Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 0:17 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: ./BaO.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 16 5 1296 564 93 Max 29 17 6 1307 587 99 Sum 1039 595 187 46921 20733 3455 bravais-lattice index = 14 lattice parameter (alat) = 6.8312 a.u. unit-cell volume = 476.4232 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 6.831170 celldm(2)= 1.000000 celldm(3)= 1.725746 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.725746 ) 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 0.579459 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) 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 ) ( -0.8628731 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8628731 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8628731 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8628731 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8628731 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8628731 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8628731 ) 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= 363 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027548 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027548 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027548 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027548 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027548 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027548 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027548 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027548 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027548 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027548 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027548 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027548 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027548 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027548 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027548 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027548 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027548 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027548 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027548 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027548 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027548 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027548 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027548 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027548 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027548 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027548 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027548 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027548 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027548 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027548 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027548 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027548 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027548 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027548 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027548 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027548 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027548 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027548 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027548 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027548 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027548 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 54) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0027548 k( 55) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0027548 k( 56) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0027548 k( 57) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0027548 k( 58) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0027548 k( 59) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0027548 k( 60) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0027548 k( 61) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0027548 k( 62) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0027548 k( 63) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0027548 k( 64) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0027548 k( 65) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0027548 k( 66) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0027548 k( 67) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0027548 k( 68) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0027548 k( 69) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0027548 k( 70) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0027548 k( 71) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0027548 k( 72) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0027548 k( 73) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0027548 k( 74) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0027548 k( 77) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0027548 k( 78) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0027548 k( 79) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0027548 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 84) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0027548 k( 85) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0027548 k( 86) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0027548 k( 87) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0027548 k( 88) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0027548 k( 89) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0027548 k( 90) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0027548 k( 91) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0027548 k( 92) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0027548 k( 93) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0027548 k( 94) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0027548 k( 95) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0027548 k( 96) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0027548 k( 97) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0027548 k( 98) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0027548 k( 99) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0027548 k( 100) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0027548 k( 101) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0027548 k( 102) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0027548 k( 103) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0027548 k( 104) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0027548 k( 105) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0027548 k( 106) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0027548 k( 107) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0027548 k( 108) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0027548 k( 109) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0027548 k( 110) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0027548 k( 111) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0027548 k( 112) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0027548 k( 113) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0027548 k( 114) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0027548 k( 115) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0027548 k( 116) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0027548 k( 117) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0027548 k( 118) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0027548 k( 119) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0027548 k( 120) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0027548 k( 121) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0027548 k( 122) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0027548 k( 123) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0027548 k( 125) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0027548 k( 126) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0027548 k( 127) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0027548 k( 128) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0027548 k( 129) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0027548 k( 130) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0027548 k( 131) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0027548 k( 132) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0027548 k( 133) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0027548 k( 134) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0027548 k( 135) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0027548 k( 136) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0027548 k( 137) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0027548 k( 138) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0027548 k( 139) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0027548 k( 140) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.0111435), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.0222869), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.0334304), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.0445738), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.0557173), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.0668607), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.0780042), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.0891476), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.1002911), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.1114345), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.1225780), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.1337214), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.1448649), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.1560083), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.1671518), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.1782952), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.1894387), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.2005821), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.2117256), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.2228690), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.2340125), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.2451559), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.2562994), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.2674428), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.2785863), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.2897297), wk = 0.0027548 k( 169) = ( 0.0000000 0.0000000 0.2897297), wk = 0.0027548 k( 170) = ( 0.0098039 0.0056603 0.2897297), wk = 0.0027548 k( 171) = ( 0.0196078 0.0113206 0.2897297), wk = 0.0027548 k( 172) = ( 0.0294118 0.0169809 0.2897297), wk = 0.0027548 k( 173) = ( 0.0392157 0.0226412 0.2897297), wk = 0.0027548 k( 174) = ( 0.0490196 0.0283015 0.2897297), wk = 0.0027548 k( 175) = ( 0.0588235 0.0339618 0.2897297), wk = 0.0027548 k( 176) = ( 0.0686275 0.0396221 0.2897297), wk = 0.0027548 k( 177) = ( 0.0784314 0.0452824 0.2897297), wk = 0.0027548 k( 178) = ( 0.0882353 0.0509427 0.2897297), wk = 0.0027548 k( 179) = ( 0.0980392 0.0566030 0.2897297), wk = 0.0027548 k( 180) = ( 0.1078431 0.0622633 0.2897297), wk = 0.0027548 k( 181) = ( 0.1176471 0.0679236 0.2897297), wk = 0.0027548 k( 182) = ( 0.1274510 0.0735839 0.2897297), wk = 0.0027548 k( 183) = ( 0.1372549 0.0792442 0.2897297), wk = 0.0027548 k( 184) = ( 0.1470588 0.0849044 0.2897297), wk = 0.0027548 k( 185) = ( 0.1568627 0.0905648 0.2897297), wk = 0.0027548 k( 186) = ( 0.1666667 0.0962250 0.2897297), wk = 0.0027548 k( 187) = ( 0.1764706 0.1018853 0.2897297), wk = 0.0027548 k( 188) = ( 0.1862745 0.1075456 0.2897297), wk = 0.0027548 k( 189) = ( 0.1960784 0.1132059 0.2897297), wk = 0.0027548 k( 190) = ( 0.2058823 0.1188662 0.2897297), wk = 0.0027548 k( 191) = ( 0.2156863 0.1245265 0.2897297), wk = 0.0027548 k( 192) = ( 0.2254902 0.1301868 0.2897297), wk = 0.0027548 k( 193) = ( 0.2352941 0.1358471 0.2897297), wk = 0.0027548 k( 194) = ( 0.2450980 0.1415074 0.2897297), wk = 0.0027548 k( 195) = ( 0.2549020 0.1471677 0.2897297), wk = 0.0027548 k( 196) = ( 0.2647059 0.1528280 0.2897297), wk = 0.0027548 k( 197) = ( 0.2745098 0.1584883 0.2897297), wk = 0.0027548 k( 198) = ( 0.2843137 0.1641486 0.2897297), wk = 0.0027548 k( 199) = ( 0.2941177 0.1698089 0.2897297), wk = 0.0027548 k( 200) = ( 0.3039216 0.1754692 0.2897297), wk = 0.0027548 k( 201) = ( 0.3137255 0.1811295 0.2897297), wk = 0.0027548 k( 202) = ( 0.3235294 0.1867898 0.2897297), wk = 0.0027548 k( 203) = ( 0.3333333 0.1924501 0.2897297), wk = 0.0027548 k( 204) = ( 0.3431373 0.1981104 0.2897297), wk = 0.0027548 k( 205) = ( 0.3529412 0.2037707 0.2897297), wk = 0.0027548 k( 206) = ( 0.3627451 0.2094310 0.2897297), wk = 0.0027548 k( 207) = ( 0.3725490 0.2150913 0.2897297), wk = 0.0027548 k( 208) = ( 0.3823529 0.2207516 0.2897297), wk = 0.0027548 k( 209) = ( 0.3921569 0.2264119 0.2897297), wk = 0.0027548 k( 210) = ( 0.4019608 0.2320722 0.2897297), wk = 0.0027548 k( 211) = ( 0.4117647 0.2377325 0.2897297), wk = 0.0027548 k( 212) = ( 0.4215686 0.2433928 0.2897297), wk = 0.0027548 k( 213) = ( 0.4313726 0.2490531 0.2897297), wk = 0.0027548 k( 214) = ( 0.4411765 0.2547134 0.2897297), wk = 0.0027548 k( 215) = ( 0.4509804 0.2603736 0.2897297), wk = 0.0027548 k( 216) = ( 0.4607843 0.2660339 0.2897297), wk = 0.0027548 k( 217) = ( 0.4705882 0.2716942 0.2897297), wk = 0.0027548 k( 218) = ( 0.4803922 0.2773545 0.2897297), wk = 0.0027548 k( 219) = ( 0.4901961 0.2830148 0.2897297), wk = 0.0027548 k( 220) = ( 0.5000000 0.2886751 0.2897297), wk = 0.0027548 k( 221) = ( 0.5000000 0.2886751 0.2897297), wk = 0.0027548 k( 222) = ( 0.4942529 0.2986294 0.2897297), wk = 0.0027548 k( 223) = ( 0.4885058 0.3085838 0.2897297), wk = 0.0027548 k( 224) = ( 0.4827586 0.3185381 0.2897297), wk = 0.0027548 k( 225) = ( 0.4770115 0.3284924 0.2897297), wk = 0.0027548 k( 226) = ( 0.4712644 0.3384467 0.2897297), wk = 0.0027548 k( 227) = ( 0.4655172 0.3484010 0.2897297), wk = 0.0027548 k( 228) = ( 0.4597701 0.3583553 0.2897297), wk = 0.0027548 k( 229) = ( 0.4540230 0.3683097 0.2897297), wk = 0.0027548 k( 230) = ( 0.4482759 0.3782640 0.2897297), wk = 0.0027548 k( 231) = ( 0.4425287 0.3882183 0.2897297), wk = 0.0027548 k( 232) = ( 0.4367816 0.3981726 0.2897297), wk = 0.0027548 k( 233) = ( 0.4310345 0.4081269 0.2897297), wk = 0.0027548 k( 234) = ( 0.4252874 0.4180812 0.2897297), wk = 0.0027548 k( 235) = ( 0.4195402 0.4280355 0.2897297), wk = 0.0027548 k( 236) = ( 0.4137931 0.4379899 0.2897297), wk = 0.0027548 k( 237) = ( 0.4080460 0.4479442 0.2897297), wk = 0.0027548 k( 238) = ( 0.4022988 0.4578985 0.2897297), wk = 0.0027548 k( 239) = ( 0.3965517 0.4678528 0.2897297), wk = 0.0027548 k( 240) = ( 0.3908046 0.4778071 0.2897297), wk = 0.0027548 k( 241) = ( 0.3850575 0.4877614 0.2897297), wk = 0.0027548 k( 242) = ( 0.3793103 0.4977157 0.2897297), wk = 0.0027548 k( 243) = ( 0.3735632 0.5076701 0.2897297), wk = 0.0027548 k( 244) = ( 0.3678161 0.5176244 0.2897297), wk = 0.0027548 k( 245) = ( 0.3620690 0.5275787 0.2897297), wk = 0.0027548 k( 246) = ( 0.3563218 0.5375330 0.2897297), wk = 0.0027548 k( 247) = ( 0.3505747 0.5474873 0.2897297), wk = 0.0027548 k( 248) = ( 0.3448276 0.5574416 0.2897297), wk = 0.0027548 k( 249) = ( 0.3390805 0.5673960 0.2897297), wk = 0.0027548 k( 250) = ( 0.3333333 0.5773503 0.2897297), wk = 0.0027548 k( 251) = ( 0.3333333 0.5773503 0.2897297), wk = 0.0027548 k( 252) = ( 0.3275862 0.5673960 0.2897297), wk = 0.0027548 k( 253) = ( 0.3218391 0.5574416 0.2897297), wk = 0.0027548 k( 254) = ( 0.3160920 0.5474873 0.2897297), wk = 0.0027548 k( 255) = ( 0.3103448 0.5375330 0.2897297), wk = 0.0027548 k( 256) = ( 0.3045977 0.5275787 0.2897297), wk = 0.0027548 k( 257) = ( 0.2988506 0.5176244 0.2897297), wk = 0.0027548 k( 258) = ( 0.2931034 0.5076701 0.2897297), wk = 0.0027548 k( 259) = ( 0.2873563 0.4977157 0.2897297), wk = 0.0027548 k( 260) = ( 0.2816092 0.4877614 0.2897297), wk = 0.0027548 k( 261) = ( 0.2758621 0.4778071 0.2897297), wk = 0.0027548 k( 262) = ( 0.2701149 0.4678528 0.2897297), wk = 0.0027548 k( 263) = ( 0.2643678 0.4578985 0.2897297), wk = 0.0027548 k( 264) = ( 0.2586207 0.4479442 0.2897297), wk = 0.0027548 k( 265) = ( 0.2528736 0.4379899 0.2897297), wk = 0.0027548 k( 266) = ( 0.2471264 0.4280355 0.2897297), wk = 0.0027548 k( 267) = ( 0.2413793 0.4180812 0.2897297), wk = 0.0027548 k( 268) = ( 0.2356322 0.4081269 0.2897297), wk = 0.0027548 k( 269) = ( 0.2298851 0.3981726 0.2897297), wk = 0.0027548 k( 270) = ( 0.2241379 0.3882183 0.2897297), wk = 0.0027548 k( 271) = ( 0.2183908 0.3782640 0.2897297), wk = 0.0027548 k( 272) = ( 0.2126437 0.3683097 0.2897297), wk = 0.0027548 k( 273) = ( 0.2068966 0.3583553 0.2897297), wk = 0.0027548 k( 274) = ( 0.2011494 0.3484010 0.2897297), wk = 0.0027548 k( 275) = ( 0.1954023 0.3384467 0.2897297), wk = 0.0027548 k( 276) = ( 0.1896552 0.3284924 0.2897297), wk = 0.0027548 k( 277) = ( 0.1839080 0.3185381 0.2897297), wk = 0.0027548 k( 278) = ( 0.1781609 0.3085838 0.2897297), wk = 0.0027548 k( 279) = ( 0.1724138 0.2986294 0.2897297), wk = 0.0027548 k( 280) = ( 0.1666667 0.2886751 0.2897297), wk = 0.0027548 k( 281) = ( 0.1609195 0.2787208 0.2897297), wk = 0.0027548 k( 282) = ( 0.1551724 0.2687665 0.2897297), wk = 0.0027548 k( 283) = ( 0.1494253 0.2588122 0.2897297), wk = 0.0027548 k( 284) = ( 0.1436782 0.2488579 0.2897297), wk = 0.0027548 k( 285) = ( 0.1379310 0.2389036 0.2897297), wk = 0.0027548 k( 286) = ( 0.1321839 0.2289492 0.2897297), wk = 0.0027548 k( 287) = ( 0.1264368 0.2189949 0.2897297), wk = 0.0027548 k( 288) = ( 0.1206897 0.2090406 0.2897297), wk = 0.0027548 k( 289) = ( 0.1149425 0.1990863 0.2897297), wk = 0.0027548 k( 290) = ( 0.1091954 0.1891320 0.2897297), wk = 0.0027548 k( 291) = ( 0.1034483 0.1791777 0.2897297), wk = 0.0027548 k( 292) = ( 0.0977012 0.1692234 0.2897297), wk = 0.0027548 k( 293) = ( 0.0919540 0.1592690 0.2897297), wk = 0.0027548 k( 294) = ( 0.0862069 0.1493147 0.2897297), wk = 0.0027548 k( 295) = ( 0.0804598 0.1393604 0.2897297), wk = 0.0027548 k( 296) = ( 0.0747126 0.1294061 0.2897297), wk = 0.0027548 k( 297) = ( 0.0689655 0.1194518 0.2897297), wk = 0.0027548 k( 298) = ( 0.0632184 0.1094975 0.2897297), wk = 0.0027548 k( 299) = ( 0.0574713 0.0995431 0.2897297), wk = 0.0027548 k( 300) = ( 0.0517241 0.0895888 0.2897297), wk = 0.0027548 k( 301) = ( 0.0459770 0.0796345 0.2897297), wk = 0.0027548 k( 302) = ( 0.0402299 0.0696802 0.2897297), wk = 0.0027548 k( 303) = ( 0.0344828 0.0597259 0.2897297), wk = 0.0027548 k( 304) = ( 0.0287356 0.0497716 0.2897297), wk = 0.0027548 k( 305) = ( 0.0229885 0.0398173 0.2897297), wk = 0.0027548 k( 306) = ( 0.0172414 0.0298629 0.2897297), wk = 0.0027548 k( 307) = ( 0.0114942 0.0199086 0.2897297), wk = 0.0027548 k( 308) = ( 0.0057471 0.0099543 0.2897297), wk = 0.0027548 k( 309) = ( 0.0000000 0.0000000 0.2897297), wk = 0.0027548 k( 310) = ( 0.5000000 0.2886751 0.2897297), wk = 0.0027548 k( 311) = ( 0.5000000 0.2886751 0.2785863), wk = 0.0027548 k( 312) = ( 0.5000000 0.2886751 0.2674428), wk = 0.0027548 k( 313) = ( 0.5000000 0.2886751 0.2562994), wk = 0.0027548 k( 314) = ( 0.5000000 0.2886751 0.2451559), wk = 0.0027548 k( 315) = ( 0.5000000 0.2886751 0.2340125), wk = 0.0027548 k( 316) = ( 0.5000000 0.2886751 0.2228690), wk = 0.0027548 k( 317) = ( 0.5000000 0.2886751 0.2117256), wk = 0.0027548 k( 318) = ( 0.5000000 0.2886751 0.2005821), wk = 0.0027548 k( 319) = ( 0.5000000 0.2886751 0.1894387), wk = 0.0027548 k( 320) = ( 0.5000000 0.2886751 0.1782952), wk = 0.0027548 k( 321) = ( 0.5000000 0.2886751 0.1671518), wk = 0.0027548 k( 322) = ( 0.5000000 0.2886751 0.1560083), wk = 0.0027548 k( 323) = ( 0.5000000 0.2886751 0.1448649), wk = 0.0027548 k( 324) = ( 0.5000000 0.2886751 0.1337214), wk = 0.0027548 k( 325) = ( 0.5000000 0.2886751 0.1225780), wk = 0.0027548 k( 326) = ( 0.5000000 0.2886751 0.1114345), wk = 0.0027548 k( 327) = ( 0.5000000 0.2886751 0.1002911), wk = 0.0027548 k( 328) = ( 0.5000000 0.2886751 0.0891476), wk = 0.0027548 k( 329) = ( 0.5000000 0.2886751 0.0780042), wk = 0.0027548 k( 330) = ( 0.5000000 0.2886751 0.0668607), wk = 0.0027548 k( 331) = ( 0.5000000 0.2886751 0.0557173), wk = 0.0027548 k( 332) = ( 0.5000000 0.2886751 0.0445738), wk = 0.0027548 k( 333) = ( 0.5000000 0.2886751 0.0334304), wk = 0.0027548 k( 334) = ( 0.5000000 0.2886751 0.0222869), wk = 0.0027548 k( 335) = ( 0.5000000 0.2886751 0.0111435), wk = 0.0027548 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027548 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027548 k( 338) = ( 0.3333333 0.5773503 0.0111435), wk = 0.0027548 k( 339) = ( 0.3333333 0.5773503 0.0222869), wk = 0.0027548 k( 340) = ( 0.3333333 0.5773503 0.0334304), wk = 0.0027548 k( 341) = ( 0.3333333 0.5773503 0.0445738), wk = 0.0027548 k( 342) = ( 0.3333333 0.5773503 0.0557173), wk = 0.0027548 k( 343) = ( 0.3333333 0.5773503 0.0668607), wk = 0.0027548 k( 344) = ( 0.3333333 0.5773503 0.0780042), wk = 0.0027548 k( 345) = ( 0.3333333 0.5773503 0.0891476), wk = 0.0027548 k( 346) = ( 0.3333333 0.5773503 0.1002911), wk = 0.0027548 k( 347) = ( 0.3333333 0.5773503 0.1114345), wk = 0.0027548 k( 348) = ( 0.3333333 0.5773503 0.1225780), wk = 0.0027548 k( 349) = ( 0.3333333 0.5773503 0.1337214), wk = 0.0027548 k( 350) = ( 0.3333333 0.5773503 0.1448649), wk = 0.0027548 k( 351) = ( 0.3333333 0.5773503 0.1560083), wk = 0.0027548 k( 352) = ( 0.3333333 0.5773503 0.1671518), wk = 0.0027548 k( 353) = ( 0.3333333 0.5773503 0.1782952), wk = 0.0027548 k( 354) = ( 0.3333333 0.5773503 0.1894387), wk = 0.0027548 k( 355) = ( 0.3333333 0.5773503 0.2005821), wk = 0.0027548 k( 356) = ( 0.3333333 0.5773503 0.2117256), wk = 0.0027548 k( 357) = ( 0.3333333 0.5773503 0.2228690), wk = 0.0027548 k( 358) = ( 0.3333333 0.5773503 0.2340125), wk = 0.0027548 k( 359) = ( 0.3333333 0.5773503 0.2451559), wk = 0.0027548 k( 360) = ( 0.3333333 0.5773503 0.2562994), wk = 0.0027548 k( 361) = ( 0.3333333 0.5773503 0.2674428), wk = 0.0027548 k( 362) = ( 0.3333333 0.5773503 0.2785863), wk = 0.0027548 k( 363) = ( 0.3333333 0.5773503 0.2897297), wk = 0.0027548 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 2) = ( 0.0098039 0.0000000 -0.0000000), wk = 0.0027548 k( 3) = ( 0.0196078 0.0000000 -0.0000000), wk = 0.0027548 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0027548 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0027548 k( 6) = ( 0.0490196 0.0000000 -0.0000000), wk = 0.0027548 k( 7) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0027548 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0027548 k( 9) = ( 0.0784314 0.0000000 -0.0000000), wk = 0.0027548 k( 10) = ( 0.0882353 0.0000000 -0.0000000), wk = 0.0027548 k( 11) = ( 0.0980392 0.0000000 -0.0000000), wk = 0.0027548 k( 12) = ( 0.1078431 0.0000000 -0.0000000), wk = 0.0027548 k( 13) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0027548 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0027548 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0027548 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0027548 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0027548 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0027548 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0027548 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0027548 k( 21) = ( 0.1960784 0.0000000 -0.0000000), wk = 0.0027548 k( 22) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0027548 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0027548 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0027548 k( 25) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0027548 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0027548 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0027548 k( 28) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0027548 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0027548 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0027548 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0027548 k( 32) = ( 0.3039216 0.0000000 0.0000000), wk = 0.0027548 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0027548 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0027548 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0027548 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0027548 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0027548 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0027548 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0027548 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0027548 k( 41) = ( 0.3921569 0.0000000 -0.0000000), wk = 0.0027548 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0027548 k( 43) = ( 0.4117647 0.0000000 -0.0000000), wk = 0.0027548 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0027548 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0027548 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0027548 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0027548 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0027548 k( 49) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0027548 k( 50) = ( 0.4803922 0.0000000 -0.0000000), wk = 0.0027548 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0027548 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 54) = ( 0.4942529 0.0114943 0.0000000), wk = 0.0027548 k( 55) = ( 0.4885058 0.0229885 0.0000000), wk = 0.0027548 k( 56) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0027548 k( 57) = ( 0.4770115 0.0459770 -0.0000000), wk = 0.0027548 k( 58) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0027548 k( 59) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0027548 k( 60) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0027548 k( 61) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0027548 k( 62) = ( 0.4482759 0.1034483 -0.0000000), wk = 0.0027548 k( 63) = ( 0.4425287 0.1149425 -0.0000000), wk = 0.0027548 k( 64) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0027548 k( 65) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0027548 k( 66) = ( 0.4252874 0.1494253 0.0000000), wk = 0.0027548 k( 67) = ( 0.4195402 0.1609195 -0.0000000), wk = 0.0027548 k( 68) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0027548 k( 69) = ( 0.4080460 0.1839081 0.0000000), wk = 0.0027548 k( 70) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0027548 k( 71) = ( 0.3965517 0.2068966 0.0000000), wk = 0.0027548 k( 72) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0027548 k( 73) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0027548 k( 74) = ( 0.3793103 0.2413793 -0.0000000), wk = 0.0027548 k( 75) = ( 0.3735632 0.2528736 -0.0000000), wk = 0.0027548 k( 76) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0027548 k( 77) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0027548 k( 78) = ( 0.3563218 0.2873563 0.0000000), wk = 0.0027548 k( 79) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0027548 k( 80) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0027548 k( 81) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0027548 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 84) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0027548 k( 85) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0027548 k( 86) = ( 0.3160920 0.3160920 0.0000000), wk = 0.0027548 k( 87) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0027548 k( 88) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0027548 k( 89) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0027548 k( 90) = ( 0.2931034 0.2931034 0.0000000), wk = 0.0027548 k( 91) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0027548 k( 92) = ( 0.2816092 0.2816092 0.0000000), wk = 0.0027548 k( 93) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0027548 k( 94) = ( 0.2701149 0.2701149 0.0000000), wk = 0.0027548 k( 95) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0027548 k( 96) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0027548 k( 97) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0027548 k( 98) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0027548 k( 99) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0027548 k( 100) = ( 0.2356322 0.2356322 0.0000000), wk = 0.0027548 k( 101) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0027548 k( 102) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0027548 k( 103) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0027548 k( 104) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0027548 k( 105) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0027548 k( 106) = ( 0.2011494 0.2011494 0.0000000), wk = 0.0027548 k( 107) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0027548 k( 108) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0027548 k( 109) = ( 0.1839080 0.1839081 0.0000000), wk = 0.0027548 k( 110) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0027548 k( 111) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0027548 k( 112) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027548 k( 113) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0027548 k( 114) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0027548 k( 115) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0027548 k( 116) = ( 0.1436782 0.1436782 0.0000000), wk = 0.0027548 k( 117) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0027548 k( 118) = ( 0.1321839 0.1321839 0.0000000), wk = 0.0027548 k( 119) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0027548 k( 120) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0027548 k( 121) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0027548 k( 122) = ( 0.1091954 0.1091954 0.0000000), wk = 0.0027548 k( 123) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0027548 k( 124) = ( 0.0977012 0.0977012 0.0000000), wk = 0.0027548 k( 125) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0027548 k( 126) = ( 0.0862069 0.0862069 0.0000000), wk = 0.0027548 k( 127) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0027548 k( 128) = ( 0.0747126 0.0747126 0.0000000), wk = 0.0027548 k( 129) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0027548 k( 130) = ( 0.0632184 0.0632184 0.0000000), wk = 0.0027548 k( 131) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0027548 k( 132) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0027548 k( 133) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0027548 k( 134) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0027548 k( 135) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0027548 k( 136) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0027548 k( 137) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0027548 k( 138) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0027548 k( 139) = ( 0.0114942 0.0114943 0.0000000), wk = 0.0027548 k( 140) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0027548 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027548 k( 143) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0027548 k( 144) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0027548 k( 145) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0027548 k( 146) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0027548 k( 147) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0027548 k( 148) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0027548 k( 149) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0027548 k( 150) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0027548 k( 151) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0027548 k( 152) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0027548 k( 153) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0027548 k( 154) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0027548 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027548 k( 156) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0027548 k( 157) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0027548 k( 158) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0027548 k( 159) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0027548 k( 160) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0027548 k( 161) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0027548 k( 162) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0027548 k( 163) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0027548 k( 164) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0027548 k( 165) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0027548 k( 166) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0027548 k( 167) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0027548 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 170) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0027548 k( 171) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0027548 k( 172) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0027548 k( 173) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0027548 k( 174) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0027548 k( 175) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0027548 k( 176) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0027548 k( 177) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0027548 k( 178) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0027548 k( 179) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0027548 k( 180) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0027548 k( 181) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0027548 k( 182) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0027548 k( 183) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0027548 k( 184) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0027548 k( 185) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0027548 k( 186) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027548 k( 187) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0027548 k( 188) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0027548 k( 189) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0027548 k( 190) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0027548 k( 191) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0027548 k( 192) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0027548 k( 193) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0027548 k( 194) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0027548 k( 195) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0027548 k( 196) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0027548 k( 197) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0027548 k( 198) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0027548 k( 199) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0027548 k( 200) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0027548 k( 201) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0027548 k( 202) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0027548 k( 203) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027548 k( 204) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0027548 k( 205) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0027548 k( 206) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0027548 k( 207) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0027548 k( 208) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0027548 k( 209) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0027548 k( 210) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0027548 k( 211) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0027548 k( 212) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0027548 k( 213) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0027548 k( 214) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0027548 k( 215) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0027548 k( 216) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0027548 k( 217) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0027548 k( 218) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0027548 k( 219) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0027548 k( 220) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 222) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0027548 k( 223) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0027548 k( 224) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0027548 k( 225) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0027548 k( 226) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0027548 k( 227) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0027548 k( 228) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0027548 k( 229) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0027548 k( 230) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0027548 k( 231) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0027548 k( 232) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0027548 k( 233) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0027548 k( 234) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0027548 k( 235) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0027548 k( 236) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0027548 k( 237) = ( 0.4080460 0.1839081 0.5000000), wk = 0.0027548 k( 238) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0027548 k( 239) = ( 0.3965517 0.2068966 0.5000000), wk = 0.0027548 k( 240) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0027548 k( 241) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0027548 k( 242) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0027548 k( 243) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0027548 k( 244) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0027548 k( 245) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0027548 k( 246) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0027548 k( 247) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0027548 k( 248) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0027548 k( 249) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0027548 k( 250) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 251) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 k( 252) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0027548 k( 253) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0027548 k( 254) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0027548 k( 255) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0027548 k( 256) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0027548 k( 257) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0027548 k( 258) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0027548 k( 259) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0027548 k( 260) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0027548 k( 261) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0027548 k( 262) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0027548 k( 263) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0027548 k( 264) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0027548 k( 265) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0027548 k( 266) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0027548 k( 267) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0027548 k( 268) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0027548 k( 269) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0027548 k( 270) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0027548 k( 271) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0027548 k( 272) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0027548 k( 273) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0027548 k( 274) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0027548 k( 275) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0027548 k( 276) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0027548 k( 277) = ( 0.1839080 0.1839081 0.5000000), wk = 0.0027548 k( 278) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0027548 k( 279) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0027548 k( 280) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027548 k( 281) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0027548 k( 282) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0027548 k( 283) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0027548 k( 284) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0027548 k( 285) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0027548 k( 286) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0027548 k( 287) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0027548 k( 288) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0027548 k( 289) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0027548 k( 290) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0027548 k( 291) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0027548 k( 292) = ( 0.0977012 0.0977012 0.5000000), wk = 0.0027548 k( 293) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0027548 k( 294) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0027548 k( 295) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0027548 k( 296) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0027548 k( 297) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0027548 k( 298) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0027548 k( 299) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0027548 k( 300) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0027548 k( 301) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0027548 k( 302) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0027548 k( 303) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0027548 k( 304) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0027548 k( 305) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0027548 k( 306) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0027548 k( 307) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0027548 k( 308) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0027548 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027548 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027548 k( 311) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0027548 k( 312) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0027548 k( 313) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0027548 k( 314) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0027548 k( 315) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0027548 k( 316) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0027548 k( 317) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0027548 k( 318) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0027548 k( 319) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0027548 k( 320) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0027548 k( 321) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0027548 k( 322) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0027548 k( 323) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027548 k( 324) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0027548 k( 325) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0027548 k( 326) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0027548 k( 327) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0027548 k( 328) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0027548 k( 329) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0027548 k( 330) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0027548 k( 331) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0027548 k( 332) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0027548 k( 333) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0027548 k( 334) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0027548 k( 335) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0027548 k( 336) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027548 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027548 k( 338) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0027548 k( 339) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0027548 k( 340) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0027548 k( 341) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0027548 k( 342) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0027548 k( 343) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0027548 k( 344) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0027548 k( 345) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0027548 k( 346) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0027548 k( 347) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0027548 k( 348) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0027548 k( 349) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0027548 k( 350) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027548 k( 351) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0027548 k( 352) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0027548 k( 353) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0027548 k( 354) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0027548 k( 355) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0027548 k( 356) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0027548 k( 357) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0027548 k( 358) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0027548 k( 359) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0027548 k( 360) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0027548 k( 361) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0027548 k( 362) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0027548 k( 363) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027548 Dense grid: 46921 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 20733 G-vectors FFT dimensions: ( 30, 30, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 148, 40) NL pseudopotentials 0.11 Mb ( 74, 98) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1307) G-vector shells 0.00 Mb ( 655) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 148, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 98, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaO.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.4 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.9 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.2 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.5 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.5 secs Computing kpt #: 27 total cpu time spent up to now is 8.8 secs Computing kpt #: 28 total cpu time spent up to now is 9.0 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.5 secs Computing kpt #: 31 total cpu time spent up to now is 9.8 secs Computing kpt #: 32 total cpu time spent up to now is 10.0 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.5 secs Computing kpt #: 35 total cpu time spent up to now is 10.7 secs Computing kpt #: 36 total cpu time spent up to now is 11.0 secs Computing kpt #: 37 total cpu time spent up to now is 11.2 secs Computing kpt #: 38 total cpu time spent up to now is 11.5 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.2 secs Computing kpt #: 42 total cpu time spent up to now is 12.4 secs Computing kpt #: 43 total cpu time spent up to now is 12.6 secs Computing kpt #: 44 total cpu time spent up to now is 12.9 secs Computing kpt #: 45 total cpu time spent up to now is 13.1 secs Computing kpt #: 46 total cpu time spent up to now is 13.3 secs Computing kpt #: 47 total cpu time spent up to now is 13.6 secs Computing kpt #: 48 total cpu time spent up to now is 13.8 secs Computing kpt #: 49 total cpu time spent up to now is 14.1 secs Computing kpt #: 50 total cpu time spent up to now is 14.3 secs Computing kpt #: 51 total cpu time spent up to now is 14.5 secs Computing kpt #: 52 total cpu time spent up to now is 14.7 secs Computing kpt #: 53 total cpu time spent up to now is 15.0 secs Computing kpt #: 54 total cpu time spent up to now is 15.2 secs Computing kpt #: 55 total cpu time spent up to now is 15.4 secs Computing kpt #: 56 total cpu time spent up to now is 15.7 secs Computing kpt #: 57 total cpu time spent up to now is 15.9 secs Computing kpt #: 58 total cpu time spent up to now is 16.1 secs Computing kpt #: 59 total cpu time spent up to now is 16.4 secs Computing kpt #: 60 total cpu time spent up to now is 16.6 secs Computing kpt #: 61 total cpu time spent up to now is 16.9 secs Computing kpt #: 62 total cpu time spent up to now is 17.1 secs Computing kpt #: 63 total cpu time spent up to now is 17.4 secs Computing kpt #: 64 total cpu time spent up to now is 17.7 secs Computing kpt #: 65 total cpu time spent up to now is 17.9 secs Computing kpt #: 66 total cpu time spent up to now is 18.2 secs Computing kpt #: 67 total cpu time spent up to now is 18.5 secs Computing kpt #: 68 total cpu time spent up to now is 18.8 secs Computing kpt #: 69 total cpu time spent up to now is 19.1 secs Computing kpt #: 70 total cpu time spent up to now is 19.3 secs Computing kpt #: 71 total cpu time spent up to now is 19.7 secs Computing kpt #: 72 total cpu time spent up to now is 20.0 secs Computing kpt #: 73 total cpu time spent up to now is 20.3 secs Computing kpt #: 74 total cpu time spent up to now is 20.5 secs Computing kpt #: 75 total cpu time spent up to now is 20.9 secs Computing kpt #: 76 total cpu time spent up to now is 21.3 secs Computing kpt #: 77 total cpu time spent up to now is 21.7 secs Computing kpt #: 78 total cpu time spent up to now is 22.0 secs Computing kpt #: 79 total cpu time spent up to now is 22.3 secs Computing kpt #: 80 total cpu time spent up to now is 22.6 secs Computing kpt #: 81 total cpu time spent up to now is 22.9 secs Computing kpt #: 82 total cpu time spent up to now is 23.1 secs Computing kpt #: 83 total cpu time spent up to now is 23.4 secs Computing kpt #: 84 total cpu time spent up to now is 23.7 secs Computing kpt #: 85 total cpu time spent up to now is 23.9 secs Computing kpt #: 86 total cpu time spent up to now is 24.2 secs Computing kpt #: 87 total cpu time spent up to now is 24.5 secs Computing kpt #: 88 total cpu time spent up to now is 24.7 secs Computing kpt #: 89 total cpu time spent up to now is 25.0 secs Computing kpt #: 90 total cpu time spent up to now is 25.2 secs Computing kpt #: 91 total cpu time spent up to now is 25.5 secs Computing kpt #: 92 total cpu time spent up to now is 25.7 secs Computing kpt #: 93 total cpu time spent up to now is 26.0 secs Computing kpt #: 94 total cpu time spent up to now is 26.2 secs Computing kpt #: 95 total cpu time spent up to now is 26.5 secs Computing kpt #: 96 total cpu time spent up to now is 26.7 secs Computing kpt #: 97 total cpu time spent up to now is 27.0 secs Computing kpt #: 98 total cpu time spent up to now is 27.4 secs Computing kpt #: 99 total cpu time spent up to now is 27.7 secs Computing kpt #: 100 total cpu time spent up