 15.3335 15.3338 15.3338 k = 0.1341 0.2323 0.1948 ( 1378 PWs) bands (ev): -23.6921 -23.6921 -23.6921 -23.6921 -9.8825 -9.8825 -9.8825 -9.8825 -3.8828 -3.8828 -3.8826 -3.8826 -2.3889 -2.3889 -2.3884 -2.3884 -1.7941 -1.7941 -1.7938 -1.7938 4.7686 4.7686 4.7694 4.7694 5.6795 5.6795 5.6805 5.6805 15.3074 15.3074 15.3076 15.3076 k = 0.1301 0.2253 0.1948 ( 1370 PWs) bands (ev): -23.7089 -23.7089 -23.7089 -23.7089 -9.9114 -9.9114 -9.9113 -9.9113 -3.8616 -3.8616 -3.8615 -3.8615 -2.3563 -2.3563 -2.3559 -2.3559 -1.7657 -1.7657 -1.7654 -1.7654 4.8255 4.8255 4.8264 4.8264 5.7015 5.7015 5.7024 5.7024 15.2811 15.2811 15.2813 15.2813 k = 0.1260 0.2183 0.1948 ( 1366 PWs) bands (ev): -23.7255 -23.7255 -23.7255 -23.7255 -9.9398 -9.9398 -9.9398 -9.9398 -3.8417 -3.8417 -3.8416 -3.8416 -2.3219 -2.3219 -2.3215 -2.3215 -1.7383 -1.7383 -1.7380 -1.7380 4.8827 4.8827 4.8835 4.8835 5.7227 5.7227 5.7235 5.7235 15.2544 15.2544 15.2546 15.2546 k = 0.1220 0.2112 0.1948 ( 1374 PWs) bands (ev): -23.7419 -23.7419 -23.7419 -23.7419 -9.9678 -9.9678 -9.9678 -9.9678 -3.8232 -3.8232 -3.8231 -3.8231 -2.2860 -2.2860 -2.2856 -2.2856 -1.7118 -1.7118 -1.7116 -1.7116 4.9397 4.9397 4.9405 4.9405 5.7431 5.7431 5.7439 5.7439 15.2275 15.2275 15.2277 15.2277 k = 0.1179 0.2042 0.1948 ( 1378 PWs) bands (ev): -23.7581 -23.7581 -23.7581 -23.7581 -9.9953 -9.9953 -9.9952 -9.9952 -3.8060 -3.8060 -3.8059 -3.8059 -2.2484 -2.2484 -2.2480 -2.2480 -1.6864 -1.6864 -1.6861 -1.6861 4.9967 4.9967 4.9974 4.9974 5.7628 5.7628 5.7635 5.7635 15.2002 15.2002 15.2004 15.2004 k = 0.1138 0.1971 0.1948 ( 1372 PWs) bands (ev): -23.7739 -23.7739 -23.7739 -23.7739 -10.0221 -10.0221 -10.0221 -10.0221 -3.7901 -3.7901 -3.7900 -3.7900 -2.2093 -2.2093 -2.2090 -2.2090 -1.6618 -1.6618 -1.6616 -1.6616 5.0534 5.0534 5.0541 5.0541 5.7818 5.7818 5.7825 5.7825 15.1727 15.1727 15.1729 15.1729 k = 0.1098 0.1901 0.1948 ( 1372 PWs) bands (ev): -23.7895 -23.7895 -23.7895 -23.7895 -10.0484 -10.0484 -10.0484 -10.0484 -3.7755 -3.7755 -3.7754 -3.7754 -2.1691 -2.1691 -2.1688 -2.1688 -1.6382 -1.6382 -1.6380 -1.6380 5.1097 5.1097 5.1104 5.1104 5.7999 5.7999 5.8007 5.8007 15.1448 15.1448 15.1450 15.1450 k = 0.1057 0.1831 0.1948 ( 1380 PWs) bands (ev): -23.8048 -23.8048 -23.8048 -23.8048 -10.0741 -10.0741 -10.0741 -10.0741 -3.7622 -3.7622 -3.7622 -3.7622 -2.1277 -2.1277 -2.1274 -2.1274 -1.6156 -1.6156 -1.6154 -1.6154 5.1655 5.1655 5.1661 5.1661 5.8173 5.8173 5.8180 5.8180 15.1167 15.1167 15.1168 15.1168 k = 0.1016 0.1760 0.1948 ( 1376 PWs) bands (ev): -23.8197 -23.8197 -23.8197 -23.8197 -10.0991 -10.0991 -10.0991 -10.0991 -3.7502 -3.7502 -3.7501 -3.7501 -2.0855 -2.0855 -2.0852 -2.0852 -1.5939 -1.5939 -1.5937 -1.5937 5.2207 5.2207 5.2213 5.2213 5.8340 5.8340 5.8347 5.8347 15.0882 15.0882 15.0883 15.0883 k = 0.0976 0.1690 0.1948 ( 1372 PWs) bands (ev): -23.8342 -23.8342 -23.8342 -23.8342 -10.1234 -10.1234 -10.1234 -10.1234 -3.7393 -3.7393 -3.7392 -3.7392 -2.0425 -2.0425 -2.0423 -2.0423 -1.5732 -1.5732 -1.5730 -1.5730 5.2751 5.2751 5.2757 5.2757 5.8500 5.8500 5.8506 5.8506 15.0593 15.0593 15.0594 15.0594 k = 0.0935 0.1619 0.1948 ( 1372 PWs) bands (ev): -23.8483 -23.8483 -23.8483 -23.8483 -10.1469 -10.1469 -10.1469 -10.1469 -3.7295 -3.7295 -3.7294 -3.7294 -1.9991 -1.9991 -1.9988 -1.9988 -1.5534 -1.5534 -1.5532 -1.5532 5.3286 5.3286 5.3291 5.3291 5.8653 5.8653 5.8659 5.8659 