to now is 28.0 secs Computing kpt #: 101 total cpu time spent up to now is 28.2 secs Computing kpt #: 102 total cpu time spent up to now is 28.5 secs Computing kpt #: 103 total cpu time spent up to now is 28.7 secs Computing kpt #: 104 total cpu time spent up to now is 29.0 secs Computing kpt #: 105 total cpu time spent up to now is 29.2 secs Computing kpt #: 106 total cpu time spent up to now is 29.4 secs Computing kpt #: 107 total cpu time spent up to now is 29.7 secs Computing kpt #: 108 total cpu time spent up to now is 30.0 secs Computing kpt #: 109 total cpu time spent up to now is 30.2 secs Computing kpt #: 110 total cpu time spent up to now is 30.5 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.3 secs Computing kpt #: 112 total cpu time spent up to now is 31.8 secs Computing kpt #: 113 total cpu time spent up to now is 32.1 secs Computing kpt #: 114 total cpu time spent up to now is 32.5 secs Computing kpt #: 115 total cpu time spent up to now is 32.8 secs Computing kpt #: 116 total cpu time spent up to now is 33.1 secs Computing kpt #: 117 total cpu time spent up to now is 33.4 secs Computing kpt #: 118 total cpu time spent up to now is 33.6 secs Computing kpt #: 119 total cpu time spent up to now is 33.9 secs Computing kpt #: 120 total cpu time spent up to now is 34.2 secs Computing kpt #: 121 total cpu time spent up to now is 34.5 secs Computing kpt #: 122 total cpu time spent up to now is 34.7 secs Computing kpt #: 123 total cpu time spent up to now is 35.3 secs Computing kpt #: 124 total cpu time spent up to now is 35.6 secs Computing kpt #: 125 total cpu time spent up to now is 35.9 secs Computing kpt #: 126 total cpu time spent up to now is 36.2 secs Computing kpt #: 127 total cpu time spent up to now is 36.4 secs Computing kpt #: 128 total cpu time spent up to now is 36.7 secs Computing kpt #: 129 total cpu time spent up to now is 37.0 secs Computing kpt #: 130 total cpu time spent up to now is 37.3 secs Computing kpt #: 131 total cpu time spent up to now is 37.7 secs Computing kpt #: 132 total cpu time spent up to now is 38.0 secs Computing kpt #: 133 total cpu time spent up to now is 38.3 secs Computing kpt #: 134 total cpu time spent up to now is 38.5 secs Computing kpt #: 135 total cpu time spent up to now is 38.8 secs Computing kpt #: 136 total cpu time spent up to now is 39.1 secs Computing kpt #: 137 total cpu time spent up to now is 39.4 secs Computing kpt #: 138 total cpu time spent up to now is 39.7 secs Computing kpt #: 139 total cpu time spent up to now is 40.0 secs Computing kpt #: 140 total cpu time spent up to now is 40.2 secs Computing kpt #: 141 total cpu time spent up to now is 40.5 secs Computing kpt #: 142 total cpu time spent up to now is 40.8 secs Computing kpt #: 143 total cpu time spent up to now is 41.1 secs Computing kpt #: 144 total cpu time spent up to now is 41.3 secs Computing kpt #: 145 total cpu time spent up to now is 41.6 secs Computing kpt #: 146 total cpu time spent up to now is 41.9 secs Computing kpt #: 147 total cpu time spent up to now is 42.3 secs Computing kpt #: 148 total cpu time spent up to now is 42.5 secs Computing kpt #: 149 total cpu time spent up to now is 42.8 secs Computing kpt #: 150 total cpu time spent up to now is 43.1 secs Computing kpt #: 151 total cpu time spent up to now is 43.3 secs Computing kpt #: 152 total cpu time spent up to now is 43.6 secs Computing kpt #: 153 total cpu time spent up to now is 43.9 secs Computing kpt #: 154 total cpu time spent up to now is 44.2 secs Computing kpt #: 155 total cpu time spent up to now is 44.4 secs Computing kpt #: 156 total cpu time spent up to now is 44.7 secs Computing kpt #: 157 total cpu time spent up to now is 45.0 secs Computing kpt #: 158 total cpu time spent up to now is 45.3 secs Computing kpt #: 159 total cpu time spent up to now is 45.6 secs Computing kpt #: 160 total cpu time spent up to now is 45.9 secs Computing kpt #: 161 total cpu time spent up to now is 46.3 secs Computing kpt #: 162 total cpu time spent up to now is 46.7 secs Computing kpt #: 163 total cpu time spent up to now is 47.2 secs Computing kpt #: 164 total cpu time spent up to now is 47.7 secs Computing kpt #: 165 total cpu time spent up to now is 48.1 secs Computing kpt #: 166 total cpu time spent up to now is 48.6 secs Computing kpt #: 167 total cpu time spent up to now is 49.1 secs Computing kpt #: 168 total cpu time spent up to now is 49.7 secs Computing kpt #: 169 total cpu time spent up to now is 50.2 secs Computing kpt #: 170 total cpu time spent up to now is 50.6 secs Computing kpt #: 171 total cpu time spent up to now is 51.1 secs Computing kpt #: 172 total cpu time spent up to now is 51.5 secs Computing kpt #: 173 total cpu time spent up to now is 51.9 secs Computing kpt #: 174 total cpu time spent up to now is 52.3 secs Computing kpt #: 175 total cpu time spent up to now is 52.7 secs Computing kpt #: 176 total cpu time spent up to now is 53.1 secs Computing kpt #: 177 total cpu time spent up to now is 53.5 secs Computing kpt #: 178 total cpu time spent up to now is 53.9 secs Computing kpt #: 179 total cpu time spent up to now is 54.2 secs Computing kpt #: 180 total cpu time spent up to now is 54.6 secs Computing kpt #: 181 total cpu time spent up to now is 54.9 secs Computing kpt #: 182 total cpu time spent up to now is 55.2 secs Computing kpt #: 183 total cpu time spent up to now is 55.5 secs Computing kpt #: 184 total cpu time spent up to now is 55.8 secs Computing kpt #: 185 total cpu time spent up to now is 56.0 secs Computing kpt #: 186 total cpu time spent up to now is 56.3 secs Computing kpt #: 187 total cpu time spent up to now is 56.5 secs Computing kpt #: 188 total cpu time spent up to now is 56.8 secs Computing kpt #: 189 total cpu time spent up to now is 57.0 secs Computing kpt #: 190 total cpu time spent up to now is 57.2 secs Computing kpt #: 191 total cpu time spent up to now is 57.5 secs Computing kpt #: 192 total cpu time spent up to now is 57.8 secs Computing kpt #: 193 total cpu time spent up to now is 58.0 secs Computing kpt #: 194 total cpu time spent up to now is 58.2 secs Computing kpt #: 195 total cpu time spent up to now is 58.5 secs Computing kpt #: 196 total cpu time spent up to now is 58.7 secs Computing kpt #: 197 total cpu time spent up to now is 58.9 secs Computing kpt #: 198 total cpu time spent up to now is 59.2 secs Computing kpt #: 199 total cpu time spent up to now is 59.4 secs Computing kpt #: 200 total cpu time spent up to now is 59.7 secs Computing kpt #: 201 total cpu time spent up to now is 59.9 secs Computing kpt #: 202 total cpu time spent up to now is 60.1 secs Computing kpt #: 203 total cpu time spent up to now is 60.4 secs Computing kpt #: 204 total cpu time spent up to now is 60.6 secs Computing kpt #: 205 total cpu time spent up to now is 60.8 secs Computing kpt #: 206 total cpu time spent up to now is 61.1 secs Computing kpt #: 207 total cpu time spent up to now is 61.3 secs Computing kpt #: 208 total cpu time spent up to now is 61.5 secs Computing kpt #: 209 total cpu time spent up to now is 61.7 secs Computing kpt #: 210 total cpu time spent up to now is 62.0 secs Computing kpt #: 211 total cpu time spent up to now is 62.2 secs Computing kpt #: 212 total cpu time spent up to now is 62.4 secs Computing kpt #: 213 total cpu time spent up to now is 62.7 secs Computing kpt #: 214 total cpu time spent up to now is 62.9 secs Computing kpt #: 215 total cpu time spent up to now is 63.1 secs Computing kpt #: 216 total cpu time spent up to now is 63.3 secs Computing kpt #: 217 total cpu time spent up to now is 63.6 secs Computing kpt #: 218 total cpu time spent up to now is 63.8 secs Computing kpt #: 219 total cpu time spent up to now is 64.0 secs Computing kpt #: 220 total cpu time spent up to now is 64.3 secs Computing kpt #: 221 total cpu time spent up to now is 64.5 secs Computing kpt #: 222 total cpu time spent up to now is 64.7 secs Computing kpt #: 223 total cpu time spent up to now is 65.0 secs Computing kpt #: 224 total cpu time spent up to now is 65.2 secs Computing kpt #: 225 total cpu time spent up to now is 65.4 secs Computing kpt #: 226 total cpu time spent up to now is 65.6 secs Computing kpt #: 227 total cpu time spent up to now is 65.9 secs Computing kpt #: 228 total cpu time spent up to now is 66.1 secs Computing kpt #: 229 total cpu time spent up to now is 66.3 secs Computing kpt #: 230 total cpu time spent up to now is 66.6 secs Computing kpt #: 231 total cpu time spent up to now is 66.8 secs Computing kpt #: 232 total cpu time spent up to now is 67.1 secs Computing kpt #: 233 total cpu time spent up to now is 67.3 secs Computing kpt #: 234 total cpu time spent up to now is 67.5 secs Computing kpt #: 235 total cpu time spent up to now is 67.8 secs Computing kpt #: 236 total cpu time spent up to now is 68.0 secs Computing kpt #: 237 total cpu time spent up to now is 68.2 secs Computing kpt #: 238 total cpu time spent up to now is 68.5 secs Computing kpt #: 239 total cpu time spent up to now is 68.7 secs Computing kpt #: 240 total cpu time spent up to now is 68.9 secs Computing kpt #: 241 total cpu time spent up to now is 69.2 secs Computing kpt #: 242 total cpu time spent up to now is 69.4 secs Computing kpt #: 243 total cpu time spent up to now is 69.7 secs Computing kpt #: 244 total cpu time spent up to now is 69.9 secs Computing kpt #: 245 total cpu time spent up to now is 70.2 secs Computing kpt #: 246 total cpu time spent up to now is 70.4 secs Computing kpt #: 247 total cpu time spent up to now is 70.6 secs Computing kpt #: 248 total cpu time spent up to now is 70.9 secs Computing kpt #: 249 total cpu time spent up to now is 71.1 secs Computing kpt #: 250 total cpu time spent up to now is 71.3 secs Computing kpt #: 251 total cpu time spent up to now is 71.5 secs Computing kpt #: 252 total cpu time spent up to now is 71.7 secs Computing kpt #: 253 total cpu time spent up to now is 72.0 secs Computing kpt #: 254 total cpu time spent up to now is 72.2 secs Computing kpt #: 255 total cpu time spent up to now is 72.4 secs Computing kpt #: 256 total cpu time spent up to now is 72.7 secs Computing kpt #: 257 total cpu time spent up to now is 72.9 secs Computing kpt #: 258 total cpu time spent up to now is 73.1 secs Computing kpt #: 259 total cpu time spent up to now is 73.4 secs Computing kpt #: 260 total cpu time spent up to now is 73.6 secs Computing kpt #: 261 total cpu time spent up to now is 73.9 secs Computing kpt #: 262 total cpu time spent up to now is 74.1 secs Computing kpt #: 263 total cpu time spent up to now is 74.4 secs Computing kpt #: 264 total cpu time spent up to now is 74.6 secs Computing kpt #: 265 total cpu time spent up to now is 74.8 secs Computing kpt #: 266 total cpu time spent up to now is 75.1 secs Computing kpt #: 267 total cpu time spent up to now is 75.3 secs Computing kpt #: 268 total cpu time spent up to now is 75.6 secs Computing kpt #: 269 total cpu time spent up to now is 75.8 secs Computing kpt #: 270 total cpu time spent up to now is 76.0 secs Computing kpt #: 271 total cpu time spent up to now is 76.3 secs Computing kpt #: 272 total cpu time spent up to now is 76.5 secs Computing kpt #: 273 total cpu time spent up to now is 76.8 secs Computing kpt #: 274 total cpu time spent up to now is 77.0 secs Computing kpt #: 275 total cpu time spent up to now is 77.2 secs Computing kpt #: 276 total cpu time spent up to now is 77.5 secs Computing kpt #: 277 total cpu time spent up to now is 77.7 secs Computing kpt #: 278 total cpu time spent up to now is 78.0 secs Computing kpt #: 279 total cpu time spent up to now is 78.2 secs Computing kpt #: 280 total cpu time spent up to now is 78.4 secs Computing kpt #: 281 total cpu time spent up to now is 78.7 secs Computing kpt #: 282 total cpu time spent up to now is 78.9 secs Computing kpt #: 283 total cpu time spent up to now is 79.2 secs Computing kpt #: 284 total cpu time spent up to now is 79.4 secs Computing kpt #: 285 total cpu time spent up to now is 79.7 secs Computing kpt #: 286 total cpu time spent up to now is 79.9 secs Computing kpt #: 287 total cpu time spent up to now is 80.2 secs Computing kpt #: 288 total cpu time spent up to now is 80.4 secs Computing kpt #: 289 total cpu time spent up to now is 80.6 secs Computing kpt #: 290 total cpu time spent up to now is 80.9 secs Computing kpt #: 291 total cpu time spent up to now is 81.1 secs Computing kpt #: 292 total cpu time spent up to now is 81.4 secs Computing kpt #: 293 total cpu time spent up to now is 81.6 secs Computing kpt #: 294 total cpu time spent up to now is 81.9 secs Computing kpt #: 295 total cpu time spent up to now is 82.1 secs Computing kpt #: 296 total cpu time spent up to now is 82.4 secs Computing kpt #: 297 total cpu time spent up to now is 82.6 secs Computing kpt #: 298 total cpu time spent up to now is 82.9 secs Computing kpt #: 299 total cpu time spent up to now is 83.2 secs Computing kpt #: 300 total cpu time spent up to now is 83.5 secs Computing kpt #: 301 total cpu time spent up to now is 83.9 secs Computing kpt #: 302 total cpu time spent up to now is 84.3 secs Computing kpt #: 303 total cpu time spent up to now is 84.6 secs Computing kpt #: 304 total cpu time spent up to now is 85.0 secs Computing kpt #: 305 total cpu time spent up to now is 85.5 secs Computing kpt #: 306 total cpu time spent up to now is 85.9 secs Computing kpt #: 307 total cpu time spent up to now is 86.4 secs Computing kpt #: 308 total cpu time spent up to now is 86.9 secs Computing kpt #: 309 total cpu time spent up to now is 87.4 secs Computing kpt #: 310 total cpu time spent up to now is 87.7 secs Computing kpt #: 311 total cpu time spent up to now is 87.9 secs Computing kpt #: 312 total cpu time spent up to now is 88.1 secs Computing kpt #: 313 total cpu time spent up to now is 88.4 secs Computing kpt #: 314 total cpu time spent up to now is 88.6 secs Computing kpt #: 315 total cpu time spent up to now is 88.8 secs Computing kpt #: 316 total cpu time spent up to now is 89.0 secs Computing kpt #: 317 total cpu time spent up to now is 89.3 secs Computing kpt #: 318 total cpu time spent up to now is 89.5 secs Computing kpt #: 319 total cpu time spent up to now is 89.7 secs Computing kpt #: 320 total cpu time spent up to now is 90.0 secs Computing kpt #: 321 total cpu time spent up to now is 90.2 secs Computing kpt #: 322 total cpu time spent up to now is 90.4 secs Computing kpt #: 323 total cpu time spent up to now is 90.7 secs Computing kpt #: 324 total cpu time spent up to now is 90.9 secs Computing kpt #: 325 total cpu time spent up to now is 91.1 secs Computing kpt #: 326 total cpu time spent up to now is 91.4 secs Computing kpt #: 327 total cpu time spent up to now is 91.6 secs Computing kpt #: 328 total cpu time spent up to now is 91.9 secs Computing kpt #: 329 total cpu time spent up to now is 92.2 secs Computing kpt #: 330 total cpu time spent up to now is 92.5 secs Computing kpt #: 331 total cpu time spent up to now is 92.9 secs Computing kpt #: 332 total cpu time spent up to now is 93.3 secs Computing kpt #: 333 total cpu time spent up to now is 93.6 secs Computing kpt #: 334 total cpu time spent up to now is 94.0 secs Computing kpt #: 335 total cpu time spent up to now is 94.2 secs Computing kpt #: 336 total cpu time spent up to now is 94.4 secs Computing kpt #: 337 total cpu time spent up to now is 94.7 secs Computing kpt #: 338 total cpu time spent up to now is 95.2 secs Computing kpt #: 339 total cpu time spent up to now is 95.5 secs Computing kpt #: 340 total cpu time spent up to now is 95.8 secs Computing kpt #: 341 total cpu time spent up to now is 96.1 secs Computing kpt #: 342 total cpu time spent up to now is 96.4 secs Computing kpt #: 343 total cpu time spent up to now is 96.6 secs Computing kpt #: 344 total cpu time spent up to now is 96.9 secs Computing kpt #: 345 total cpu time spent up to now is 97.1 secs Computing kpt #: 346 total cpu time spent up to now is 97.4 secs Computing kpt #: 347 total cpu time spent up to now is 97.7 secs Computing kpt #: 348 total cpu time spent up to now is 97.9 secs Computing kpt #: 349 total cpu time spent up to now is 98.2 secs Computing kpt #: 350 total cpu time spent up to now is 98.4 secs Computing kpt #: 351 total cpu time spent up to now is 98.7 secs Computing kpt #: 352 total cpu time spent up to now is 98.9 secs Computing kpt #: 353 total cpu time spent up to now is 99.1 secs Computing kpt #: 354 total cpu time spent up to now is 99.4 secs Computing kpt #: 355 total cpu time spent up to now is 99.6 secs Computing kpt #: 356 total cpu time spent up to now is 99.8 secs Computing kpt #: 357 total cpu time spent up to now is 100.1 secs Computing kpt #: 358 total cpu time spent up to now is 100.3 secs Computing kpt #: 359 total cpu time spent up to now is 100.5 secs Computing kpt #: 360 total cpu time spent up to now is 100.8 secs Computing kpt #: 361 total cpu time spent up to now is 101.0 secs Computing kpt #: 362 total cpu time spent up to now is 101.2 secs Computing kpt #: 363 total cpu time spent up to now is 101.4 secs ethr = 3.13E-08, avg # of iterations = 20.1 total cpu time spent up to now is 101.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2623 PWs) bands (ev): -14.6834 -14.6834 -14.2039 -14.2039 -5.5178 -5.5178 -4.1794 -4.1794 -0.1849 -0.1849 -0.0760 -0.0760 1.8669 1.8669 1.8885 1.8885 1.9258 1.9258 2.0228 2.0228 8.6148 8.6148 9.7470 9.7470 9.8197 9.8197 9.8207 9.8207 9.8444 9.8444 11.1014 11.1014 15.2567 15.2567 15.2848 15.2848 15.4107 15.4107 16.5526 16.5526 k = 0.0098 0.0057-0.0000 ( 2623 PWs) bands (ev): -14.6830 -14.6830 -14.2037 -14.2037 -5.5171 -5.5171 -4.1806 -4.1806 -0.1850 -0.1850 -0.0774 -0.0774 1.8650 1.8650 1.8867 1.8867 1.9253 1.9253 2.0226 2.0226 8.6172 8.6172 9.7471 9.7471 9.8197 9.8197 9.8204 9.8204 9.8444 9.8444 11.1001 11.1001 15.2480 15.2480 15.2894 15.2894 15.4131 15.4131 16.5600 16.5600 k = 0.0196 0.0113-0.0000 ( 2623 PWs) bands (ev): -14.6816 -14.6816 -14.2029 -14.2029 -5.5151 -5.5151 -4.1840 -4.1840 -0.1854 -0.1854 -0.0816 -0.0816 1.8594 1.8594 1.8813 1.8813 1.9242 1.9242 2.0221 2.0221 8.6244 8.6244 9.7471 9.7471 9.8191 9.8191 9.8201 9.8201 9.8448 9.8448 11.0963 11.0963 15.2226 15.2226 15.3031 15.3031 15.4204 15.4204 16.5802 16.5802 k = 0.0294 0.0170-0.0000 ( 2623 PWs) bands (ev): -14.6793 -14.6793 -14.2016 -14.2016 -5.5119 -5.5119 -4.1896 -4.1896 -0.1861 -0.1861 -0.0887 -0.0887 1.8499 1.8499 1.8725 1.8725 1.9227 1.9227 2.0211 2.0211 8.6363 8.6363 9.7462 9.7462 9.8175 9.8175 9.8203 9.8203 9.8462 9.8462 11.0900 11.0900 15.1832 15.1832 15.3255 15.3255 15.4327 15.4327 16.6081 16.6081 k = 0.0392 0.0226-0.0000 ( 2615 PWs) bands (ev): -14.6762 -14.6762 -14.1998 -14.1998 -5.5072 -5.5072 -4.1975 -4.1975 -0.1871 -0.1871 -0.0985 -0.0985 1.8359 1.8359 1.8609 1.8609 1.9209 1.9209 2.0194 2.0194 8.6526 8.6526 9.7435 9.7435 9.8143 9.8143 9.8222 9.8222 9.8493 9.8493 11.0814 11.0814 15.1328 15.1328 15.3559 15.3559 15.4504 15.4504 16.6396 16.6396 k = 0.0490 0.0283-0.0000 ( 2607 PWs) bands (ev): -14.6721 -14.6721 -14.1976 -14.1976 -5.5013 -5.5013 -4.2076 -4.2076 -0.1884 -0.1884 -0.1110 -0.1110 1.8172 1.8172 1.8472 1.8472 1.9188 1.9188 2.0171 2.0171 8.6730 8.6730 9.7381 9.7381 9.8092 9.8092 9.8268 9.8268 9.8545 9.8545 11.0705 11.0705 15.0748 15.0748 15.3931 15.3931 15.4744 15.4744 16.6737 16.6737 k = 0.0588 0.0340-0.0000 ( 2603 PWs) bands (ev): -14.6671 -14.6671 -14.1948 -14.1948 -5.4941 -5.4941 -4.2199 -4.2199 -0.1900 -0.1900 -0.1262 -0.1262 1.7938 1.7938 1.8317 1.8317 1.9164 1.9164 2.0139 2.0139 8.6970 8.6970 9.7297 9.7297 9.8021 9.8021 9.8347 9.8347 9.8616 9.8616 11.0576 11.0576 15.0117 15.0117 15.4344 15.4344 15.5068 15.5068 16.7112 16.7112 k = 0.0686 0.0396-0.0000 ( 2597 PWs) bands (ev): -14.6613 -14.6613 -14.1916 -14.1916 -5.4856 -5.4856 -4.2344 -4.2344 -0.1920 -0.1920 -0.1438 -0.1438 1.7659 1.7659 1.8146 1.8146 1.9134 1.9134 2.0099 2.0099 8.7242 8.7242 9.7190 9.7190 9.7933 9.7933 9.8456 9.8456 9.8706 9.8706 11.0428 11.0428 14.9458 14.9458 15.4765 15.4765 15.5504 15.5504 16.7529 16.7529 k = 0.0784 0.0453-0.0000 ( 2597 PWs) bands (ev): -14.6546 -14.6546 -14.1879 -14.1879 -5.4759 -5.4759 -4.2509 -4.2509 -0.1948 -0.1948 -0.1635 -0.1635 1.7341 1.7341 1.7958 1.7958 1.9099 1.9099 2.0050 2.0050 8.7540 8.7540 9.7065 9.7065 9.7830 9.7830 9.8586 9.8586 9.8817 9.8817 11.0266 11.0266 14.8789 14.8789 15.5175 15.5175 15.6063 15.6063 16.7993 16.7993 k = 0.0882 0.0509-0.0000 ( 2593 PWs) bands (ev): -14.6471 -14.6471 -14.1838 -14.1838 -5.4649 -5.4649 -4.2694 -4.2694 -0.2004 -0.2004 -0.1832 -0.1832 1.6987 1.6987 1.7754 1.7754 1.9058 1.9058 1.9994 1.9994 8.7855 8.7855 9.6934 9.6934 9.7713 9.7713 9.8726 9.8726 9.8954 9.8954 11.0090 11.0090 14.8122 14.8122 15.5583 15.5583 15.6728 15.6728 16.8510 16.8510 k = 0.0980 0.0566-0.0000 ( 2593 PWs) bands (ev): -14.6388 -14.6388 -14.1792 -14.1792 -5.4527 -5.4527 -4.2899 -4.2899 -0.2176 -0.2176 -0.1939 -0.1939 1.6602 1.6602 1.7533 1.7533 1.9010 1.9010 1.9930 1.9930 8.8180 8.8180 9.6804 9.6804 9.7584 9.7584 9.8866 9.8866 9.9122 9.9122 10.9906 10.9906 14.7467 14.7467 15.6005 15.6005 15.7473 15.7473 16.9079 16.9079 k = 0.1078 0.0623-0.0000 ( 2595 PWs) bands (ev): -14.6296 -14.6296 -14.1742 -14.1742 -5.4393 -5.4393 -4.3123 -4.3123 -0.2437 -0.2437 -0.1983 -0.1983 1.6188 1.6188 1.7297 1.7297 1.8955 1.8955 1.9861 1.9861 8.8505 8.8505 9.6685 9.6685 9.7443 9.7443 9.9000 9.9000 9.9324 9.9324 10.9716 10.9716 14.6832 14.6832 15.6452 15.6452 15.8278 15.8278 16.9701 16.9701 k = 0.1176 0.0679-0.0000 ( 2595 PWs) bands (ev): -14.6197 -14.6197 -14.1689 -14.1689 -5.4248 -5.4248 -4.3364 -4.3364 -0.2732 -0.2732 -0.2017 -0.2017 1.5748 1.5748 1.7046 1.7046 1.8891 1.8891 1.9786 1.9786 8.8820 8.8820 9.6587 9.6587 9.7291 9.7291 9.9128 9.9128 9.9552 9.9552 10.9524 10.9524 14.6223 14.6223 15.6925 15.6925 15.9128 15.9128 17.0378 17.0378 k = 0.1275 0.0736-0.0000 ( 2599 PWs) bands (ev): -14.6090 -14.6090 -14.1631 -14.1631 -5.4091 -5.4091 -4.3624 -4.3624 -0.3050 -0.3050 -0.2051 -0.2051 1.5287 1.5287 1.6780 1.6780 1.8818 1.8818 1.9709 1.9709 8.9114 8.9114 9.6519 9.6519 9.7130 9.7130 9.9250 9.9250 9.9804 9.9804 10.9334 10.9334 14.5644 14.5644 15.7427 15.7427 16.0010 16.0010 17.1108 17.1108 k = 0.1373 0.0792-0.0000 ( 2589 PWs) bands (ev): -14.5976 -14.5976 -14.1571 -14.1571 -5.3922 -5.3922 -4.3899 -4.3899 -0.3390 -0.3390 -0.2085 -0.2085 1.4806 1.4806 1.6503 1.6503 1.8735 1.8735 1.9630 1.9630 8.9375 8.9375 9.6490 9.6490 9.6960 9.6960 9.9367 9.9367 10.0074 10.0074 10.9151 10.9151 14.5097 14.5097 15.7956 15.7956 16.0912 16.0912 17.1892 17.1892 k = 0.1471 0.0849-0.0000 ( 2585 PWs) bands (ev): -14.5855 -14.5855 -14.1507 -14.1507 -5.3744 -5.3744 -4.4189 -4.4189 -0.3749 -0.3749 -0.2121 -0.2121 1.4308 1.4308 1.6213 1.6213 1.8642 1.8642 1.9550 1.9550 8.9594 8.9594 9.6509 9.6509 9.6782 9.6782 9.9477 9.9477 10.0360 10.0360 10.8978 10.8978 14.4586 14.4586 15.8508 15.8508 16.1820 16.1820 17.2728 17.2728 k = 0.1569 0.0906-0.0000 ( 2597 PWs) bands (ev): -14.5727 -14.5727 -14.1440 -14.1440 -5.3555 -5.3555 -4.4494 -4.4494 -0.4125 -0.4125 -0.2158 -0.2158 1.3796 1.3796 1.5913 1.5913 1.8538 1.8538 1.9471 1.9471 8.9761 8.9761 9.6564 9.6564 9.6614 9.6614 9.9577 9.9577 10.0660 10.0660 10.8820 10.8820 14.4111 14.4111 15.9082 15.9082 16.2721 16.2721 17.3616 17.3616 k = 0.1667 0.0962-0.0000 ( 2601 PWs) bands (ev): -14.5593 -14.5593 -14.1371 -14.1371 -5.3356 -5.3356 -4.4812 -4.4812 -0.4517 -0.4517 -0.2197 -0.2197 1.3273 1.3273 1.5604 1.5604 1.8422 1.8422 1.9394 1.9394 8.9875 8.9875 9.6401 9.6401 9.6712 9.6712 9.9666 9.9666 10.0971 10.0971 10.8681 10.8681 14.3673 14.3673 15.9672 15.9672 16.3603 16.3603 17.4555 17.4555 k = 0.1765 0.1019-0.0000 ( 2603 PWs) bands (ev): -14.5453 -14.5453 -14.1299 -14.1299 -5.3148 -5.3148 -4.5142 -4.5142 -0.4923 -0.4923 -0.2238 -0.2238 1.2740 1.2740 1.5286 1.5286 1.8297 1.8297 1.9319 1.9319 8.9933 8.9933 9.6205 9.6205 9.6891 9.6891 9.9740 9.9740 10.1293 10.1293 10.8566 10.8566 14.3271 14.3271 16.0271 16.0271 16.4455 16.4455 17.5543 17.5543 k = 0.1863 0.1075-0.0000 ( 2603 PWs) bands (ev): -14.5307 -14.5307 -14.1225 -14.1225 -5.2930 -5.2930 -4.5483 -4.5483 -0.5342 -0.5342 -0.2280 -0.2280 1.2201 1.2201 1.4962 1.4962 1.8161 1.8161 1.9247 1.9247 8.9939 8.9939 9.6004 9.6004 9.7116 9.7116 9.9800 9.9800 10.1622 10.1622 10.8477 10.8477 14.2904 14.2904 16.0873 16.0873 16.5267 16.5267 17.6580 17.6580 k = 0.1961 0.1132-0.0000 ( 2603 PWs) bands (ev): -14.5157 -14.5157 -14.1150 -14.1150 -5.2705 -5.2705 -4.5833 -4.5833 -0.5773 -0.5773 -0.2323 -0.2323 1.1656 1.1656 1.4632 1.4632 1.8016 1.8016 1.9178 1.9178 8.9901 8.9901 9.5799 9.5799 9.7377 9.7377 9.9843 9.9843 10.1958 10.1958 10.8418 10.8418 14.2570 14.2570 16.1467 16.1467 16.6038 16.6038 17.7660 17.7660 k = 0.2059 0.1189-0.0000 ( 2603 PWs) bands (ev): -14.5001 -14.5001 -14.1074 -14.1074 -5.2472 -5.2472 -4.6192 -4.6192 -0.6212 -0.6212 -0.2367 -0.2367 1.1109 1.1109 1.4298 1.4298 1.7864 1.7864 1.9111 1.9111 8.9826 8.9826 9.5592 9.5592 9.7662 9.7662 9.9872 9.9872 10.2299 10.2299 10.8390 10.8390 14.2267 14.2267 16.2043 16.2043 16.6768 16.6768 17.8777 17.8777 k = 0.2157 0.1245-0.0000 ( 2599 PWs) bands (ev): -14.4841 -14.4841 -14.0996 -14.0996 -5.2232 -5.2232 -4.6557 -4.6557 -0.6660 -0.6660 -0.2412 -0.2412 1.0560 1.0560 1.3961 1.3961 1.7705 1.7705 1.9046 1.9046 8.9721 8.9721 9.5383 9.5383 9.7957 9.7957 9.9891 9.9891 10.2644 10.2644 10.8394 10.8394 14.1991 14.1991 16.2586 16.2586 16.7467 16.7467 17.9882 17.9882 k = 0.2255 0.1302-0.0000 ( 2593 PWs) bands (ev): -14.4678 -14.4678 -14.0918 -14.0918 -5.1985 -5.1985 -4.6928 -4.6928 -0.7113 -0.7113 -0.2457 -0.2457 1.0012 1.0012 1.3623 1.3623 1.7541 1.7541 1.8983 1.8983 8.9594 8.9594 9.5173 9.5173 9.8246 9.8246 9.9908 9.9908 10.2990 10.2990 10.8431 10.8431 14.1739 14.1739 16.3084 16.3084 16.8150 16.8150 18.0335 18.0335 k = 0.2353 0.1358-0.0000 ( 2589 PWs) bands (ev): -14.4511 -14.4511 -14.0840 -14.0840 -5.1734 -5.1734 -4.7302 -4.7302 -0.7571 -0.7571 -0.2503 -0.2503 0.9466 0.9466 1.3284 1.3284 1.7372 1.7372 1.8922 1.8922 8.9450 8.9450 9.4963 9.4963 9.8508 9.8508 9.9938 9.9938 10.3336 10.3336 10.8499 10.8499 14.1506 14.1506 16.3525 16.3525 16.8836 16.8836 17.9987 17.9987 k = 0.2451 0.1415-0.0000 ( 2589 PWs) bands (ev): -14.4341 -14.4341 -14.0762 -14.0762 -5.1477 -5.1477 -4.7679 -4.7679 -0.8032 -0.8032 -0.2549 -0.2549 0.8924 0.8924 1.2947 1.2947 1.7201 1.7201 1.8863 1.8863 8.9295 8.9295 9.4753 9.4753 9.8715 9.8715 10.0006 10.0006 10.3681 10.3681 10.8596 10.8596 14.1288 14.1288 16.3902 16.3902 16.9542 16.9542 17.9471 17.9471 k = 0.2549 0.1472-0.0000 ( 2593 PWs) bands (ev): -14.4169 -14.4169 -14.0685 -14.0685 -5.1217 -5.1217 -4.8056 -4.8056 -0.8494 -0.8494 -0.2596 -0.2596 0.8387 0.8387 1.2611 1.2611 1.7028 1.7028 1.8805 1.8805 8.9133 8.9133 9.4545 9.4545 9.8839 9.8839 10.0138 10.0138 10.4023 10.4023 10.8720 10.8720 14.1079 14.1079 16.4215 16.4215 17.0280 17.0280 17.8851 17.8851 k = 0.2647 0.1528-0.0000 ( 2585 PWs) bands (ev): -14.3995 -14.3995 -14.0609 -14.0609 -5.0956 -5.0956 -4.8432 -4.8432 -0.8954 -0.8954 -0.2642 -0.2642 0.7856 0.7856 1.2279 1.2279 1.6854 1.6854 1.8749 1.8749 8.8967 8.8967 9.4340 9.4340 9.8876 9.8876 10.0337 10.0337 10.4362 10.4362 10.8868 10.8868 14.0875 14.0875 16.4471 16.4471 17.1058 17.1058 17.8149 17.8149 k = 0.2745 0.1585-0.0000 ( 2585 PWs) bands (ev): -14.3819 -14.3819 -14.0534 -14.0534 -5.0695 -5.0695 -4.8803 -4.8803 -0.9413 -0.9413 -0.2687 -0.2687 0.7332 0.7332 1.1952 1.1952 1.6680 1.6680 1.8695 1.8695 8.8800 8.8800 9.4137 9.4137 9.8846 9.8846 10.0584 10.0584 10.4694 10.4694 10.9035 10.9035 14.0670 14.0670 16.4681 16.4681 17.1876 17.1876 17.7387 17.7387 k = 0.2843 0.1641-0.0000 ( 2589 PWs) bands (ev): -14.3643 -14.3643 -14.0461 -14.0461 -5.0440 -5.0440 -4.9164 -4.9164 -0.9867 -0.9867 -0.2732 -0.2732 0.6817 0.6817 1.1630 1.1630 1.6507 1.6507 1.8641 1.8641 8.8634 8.8634 9.3938 9.3938 9.8772 9.8772 10.0856 10.0856 10.5020 10.5020 10.9220 10.9220 14.0462 14.0462 16.4858 16.4858 17.2729 17.2729 17.6584 17.6584 k = 0.2941 0.1698-0.0000 ( 2589 PWs) bands (ev): -14.3467 -14.3467 -14.0391 -14.0391 -5.0213 -5.0213 -4.9492 -4.9492 -1.0315 -1.0315 -0.2776 -0.2776 0.6313 0.6313 1.1316 1.1316 1.6336 1.6336 1.8590 1.8590 8.8470 8.8470 9.3743 9.3743 9.8672 9.8672 10.1139 10.1139 10.5338 10.5338 10.9418 10.9418 14.0245 14.0245 16.5015 16.5015 17.3600 17.3600 17.5768 17.5768 k = 0.3039 0.1755-0.0000 ( 2589 PWs) bands (ev): -14.3291 -14.3291 -14.0323 -14.0323 -5.0143 -5.0143 -4.9657 -4.9657 -1.0755 -1.0755 -0.2819 -0.2819 0.5819 0.5819 1.1009 1.1009 1.6168 1.6168 1.8540 1.8540 8.8310 8.8310 9.3553 9.3553 9.8557 9.8557 10.1424 10.1424 10.5648 10.5648 10.9627 10.9627 14.0017 14.0017 16.5165 16.5165 17.4343 17.4343 17.5096 17.5096 k = 0.3137 0.1811-0.0000 ( 2593 PWs) bands (ev): -14.3116 -14.3116 -14.0258 -14.0258 -5.0378 -5.0378 -4.9512 -4.9512 -1.1187 -1.1187 -0.2860 -0.2860 0.5338 0.5338 1.0711 1.0711 1.6003 1.6003 1.8491 1.8491 8.8154 8.8154 9.3369 9.3369 9.8433 9.8433 10.1705 10.1705 10.5947 10.5947 10.9843 10.9843 13.9776 13.9776 16.5316 16.5316 17.3917 17.3917 17.5612 17.5612 k = 0.3235 0.1868-0.0000 ( 2593 PWs) bands (ev): -14.2943 -14.2943 -14.0196 -14.0196 -5.0698 -5.0698 -4.9276 -4.9276 -1.1608 -1.1608 -0.2899 -0.2899 0.4870 0.4870 1.0423 1.0423 1.5843 1.5843 1.8445 1.8445 8.8003 8.8003 9.3191 9.3191 9.8304 9.8304 10.1981 10.1981 10.6236 10.6236 11.0064 11.0064 13.9522 13.9522 16.5475 16.5475 17.3105 17.3105 17.6540 17.6540 k = 0.3333 0.1925-0.0000 ( 2595 PWs) bands (ev): -14.2772 -14.2772 -14.0139 -14.0139 -5.1026 -5.1026 -4.9026 -4.9026 -1.2016 -1.2016 -0.2937 -0.2937 0.4417 0.4417 1.0146 1.0146 1.5687 1.5687 1.8400 1.8400 8.7858 8.7858 9.3019 9.3019 9.8175 9.8175 10.2248 10.2248 10.6514 10.6514 11.0286 11.0286 13.9253 13.9253 16.5645 16.5645 17.2280 17.2280 17.7508 17.7508 k = 0.3431 0.1981-0.0000 ( 2603 PWs) bands (ev): -14.2604 -14.2604 -14.0085 -14.0085 -5.1348 -5.1348 -4.8775 -4.8775 -1.2411 -1.2411 -0.2972 -0.2972 0.3980 0.3980 0.9881 0.9881 1.5537 1.5537 1.8357 1.8357 8.7720 8.7720 9.2855 9.2855 9.8047 9.8047 10.2507 10.2507 10.6779 10.6779 11.0508 11.0508 13.8972 13.8972 16.5829 16.5829 17.1470 17.1470 17.8488 17.8488 k = 0.3529 0.2038-0.0000 ( 2601 PWs) bands (ev): -14.2439 -14.2439 -14.0036 -14.0036 -5.1660 -5.1660 -4.8528 -4.8528 -1.2790 -1.2790 -0.3005 -0.3005 0.3560 0.3560 0.9627 0.9627 1.5394 1.5394 1.8316 1.8316 8.7588 8.7588 9.2698 9.2698 9.7922 9.7922 10.2756 10.2756 10.7032 10.7032 11.0727 11.0727 13.8680 13.8680 16.6026 16.6026 17.0686 17.0686 17.9473 17.9473 k = 0.3627 0.2094-0.0000 ( 2597 PWs) bands (ev): -14.2279 -14.2279 -13.9991 -13.9991 -5.1960 -5.1960 -4.8288 -4.8288 -1.3153 -1.3153 -0.3035 -0.3035 0.3159 0.3159 0.9387 0.9387 1.5257 1.5257 1.8277 1.8277 8.7464 8.7464 9.2550 9.2550 9.7802 9.7802 10.2995 10.2995 10.7272 10.7272 11.0941 11.0941 13.8379 13.8379 16.6235 16.6235 16.9934 16.9934 18.0453 18.0453 k = 0.3725 0.2151-0.0000 ( 2593 PWs) bands (ev): -14.2123 -14.2123 -13.9951 -13.9951 -5.2245 -5.2245 -4.8056 -4.8056 -1.3498 -1.3498 -0.3063 -0.3063 0.2777 0.2777 0.9161 0.9161 1.5127 1.5127 1.8241 1.8241 8.7347 8.7347 9.2410 9.2410 9.7688 9.7688 10.3223 10.3223 10.7498 10.7498 11.1148 11.1148 13.8074 13.8074 16.6453 16.6453 16.9218 16.9218 18.1423 18.1423 k = 0.3824 0.2208-0.0000 ( 2595 PWs) bands (ev): -14.1973 -14.1973 -13.9917 -13.9917 -5.2515 -5.2515 -4.7833 -4.7833 -1.3823 -1.3823 -0.3088 -0.3088 0.2416 0.2416 0.8950 0.8950 1.5005 1.5005 1.8207 1.8207 8.7237 8.7237 9.2278 9.2278 9.7581 9.7581 10.3440 10.3440 10.7710 10.7710 11.1348 11.1348 13.7768 13.7768 16.6675 16.6675 16.8544 16.8544 18.2377 18.2377 k = 0.3922 0.2264-0.0000 ( 2593 PWs) bands (ev): -14.1829 -14.1829 -13.9887 -13.9887 -5.2767 -5.2767 -4.7622 -4.7622 -1.4128 -1.4128 -0.3109 -0.3109 0.2077 0.2077 0.8753 0.8753 1.4891 1.4891 1.8175 1.8175 8.7136 8.7136 9.2156 9.2156 9.7481 9.7481 10.3644 10.3644 10.7907 10.7907 11.1537 11.1537 13.7465 13.7465 16.6893 16.6893 16.7918 16.7918 18.3306 18.3306 k = 0.4020 0.2321-0.0000 ( 2593 PWs) bands (ev): -14.1692 -14.1692 -13.9863 -13.9863 -5.3002 -5.3002 -4.7423 -4.7423 -1.4410 -1.4410 -0.3128 -0.3128 0.1761 0.1761 0.8571 0.8571 1.4786 1.4786 1.8145 1.8145 8.7042 8.7042 9.2044 9.2044 9.7389 9.7389 10.3836 10.3836 10.8089 10.8089 11.1715 11.1715 13.7169 13.7169 16.7058 16.7058 16.7389 16.7389 18.4203 18.4203 k = 0.4118 0.2377-0.0000 ( 2591 PWs) bands (ev): -14.1563 -14.1563 -13.9844 -13.9844 -5.3217 -5.3217 -4.7239 -4.7239 -1.4670 -1.4670 -0.3143 -0.3143 0.1470 0.1470 0.8406 0.8406 1.4690 1.4690 1.8119 1.8119 8.6957 8.6957 9.1941 9.1941 9.7305 9.7305 10.4013 10.4013 10.8255 10.8255 11.1880 11.1880 13.6885 13.6885 16.6739 16.6739 16.7387 16.7387 18.5060 18.5060 k = 0.4216 0.2434-0.0000 ( 2593 PWs) bands (ev): -14.1443 -14.1443 -13.9830 -13.9830 -5.3412 -5.3412 -4.7070 -4.7070 -1.4905 -1.4905 -0.3156 -0.3156 0.1205 0.1205 0.8257 0.8257 1.4603 1.4603 1.8094 1.8094 8.6880 8.6880 9.1849 9.1849 9.7230 9.7230 10.4176 10.4176 10.8406 10.8406 11.2031 11.2031 13.6617 13.6617 16.6267 16.6267 16.7578 16.7578 18.5867 18.5867 k = 0.4314 0.2491-0.0000 ( 2597 PWs) bands (ev): -14.1333 -14.1333 -13.9820 -13.9820 -5.3586 -5.3586 -4.6918 -4.6918 -1.5116 -1.5116 -0.3165 -0.3165 0.0967 0.0967 0.8125 0.8125 1.4525 1.4525 1.8073 1.8073 8.6812 8.6812 9.1767 9.1767 9.7163 9.7163 10.4322 10.4322 10.8539 10.8539 11.2167 11.2167 13.6370 13.6370 16.5836 16.5836 16.7766 16.7766 18.6616 18.6616 k = 0.4412 0.2547-0.0000 ( 2591 PWs) bands (ev): -14.1233 -14.1233 -13.9815 -13.9815 -5.3739 -5.3739 -4.6784 -4.6784 -1.5300 -1.5300 -0.3173 -0.3173 0.0757 0.0757 0.8009 0.8009 1.4458 1.4458 1.8054 1.8054 8.6753 8.6753 9.1695 9.1695 9.7105 9.7105 10.4452 10.4452 10.8656 10.8656 11.2287 11.2287 13.6147 13.6147 16.5457 16.5457 16.7939 16.7939 18.7295 18.7295 k = 0.4510 0.2604-0.0000 ( 2589 PWs) bands (ev): -14.1145 -14.1145 -13.9813 -13.9813 -5.3869 -5.3869 -4.6668 -4.6668 -1.5457 -1.5457 -0.3178 -0.3178 0.0577 0.0577 0.7911 0.7911 1.4400 1.4400 1.8038 1.8038 8.6703 8.6703 9.1634 9.1634 9.7056 9.7056 10.4564 10.4564 10.8756 10.8756 11.2390 