15.0302 15.0302 15.0303 15.0303 k = 0.0894 0.1549 0.1948 ( 1372 PWs) bands (ev): -23.8620 -23.8620 -23.8620 -23.8620 -10.1697 -10.1697 -10.1697 -10.1697 -3.7207 -3.7207 -3.7206 -3.7206 -1.9554 -1.9554 -1.9551 -1.9551 -1.5345 -1.5345 -1.5343 -1.5343 5.3810 5.3810 5.3815 5.3815 5.8798 5.8798 5.8804 5.8804 15.0008 15.0008 15.0009 15.0009 k = 0.0854 0.1479 0.1948 ( 1372 PWs) bands (ev): -23.8752 -23.8752 -23.8752 -23.8752 -10.1916 -10.1916 -10.1916 -10.1916 -3.7129 -3.7129 -3.7128 -3.7128 -1.9116 -1.9116 -1.9114 -1.9114 -1.5165 -1.5165 -1.5164 -1.5164 5.4322 5.4322 5.4327 5.4327 5.8937 5.8937 5.8942 5.8942 14.9712 14.9712 14.9713 14.9713 k = 0.0813 0.1408 0.1948 ( 1376 PWs) bands (ev): -23.8880 -23.8880 -23.8880 -23.8880 -10.2128 -10.2128 -10.2128 -10.2128 -3.7059 -3.7059 -3.7059 -3.7059 -1.8681 -1.8681 -1.8679 -1.8679 -1.4995 -1.4995 -1.4993 -1.4993 5.4821 5.4821 5.4826 5.4826 5.9068 5.9068 5.9073 5.9073 14.9414 14.9414 14.9414 14.9414 k = 0.0772 0.1338 0.1948 ( 1380 PWs) bands (ev): -23.9003 -23.9003 -23.9003 -23.9003 -10.2331 -10.2331 -10.2331 -10.2331 -3.6998 -3.6998 -3.6998 -3.6998 -1.8250 -1.8250 -1.8248 -1.8248 -1.4833 -1.4833 -1.4832 -1.4832 5.5305 5.5305 5.5309 5.5309 5.9192 5.9192 5.9197 5.9197 14.9115 14.9115 14.9115 14.9115 k = 0.0732 0.1267 0.1948 ( 1380 PWs) bands (ev): -23.9121 -23.9121 -23.9121 -23.9121 -10.2525 -10.2525 -10.2525 -10.2525 -3.6944 -3.6944 -3.6944 -3.6944 -1.7825 -1.7825 -1.7823 -1.7823 -1.4680 -1.4680 -1.4679 -1.4679 5.5773 5.5773 5.5778 5.5778 5.9310 5.9310 5.9314 5.9314 14.8815 14.8815 14.8816 14.8816 k = 0.0691 0.1197 0.1948 ( 1376 PWs) bands (ev): -23.9233 -23.9233 -23.9233 -23.9233 -10.2709 -10.2709 -10.2709 -10.2709 -3.6897 -3.6897 -3.6897 -3.6897 -1.7408 -1.7408 -1.7407 -1.7407 -1.4536 -1.4536 -1.4535 -1.4535 5.6225 5.6225 5.6229 5.6229 5.9421 5.9421 5.9425 5.9425 14.8518 14.8518 14.8518 14.8518 k = 0.0650 0.1127 0.1948 ( 1368 PWs) bands (ev): -23.9340 -23.9340 -23.9340 -23.9340 -10.2885 -10.2885 -10.2885 -10.2885 -3.6856 -3.6856 -3.6856 -3.6856 -1.7003 -1.7003 -1.7001 -1.7001 -1.4401 -1.4401 -1.4400 -1.4400 5.6658 5.6658 5.6662 5.6662 5.9526 5.9526 5.9530 5.9530 14.8222 14.8222 14.8222 14.8222 k = 0.0610 0.1056 0.1948 ( 1368 PWs) bands (ev): -23.9442 -23.9442 -23.9442 -23.9442 -10.3051 -10.3051 -10.3051 -10.3051 -3.6821 -3.6821 -3.6821 -3.6821 -1.6610 -1.6610 -1.6609 -1.6609 -1.4274 -1.4274 -1.4273 -1.4273 5.7072 5.7072 5.7075 5.7075 5.9624 5.9624 5.9628 5.9628 14.7930 14.7930 14.7930 14.7930 k = 0.0569 0.0986 0.1948 ( 1368 PWs) bands (ev): -23.9537 -23.9537 -23.9537 -23.9537 -10.3207 -10.3207 -10.3207 -10.3207 -3.6790 -3.6790 -3.6790 -3.6790 -1.6232 -1.6232 -1.6231 -1.6231 -1.4156 -1.4156 -1.4155 -1.4155 5.7464 5.7464 5.7468 5.7468 5.9716 5.9716 5.9719 5.9719 14.7643 14.7643 14.7643 14.7643 k = 0.0528 0.0915 0.1948 ( 1370 PWs) bands (ev): -23.9627 -23.9627 -23.9627 -23.9627 -10.3353 -10.3353 -10.3353 -10.3353 -3.6764 -3.6764 -3.6764 -3.6764 -1.5872 -1.5872 -1.5871 -1.5871 -1.4046 -1.4046 -1.4045 -1.4045 5.7835 5.7835 5.7838 5.7838 5.9801 5.9801 5.9804 5.9804 14.7364 14.7364 14.7364 14.7364 k = 0.0488 0.0845 0.1948 ( 1370 PWs) bands (ev): -23.9711 -23.9711 -23.9711 -23.9711 -10.3489 -10.3489 -10.3489 -10.3489 -3.6742 -3.6742 -3.6742 -3.6742 -1.5530 -1.5530 -1.5529 -1.5529 -1.3944 -1.3944 -1.3943 -1.3943 5.8182 5.8182 5.8184 5.8184 