11.2390 13.5951 13.5951 16.5133 16.5133 16.8091 16.8091 18.7894 18.7894 k = 0.4608 0.2660-0.0000 ( 2588 PWs) bands (ev): -14.1070 -14.1070 -13.9813 -13.9813 -5.3976 -5.3976 -4.6572 -4.6572 -1.5587 -1.5587 -0.3181 -0.3181 0.0427 0.0427 0.7831 0.7831 1.4353 1.4353 1.8025 1.8025 8.6661 8.6661 9.1584 9.1584 9.7016 9.7016 10.4657 10.4657 10.8838 10.8838 11.2475 11.2475 13.5786 13.5786 16.4866 16.4866 16.8219 16.8219 18.8403 18.8403 k = 0.4706 0.2717-0.0000 ( 2588 PWs) bands (ev): -14.1010 -14.1010 -13.9815 -13.9815 -5.4060 -5.4060 -4.6497 -4.6497 -1.5689 -1.5689 -0.3183 -0.3183 0.0310 0.0310 0.7768 0.7768 1.4316 1.4316 1.8015 1.8015 8.6629 8.6629 9.1545 9.1545 9.6985 9.6985 10.4730 10.4730 10.8903 10.8903 11.2542 11.2542 13.5655 13.5655 16.4657 16.4657 16.8322 16.8322 18.8811 18.8811 k = 0.4804 0.2774-0.0000 ( 2588 PWs) bands (ev): -14.0966 -14.0966 -13.9818 -13.9818 -5.4120 -5.4120 -4.6442 -4.6442 -1.5762 -1.5762 -0.3184 -0.3184 0.0225 0.0225 0.7723 0.7723 1.4289 1.4289 1.8007 1.8007 8.6606 8.6606 9.1517 9.1517 9.6963 9.6963 10.4782 10.4782 10.8949 10.8949 11.2590 11.2590 13.5560 13.5560 16.4507 16.4507 16.8396 16.8396 18.9109 18.9109 k = 0.4902 0.2830-0.0000 ( 2588 PWs) bands (ev): -14.0939 -14.0939 -13.9819 -13.9819 -5.4157 -5.4157 -4.6410 -4.6410 -1.5806 -1.5806 -0.3184 -0.3184 0.0174 0.0174 0.7696 0.7696 1.4273 1.4273 1.8003 1.8003 8.6592 8.6592 9.1500 9.1500 9.6949 9.6949 10.4814 10.4814 10.8977 10.8977 11.2619 11.2619 13.5503 13.5503 16.4417 16.4417 16.8442 16.8442 18.9291 18.9291 k = 0.5000 0.2887-0.0000 ( 2588 PWs) bands (ev): -14.0930 -14.0930 -13.9820 -13.9820 -5.4169 -5.4169 -4.6399 -4.6399 -1.5820 -1.5820 -0.3184 -0.3184 0.0157 0.0157 0.7687 0.7687 1.4268 1.4268 1.8002 1.8002 8.6587 8.6587 9.1495 9.1495 9.6945 9.6945 10.4825 10.4825 10.8986 10.8986 11.2629 11.2629 13.5483 13.5483 16.4387 16.4387 16.8457 16.8457 18.9353 18.9353 k = 0.5000 0.2887-0.0000 ( 2588 PWs) bands (ev): -14.0930 -14.0930 -13.9820 -13.9820 -5.4169 -5.4169 -4.6399 -4.6399 -1.5820 -1.5820 -0.3184 -0.3184 0.0157 0.0157 0.7687 0.7687 1.4268 1.4268 1.8002 1.8002 8.6587 8.6587 9.1495 9.1495 9.6945 9.6945 10.4825 10.4825 10.8986 10.8986 11.2629 11.2629 13.5483 13.5483 16.4387 16.4387 16.8457 16.8457 18.9353 18.9353 k = 0.4943 0.2986-0.0000 ( 2592 PWs) bands (ev): -14.0928 -14.0928 -13.9819 -13.9819 -5.4170 -5.4170 -4.6396 -4.6396 -1.5816 -1.5816 -0.3206 -0.3206 0.0166 0.0166 0.7677 0.7677 1.4278 1.4278 1.7977 1.7977 8.6625 8.6625 9.1508 9.1508 9.6950 9.6950 10.4823 10.4823 10.8974 10.8974 11.2608 11.2608 13.5522 13.5522 16.4413 16.4413 16.8440 16.8440 18.9347 18.9347 k = 0.4885 0.3086-0.0000 ( 2588 PWs) bands (ev): -14.0922 -14.0922 -13.9817 -13.9817 -5.4176 -5.4176 -4.6387 -4.6387 -1.5803 -1.5803 -0.3272 -0.3272 0.0193 0.0193 0.7646 0.7646 1.4308 1.4308 1.7904 1.7904 8.6736 8.6736 9.1547 9.1547 9.6964 9.6964 10.4816 10.4816 10.8941 10.8941 11.2546 11.2546 13.5638 13.5638 16.4493 16.4493 16.8388 16.8388 18.9332 18.9332 k = 0.4828 0.3185-0.0000 ( 2588 PWs) bands (ev): -14.0912 -14.0912 -13.9813 -13.9813 -5.4184 -5.4184 -4.6372 -4.6372 -1.5782 -1.5782 -0.3378 -0.3378 0.0237 0.0237 0.7596 0.7596 1.4357 1.4357 1.7784 1.7784 8.6919 8.6919 9.1612 9.1612 9.6988 9.6988 10.4806 10.4806 10.8885 10.8885 11.2444 11.2444 13.5831 13.5831 16.4625 16.4625 16.8303 16.8303 18.9308 18.9308 k = 0.4770 0.3285-0.0000 ( 2588 PWs) bands (ev): -14.0898 -14.0898 -13.9807 -13.9807 -5.4196 -5.4196 -4.6352 -4.6352 -1.5752 -1.5752 -0.3523 -0.3523 0.0296 0.0296 0.7524 0.7524 1.4423 1.4423 1.7618 1.7618 8.7172 8.7172 9.1704 9.1704 9.7022 9.7022 10.4790 10.4790 10.8807 10.8807 11.2301 11.2301 13.6099 13.6099 16.4810 16.4810 16.8183 16.8183 18.9279 18.9279 k = 0.4713 0.3384-0.0000 ( 2584 PWs) bands (ev): -14.0881 -14.0881 -13.9800 -13.9800 -5.4211 -5.4211 -4.6326 -4.6326 -1.5715 -1.5715 -0.3702 -0.3702 0.0369 0.0369 0.7432 0.7432 1.4506 1.4506 1.7411 1.7411 8.7493 8.7493 9.1820 9.1820 9.7066 9.7066 10.4770 10.4770 10.8710 10.8710 11.2119 11.2119 13.6441 13.6441 16.5046 16.5046 16.8028 16.8028 18.9250 18.9250 k = 0.4655 0.3484-0.0000 ( 2576 PWs) bands (ev): -14.0859 -14.0859 -13.9792 -13.9792 -5.4230 -5.4230 -4.6295 -4.6295 -1.5669 -1.5669 -0.3911 -0.3911 0.0456 0.0456 0.7319 0.7319 1.4600 1.4600 1.7166 1.7166 8.7878 8.7878 9.1962 9.1962 9.7118 9.7118 10.4744 10.4744 10.8593 10.8593 11.1900 11.1900 13.6855 13.6855 16.5333 16.5333 16.7837 16.7837 18.9224 18.9224 k = 0.4598 0.3584-0.0000 ( 2580 PWs) bands (ev): -14.0835 -14.0835 -13.9783 -13.9783 -5.4252 -5.4252 -4.6259 -4.6259 -1.5616 -1.5616 -0.4145 -0.4145 0.0553 0.0553 0.7186 0.7186 1.4702 1.4702 1.6890 1.6890 8.8321 8.8321 9.2128 9.2128 9.7180 9.7180 10.4713 10.4713 10.8457 10.8457 11.1643 11.1643 13.7339 13.7339 16.5670 16.5670 16.7610 16.7610 18.9209 18.9209 k = 0.4540 0.3683-0.0000 ( 2572 PWs) bands (ev): -14.0806 -14.0806 -13.9773 -13.9773 -5.4277 -5.4277 -4.6218 -4.6218 -1.5555 -1.5555 -0.4400 -0.4400 0.0661 0.0661 0.7035 0.7035 1.4799 1.4799 1.6595 1.6595 8.8819 8.8819 9.2318 9.2318 9.7251 9.7251 10.4675 10.4675 10.8305 10.8305 11.1353 11.1353 13.7890 13.7890 16.6056 16.6056 16.7348 16.7348 18.9209 18.9209 k = 0.4483 0.3783-0.0000 ( 2570 PWs) bands (ev): -14.0775 -14.0775 -13.9761 -13.9761 -5.4305 -5.4305 -4.6173 -4.6173 -1.5488 -1.5488 -0.4672 -0.4672 0.0778 0.0778 0.6867 0.6867 1.4874 1.4874 1.6301 1.6301 8.9365 8.9365 9.2532 9.2532 9.7331 9.7331 10.4631 10.4631 10.8138 10.8138 11.1029 11.1029 13.8506 13.8506 16.6489 16.6489 16.7051 16.7051 18.9232 18.9232 k = 0.4425 0.3882-0.0000 ( 2570 PWs) bands (ev): -14.0740 -14.0740 -13.9750 -13.9750 -5.4337 -5.4337 -4.6123 -4.6123 -1.5414 -1.5414 -0.4958 -0.4958 0.0902 0.0902 0.6684 0.6684 1.4881 1.4881 1.6053 1.6053 8.9952 8.9952 9.2770 9.2770 9.7419 9.7419 10.4579 10.4579 10.7956 10.7956 11.0675 11.0675 13.9182 13.9182 16.6710 16.6710 16.6975 16.6975 18.9283 18.9283 k = 0.4368 0.3982-0.0000 ( 2570 PWs) bands (ev): -14.0702 -14.0702 -13.9738 -13.9738 -5.4371 -5.4371 -4.6069 -4.6069 -1.5334 -1.5334 -0.5253 -0.5253 0.1033 0.1033 0.6491 0.6491 1.4753 1.4753 1.5920 1.5920 9.0574 9.0574 9.3032 9.3032 9.7516 9.7516 10.4518 10.4518 10.7762 10.7762 11.0293 11.0293 13.9916 13.9916 16.6344 16.6344 16.7496 16.7496 18.9366 18.9366 k = 0.4310 0.4081-0.0000 ( 2576 PWs) bands (ev): -14.0662 -14.0662 -13.9726 -13.9726 -5.4408 -5.4408 -4.6013 -4.6013 -1.5249 -1.5249 -0.5554 -0.5554 0.1168 0.1168 0.6291 0.6291 1.4473 1.4473 1.5922 1.5922 9.1223 9.1223 9.3320 9.3320 9.7620 9.7620 10.4449 10.4449 10.7556 10.7556 10.9885 10.9885 14.0704 14.0704 16.5941 16.5941 16.8062 16.8062 18.9487 18.9487 k = 0.4253 0.4181-0.0000 ( 2584 PWs) bands (ev): -14.0619 -14.0619 -13.9714 -13.9714 -5.4447 -5.4447 -4.5953 -4.5953 -1.5158 -1.5158 -0.5858 -0.5858 0.1306 0.1306 0.6090 0.6090 1.4093 1.4093 1.6006 1.6006 9.1887 9.1887 9.3637 9.3637 9.7732 9.7732 10.4369 10.4369 10.7341 10.7341 10.9455 10.9455 14.1541 14.1541 16.5506 16.5506 16.8669 16.8669 18.9647 18.9647 k = 0.4195 0.4280-0.0000 ( 2572 PWs) bands (ev): -14.0574 -14.0574 -13.9702 -13.9702 -5.4488 -5.4488 -4.5891 -4.5891 -1.5064 -1.5064 -0.6162 -0.6162 0.1444 0.1444 0.5892 0.5892 1.3659 1.3659 1.6127 1.6127 9.2550 9.2550 9.3992 9.3992 9.7852 9.7852 10.4277 10.4277 10.7117 10.7117 10.9005 10.9005 14.2422 14.2422 16.5040 16.5040 16.9314 16.9314 18.9838 18.9838 k = 0.4138 0.4380-0.0000 ( 2572 PWs) bands (ev): -14.0527 -14.0527 -13.9692 -13.9692 -5.4532 -5.4532 -4.5828 -4.5828 -1.4966 -1.4966 -0.6464 -0.6464 0.1578 0.1578 0.5706 0.5706 1.3196 1.3196 1.6263 1.6263 9.3192 9.3192 9.4400 9.4400 9.7978 9.7978 10.4172 10.4172 10.6885 10.6885 10.8540 10.8540 14.3343 14.3343 16.4545 16.4545 16.9994 16.9994 19.0025 19.0026 k = 0.4080 0.4479-0.0000 ( 2576 PWs) bands (ev): -14.0478 -14.0478 -13.9683 -13.9683 -5.4576 -5.4576 -4.5764 -4.5764 -1.4866 -1.4866 -0.6761 -0.6761 0.1705 0.1705 0.5538 0.5538 1.2716 1.2716 1.6403 1.6403 9.3780 9.3780 9.4883 9.4883 9.8110 9.8110 10.4052 10.4052 10.6646 10.6646 10.8063 10.8063 14.4297 14.4297 16.4024 16.4024 17.0706 17.0706 19.0040 19.0040 k = 0.4023 0.4579-0.0000 ( 2580 PWs) bands (ev): -14.0428 -14.0428 -13.9675 -13.9675 -5.4622 -5.4622 -4.5699 -4.5699 -1.4764 -1.4764 -0.7051 -0.7051 0.1818 0.1818 0.5396 0.5396 1.2226 1.2226 1.6541 1.6541 9.4298 9.4298 9.5455 9.5455 9.8247 9.8247 10.3916 10.3916 10.6401 10.6401 10.7579 10.7579 14.5279 14.5279 16.3481 16.3481 17.1448 17.1448 18.9743 18.9743 k = 0.3966 0.4679-0.0000 ( 2580 PWs) bands (ev): -14.0376 -14.0376 -13.9669 -13.9669 -5.4668 -5.4668 -4.5634 -4.5634 -1.4661 -1.4661 -0.7332 -0.7332 0.1912 0.1912 0.5290 0.5290 1.1733 1.1733 1.6674 1.6674 9.4753 9.4753 9.6099 9.6099 9.8389 9.8389 10.3759 10.3759 10.6149 10.6149 10.7095 10.7095 14.6280 14.6280 16.2918 16.2918 17.2214 17.2214 18.9340 18.9340 k = 0.3908 0.4778-0.0000 ( 2576 PWs) bands (ev): -14.0324 -14.0324 -13.9665 -13.9665 -5.4715 -5.4715 -4.5571 -4.5571 -1.4559 -1.4559 -0.7601 -0.7601 0.1984 0.1984 0.5227 0.5227 1.1239 1.1239 1.6798 1.6798 9.5172 9.5172 9.6783 9.6783 9.8534 9.8534 10.3580 10.3580 10.5890 10.5890 10.6618 10.6618 14.7294 14.7294 16.2338 16.2338 17.3001 17.3001 18.8922 18.8922 k = 0.3851 0.4878-0.0000 ( 2576 PWs) bands (ev): -14.0271 -14.0271 -13.9664 -13.9664 -5.4760 -5.4760 -4.5509 -4.5509 -1.4460 -1.4460 -0.7856 -0.7856 0.2028 0.2028 0.5213 0.5213 1.0751 1.0751 1.6913 1.6913 9.5571 9.5571 9.7484 9.7484 9.8681 9.8681 10.3375 10.3375 10.5621 10.5621 10.6159 10.6159 14.8312 14.8312 16.1745 16.1745 17.3802 17.3802 18.8507 18.8507 k = 0.3793 0.4977-0.0000 ( 2572 PWs) bands (ev): -14.0218 -14.0218 -13.9665 -13.9665 -5.4804 -5.4804 -4.5450 -4.5450 -1.4364 -1.4364 -0.8094 -0.8094 0.2045 0.2045 0.5250 0.5250 1.0270 1.0270 1.7017 1.7017 9.5961 9.5961 9.8185 9.8185 9.8829 9.8829 10.3139 10.3139 10.5333 10.5333 10.5735 10.5735 14.9325 14.9325 16.1142 16.1142 17.4611 17.4611 18.8101 18.8101 k = 0.3736 0.5077-0.0000 ( 2572 PWs) bands (ev): -14.0166 -14.0166 -13.9670 -13.9670 -5.4847 -5.4847 -4.5395 -4.5395 -1.4273 -1.4273 -0.8315 -0.8315 0.2039 0.2039 0.5338 0.5338 0.9800 0.9800 1.7109 1.7109 9.6345 9.6345 9.8862 9.8862 9.8987 9.8987 10.2872 10.2872 10.5016 10.5016 10.5362 10.5362 15.0322 15.0322 16.0533 16.0533 17.5419 17.5419 18.7699 18.7699 k = 0.3678 0.5176-0.0000 ( 2570 PWs) bands (ev): -14.0113 -14.0113 -13.9679 -13.9679 -5.4886 -5.4886 -4.5344 -4.5344 -1.4189 -1.4189 -0.8514 -0.8514 0.2016 0.2016 0.5470 0.5470 0.9345 0.9345 1.7189 1.7189 9.6725 9.6725 9.9099 9.9099 9.9563 9.9563 10.2573 10.2573 10.4677 10.4677 10.5042 10.5042 15.1292 15.1292 15.9921 15.9921 17.6213 17.6213 18.7275 18.7275 k = 0.3621 0.5276-0.0000 ( 2570 PWs) bands (ev): -14.0062 -14.0062 -13.9692 -13.9692 -5.4922 -5.4922 -4.5299 -4.5299 -1.4115 -1.4115 -0.8689 -0.8689 0.1982 0.1982 0.5640 0.5640 0.8909 0.8909 1.7256 1.7256 9.7101 9.7101 9.9220 9.9220 10.0217 10.0217 10.2250 10.2250 10.4340 10.4340 10.4754 10.4754 15.2224 15.2224 15.9311 15.9311 17.6976 17.6976 18.6753 18.6754 k = 0.3563 0.5375-0.0000 ( 2572 PWs) bands (ev): -14.0012 -14.0012 -13.9709 -13.9709 -5.4953 -5.4953 -4.5259 -4.5259 -1.4052 -1.4052 -0.8837 -0.8837 0.1946 0.1946 0.5839 0.5839 0.8496 0.8496 1.7310 1.7310 9.7472 9.7472 9.9311 9.9311 10.0847 10.0847 10.1919 10.1919 10.4019 10.4019 10.4483 10.4483 15.3104 15.3104 15.8707 15.8707 17.7685 17.7685 18.6198 18.6198 k = 0.3506 0.5475-0.0000 ( 2576 PWs) bands (ev): -13.9963 -13.9963 -13.9731 -13.9731 -5.4979 -5.4979 -4.5227 -4.5227 -1.4001 -1.4001 -0.8955 -0.8955 0.1912 0.1912 0.6059 0.6059 0.8112 0.8112 1.7351 1.7351 9.7837 9.7837 9.9349 9.9349 10.1444 10.1444 10.1612 10.1612 10.3721 10.3721 10.4222 10.4222 15.3916 15.3916 15.8119 15.8119 17.8304 17.8304 18.5735 18.5735 k = 0.3448 0.5574-0.0000 ( 2588 PWs) bands (ev): -13.9916 -13.9916 -13.9758 -13.9758 -5.4999 -5.4999 -4.5203 -4.5203 -1.3965 -1.3965 -0.9041 -0.9041 0.1885 0.1885 0.6284 0.6284 0.7770 0.7770 1.7380 1.7380 9.8193 9.8193 9.9303 9.9303 10.1362 10.1362 10.2005 10.2005 10.3446 10.3446 10.3971 10.3971 15.4636 15.4636 15.7564 15.7564 17.8788 17.8788 18.5429 18.5429 k = 0.3391 0.5674-0.0000 ( 2600 PWs) bands (ev): -13.9871 -13.9871 -13.9791 -13.9791 -5.5011 -5.5011 -4.5188 -4.5188 -1.3943 -1.3943 -0.9094 -0.9094 0.1868 0.1868 0.6485 0.6485 0.7500 0.7500 1.7397 1.7397 9.8538 9.8538 9.9143 9.9143 10.1214 10.1214 10.2494 10.2494 10.3205 10.3205 10.3745 10.3745 15.5206 15.5206 15.7095 15.7095 17.9090 17.9090 18.5320 18.5320 k = 0.3333 0.5774-0.0000 ( 2598 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.5015 -5.5015 -4.5183 -4.5183 -1.3936 -1.3936 -0.9111 -0.9111 0.1862 0.1862 0.6577 0.6577 0.7384 0.7384 1.7403 1.7403 9.8852 9.8852 9.8886 9.8886 10.1170 10.1170 10.2745 10.2745 10.3089 10.3089 10.3617 10.3617 15.5453 15.5453 15.6882 15.6882 17.9188 17.9188 18.5352 18.5352 k = 0.3333 0.5774-0.0000 ( 2598 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.5015 -5.5015 -4.5183 -4.5183 -1.3936 -1.3936 -0.9111 -0.9111 0.1862 0.1862 0.6577 0.6577 0.7384 0.7384 1.7403 1.7403 9.8852 9.8852 9.8886 9.8886 10.1170 10.1170 10.2745 10.2745 10.3089 10.3089 10.3617 10.3617 15.5453 15.5453 15.6882 15.6882 17.9188 17.9188 18.5352 18.5352 k = 0.3276 0.5674-0.0000 ( 2594 PWs) bands (ev): -13.9873 -13.9873 -13.9789 -13.9789 -5.5011 -5.5011 -4.5189 -4.5189 -1.3943 -1.3943 -0.9094 -0.9094 0.1868 0.1868 0.6491 0.6491 0.7493 0.7493 1.7398 1.7398 9.8510 9.8510 9.9181 9.9181 10.1202 10.1202 10.2608 10.2608 10.3029 10.3029 10.3809 10.3809 15.5234 15.5234 15.7067 15.7067 17.9104 17.9104 18.5233 18.5233 k = 0.3218 0.5574-0.0000 ( 2598 PWs) bands (ev): -13.9923 -13.9923 -13.9753 -13.9753 -5.4996 -5.4996 -4.5206 -4.5206 -1.3960 -1.3960 -0.9043 -0.9043 0.1884 0.1884 0.6321 0.6321 0.7735 0.7735 1.7382 1.7382 9.8103 9.8103 9.9469 9.9469 10.1272 10.1272 10.2407 10.2407 10.2843 10.2843 10.4187 10.4187 15.4785 15.4785 15.7417 15.7417 17.8889 17.8889 18.5026 18.5026 k = 0.3161 0.5475-0.0000 ( 2582 PWs) bands (ev): -13.9980 -13.9980 -13.9719 -13.9719 -5.4971 -5.4971 -4.5235 -4.5235 -1.3986 -1.3986 -0.8959 -0.8959 0.1909 0.1909 0.6148 0.6148 0.8029 0.8029 1.7358 1.7358 9.7671 9.7671 9.9722 9.9722 10.1340 10.1340 10.2229 10.2229 10.2641 10.2641 10.4578 10.4578 15.4276 15.4276 15.7767 15.7767 17.8597 17.8597 18.4816 18.4816 k = 0.3103 0.5375-0.0000 ( 2570 PWs) bands (ev): -14.0043 -14.0043 -13.9690 -13.9690 -5.4934 -5.4934 -4.5276 -4.5276 -1.4016 -1.4016 -0.8846 -0.8846 0.1942 0.1942 0.6004 0.6004 0.8345 0.8345 1.7325 1.7325 9.7231 9.7231 9.9929 9.9929 10.1356 10.1356 10.2119 10.2119 10.2462 10.2462 10.4949 10.4949 15.3753 15.3753 15.8078 15.8078 17.8272 17.8272 18.4617 18.4617 k = 0.3046 0.5276-0.0000 ( 2570 PWs) bands (ev): -14.0113 -14.0113 -13.9664 -13.9664 -5.4884 -5.4884 -4.5331 -4.5331 -1.4048 -1.4048 -0.8705 -0.8705 0.1980 0.1980 0.5898 0.5898 0.8674 0.8674 1.7285 1.7285 9.6791 9.6791 10.0071 10.0071 10.1272 10.1272 10.2105 10.2105 10.2339 10.2339 10.5292 10.5292 15.3232 15.3232 15.8342 15.8342 17.7941 17.7941 18.4432 18.4432 k = 0.2989 0.5176-0.0000 ( 2572 PWs) bands (ev): -14.0190 -14.0190 -13.9642 -13.9642 -5.4822 -5.4822 -4.5400 -4.5400 -1.4076 -1.4076 -0.8541 -0.8541 0.2021 0.2021 0.5836 0.5836 0.9011 0.9011 1.7239 1.7239 9.6360 9.6360 10.0129 10.0129 10.1104 10.1104 10.2137 10.2137 10.2323 10.2323 10.5604 10.5604 15.2719 15.2719 15.8562 15.8562 17.7625 17.7625 18.4260 18.4260 k = 0.2931 0.5077-0.0000 ( 2574 PWs) bands (ev): -14.0274 -14.0274 -13.9625 -13.9625 -5.4746 -5.4746 -4.5483 -4.5483 -1.4099 -1.4099 -0.8355 -0.8355 0.2065 0.2065 0.5821 0.5821 0.9354 0.9354 1.7188 1.7188 9.5942 9.5942 10.0096 10.0096 10.0888 10.0888 10.2174 10.2174 10.2425 10.2425 10.5883 10.5883 15.2217 15.2217 15.8746 15.8746 17.7334 17.7334 18.4102 18.4102 k = 0.2874 0.4977-0.0000 ( 2574 PWs) bands (ev): -14.0364 -14.0364 -13.9612 -13.9612 -5.4655 -5.4655 -4.5580 -4.5580 -1.4111 -1.4111 -0.8152 -0.8152 0.2112 0.2112 0.5853 0.5853 0.9701 0.9701 1.7133 1.7133 9.5540 9.5540 9.9982 9.9982 10.0648 10.0648 10.2248 10.2248 10.2577 10.2577 10.6131 10.6131 15.1728 15.1728 15.8903 15.8903 17.7080 17.7080 18.3957 18.3957 k = 0.2816 0.4878-0.0000 ( 2584 PWs) bands (ev): -14.0462 -14.0462 -13.9604 -13.9604 -5.4550 -5.4550 -4.5692 -4.5692 -1.4111 -1.4111 -0.7933 -0.7933 0.2163 0.2163 0.5931 0.5931 1.0050 1.0050 1.7075 1.7075 9.5158 9.5158 9.9806 9.9806 10.0395 10.0395 10.2358 10.2358 10.2747 10.2747 10.6347 10.6347 15.1251 15.1251 15.9039 15.9039 17.6867 17.6867 18.3824 18.3824 k = 0.2759 0.4778-0.0000 ( 2588 PWs) bands (ev): -14.0567 -14.0567 -13.9600 -13.9600 -5.4429 -5.4429 -4.5818 -4.5818 -1.4095 -1.4095 -0.7700 -0.7700 0.2220 0.2220 0.6052 0.6052 1.0399 1.0399 1.7016 1.7016 9.4797 9.4797 9.9589 9.9589 10.0133 10.0133 10.2488 10.2488 10.2926 10.2926 10.6532 10.6532 15.0789 15.0789 15.9164 15.9164 17.6700 17.6700 18.3701 18.3701 k = 0.2701 0.4679-0.0000 ( 2595 PWs) bands (ev): -14.0678 -14.0678 -13.9601 -13.9601 -5.4292 -5.4292 -4.5959 -4.5959 -1.4063 -1.4063 -0.7458 -0.7458 0.2285 0.2285 0.6213 0.6213 1.0748 1.0748 1.6957 1.6957 9.4459 9.4459 9.9345 9.9345 9.9867 9.9867 10.2623 10.2623 10.3108 10.3108 10.6687 10.6687 15.0340 15.0340 15.9283 15.9283 17.6584 17.6584 18.3579 