5.9880 5.9880 5.9883 5.9883 14.7094 14.7094 14.7094 14.7094 k = 0.0447 0.0774 0.1948 ( 1370 PWs) bands (ev): -23.9788 -23.9788 -23.9788 -23.9788 -10.3615 -10.3615 -10.3615 -10.3615 -3.6723 -3.6723 -3.6723 -3.6723 -1.5209 -1.5209 -1.5208 -1.5208 -1.3850 -1.3850 -1.3849 -1.3849 5.8504 5.8504 5.8507 5.8507 5.9954 5.9954 5.9957 5.9957 14.6835 14.6835 14.6835 14.6835 k = 0.0407 0.0704 0.1948 ( 1370 PWs) bands (ev): -23.9860 -23.9860 -23.9860 -23.9860 -10.3731 -10.3731 -10.3731 -10.3731 -3.6707 -3.6707 -3.6707 -3.6707 -1.4911 -1.4911 -1.4910 -1.4910 -1.3763 -1.3763 -1.3763 -1.3763 5.8801 5.8801 5.8803 5.8803 6.0022 6.0022 6.0025 6.0025 14.6590 14.6590 14.6590 14.6590 k = 0.0366 0.0634 0.1948 ( 1366 PWs) bands (ev): -23.9924 -23.9924 -23.9924 -23.9924 -10.3835 -10.3835 -10.3835 -10.3835 -3.6694 -3.6694 -3.6693 -3.6693 -1.4637 -1.4637 -1.4637 -1.4637 -1.3684 -1.3684 -1.3683 -1.3683 5.9071 5.9071 5.9073 5.9073 6.0086 6.0086 6.0088 6.0088 14.6360 14.6360 14.6360 14.6360 k = 0.0325 0.0563 0.1948 ( 1366 PWs) bands (ev): -23.9983 -23.9983 -23.9983 -23.9983 -10.3930 -10.3930 -10.3930 -10.3930 -3.6682 -3.6682 -3.6682 -3.6682 -1.4390 -1.4390 -1.4389 -1.4389 -1.3612 -1.3612 -1.3611 -1.3611 5.9312 5.9312 5.9314 5.9314 6.0145 6.0145 6.0146 6.0146 14.6149 14.6149 14.6149 14.6149 k = 0.0285 0.0493 0.1948 ( 1362 PWs) bands (ev): -24.0034 -24.0034 -24.0034 -24.0034 -10.4013 -10.4013 -10.4013 -10.4013 -3.6673 -3.6673 -3.6673 -3.6673 -1.4171 -1.4171 -1.4170 -1.4170 -1.3546 -1.3546 -1.3545 -1.3545 5.9524 5.9524 5.9525 5.9525 6.0200 6.0200 6.0201 6.0201 14.5957 14.5957 14.5957 14.5957 k = 0.0244 0.0422 0.1948 ( 1354 PWs) bands (ev): -24.0079 -24.0079 -24.0079 -24.0079 -10.4085 -10.4085 -10.4085 -10.4085 -3.6665 -3.6665 -3.6665 -3.6665 -1.3982 -1.3982 -1.3981 -1.3981 -1.3485 -1.3485 -1.3485 -1.3485 5.9705 5.9705 5.9706 5.9706 6.0253 6.0253 6.0254 6.0254 14.5786 14.5786 14.5786 14.5786 k = 0.0203 0.0352 0.1948 ( 1352 PWs) bands (ev): -24.0117 -24.0117 -24.0117 -24.0117 -10.4147 -10.4147 -10.4147 -10.4147 -3.6660 -3.6660 -3.6660 -3.6660 -1.3825 -1.3825 -1.3825 -1.3825 -1.3429 -1.3429 -1.3429 -1.3429 5.9852 5.9852 5.9853 5.9853 6.0304 6.0304 6.0304 6.0304 14.5638 14.5638 14.5638 14.5638 k = 0.0163 0.0282 0.1948 ( 1352 PWs) bands (ev): -24.0148 -24.0148 -24.0148 -24.0148 -10.4197 -10.4197 -10.4197 -10.4197 -3.6655 -3.6655 -3.6655 -3.6655 -1.3703 -1.3703 -1.3703 -1.3703 -1.3376 -1.3376 -1.3376 -1.3376 5.9965 5.9965 5.9966 5.9966 6.0353 6.0353 6.0354 6.0354 14.5516 14.5516 14.5516 14.5516 k = 0.0122 0.0211 0.1948 ( 1352 PWs) bands (ev): -24.0173 -24.0173 -24.0173 -24.0173 -10.4236 -10.4236 -10.4236 -10.4236 -3.6652 -3.6652 -3.6652 -3.6652 -1.3615 -1.3615 -1.3615 -1.3615 -1.3327 -1.3327 -1.3327 -1.3327 6.0045 6.0045 6.0046 6.0046 6.0399 6.0399 6.0400 6.0400 14.5419 14.5419 14.5419 14.5419 k = 0.0081 0.0141 0.1948 ( 1352 PWs) bands (ev): -24.0190 -24.0190 -24.0190 -24.0190 -10.4264 -10.4264 -10.4264 -10.4264 -3.6649 -3.6649 -3.6649 -3.6649 -1.3558 -1.3558 -1.3558 -1.3558 -1.3285 -1.3285 -1.3285 -1.3285 6.0098 6.0098 6.0098 6.0098 6.0438 6.0438 6.0438 6.0438 14.5349 14.5349 14.5349 14.5349 k = 0.0041 0.0070 0.1948 ( 1348 PWs) bands (ev): -24.0201 -24.0201 -24.0201 -24.0201 -10.4281 -10.4281 -10.4281 -10.4281 -3.6648 -3.6648 -3.6648 -3.6648 -1.3526 -1.3526 -1.3526 -1.3526 -1.3258 -1.3258 -1.3258 -1.3258 6.0126 