18.3579 k = 0.2644 0.4579-0.0000 ( 2591 PWs) bands (ev): -14.0796 -14.0796 -13.9608 -13.9608 -5.4140 -5.4140 -4.6114 -4.6114 -1.4011 -1.4011 -0.7207 -0.7207 0.2362 0.2362 0.6410 0.6410 1.1096 1.1096 1.6899 1.6899 9.4146 9.4146 9.9084 9.9084 9.9600 9.9600 10.2755 10.2755 10.3291 10.3291 10.6813 10.6813 14.9904 14.9904 15.9403 15.9403 17.6520 17.6520 18.3416 18.3416 k = 0.2586 0.4479-0.0000 ( 2583 PWs) bands (ev): -14.0921 -14.0921 -13.9619 -13.9619 -5.3972 -5.3972 -4.6282 -4.6282 -1.3938 -1.3938 -0.6950 -0.6950 0.2454 0.2454 0.6639 0.6639 1.1442 1.1442 1.6843 1.6843 9.3860 9.3860 9.8810 9.8810 9.9332 9.9332 10.2876 10.2876 10.3475 10.3475 10.6910 10.6910 14.9482 14.9482 15.9530 15.9530 17.6511 17.6511 18.2951 18.2951 k = 0.2529 0.4380-0.0000 ( 2579 PWs) bands (ev): -14.1052 -14.1052 -13.9635 -13.9635 -5.3787 -5.3787 -4.6464 -4.6464 -1.3844 -1.3844 -0.6689 -0.6689 0.2562 0.2562 0.6895 0.6895 1.1785 1.1785 1.6791 1.6791 9.3601 9.3601 9.8529 9.8529 9.9065 9.9065 10.2984 10.2984 10.3658 10.3658 10.6980 10.6980 14.9072 14.9072 15.9666 15.9666 17.6558 17.6558 18.2145 18.2145 k = 0.2471 0.4280-0.0000 ( 2583 PWs) bands (ev): -14.1190 -14.1190 -13.9656 -13.9656 -5.3586 -5.3586 -4.6658 -4.6658 -1.3727 -1.3727 -0.6426 -0.6426 0.2690 0.2690 0.7176 0.7176 1.2124 1.2124 1.6744 1.6744 9.3370 9.3370 9.8244 9.8244 9.8800 9.8800 10.3074 10.3074 10.3839 10.3839 10.7024 10.7024 14.8674 14.8674 15.9817 15.9817 17.6662 17.6662 18.1264 18.1264 k = 0.2414 0.4181-0.0000 ( 2595 PWs) bands (ev): -14.1333 -14.1333 -13.9682 -13.9682 -5.3369 -5.3369 -4.6865 -4.6865 -1.3588 -1.3588 -0.6163 -0.6163 0.2839 0.2839 0.7478 0.7478 1.2458 1.2458 1.6703 1.6703 9.3169 9.3169 9.7956 9.7956 9.8538 9.8538 10.3147 10.3147 10.4018 10.4018 10.7043 10.7043 14.8287 14.8287 15.9982 15.9982 17.6825 17.6825 18.0363 18.0363 k = 0.2356 0.4081-0.0000 ( 2599 PWs) bands (ev): -14.1481 -14.1481 -13.9713 -13.9713 -5.3137 -5.3137 -4.7082 -4.7082 -1.3424 -1.3424 -0.5902 -0.5902 0.3010 0.3010 0.7799 0.7799 1.2787 1.2787 1.6669 1.6669 9.2997 9.2997 9.7668 9.7668 9.8278 9.8278 10.3200 10.3200 10.4194 10.4194 10.7038 10.7038 14.7911 14.7911 16.0165 16.0165 17.7045 17.7045 17.9456 17.9456 k = 0.2299 0.3982-0.0000 ( 2607 PWs) bands (ev): -14.1635 -14.1635 -13.9749 -13.9749 -5.2889 -5.2889 -4.7311 -4.7311 -1.3237 -1.3237 -0.5644 -0.5644 0.3204 0.3204 0.8134 0.8134 1.3110 1.3110 1.6643 1.6643 9.2855 9.2855 9.7381 9.7381 9.8022 9.8022 10.3233 10.3233 10.4368 10.4368 10.7011 10.7011 14.7545 14.7545 16.0366 16.0366 17.7322 17.7322 17.8551 17.8551 k = 0.2241 0.3882-0.0000 ( 2611 PWs) bands (ev): -14.1794 -14.1794 -13.9790 -13.9790 -5.2627 -5.2627 -4.7548 -4.7548 -1.3027 -1.3027 -0.5391 -0.5391 0.3423 0.3423 0.8483 0.8483 1.3427 1.3427 1.6626 1.6626 9.2743 9.2743 9.7097 9.7097 9.7770 9.7770 10.3246 10.3246 10.4538 10.4538 10.6961 10.6961 14.7189 14.7189 16.0584 16.0584 17.7574 17.7574 17.7736 17.7736 k = 0.2184 0.3783-0.0000 ( 2611 PWs) bands (ev): -14.1957 -14.1957 -13.9835 -13.9835 -5.2350 -5.2350 -4.7795 -4.7795 -1.2793 -1.2793 -0.5145 -0.5145 0.3665 0.3665 0.8843 0.8843 1.3738 1.3738 1.6619 1.6619 9.2661 9.2661 9.6816 9.6816 9.7523 9.7523 10.3240 10.3240 10.4706 10.4706 10.6891 10.6891 14.6843 14.6843 16.0819 16.0819 17.6747 17.6747 17.8066 17.8066 k = 0.2126 0.3683-0.0000 ( 2601 PWs) bands (ev): -14.2125 -14.2125 -13.9884 -13.9884 -5.2059 -5.2059 -4.8048 -4.8048 -1.2537 -1.2537 -0.4906 -0.4906 0.3932 0.3932 0.9211 0.9211 1.4041 1.4041 1.6624 1.6624 9.2610 9.2610 9.6539 9.6539 9.7282 9.7282 10.3214 10.3214 10.4870 10.4870 10.6802 10.6802 14.6506 14.6506 16.1068 16.1068 17.5869 17.5869 17.8517 17.8517 k = 0.2069 0.3584-0.0000 ( 2601 PWs) bands (ev): -14.2295 -14.2295 -13.9938 -13.9938 -5.1756 -5.1756 -4.8309 -4.8309 -1.2258 -1.2258 -0.4675 -0.4675 0.4223 0.4223 0.9585 0.9585 1.4336 1.4336 1.6639 1.6639 9.2588 9.2588 9.6266 9.6266 9.7047 9.7047 10.3169 10.3169 10.5029 10.5029 10.6695 10.6695 14.6179 14.6179 16.1329 16.1329 17.5003 17.5003 17.9025 17.9025 k = 0.2011 0.3484-0.0000 ( 2605 PWs) bands (ev): -14.2469 -14.2469 -13.9995 -13.9995 -5.1441 -5.1441 -4.8574 -4.8574 -1.1959 -1.1959 -0.4455 -0.4455 0.4537 0.4537 0.9965 0.9965 1.4624 1.4624 1.6667 1.6667 9.2595 9.2595 9.5998 9.5998 9.6820 9.6820 10.3106 10.3106 10.5183 10.5183 10.6572 10.6572 14.5862 14.5862 16.1598 16.1598 17.4153 17.4153 17.9589 17.9589 k = 0.1954 0.3384-0.0000 ( 2609 PWs) bands (ev): -14.2646 -14.2646 -14.0057 -14.0057 -5.1116 -5.1116 -4.8843 -4.8843 -1.1639 -1.1639 -0.4245 -0.4245 0.4874 0.4874 1.0347 1.0347 1.4904 1.4904 1.6706 1.6706 9.2631 9.2631 9.5733 9.5733 9.6603 9.6603 10.3026 10.3026 10.5329 10.5329 10.6436 10.6436 14.5556 14.5556 16.1869 16.1869 17.3321 17.3321 18.0205 18.0205 k = 0.1897 0.3285-0.0000 ( 2605 PWs) bands (ev): -14.2825 -14.2825 -14.0121 -14.0121 -5.0782 -5.0782 -4.9113 -4.9113 -1.1299 -1.1299 -0.4046 -0.4046 0.5233 0.5233 1.0731 1.0731 1.5177 1.5177 1.6758 1.6758 9.2694 9.2694 9.5472 9.5472 9.6395 9.6395 10.2929 10.2929 10.5460 10.5460 10.6296 10.6296 14.5262 14.5262 16.2138 16.2138 17.2509 17.2509 18.0872 18.0872 k = 0.1839 0.3185-0.0000 ( 2601 PWs) bands (ev): -14.3005 -14.3005 -14.0189 -14.0189 -5.0446 -5.0446 -4.9379 -4.9379 -1.0942 -1.0942 -0.3858 -0.3858 0.5614 0.5614 1.1114 1.1114 1.5442 1.5442 1.6823 1.6823 9.2784 9.2784 9.5214 9.5214 9.6200 9.6200 10.2816 10.2816 10.5556 10.5556 10.6173 10.6173 14.4982 14.4982 16.2396 16.2396 17.1719 17.1719 18.1586 18.1586 k = 0.1782 0.3086-0.0000 ( 2605 PWs) bands (ev): -14.3186 -14.3186 -14.0259 -14.0259 -5.0135 -5.0135 -4.9613 -4.9613 -1.0568 -1.0568 -0.3681 -0.3681 0.6015 0.6015 1.1495 1.1495 1.5700 1.5700 1.6898 1.6898 9.2898 9.2898 9.4958 9.4958 9.6019 9.6019 10.2690 10.2690 10.5564 10.5564 10.6119 10.6119 14.4717 14.4717 16.2634 16.2634 17.0954 17.0954 18.2344 18.2344 k = 0.1724 0.2986-0.0000 ( 2593 PWs) bands (ev): -14.3369 -14.3369 -14.0332 -14.0332 -5.0067 -5.0067 -4.9597 -4.9597 -1.0179 -1.0179 -0.3517 -0.3517 0.6435 0.6435 1.1873 1.1873 1.5951 1.5951 1.6985 1.6985 9.3037 9.3037 9.4702 9.4702 9.5853 9.5853 10.2550 10.2550 10.5450 10.5450 10.6169 10.6169 14.4470 14.4470 16.2842 16.2842 17.0218 17.0218 18.2990 18.3005 k = 0.1667 0.2887-0.0000 ( 2595 PWs) bands (ev): -14.3551 -14.3551 -14.0408 -14.0408 -5.0291 -5.0291 -4.9284 -4.9284 -0.9777 -0.9777 -0.3363 -0.3363 0.6873 0.6873 1.2245 1.2245 1.6197 1.6197 1.7082 1.7082 9.3197 9.3197 9.4446 9.4446 9.5704 9.5704 10.2399 10.2399 10.5257 10.5257 10.6282 10.6282 14.4243 14.4243 16.3006 16.3006 16.9513 16.9513 18.2913 18.2913 k = 0.1609 0.2787-0.0000 ( 2595 PWs) bands (ev): -14.3732 -14.3732 -14.0485 -14.0485 -5.0556 -5.0556 -4.8924 -4.8924 -0.9363 -0.9363 -0.3221 -0.3221 0.7328 0.7328 1.2612 1.2612 1.6437 1.6437 1.7187 1.7187 9.3377 9.3377 9.4188 9.4188 9.5574 9.5574 10.2237 10.2237 10.5024 10.5024 10.6420 10.6420 14.4039 14.4039 16.3113 16.3113 16.8843 16.8843 18.2794 18.2794 k = 0.1552 0.2688-0.0000 ( 2595 PWs) bands (ev): -14.3913 -14.3913 -14.0563 -14.0563 -5.0827 -5.0827 -4.8551 -4.8551 -0.8939 -0.8939 -0.3090 -0.3090 0.7798 0.7798 1.2971 1.2971 1.6673 1.6673 1.7299 1.7299 9.3573 9.3573 9.3929 9.3929 9.5464 9.5464 10.2066 10.2066 10.4763 10.4763 10.6569 10.6569 14.3861 14.3861 16.3148 16.3148 16.8212 16.8212 18.2589 18.2589 k = 0.1494 0.2588-0.0000 ( 2595 PWs) bands (ev): -14.4092 -14.4092 -14.0643 -14.0643 -5.1098 -5.1098 -4.8174 -4.8174 -0.8507 -0.8507 -0.2969 -0.2969 0.8282 0.8282 1.3321 1.3321 1.6906 1.6906 1.7417 1.7417 9.3644 9.3644 9.3806 9.3806 9.5375 9.5375 10.1887 10.1887 10.4481 10.4481 10.6726 10.6726 14.3714 14.3714 16.3097 16.3097 16.7622 16.7622 18.2233 18.2233 k = 0.1437 0.2489-0.0000 ( 2595 PWs) bands (ev): -14.4269 -14.4269 -14.0723 -14.0723 -5.1367 -5.1367 -4.7795 -4.7795 -0.8069 -0.8069 -0.2858 -0.2858 0.8779 0.8779 1.3662 1.3662 1.7136 1.7136 1.7538 1.7538 9.3380 9.3380 9.4026 9.4026 9.5308 9.5308 10.1701 10.1701 10.4181 10.4181 10.6889 10.6889 14.3599 14.3599 16.2953 16.2953 16.7071 16.7071 18.1766 18.1766 k = 0.1379 0.2389-0.0000 ( 2587 PWs) bands (ev): -14.4444 -14.4444 -14.0804 -14.0804 -5.1631 -5.1631 -4.7416 -4.7416 -0.7627 -0.7627 -0.2756 -0.2756 0.9287 0.9287 1.3994 1.3994 1.7363 1.7363 1.7661 1.7661 9.3101 9.3101 9.4266 9.4266 9.5264 9.5264 10.1510 10.1510 10.3864 10.3864 10.7057 10.7057 14.3522 14.3522 16.2714 16.2714 16.6549 16.6549 18.1272 18.1272 k = 0.1322 0.2289-0.0000 ( 2583 PWs) bands (ev): -14.4616 -14.4616 -14.0885 -14.0885 -5.1891 -5.1891 -4.7038 -4.7038 -0.7183 -0.7183 -0.2662 -0.2662 0.9805 0.9805 1.4316 1.4316 1.7588 1.7588 1.7784 1.7784 9.2813 9.2813 9.4515 9.4515 9.5243 9.5243 10.1315 10.1315 10.3533 10.3533 10.7230 10.7230 14.3484 14.3484 16.2388 16.2388 16.6043 16.6043 18.0778 18.0778 k = 0.1264 0.2190-0.0000 ( 2585 PWs) bands (ev): -14.4784 -14.4784 -14.0965 -14.0965 -5.2145 -5.2145 -4.6664 -4.6664 -0.6740 -0.6740 -0.2577 -0.2577 1.0331 1.0331 1.4628 1.4628 1.7809 1.7809 1.7906 1.7906 9.2515 9.2515 9.4771 9.4771 9.5245 9.5245 10.1118 10.1118 10.3190 10.3190 10.7409 10.7409 14.3491 14.3491 16.1991 16.1991 16.5535 16.5535 18.0267 18.0267 k = 0.1207 0.2090-0.0000 ( 2587 PWs) bands (ev): -14.4948 -14.4948 -14.1045 -14.1045 -5.2392 -5.2392 -4.6294 -4.6294 -0.6299 -0.6299 -0.2499 -0.2499 1.0863 1.0863 1.4929 1.4929 1.8016 1.8016 1.8037 1.8037 9.2208 9.2208 9.5031 9.5031 9.5269 9.5269 10.0919 10.0919 10.2836 10.2836 10.7594 10.7594 14.3543 14.3543 16.1539 16.1539 16.5008 16.5008 17.9698 17.9698 k = 0.1149 0.1991-0.0000 ( 2587 PWs) bands (ev): -14.5108 -14.5108 -14.1124 -14.1124 -5.2632 -5.2632 -4.5931 -4.5931 -0.5862 -0.5862 -0.2427 -0.2427 1.1399 1.1399 1.5221 1.5221 1.8139 1.8139 1.8244 1.8244 9.1891 9.1891 9.5287 9.5287 9.5321 9.5321 10.0719 10.0719 10.2475 10.2475 10.7784 10.7784 14.3645 14.3645 16.1049 16.1049 16.4451 16.4451 17.9022 17.9022 k = 0.1092 0.1891-0.0000 ( 2587 PWs) bands (ev): -14.5263 -14.5263 -14.1202 -14.1202 -5.2864 -5.2864 -4.5575 -4.5575 -0.5433 -0.5433 -0.2362 -0.2362 1.1938 1.1938 1.5504 1.5504 1.8251 1.8251 1.8451 1.8451 9.1563 9.1563 9.5383 9.5383 9.5554 9.5554 10.0521 10.0521 10.2110 10.2110 10.7980 10.7980 14.3798 14.3798 16.0535 16.0535 16.3856 16.3856 17.8207 17.8207 k = 0.1034 0.1792-0.0000 ( 2599 PWs) bands (ev): -14.5412 -14.5412 -14.1277 -14.1277 -5.3087 -5.3087 -4.5228 -4.5228 -0.5012 -0.5012 -0.2302 -0.2302 1.2476 1.2476 1.5777 1.5777 1.8357 1.8357 1.8652 1.8652 9.1224 9.1224 9.5472 9.5472 9.5811 9.5811 10.0325 10.0325 10.1743 10.1743 10.8181 10.8181 14.4003 14.4003 16.0009 16.0009 16.3223 16.3223 17.7257 17.7257 k = 0.0977 0.1692-0.0000 ( 2599 PWs) bands (ev): -14.5556 -14.5556 -14.1351 -14.1351 -5.3301 -5.3301 -4.4892 -4.4892 -0.4602 -0.4602 -0.2247 -0.2247 1.3013 1.3013 1.6042 1.6042 1.8458 1.8458 1.8844 1.8844 9.0874 9.0874 9.5580 9.5580 9.6062 9.6062 10.0132 10.0132 10.1379 10.1379 10.8387 10.8387 14.4262 14.4262 15.9478 15.9478 16.2552 16.2552 17.6210 17.6210 k = 0.0920 0.1593-0.0000 ( 2591 PWs) bands (ev): -14.5694 -14.5694 -14.1423 -14.1423 -5.3506 -5.3506 -4.4567 -4.4567 -0.4205 -0.4205 -0.2196 -0.2196 1.3544 1.3544 1.6298 1.6298 1.8553 1.8553 1.9027 1.9027 9.0515 9.0515 9.5706 9.5706 9.6305 9.6305 9.9943 9.9943 10.1021 10.1021 10.8597 10.8597 14.4575 14.4575 15.8949 15.8949 16.1848 16.1848 17.5118 17.5118 k = 0.0862 0.1493-0.0000 ( 2595 PWs) bands (ev): -14.5826 -14.5826 -14.1491 -14.1491 -5.3701 -5.3701 -4.4256 -4.4256 -0.3823 -0.3823 -0.2150 -0.2150 1.4068 1.4068 1.6545 1.6545 1.8642 1.8642 1.9198 1.9198 9.0148 9.0148 9.5846 9.5846 9.6539 9.6539 9.9760 9.9760 10.0674 10.0674 10.8810 10.8810 14.4941 14.4941 15.8428 15.8428 16.1117 16.1117 17.4027 17.4027 k = 0.0805 0.1394-0.0000 ( 2597 PWs) bands (ev): -14.5950 -14.5950 -14.1557 -14.1557 -5.3885 -5.3885 -4.3958 -4.3958 -0.3458 -0.3458 -0.2107 -0.2107 1.4582 1.4582 1.6783 1.6783 1.8725 1.8725 1.9357 1.9357 8.9774 8.9774 9.6000 9.6000 9.6762 9.6762 9.9582 9.9582 10.0340 10.0340 10.9025 10.9025 14.5358 14.5358 15.7918 15.7918 16.0366 16.0366 17.2972 17.2972 k = 0.0747 0.1294-0.0000 ( 2591 PWs) bands (ev): -14.6068 -14.6068 -14.1619 -14.1619 -5.4058 -5.4058 -4.3676 -4.3676 -0.3110 -0.3110 -0.2068 -0.2068 1.5082 1.5082 1.7012 1.7012 1.8801 1.8801 1.9503 1.9503 8.9396 8.9396 9.6164 9.6164 9.6972 9.6972 9.9410 9.9410 10.0024 10.0024 10.9240 10.9240 14.5825 14.5825 15.7423 15.7423 15.9604 15.9604 17.1976 17.1976 k = 0.0690 0.1195-0.0000 ( 2599 PWs) bands (ev): -14.6177 -14.6177 -14.1678 -14.1678 -5.4219 -5.4219 -4.3410 -4.3410 -0.2784 -0.2784 -0.2031 -0.2031 1.5565 1.5565 1.7232 1.7232 1.8871 1.8871 1.9635 1.9635 8.9018 8.9018 9.6336 9.6336 9.7168 9.7168 9.9244 9.9244 9.9730 9.9730 10.9453 10.9453 14.6340 14.6340 15.6946 15.6946 15.8839 15.8839 17.1052 17.1052 k = 0.0632 0.1095-0.0000 ( 2595 PWs) bands (ev): -14.6280 -14.6280 -14.1734 -14.1734 -5.4369 -5.4369 -4.3162 -4.3162 -0.2481 -0.2481 -0.1994 -0.1994 1.6027 1.6027 1.7443 1.7443 1.8934 1.8934 1.9753 1.9753 8.8644 8.8644 9.6511 9.6511 9.7349 9.7349 9.9084 9.9084 9.9462 9.9462 10.9662 10.9662 14.6896 14.6896 15.6489 15.6489 15.8084 15.8084 17.0208 17.0208 k = 0.0575 0.0995-0.0000 ( 2595 PWs) bands (ev): -14.6374 -14.6374 -14.1785 -14.1785 -5.4507 -5.4507 -4.2932 -4.2932 -0.2209 -0.2209 -0.1952 -0.1952 1.6465 1.6465 1.7643 1.7643 1.8992 1.8992 1.9857 1.9857 8.8278 8.8278 9.6685 9.6685 9.7514 9.7514 9.8927 9.8927 9.9225 9.9225 10.9865 10.9865 14.7491 14.7491 15.6053 15.6053 15.7353 15.7353 16.9448 16.9448 k = 0.0517 0.0896-0.0000 ( 2599 PWs) bands (ev): -14.6460 -14.6460 -14.1832 -14.1832 -5.4633 -5.4633 -4.2721 -4.2721 -0.2016 -0.2016 -0.1858 -0.1858 1.6875 1.6875 1.7832 1.7832 1.9042 1.9042 1.9946 1.9946 8.7925 8.7925 9.6855 9.6855 9.7663 9.7663 9.8772 9.8772 9.9024 9.9024 11.0059 11.0059 14.8116 14.8116 15.5634 15.5634 15.6662 15.6662 16.8769 16.8769 k = 0.0460 0.0796-0.0000 ( 2599 PWs) bands (ev): -14.6537 -14.6537 -14.1874 -14.1874 -5.4746 -5.4746 -4.2530 -4.2530 -0.1952 -0.1952 -0.1661 -0.1661 1.7252 1.7252 1.8011 1.8011 1.9087 1.9087 2.0020 2.0020 8.7590 8.7590 9.7014 9.7014 9.7795 9.7795 9.8619 9.8619 9.8862 9.8862 11.0242 11.0242 14.8763 14.8763 15.5224 15.5224 15.6034 15.6034 16.8169 16.8169 k = 0.0402 0.0697-0.0000 ( 2599 PWs) bands (ev): -14.6606 -14.6606 -14.1912 -14.1912 -5.4847 -5.4847 -4.2360 -4.2360 -0.1923 -0.1923 -0.1459 -0.1459 1.7593 1.7593 1.8178 1.8178 1.9125 1.9125 2.0082 2.0082 8.7279 8.7279 9.7158 9.7158 9.7910 9.7910 9.8479 9.8479 9.8734 9.8734 11.0410 11.0410 14.9422 14.9422 15.4809 15.4809 15.5498 15.5498 16.7643 16.7643 k = 0.0345 0.0597-0.0000 ( 2603 PWs) bands (ev): -14.6666 -14.6666 -14.1945 -14.1945 -5.4934 -5.4934 -4.2212 -4.2212 -0.1901 -0.1901 -0.1277 -0.1277 1.7892 1.7892 1.8333 1.8333 1.9158 1.9158 2.0130 2.0130 8.6996 8.6996 9.7280 9.7280 9.8007 9.8007 9.8362 9.8362 9.8632 9.8632 11.0562 11.0562 15.0077 15.0077 15.4379 15.4379 15.5076 15.5076 16.7183 16.7184 k = 0.0287 0.0498-0.0000 ( 2607 PWs) bands (ev): -14.6718 -14.6718 -14.1974 -14.1974 -5.5008 -5.5008 -4.2085 -4.2085 -0.1885 -0.1885 -0.1121 -0.1121 1.8144 1.8144 1.8476 1.8476 1.9185 1.9185 2.0166 2.0166 8.6748 8.6748 9.7372 9.7372 9.8084 9.8084 9.8276 9.8276 9.8553 9.8553 11.0695 11.0695 15.0710 15.0710 15.3957 15.3957 15.4755 15.4755 16.6781 16.6781 k = 0.0230 0.0398-0.0000 ( 2611 PWs) bands (ev): -14.6759 -14.6759 -14.1997 -14.1997 -5.5069 -5.5069 -4.1981 -4.1981 -0.1872 -0.1872 -0.0992 -0.0992 1.8345 1.8345 1.8607 1.8607 1.9207 1.9207 2.0192 2.0192 8.6538 8.6538 9.7432 9.7432 9.8140 9.8140 9.8224 9.8224 9.8497 9.8497 11.0807 11.0807 15.1299 15.1299 15.3578 15.3578 15.4513 15.4513 16.6422 16.6422 k = 0.0172 0.0299-0.0000 ( 2623 PWs) bands (ev): -14.6792 -14.6792 -14.2015 -14.2015 -5.5117 -5.5117 -4.1899 -4.1899 -0.1861 -0.1861 -0.0891 -0.0891 1.8492 1.8492 1.8722 1.8722 1.9226 1.9226 2.0210 2.0210 8.6370 8.6370 9.7462 9.7462 9.8174 9.8174 9.8204 9.8204 9.8463 9.8463 11.0897 11.0897 15.1812 15.1812 15.3266 15.3266 15.4333 15.4333 16.6096 16.6096 k = 0.0115 0.0199-0.0000 ( 2623 PWs) bands (ev): -14.6816 -14.6816 -14.2029 -14.2029 -5.5151 -5.5151 -4.1841 -4.1841 -0.1854 -0.1854 -0.0818 -0.0818 1.8592 1.8592 1.8811 1.8811 1.9242 1.9242 2.0221 2.0221 8.6247 8.6247 9.7471 9.7471 9.8191 9.8191 9.8201 9.8201 9.8448 9.8448 11.0962 11.0962 15.2216 15.2216 15.3036 15.3036 15.4207 15.4207 16.5810 16.5810 k = 0.0057 0.0100-0.0000 ( 2623 PWs) bands (ev): -14.6830 -14.6830 -14.2036 -14.2036 -5.5171 -5.5171 -4.1806 -4.1806 -0.1850 -0.1850 -0.0774 -0.0774 1.8650 1.8650 1.8866 1.8866 1.9253 1.9253 2.0226 2.0226 8.6173 8.6173 9.7471 9.7471 9.8197 9.8197 9.8204 9.8204 9.8444 9.8444 11.1001 11.1001 15.2477 15.2477 15.2895 15.2895 15.4132 15.4132 16.5602 16.5602 k = 0.0000 0.0000 0.0000 ( 2623 PWs) bands (ev): -14.6834 -14.6834 -14.2039 -14.2039 -5.5178 -5.5178 -4.1794 -4.1794 -0.1849 -0.1849 -0.0760 -0.0760 1.8669 1.8669 1.8885 1.8885 1.9258 1.9258 2.0228 2.0228 8.6148 8.6148 9.7470 9.7470 9.8197 9.8197 9.8207 9.8207 9.8444 9.8444 11.1014 11.1014 15.2567 15.2567 15.2848 15.2848 15.4107 15.4107 16.5526 16.5526 k = 0.0000 0.0000 0.0000 ( 2623 PWs) bands (ev): -14.6834 -14.6834 -14.2039 -14.2039 -5.5178 -5.5178 -4.1794 -4.1794 -0.1849 -0.1849 -0.0760 -0.0760 