6.0126 6.0126 6.0126 6.0464 6.0464 6.0464 6.0464 14.5307 14.5307 14.5307 14.5307 k = 0.0000 0.0000 0.1948 ( 1348 PWs) bands (ev): -24.0204 -24.0204 -24.0204 -24.0204 -10.4287 -10.4287 -10.4287 -10.4287 -3.6647 -3.6647 -3.6647 -3.6647 -1.3516 -1.3516 -1.3516 -1.3516 -1.3248 -1.3248 -1.3248 -1.3248 6.0136 6.0136 6.0136 6.0136 6.0473 6.0473 6.0473 6.0473 14.5293 14.5293 14.5293 14.5293 k = 0.5000 0.2887 0.1948 ( 1376 PWs) bands (ev): -23.2495 -23.2495 -23.2495 -23.2495 -9.0716 -9.0716 -9.0716 -9.0716 -5.0069 -5.0069 -5.0069 -5.0069 -2.8675 -2.8675 -2.8675 -2.8675 -2.0883 -2.0883 -2.0883 -2.0883 3.1187 3.1187 3.1187 3.1187 5.4449 5.4449 5.4449 5.4449 15.8995 15.8995 15.8995 15.8995 k = 0.5000 0.2887 0.1866 ( 1376 PWs) bands (ev): -23.2507 -23.2507 -23.2483 -23.2483 -9.0899 -9.0899 -9.0532 -9.0532 -5.0182 -5.0182 -4.9967 -4.9967 -2.8984 -2.8984 -2.8350 -2.8350 -2.0968 -2.0968 -2.0797 -2.0797 3.0917 3.0917 3.1446 3.1446 5.4239 5.4239 5.4658 5.4658 15.8728 15.8728 15.9293 15.9293 k = 0.5000 0.2887 0.1785 ( 1382 PWs) bands (ev): -23.2520 -23.2520 -23.2471 -23.2471 -9.1077 -9.1077 -9.0344 -9.0344 -5.0305 -5.0305 -4.9879 -4.9879 -2.9274 -2.9274 -2.8011 -2.8011 -2.1052 -2.1052 -2.0712 -2.0712 3.0637 3.0637 3.1693 3.1693 5.4030 5.4030 5.4867 5.4867 15.8490 15.8490 15.9618 15.9618 k = 0.5000 0.2887 0.1704 ( 1386 PWs) bands (ev): -23.2533 -23.2533 -23.2458 -23.2458 -9.1252 -9.1252 -9.0156 -9.0156 -5.0438 -5.0438 -4.9806 -4.9806 -2.9543 -2.9543 -2.7661 -2.7661 -2.1135 -2.1135 -2.0627 -2.0627 3.0349 3.0349 3.1926 3.1926 5.3823 5.3823 5.5074 5.5074 15.8284 15.8284 15.9971 15.9971 k = 0.5000 0.2887 0.1623 ( 1386 PWs) bands (ev): -23.2545 -23.2545 -23.2446 -23.2446 -9.1422 -9.1422 -8.9967 -8.9967 -5.0577 -5.0577 -4.9747 -4.9747 -2.9791 -2.9791 -2.7301 -2.7301 -2.1217 -2.1217 -2.0543 -2.0543 3.0055 3.0055 3.2146 3.2146 5.3618 5.3618 5.5278 5.5278 15.8110 15.8110 16.0348 16.0348 k = 0.5000 0.2887 0.1542 ( 1388 PWs) bands (ev): -23.2557 -23.2557 -23.2434 -23.2434 -9.1586 -9.1586 -8.9778 -8.9778 -5.0722 -5.0722 -4.9704 -4.9704 -3.0015 -3.0015 -2.6935 -2.6935 -2.1297 -2.1297 -2.0460 -2.0460 2.9755 2.9755 3.2351 3.2351 5.3417 5.3417 5.5478 5.5478 15.7967 15.7967 16.0749 16.0749 k = 0.5000 0.2887 0.1461 ( 1388 PWs) bands (ev): -23.2568 -23.2568 -23.2423 -23.2423 -9.1745 -9.1745 -8.9591 -8.9591 -5.0870 -5.0870 -4.9677 -4.9677 -3.0216 -3.0216 -2.6566 -2.6566 -2.1375 -2.1375 -2.0378 -2.0378 2.9453 2.9453 3.2542 3.2542 5.3221 5.3221 5.5675 5.5675 15.7855 15.7855 16.1169 16.1169 k = 0.5000 0.2887 0.1379 ( 1390 PWs) bands (ev): -23.2580 -23.2580 -23.2411 -23.2411 -9.1898 -9.1898 -8.9406 -8.9406 -5.1020 -5.1020 -4.9666 -4.9666 -3.0392 -3.0392 -2.6196 -2.6196 -2.1451 -2.1451 -2.0298 -2.0298 2.9150 2.9150 3.2717 3.2717 5.3029 5.3029 5.5865 5.5865 15.7773 15.7773 16.1607 16.1607 k = 0.5000 0.2887 0.1298 ( 1388 PWs) bands (ev): -23.2591 -23.2591 -23.2400 -23.2400 -9.2044 -9.2044 -8.9223 -8.9223 -5.1170 -5.1170 -4.9670 -4.9670 -3.0545 -3.0545 -2.5828 -2.5828 -2.1523 -2.1523 -2.0221 -2.0221 2.8849 2.8849 3.2877 3.2877 5.2844 5.2844 5.6051 5.6051 15.7719 15.7719 16.2058 16.2058 k = 0.5000 0.2887 0.1217 ( 1388 PWs) bands (ev): -23.2601 -23.2601 -23.2390 -23.2390 -9.2183 -9.2183 -8.9045 -8.9045 -5.1319 -5.1319 -4.9689 -4.9689 -3.0675 -3.0675 -2.5466 -2.5466 -2.1594 -2.1594 -2.0146 -2.0146 2.8550 2.8550 3.3022 3.3022 5.2665 5.2665 5.6229 5.6229 15.7693 15.7693 16.2521 16.2521 k = 0.5000 0.2887 0.1136 ( 1390 PWs) bands (ev): -23.2612 -23.2612 -23.2380 -23.2380 -9.2314 -9.2314 -8.8872 -8.8872 -5.1466 -5.1466 -4.9720 -4.9720 -3.0783 -3.0783 -2.5111 -2.5111 -2.1660 -2.1660 -2.0074 -2.0074 2.8258 2.8258 3.3153 3.3153 5.2494 5.2494 5.6400 5.6400 15.7691 15.7691 16.2989 16.2989 k = 0.5000 0.2887 0.1055 ( 1384 PWs) bands (ev): -23.2621 -23.2621 -23.2370 -23.2370 -9.2438 -9.2438 -8.8704 -8.8704 -5.1608 -5.1608 -4.9762 -4.9762 -3.0870 -3.0870 -2.4767 -2.4767 -2.1724 -2.1724 -2.0005 -2.0005 2.7974 2.7974 3.3270 3.3270 5.2331 5.2331 5.6563 5.6563 15.7711 15.7711 16.3460 16.3460 k = 0.5000 0.2887 0.0974 ( 1376 PWs) bands (ev): -23.2630 -23.2630 -23.2360 -23.2360 -9.2554 -9.2554 -8.8544 -8.8544 -5.1745 -5.1745 -4.9814 -4.9814 -3.0938 -3.0938 -2.4437 -2.4437 -2.1783 -2.1783 -1.9940 -1.9940 2.7699 2.7699 3.3373 3.3373 5.2178 5.2178 5.6715 5.6715 15.7753 15.7753 16.3929 16.3929 k = 0.5000 0.2887 0.0893 ( 1372 PWs) bands (ev): -23.2639 -23.2639 -23.2351 -23.2351 -9.2661 -9.2661 -8.8392 -8.8392 -5.1875 -5.1875 -4.9874 -4.9874 -3.0989 -3.0989 -2.4123 -2.4123 -2.1839 -2.1839 -1.9879 -1.9879 2.7437 2.7437 3.3463 3.3463 5.2034 5.2034 5.6859 5.6859 15.7811 15.7811 16.4392 16.4392 k = 0.5000 0.2887 0.0811 ( 1372 PWs) bands (ev): -23.2646 -23.2646 -23.2343 -23.2343 -9.2760 -9.2760 -8.8249 -8.8249 -5.1997 -5.1997 -4.9938 -4.9938 -3.1026 -3.1026 -2.3827 -2.3827 -2.1890 -2.1890 -1.9822 -1.9822 2.7189 2.7189 3.3541 3.3541 5.1900 5.1900 5.6992 5.6992 15.7880 15.7880 16.4841 16.4841 k = 0.5000 0.2887 0.0730 ( 1374 PWs) bands (ev): -23.2653 -23.2653 -23.2336 -23.2336 -9.2850 -9.2850 -8.8116 -8.8116 -5.2111 -5.2111 -5.0005 -5.0005 -3.1050 -3.1050 -2.3552 -2.3552 -2.1938 -2.1938 -1.9769 -1.9769 2.6958 2.6958 3.3608 3.3608 5.1777 5.1777 5.7112 5.7112 15.7958 15.7958 16.5272 16.5272 k = 0.5000 0.2887 0.0649 ( 1374 PWs) bands (ev): -23.2660 -23.2660 -23.2330 -23.2330 -9.2931 -9.2931 -8.7995 -8.7995 -5.2215 -5.2215 -5.0073 -5.0073 -3.1065 -3.1065 -2.3299 -2.3299 -2.1980 -2.1980 -1.9722 -1.9722 2.6745 2.6745 3.3665 3.3665 5.1666 5.1666 5.7223 5.7223 15.8042 15.8042 16.5681 16.5681 k = 0.5000 0.2887 0.0568 ( 1372 PWs) bands (ev): -23.2666 -23.2666 -23.2324 -23.2324 -9.3003 -9.3003 -8.7885 -8.7885 -5.2309 -5.2309 -5.0138 -5.0138 -3.1071 -3.1071 -2.3072 -2.3072 -2.2018 -2.2018 -1.9679 -1.9679 2.6553 2.6553 3.3713 3.3713 5.1566 5.1566 5.7322 5.7322 15.8128 15.8128 16.6058 16.6058 k = 0.5000 0.2887 0.0487 ( 1372 PWs) bands (ev): -23.2671 -23.2671 -23.2319 -23.2319 -9.3065 -9.3065 -8.7788 -8.7788 -5.2391 -5.2391 -5.0200 -5.0200 -3.1072 -3.1072 -2.2871 -2.2871 -2.2052 -2.2052 -1.9642 -1.9642 2.6382 2.6382 3.3752 3.3752 5.1479 5.1479 5.7408 5.7408 15.8212 15.8212 16.6402 16.6402 k = 0.5000 0.2887 0.0406 ( 1376 PWs) bands (ev): -23.2675 -23.2675 -23.2314 -23.2314 -9.3119 -9.3119 -8.7704 -8.7704 -5.2462 -5.2462 -5.0256 -5.0256 -3.1069 -3.1069 -2.2698 -2.2698 -2.2080 -2.2080 -1.9610 -1.9610 2.6235 2.6235 3.3783 3.3783 5.1405 5.1405 5.7482 5.7482 15.8289 15.8289 16.6703 16.6703 k = 0.5000 0.2887 0.0325 ( 1372 PWs) bands (ev): -23.2679 -23.2679 -23.2311 -23.2311 -9.3162 -9.3162 -8.7635 -8.7635 -5.2521 -5.2521 -5.0304 -5.0304 -3.1064 -3.1064 -2.2554 -2.2554 -2.2103 -2.2103 -1.9583 -1.9583 2.6113 2.6113 3.3808 3.3808 5.1343 5.1343 5.7543 5.7543 15.8360 15.8360 16.6959 16.6959 k = 0.5000 0.2887 0.0243 ( 1368 PWs) bands (ev): -23.2681 -23.2681 -23.2308 -23.2308 -9.3196 -9.3196 -8.7581 -8.7581 -5.2567 -5.2567 -5.0343 -5.0343 -3.1059 -3.1059 -2.2441 -2.2441 -2.2122 -2.2122 -1.9563 -1.9563 2.6017 2.6017 3.3826 3.3826 5.1295 5.1295 5.7590 5.7590 15.8418 15.8418 16.7166 16.7166 k = 0.5000 0.2887 0.0162 ( 1376 PWs) bands (ev): -23.2683 -23.2683 -23.2306 -23.2306 -9.3221 -9.3221 -8.7541 -8.7541 -5.2600 -5.2600 -5.0372 -5.0372 -3.1054 -3.1054 -2.2360 -2.2360 -2.2135 -2.2135 -1.9548 -1.9548 2.5948 2.5948 3.3839 3.3839 5.1261 5.1261 5.7624 5.7624 15.8460 15.8460 16.7315 16.7315 k = 0.5000 0.2887 0.0081 ( 1372 PWs) bands (ev): -23.2684 -23.2684 -23.2304 -23.2304 -9.3235 -9.3235 -8.7518 -8.7518 -5.2620 -5.2620 -5.0389 -5.0389 -3.1051 -3.1051 -2.2311 -2.2311 -2.2143 -2.2143 -1.9539 -1.9539 2.5906 2.5906 3.3847 3.3847 5.1240 5.1240 5.7645 5.7645 15.8486 15.8486 16.7406 16.7406 k = 0.5000 0.2887-0.0000 ( 1372 PWs) bands (ev): -23.2685 -23.2685 -23.2303 -23.2303 -9.3240 -9.3240 -8.7510 -8.7510 -5.2627 -5.2627 -5.0395 -5.0395 -3.1050 -3.1050 -2.2294 -2.2294 -2.2145 -2.2145 -1.9536 -1.9536 2.5892 2.5892 3.3849 3.3849 5.1233 5.1233 5.7652 5.7652 15.8495 15.8495 16.7437 16.7437 k = 0.3333 0.5774-0.0000 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8695 -8.8695 -8.8695 -8.8695 -4.2005 -4.2005 -4.1635 -4.1635 -4.1457 -4.1457 -3.7403 -3.7403 -2.4441 -2.4441 -2.4413 -2.4413 3.2510 3.2510 3.9001 3.9001 3.9268 3.9268 4.5357 4.5357 16.4289 16.4289 16.4306 16.4306 k = 0.3333 0.5774 0.0081 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8695 -8.8695 -8.8695 -8.8695 -4.2001 -4.2001 -4.1627 -4.1627 -4.1449 -4.1449 -3.7408 -3.7408 -2.4451 -2.4451 -2.4423 -2.4423 3.2523 3.2523 3.9007 3.9007 3.9273 3.9273 4.5343 4.5343 16.4275 16.4275 16.4291 16.4291 k = 0.3333 0.5774 0.0162 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8697 -8.8697 -8.8697 -8.8697 -4.1988 -4.1988 -4.1603 -4.1603 -4.1425 -4.1425 -3.7425 -3.7425 -2.4484 -2.4484 -2.4456 -2.4456 3.2564 3.2564 3.9024 3.9024 3.9290 3.9290 4.5300 4.5300 16.4232 16.4232 16.4249 16.4249 k = 0.3333 0.5774 0.0243 ( 1377 PWs) bands (ev): -23.1500 -23.1500 -23.1500 -23.1500 -8.8700 -8.8700 -8.8700 -8.8700 -4.1966 -4.1966 -4.1564 -4.1564 -4.1385 -4.1385 -3.7452 -3.7452 -2.4536 -2.4536 -2.4509 -2.4509 3.2632 3.2632 3.9052 3.9052 3.9318 3.9318 4.5230 4.5230 16.4162 16.4162 16.4178 16.4178 k = 0.3333 0.5774 0.0325 ( 1371 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8704 -8.8704 -8.8703 -8.8703 -4.1935 -4.1935 -4.1509 -4.1509 -4.1330 -4.1330 -3.7491 -3.7491 -2.4610 -2.4610 -2.4583 -2.4583 3.2726 3.2726 3.9091 3.9091 3.9357 3.9357 4.5132 4.5132 16.4066 16.4066 16.4083 16.4083 k = 0.3333 0.5774 0.0406 ( 1365 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8708 -8.8708 -8.8708 -8.8708 -4.1896 -4.1896 -4.1440 -4.1440 -4.1260 -4.1260 -3.7540 -3.7540 -2.4702 -2.4702 -2.4675 -2.4675 3.2847 3.2847 3.9140 3.9140 3.9406 3.9406 4.5007 4.5007 16.3947 16.3947 16.3963 16.3963 k = 0.3333 0.5774 0.0487 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8714 -8.8714 -8.8714 -8.8714 -4.1848 -4.1848 -4.1357 -4.1357 -4.1176 -4.1176 -3.7599 -3.7599 -2.4812 -2.4812 -2.4787 -2.4787 3.2993 3.2993 3.9197 3.9197 3.9464 3.9464 4.4855 4.4855 16.3805 16.3805 16.3821 16.3821 k = 0.3333 0.5774 0.0568 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8720 -8.8720 -8.8720 -8.8720 -4.1792 -4.1792 -4.1261 -4.1261 -4.1079 -4.1079 -3.7668 -3.7668 -2.4940 -2.4940 -2.4915 -2.4915 3.3164 3.3164 3.9263 3.9263 3.9529 3.9529 4.4677 4.4677 16.3644 16.3644 16.3660 16.3660 k = 0.3333 0.5774 0.0649 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8727 -8.8727 -8.8727 -8.8727 -4.1728 -4.1728 -4.1153 -4.1153 -4.0970 -4.0970 -3.7746 -3.7746 -2.5082 -2.5082 -2.5058 -2.5058 3.3360 3.3360 3.9335 3.9335 3.9602 3.9602 4.4474 4.4474 16.3468 16.3468 16.3483 16.3483 k = 0.3333 0.5774 0.0730 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8735 -8.8735 -8.8735 -8.8735 -4.1656 -4.1656 -4.1035 -4.1035 -4.0851 -4.0851 -3.7834 -3.7834 -2.5238 -2.5238 -2.5215 -2.5215 3.3579 3.3579 3.9413 3.9413 3.9680 3.9680 4.4247 4.4247 16.3279 16.3279 16.3294 16.3294 k = 0.3333 0.5774 0.0811 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8743 -8.8743 -8.8743 -8.8743 -4.1576 -4.1576 -4.0908 -4.0908 -4.0722 -4.0722 -3.7930 -3.7930 -2.5404 -2.5404 -2.5382 -2.5382 3.3821 3.3821 3.9496 3.9496 3.9763 3.9763 4.3998 4.3998 16.3081 16.3081 16.3096 16.3096 k = 0.3333 0.5774 0.0893 ( 1368 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8751 -8.8751 -8.8751 -8.8751 -4.1489 -4.1489 -4.0773 -4.0773 -4.0587 -4.0587 -3.8034 -3.8034 -2.5579 -2.5579 -2.5559 -2.5559 3.4084 3.4084 3.9581 3.9581 3.9848 3.9848 4.3726 4.3726 16.2878 16.2878 16.2892 16.2892 k = 0.3333 0.5774 0.0974 ( 1368 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8760 -8.8760 -8.8759 -8.8759 -4.1394 -4.1394 -4.0634 -4.0634 -4.0446 -4.0446 -3.8145 -3.8145 -2.5759 -2.5759 -2.5741 -2.5741 3.4367 3.4367 3.9667 3.9667 3.9935 3.9935 4.3434 4.3434 16.2674 16.2674 16.2687 16.2687 k = 0.3333 0.5774 0.1055 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8768 -8.8768 -8.8768 -8.8768 -4.1293 -4.1293 -4.0491 -4.0491 -4.0301 -4.0301 -3.8264 -3.8264 -2.5943 -2.5943 -2.5926 -2.5926 3.4671 3.4671 3.9754 3.9754 4.0022 4.0022 4.3122 4.3122 16.2471 16.2471 16.2484 16.2484 k = 0.3333 0.5774 0.1136 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8776 -8.8776 -8.8776 -8.8776 -4.1185 -4.1185 -4.0347 -4.0347 -4.0155 -4.0155 -3.8388 -3.8388 -2.6126 -2.6126 -2.6111 -2.6111 3.4992 3.4992 3.9839 3.9839 4.0107 4.0107 4.2793 4.2793 16.2274 16.2274 16.2286 16.2286 k = 0.3333 0.5774 0.1217 ( 1365 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8784 -8.8784 -8.8784 -8.8784 -4.1071 -4.1071 -4.0205 -4.0205 -4.0012 -4.0012 -3.8518 -3.8518 -2.6307 -2.6307 -2.6293 -2.6293 3.5329 3.5329 3.9921 3.9921 4.0189 4.0189 4.2448 4.2448 16.2084 16.2084 16.2096 16.2096 k = 0.3333 0.5774 0.1298 ( 1365 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8792 -8.8792 -8.8791 -8.8791 -4.0952 -4.0952 -4.0067 -4.0067 -3.9872 -3.9872 -3.8653 -3.8653 -2.6481 -2.6481 -2.6470 -2.6470 3.5681 3.5681 3.9998 3.9998 4.0266 4.0266 4.2088 4.2088 16.1907 16.1907 16.1919 16.1919 k = 0.3333 0.5774 0.1379 ( 1356 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8799 -8.8799 -8.8798 -8.8798 -4.0827 -4.0827 -3.9936 -3.9936 -3.9739 -3.9739 -3.8792 -3.8792 -2.6645 -2.6645 -2.6635 -2.6635 3.6047 3.6047 4.0070 4.0070 4.0338 4.0338 4.1715 4.1715 16.1744 16.1744 16.1755 16.1755 k = 0.3333 0.5774 0.1461 ( 1362 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8805 -8.8805 -8.8805 -8.8805 -4.0698 -4.0698 -3.9816 -3.9816 -3.9617 -3.9617 -3.8934 -3.8934 -2.6797 -2.6797 -2.6789 -2.6789 3.6425 3.6425 4.0135 4.0135 4.0402 4.0402 4.1330 4.1330 16.1595 16.1595 16.1606 16.1606 k = 0.3333 0.5774 0.1542 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8811 -8.8811 -8.8810 -8.8810 -4.0564 -4.0564 -3.9708 -3.9708 -3.9507 -3.9507 -3.9079 -3.9079 -2.6932 -2.6932 -2.6925 -2.6925 3.6814 3.6814 4.0191 4.0191 4.0459 4.0459 4.0936 4.0936 16.1467 16.1467 16.1478 16.1478 k = 0.3333 0.5774 0.1623 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8816 -8.8816 -8.8815 -8.8815 -4.0427 -4.0427 -3.9615 -3.9615 -3.9413 -3.9413 -3.9226 -3.9226 -2.7047 -2.7047 -2.7042 -2.7042 3.7211 3.7211 4.0239 4.0239 4.0496 4.0496 4.0544 4.0544 16.1359 16.1359 16.1370 16.1370 k = 0.3333 0.5774 0.1704 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8819 -8.8819 -8.8818 -8.8818 -4.0288 -4.0288 -3.9540 -3.9540 -3.9372 -3.9372 -3.9336 -3.9336 -2.7140 -2.7140 -2.7136 -2.7136 3.7615 3.7615 4.0124 4.0124 4.0277 4.0277 4.0546 4.0546 16.1274 16.1274 16.1284 16.1284 k = 0.3333 0.5774 0.1785 ( 1371 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8822 -8.8822 -8.8821 -8.8821 -4.0148 -4.0148 -3.9517 -3.9517 -3.9484 -3.9484 -3.9280 -3.9280 -2.7207 -2.7207 -2.7205 -2.7205 3.8024 3.8024 3.9713 3.9713 4.0305 4.0305 4.0574 4.0574 16.1212 16.1212 16.1222 16.1222 k = 0.3333 0.5774 0.1866 ( 1371 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8824 -8.8824 -8.8823 -8.8823 -4.0016 -4.0016 -3.9653 -3.9653 -3.9451 -3.9451 -3.9246 -3.9246 -2.7249 -2.7249 -2.7247 -2.7247 3.8429 3.8429 3.9306 3.9306 4.0321 4.0321 4.0590 4.0590 16.1175 16.1175 16.1185 16.1185 k = 0.3333 0.5774 0.1948 ( 1374 PWs) bands (ev): -23.1499 -23.1499 -23.1499 -23.1499 -8.8824 -8.8824 -8.8823 -8.8823 -3.9937 -3.9937 -3.9733 -3.9733 -3.9439 -3.9439 -3.9234 -3.9234 -2.7263 -2.7263 -2.7261 -2.7261 3.8735 3.8735 3.9000 3.9000 4.0327 4.0327 4.0596 4.0596 16.1161 16.1161 16.1171 16.1171 Writing output data file O2.save init_run : 0.04s CPU 0.18s WALL ( 1 calls) electrons : 61.22s CPU 62.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 61.22s CPU 62.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 469 calls) cegterg : 57.64s CPU 59.05s WALL ( 611 calls) Called by sum_band: Called by *egterg: h_psi : 24.36s CPU 24.98s WALL ( 10596 calls) s_psi : 0.54s CPU 0.62s WALL ( 10596 calls) g_psi : 0.03s CPU 0.06s WALL ( 9516 calls) cdiaghg : 31.01s CPU 31.50s WALL ( 9985 calls) cegterg:over : 1.79s CPU 1.86s WALL ( 9516 calls) cegterg:upda : 1.28s CPU 1.32s WALL ( 9516 calls) cegterg:last : 0.78s CPU 0.76s WALL ( 1549 calls) cdiaghg:chol : 1.63s CPU 1.56s WALL ( 9985 calls) cdiaghg:inve : 0.61s CPU 0.61s WALL ( 9985 calls) cdiaghg:para : 1.80s CPU 1.96s WALL ( 19970 calls) Called by h_psi: h_psi:vloc : 22.38s CPU 23.05s WALL ( 10596 calls) h_psi:vnl : 1.94s CPU 1.88s WALL ( 10596 calls) add_vuspsi : 0.80s CPU 0.76s WALL ( 10596 calls) General routines calbec : 1.11s CPU 1.09s WALL ( 10596 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 21.10s CPU 21.80s WALL ( 597904 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 938 calls) Parallel routines fft_scatter : 10.64s CPU 11.12s WALL ( 597927 calls) PWSCF : 1m10.36s CPU 1m29.98s WALL This run was terminated on: 21: 2:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=