1.8669 1.8669 1.8885 1.8885 1.9258 1.9258 2.0228 2.0228 8.6148 8.6148 9.7470 9.7470 9.8197 9.8197 9.8207 9.8207 9.8444 9.8444 11.1014 11.1014 15.2567 15.2567 15.2848 15.2848 15.4107 15.4107 16.5526 16.5526 k = 0.0000 0.0000 0.0111 ( 2623 PWs) bands (ev): -14.6830 -14.6830 -14.2044 -14.2044 -5.5166 -5.5166 -4.1806 -4.1806 -0.1848 -0.1848 -0.0761 -0.0761 1.8667 1.8667 1.8883 1.8883 1.9259 1.9259 2.0227 2.0227 8.6165 8.6165 9.7469 9.7469 9.8195 9.8195 9.8205 9.8205 9.8441 9.8441 11.0980 11.0980 15.2575 15.2575 15.2886 15.2886 15.4126 15.4126 16.5547 16.5547 k = 0.0000 0.0000 0.0223 ( 2623 PWs) bands (ev): -14.6819 -14.6819 -14.2058 -14.2058 -5.5129 -5.5129 -4.1843 -4.1843 -0.1845 -0.1845 -0.0763 -0.0763 1.8664 1.8664 1.8878 1.8878 1.9262 1.9262 2.0225 2.0225 8.6218 8.6218 9.7465 9.7465 9.8187 9.8187 9.8199 9.8199 9.8434 9.8434 11.0878 11.0878 15.2600 15.2600 15.2999 15.2999 15.4181 15.4181 16.5609 16.5609 k = 0.0000 0.0000 0.0334 ( 2623 PWs) bands (ev): -14.6799 -14.6799 -14.2083 -14.2083 -5.5068 -5.5068 -4.1903 -4.1903 -0.1839 -0.1839 -0.0768 -0.0768 1.8658 1.8658 1.8869 1.8869 1.9266 1.9266 2.0221 2.0221 8.6305 8.6305 9.7459 9.7459 9.8175 9.8175 9.8189 9.8189 9.8423 9.8423 11.0709 11.0709 15.2641 15.2641 15.3184 15.3184 15.4276 15.4276 16.5713 16.5713 k = 0.0000 0.0000 0.0446 ( 2611 PWs) bands (ev): -14.6771 -14.6771 -14.2116 -14.2116 -5.4982 -5.4982 -4.1988 -4.1988 -0.1832 -0.1832 -0.0773 -0.0773 1.8649 1.8649 1.8857 1.8857 1.9273 1.9273 2.0215 2.0215 8.6426 8.6426 9.7451 9.7451 9.8158 9.8158 9.8176 9.8176 9.8407 9.8407 11.0476 11.0476 15.2697 15.2697 15.3435 15.3435 15.4413 15.4413 16.5858 16.5858 k = 0.0000 0.0000 0.0557 ( 2605 PWs) bands (ev): -14.6736 -14.6736 -14.2159 -14.2159 -5.4873 -5.4873 -4.2096 -4.2096 -0.1823 -0.1823 -0.0781 -0.0781 1.8639 1.8639 1.8843 1.8843 1.9282 1.9282 2.0208 2.0208 8.6582 8.6582 9.7440 9.7440 9.8136 9.8136 9.8160 9.8160 9.8386 9.8386 11.0181 11.0181 15.2770 15.2770 15.3738 15.3738 15.4603 15.4603 16.6044 16.6044 k = 0.0000 0.0000 0.0669 ( 2605 PWs) bands (ev): -14.6693 -14.6693 -14.2211 -14.2211 -5.4741 -5.4741 -4.2228 -4.2228 -0.1812 -0.1812 -0.0791 -0.0791 1.8626 1.8626 1.8825 1.8825 1.9292 1.9292 2.0199 2.0199 8.6772 8.6772 9.7427 9.7427 9.8110 9.8110 9.8140 9.8140 9.8362 9.8362 10.9827 10.9827 15.2857 15.2857 15.4065 15.4065 15.4868 15.4868 16.6270 16.6270 k = 0.0000 0.0000 0.0780 ( 2605 PWs) bands (ev): -14.6642 -14.6642 -14.2272 -14.2272 -5.4585 -5.4585 -4.2382 -4.2382 -0.1799 -0.1799 -0.0802 -0.0802 1.8611 1.8611 1.8804 1.8804 1.9305 1.9305 2.0189 2.0189 8.6995 8.6995 9.7413 9.7413 9.8081 9.8081 9.8117 9.8117 9.8335 9.8335 10.9418 10.9418 15.2959 15.2959 15.4376 15.4376 15.5243 15.5243 16.6535 16.6535 k = 0.0000 0.0000 0.0891 ( 2606 PWs) bands (ev): -14.6584 -14.6584 -14.2342 -14.2342 -5.4408 -5.4408 -4.2559 -4.2559 -0.1784 -0.1784 -0.0814 -0.0814 1.8595 1.8595 1.8782 1.8782 1.9319 1.9319 2.0178 2.0178 8.7251 8.7251 9.7398 9.7398 9.8047 9.8047 9.8093 9.8093 9.8304 9.8304 10.8959 10.8959 15.3074 15.3074 15.4649 15.4649 15.5746 15.5746 16.6838 16.6838 k = 0.0000 0.0000 0.1003 ( 2606 PWs) bands (ev): -14.6519 -14.6519 -14.2419 -14.2419 -5.4208 -5.4208 -4.2757 -4.2757 -0.1767 -0.1767 -0.0829 -0.0829 1.8578 1.8578 1.8757 1.8757 1.9334 1.9334 2.0165 2.0165 8.7540 8.7540 9.7381 9.7381 9.8011 9.8011 9.8066 9.8066 9.8270 9.8270 10.8453 10.8453 15.3203 15.3203 15.4891 15.4891 15.6363 15.6363 16.7179 16.7179 k = 0.0000 0.0000 0.1114 ( 2606 PWs) bands (ev): -14.6446 -14.6446 -14.2505 -14.2505 -5.3988 -5.3988 -4.2976 -4.2976 -0.1749 -0.1749 -0.0845 -0.0845 1.8560 1.8560 1.8731 1.8731 1.9351 1.9351 2.0150 2.0150 8.7861 8.7861 9.7364 9.7364 9.7972 9.7972 9.8037 9.8037 9.8234 9.8234 10.7906 10.7906 15.3344 15.3344 15.5114 15.5114 15.7075 15.7075 16.7556 16.7556 k = 0.0000 0.0000 0.1226 ( 2606 PWs) bands (ev): -14.6367 -14.6367 -14.2598 -14.2598 -5.3747 -5.3747 -4.3215 -4.3215 -0.1728 -0.1728 -0.0862 -0.0862 1.8541 1.8541 1.8703 1.8703 1.9370 1.9370 2.0134 2.0134 8.8213 8.8213 9.7346 9.7346 9.7930 9.7930 9.8008 9.8008 9.8196 9.8196 10.7321 10.7321 15.3496 15.3496 15.5324 15.5324 15.7871 15.7871 16.7969 16.7969 k = 0.0000 0.0000 0.1337 ( 2600 PWs) bands (ev): -14.6281 -14.6281 -14.2698 -14.2698 -5.3488 -5.3488 -4.3473 -4.3473 -0.1706 -0.1706 -0.0882 -0.0882 1.8521 1.8521 1.8675 1.8675 1.9391 1.9391 2.0117 2.0117 8.8596 8.8596 9.7329 9.7329 9.7887 9.7887 9.7978 9.7978 9.8157 9.8157 10.6704 10.6704 15.3658 15.3658 15.5521 15.5521 15.8744 15.8744 16.8415 16.8415 k = 0.0000 0.0000 0.1449 ( 2600 PWs) bands (ev): -14.6189 -14.6189 -14.2805 -14.2805 -5.3210 -5.3210 -4.3750 -4.3750 -0.1683 -0.1683 -0.0902 -0.0902 1.8502 1.8502 1.8645 1.8645 1.9412 1.9412 2.0099 2.0099 8.9008 8.9008 9.7312 9.7312 9.7842 9.7842 9.7948 9.7948 9.8118 9.8118 10.6058 10.6058 15.3829 15.3829 15.5704 15.5704 15.9690 15.9690 16.8894 16.8894 k = 0.0000 0.0000 0.1560 ( 2606 PWs) bands (ev): -14.6090 -14.6090 -14.2918 -14.2918 -5.2915 -5.2915 -4.4043 -4.4043 -0.1657 -0.1657 -0.0925 -0.0925 1.8482 1.8482 1.8616 1.8616 1.9435 1.9435 2.0079 2.0079 8.9449 8.9449 9.7295 9.7295 9.7797 9.7797 9.7918 9.7918 9.8078 9.8078 10.5387 10.5387 15.4008 15.4008 15.5871 15.5871 16.0705 16.0705 16.9403 16.9403 k = 0.0000 0.0000 0.1672 ( 2606 PWs) bands (ev): -14.5986 -14.5986 -14.3036 -14.3036 -5.2603 -5.2603 -4.4353 -4.4353 -0.1631 -0.1631 -0.0948 -0.0948 1.8463 1.8463 1.8587 1.8587 1.9459 1.9459 2.0058 2.0058 8.9918 8.9918 9.7280 9.7280 9.7752 9.7752 9.7889 9.7889 9.8038 9.8038 10.4696 10.4696 15.4192 15.4192 15.6020 15.6020 16.1787 16.1787 16.9942 16.9942 k = 0.0000 0.0000 0.1783 ( 2600 PWs) bands (ev): -14.5876 -14.5876 -14.3160 -14.3160 -5.2277 -5.2277 -4.4678 -4.4678 -0.1603 -0.1603 -0.0973 -0.0973 1.8446 1.8446 1.8559 1.8559 1.9484 1.9484 2.0036 2.0036 9.0414 9.0414 9.7266 9.7266 9.7707 9.7707 9.7862 9.7862 9.7999 9.7999 10.3989 10.3989 15.4381 15.4381 15.6148 15.6148 16.2934 16.2934 17.0509 17.0509 k = 0.0000 0.0000 0.1894 ( 2600 PWs) bands (ev): -14.5761 -14.5761 -14.3288 -14.3288 -5.1937 -5.1937 -4.5017 -4.5017 -0.1574 -0.1574 -0.1000 -0.1000 1.8429 1.8429 1.8531 1.8531 1.9510 1.9510 2.0013 2.0013 9.0936 9.0936 9.7254 9.7254 9.7663 9.7663 9.7836 9.7836 9.7961 9.7961 10.3269 10.3269 15.4573 15.4573 15.6253 15.6253 16.4143 16.4143 17.1101 17.1101 k = 0.0000 0.0000 0.2006 ( 2612 PWs) bands (ev): -14.5641 -14.5641 -14.3420 -14.3420 -5.1585 -5.1585 -4.5369 -4.5369 -0.1544 -0.1544 -0.1027 -0.1027 1.8414 1.8414 1.8505 1.8505 1.9537 1.9537 1.9988 1.9988 9.1482 9.1482 9.7244 9.7244 9.7620 9.7620 9.7813 9.7813 9.7925 9.7925 10.2539 10.2539 15.4766 15.4766 15.6334 15.6334 16.5413 16.5413 17.1717 17.1717 k = 0.0000 0.0000 0.2117 ( 2612 PWs) bands (ev): -14.5517 -14.5517 -14.3556 -14.3556 -5.1221 -5.1221 -4.5732 -4.5732 -0.1513 -0.1513 -0.1056 -0.1056 1.8400 1.8400 1.8481 1.8481 1.9564 1.9564 1.9963 1.9963 9.2052 9.2052 9.7235 9.7235 9.7579 9.7579 9.7792 9.7792 9.7891 9.7891 10.1804 10.1804 15.4957 15.4957 15.6390 15.6390 16.6742 16.6742 17.2356 17.2356 k = 0.0000 0.0000 0.2229 ( 2606 PWs) bands (ev): -14.5389 -14.5389 -14.3694 -14.3694 -5.0847 -5.0847 -4.6104 -4.6104 -0.1481 -0.1481 -0.1086 -0.1086 1.8389 1.8389 1.8458 1.8458 1.9593 1.9593 1.9937 1.9937 9.2644 9.2644 9.7228 9.7228 9.7541 9.7541 9.7774 9.7774 9.7860 9.7860 10.1067 10.1067 15.5146 15.5146 15.6421 15.6421 16.8126 16.8126 17.3014 17.3014 k = 0.0000 0.0000 0.2340 ( 2594 PWs) bands (ev): -14.5256 -14.5256 -14.3835 -14.3835 -5.0465 -5.0465 -4.6486 -4.6486 -0.1448 -0.1448 -0.1116 -0.1116 1.8380 1.8380 1.8438 1.8438 1.9621 1.9621 1.9910 1.9910 9.3256 9.3256 9.7222 9.7222 9.7506 9.7506 9.7760 9.7760 9.7832 9.7832 10.0332 10.0332 15.5330 15.5330 15.6427 15.6427 16.9565 16.9565 17.3690 17.3690 k = 0.0000 0.0000 0.2452 ( 2594 PWs) bands (ev): -14.5121 -14.5121 -14.3978 -14.3978 -5.0075 -5.0075 -4.6875 -4.6875 -0.1415 -0.1415 -0.1148 -0.1148 1.8373 1.8373 1.8419 1.8419 1.9650 1.9650 1.9883 1.9883 9.3886 9.3886 9.7213 9.7213 9.7476 9.7476 9.7749 9.7749 9.7807 9.7807 9.9603 9.9603 15.5507 15.5507 15.6407 15.6407 17.1056 17.1056 17.4382 17.4382 k = 0.0000 0.0000 0.2563 ( 2594 PWs) bands (ev): -14.4983 -14.4983 -14.4122 -14.4122 -4.9680 -4.9680 -4.7270 -4.7270 -0.1382 -0.1382 -0.1180 -0.1180 1.8369 1.8369 1.8404 1.8404 1.9680 1.9680 1.9855 1.9855 9.4532 9.4532 9.7197 9.7197 9.7451 9.7451 9.7742 9.7742 9.7786 9.7786 9.8889 9.8889 15.5674 15.5674 15.6363 15.6363 17.2595 17.2595 17.5087 17.5087 k = 0.0000 0.0000 0.2674 ( 2594 PWs) bands (ev): -14.4842 -14.4842 -14.4267 -14.4267 -4.9281 -4.9281 -4.7669 -4.7669 -0.1348 -0.1348 -0.1213 -0.1213 1.8368 1.8368 1.8391 1.8391 1.9709 1.9709 1.9826 1.9826 9.5190 9.5190 9.7149 9.7149 9.7435 9.7435 9.7739 9.7739 9.7769 9.7769 9.8217 9.8217 15.5830 15.5830 15.6296 15.6296 17.4178 17.4178 17.5803 17.5803 k = 0.0000 0.0000 0.2786 ( 2594 PWs) bands (ev): -14.4700 -14.4700 -14.4412 -14.4412 -4.8878 -4.8878 -4.8071 -4.8071 -0.1314 -0.1314 -0.1246 -0.1246 1.8369 1.8369 1.8381 1.8381 1.9739 1.9739 1.9797 1.9797 9.5850 9.5850 9.6967 9.6967 9.7436 9.7436 9.7691 9.7691 9.7740 9.7740 9.7755 9.7755 15.5972 15.5972 15.6207 15.6207 17.5792 17.5792 17.6527 17.6527 k = 0.0000 0.0000 0.2897 ( 2594 PWs) bands (ev): -14.4556 -14.4556 -14.4556 -14.4556 -4.8475 -4.8475 -4.8475 -4.8475 -0.1280 -0.1280 -0.1280 -0.1280 1.8374 1.8374 1.8374 1.8374 1.9768 1.9768 1.9768 1.9768 9.6484 9.6484 9.6484 9.6484 9.7481 9.7481 9.7481 9.7481 9.7746 9.7746 9.7746 9.7746 15.6099 15.6099 15.6099 15.6099 17.7256 17.7256 17.7257 17.7341 k = 0.0000 0.0000 0.2897 ( 2594 PWs) bands (ev): -14.4556 -14.4556 -14.4556 -14.4556 -4.8475 -4.8475 -4.8475 -4.8475 -0.1280 -0.1280 -0.1280 -0.1280 1.8374 1.8374 1.8374 1.8374 1.9768 1.9768 1.9768 1.9768 9.6484 9.6484 9.6484 9.6484 9.7481 9.7481 9.7481 9.7481 9.7746 9.7746 9.7746 9.7746 15.6099 15.6099 15.6099 15.6099 17.7256 17.7256 17.7257 17.7341 k = 0.0098 0.0057 0.2897 ( 2590 PWs) bands (ev): -14.4553 -14.4553 -14.4553 -14.4553 -4.8476 -4.8476 -4.8476 -4.8476 -0.1290 -0.1290 -0.1290 -0.1290 1.8355 1.8355 1.8355 1.8355 1.9765 1.9765 1.9765 1.9765 9.6441 9.6441 9.6441 9.6441 9.7490 9.7490 9.7490 9.7490 9.7801 9.7801 9.7801 9.7801 15.6089 15.6089 15.6089 15.6089 17.7112 17.7112 17.7112 17.7112 k = 0.0196 0.0113 0.2897 ( 2590 PWs) bands (ev): -14.4542 -14.4542 -14.4542 -14.4542 -4.8478 -4.8478 -4.8478 -4.8478 -0.1318 -0.1318 -0.1318 -0.1318 1.8301 1.8301 1.8301 1.8301 1.9757 1.9757 1.9757 1.9757 9.6332 9.6332 9.6332 9.6332 9.7511 9.7511 9.7511 9.7511 9.7951 9.7951 9.7951 9.7951 15.6058 15.6058 15.6058 15.6058 17.6877 17.6877 17.6877 17.6877 k = 0.0294 0.0170 0.2897 ( 2590 PWs) bands (ev): -14.4523 -14.4523 -14.4523 -14.4523 -4.8483 -4.8483 -4.8483 -4.8483 -0.1366 -0.1366 -0.1366 -0.1366 1.8212 1.8212 1.8212 1.8212 1.9741 1.9741 1.9741 1.9741 9.6192 9.6192 9.6192 9.6192 9.7538 9.7538 9.7538 9.7538 9.8167 9.8167 9.8167 9.8167 15.6008 15.6008 15.6008 15.6008 17.6585 17.6585 17.6585 17.6586 k = 0.0392 0.0226 0.2897 ( 2594 PWs) bands (ev): -14.4498 -14.4498 -14.4498 -14.4498 -4.8490 -4.8490 -4.8490 -4.8490 -0.1432 -0.1432 -0.1432 -0.1432 1.8092 1.8092 1.8092 1.8092 1.9717 1.9717 1.9717 1.9717 9.6047 9.6047 9.6047 9.6047 9.7572 9.7572 9.7572 9.7572 9.8421 9.8421 9.8421 9.8421 15.5938 15.5938 15.5938 15.5938 17.6249 17.6249 17.6249 17.6249 k = 0.0490 0.0283 0.2897 ( 2604 PWs) bands (ev): -14.4465 -14.4465 -14.4465 -14.4465 -4.8499 -4.8499 -4.8499 -4.8499 -0.1517 -0.1517 -0.1517 -0.1517 1.7942 1.7942 1.7942 1.7942 1.9681 1.9681 1.9681 1.9681 9.5907 9.5907 9.5907 9.5907 9.7614 9.7614 9.7614 9.7614 9.8699 9.8699 9.8699 9.8699 15.5849 15.5849 15.5849 15.5849 17.5878 17.5878 17.5878 17.5878 k = 0.0588 0.0340 0.2897 ( 2604 PWs) bands (ev): -14.4425 -14.4425 -14.4425 -14.4425 -4.8510 -4.8510 -4.8510 -4.8510 -0.1620 -0.1620 -0.1620 -0.1620 1.7766 1.7766 1.7766 1.7766 1.9634 1.9634 1.9634 1.9634 9.5781 9.5781 9.5781 9.5781 9.7663 9.7663 9.7663 9.7663 9.8990 9.8990 9.8990 9.8990 15.5740 15.5740 15.5740 15.5740 17.5484 17.5484 17.5484 17.5484 k = 0.0686 0.0396 0.2897 ( 2612 PWs) bands (ev): -14.4379 -14.4379 -14.4379 -14.4379 -4.8523 -4.8523 -4.8523 -4.8523 -0.1739 -0.1739 -0.1739 -0.1739 1.7567 1.7567 1.7567 1.7567 1.9573 1.9573 1.9573 1.9573 9.5672 9.5672 9.5672 9.5672 9.7720 9.7720 9.7720 9.7720 9.9289 9.9289 9.9289 9.9289 15.5613 15.5613 15.5613 15.5613 17.5079 17.5079 17.5079 17.5079 k = 0.0784 0.0453 0.2897 ( 2612 PWs) bands (ev): -14.4325 -14.4325 -14.4325 -14.4325 -4.8539 -4.8539 -4.8539 -4.8539 -0.1876 -0.1876 -0.1876 -0.1876 1.7345 1.7345 1.7345 1.7345 1.9499 1.9499 1.9499 1.9499 9.5581 9.5581 9.5581 9.5581 9.7784 9.7784 9.7784 9.7784 9.9589 9.9589 9.9589 9.9589 15.5466 15.5466 15.5466 15.5466 17.4674 17.4674 17.4674 17.4674 k = 0.0882 0.0509 0.2897 ( 2612 PWs) bands (ev): -14.4265 -14.4265 -14.4265 -14.4265 -4.8557 -4.8557 -4.8557 -4.8557 -0.2028 -0.2028 -0.2028 -0.2028 1.7105 1.7105 1.7105 1.7105 1.9410 1.9410 1.9410 1.9410 9.5510 9.5510 9.5510 9.5510 9.7854 9.7854 9.7854 9.7854 9.9888 9.9888 9.9888 9.9888 15.5302 15.5302 15.5302 15.5302 17.4278 17.4278 17.4278 17.4279 k = 0.0980 0.0566 0.2897 ( 2604 PWs) bands (ev): -14.4198 -14.4198 -14.4198 -14.4198 -4.8578 -4.8578 -4.8578 -4.8578 -0.2195 -0.2195 -0.2195 -0.2195 1.6847 1.6847 1.6847 1.6847 1.9307 1.9307 1.9307 1.9307 9.5459 9.5459 9.5459 9.5459 9.7931 9.7931 9.7931 9.7931 10.0180 10.0180 10.0180 10.0180 15.5121 15.5121 15.5121 15.5121 17.3903 17.3903 17.3903 17.3903 k = 0.1078 0.0623 0.2897 ( 2604 PWs) bands (ev): -14.4126 -14.4126 -14.4126 -14.4126 -4.8601 -4.8601 -4.8601 -4.8601 -0.2376 -0.2376 -0.2376 -0.2376 1.6573 1.6573 1.6573 1.6573 1.9190 1.9190 1.9190 1.9190 9.5428 9.5428 9.5428 9.5428 9.8012 9.8012 9.8012 9.8012 10.0463 10.0463 10.0463 10.0463 15.4922 15.4922 15.4922 15.4922 17.3555 17.3555 17.3555 17.3555 k = 0.1176 0.0679 0.2897 ( 2610 PWs) bands (ev): -14.4047 -14.4047 -14.4047 -14.4047 -4.8628 -4.8628 -4.8628 -4.8628 -0.2569 -0.2569 -0.2569 -0.2569 1.6286 1.6286 1.6286 1.6286 1.9060 1.9060 1.9060 1.9060 9.5415 9.5415 9.5415 9.5415 9.8099 9.8099 9.8099 9.8099 10.0734 10.0734 10.0734 10.0734 15.4709 15.4709 15.4709 15.4709 17.3242 17.3242 17.3242 17.3242 k = 0.1275 0.0736 0.2897 ( 2602 PWs) bands (ev): -14.3962 -14.3962 -14.3962 -14.3962 -4.8657 -4.8657 -4.8657 -4.8657 -0.2775 -0.2775 -0.2775 -0.2775 1.5988 1.5988 1.5988 1.5988 1.8916 1.8916 1.8916 1.8916 9.5421 9.5421 9.5421 9.5421 9.8189 9.8189 9.8189 9.8189 10.0989 10.0989 10.0989 10.0989 15.4481 15.4481 15.4481 15.4481 17.2968 17.2968 17.2968 17.2968 k = 0.1373 0.0792 0.2897 ( 2602 PWs) bands (ev): -14.3872 -14.3872 -14.3872 -14.3872 -4.8690 -4.8690 -4.8690 -4.8690 -0.2991 -0.2991 -0.2991 -0.2991 1.5679 1.5679 1.5679 1.5679 1.8761 1.8761 1.8761 1.8761 9.5444 9.5444 9.5444 9.5444 9.8282 9.8282 9.8282 9.8282 10.1225 10.1225 10.1225 10.1225 15.4241 15.4241 15.4241 15.4241 17.2738 17.2738 17.2738 17.2738 k = 0.1471 0.0849 0.2897 ( 2602 PWs) bands (ev): -14.3776 -14.3776 -14.3776 -14.3776 -4.8727 -4.8727 -4.8727 -4.8727 -0.3217 -0.3217 -0.3217 -0.3217 1.5361 1.5361 1.5361 1.5361 1.8594 1.8594 1.8594 1.8594 9.5483 9.5483 9.5483 9.5483 9.8378 9.8378 9.8378 9.8378 10.1442 10.1442 10.1442 10.1442 15.3991 15.3991 15.3991 15.3991 17.2553 17.2553 17.2553 17.2553 k = 0.1569 0.0906 0.2897 ( 2604 PWs) bands (ev): -14.3676 -14.3676 -14.3676 -14.3676 -4.8767 -4.8767 -4.8767 -4.8767 -0.3451 -0.3451 -0.3451 -0.3451 1.5036 1.5036 1.5036 1.5036 1.8416 1.8416 1.8416 1.8416 9.5536 9.5536 9.5536 9.5536 9.8476 9.8476 9.8476 9.8476 10.1635 10.1635 10.1635 10.1635 15.3733 15.3733 15.3733 15.3733 17.2414 17.2414 17.2414 17.2414 k = 0.1667 0.0962 0.2897 ( 2606 PWs) bands (ev): -14.3571 -14.3571 -14.3571 -14.3571 -4.8811 -4.8811 -4.8811 -4.8811 -0.3692 -0.3692 -0.3692 -0.3692 1.4706 1.4706 1.4706 1.4706 1.8230 1.8230 1.8230 1.8230 9.5602 9.5602 9.5602 9.5602 9.8575 9.8575 9.8575 9.8575 10.1805 10.1805 10.1805 10.1805 15.3470 15.3470 15.3470 15.3470 17.2319 17.2319 17.2319 17.2319 k = 0.1765 0.1019 0.2897 ( 2598 PWs) bands (ev): -14.3462 -14.3462 -14.3462 -14.3462 -4.8858 -4.8858 -4.8858 -4.8858 -0.3938 -0.3938 -0.3938 -0.3938 1.4371 1.4371 1.4371 1.4371 1.8034 1.8034 1.8034 1.8034 9.5680 9.5680 9.5680 9.5680 9.8674 9.8674 9.8674 9.8674 10.1949 10.1949 10.1949 10.1949 15.3206 15.3206 15.3206 15.3206 17.2265 17.2265 17.2265 17.2265 k = 0.1863 0.1075 0.2897 ( 2602 PWs) bands (ev): -14.3349 -14.3349 -14.3349 -14.3349 -4.8910 -4.8910 -4.8910 -4.8910 -0.4189 -0.4189 -0.4189 -0.4189 1.4034 1.4034 1.4034 1.4034 1.7832 1.7832 1.7832 1.7832 9.5767 9.5767 9.5767 9.5767 9.8772 9.8772 9.8772 9.8772 10.2067 10.2067 10.2067 10.2067 15.2943 15.2943 15.2943 15.2943 17.2250 17.2250 17.2250 17.2250 k = 0.1961 0.1132 0.2897 ( 2602 PWs) bands (ev): -14.3233 -14.3233 -14.3233 -14.3233 -4.8965 -4.8965 -4.8965 -4.8965 -0.4442 -0.4442 -0.4442 -0.4442 1.3695 1.3695 1.3695 1.3695 1.7623 1.7623 1.7623 1.7623 9.5863 9.5863 9.5863 9.5863 9.8870 9.8870 9.8870 9.8870 10.2158 10.2158 10.2158 10.2158 15.2685 15.2685 15.2685 15.2685 17.2268 17.2268 17.2268 17.2268 k = 0.2059 0.1189 0.2897 ( 2602 PWs) bands (ev): -14.3113 -14.3113 -14.3113 -14.3113 -4.9025 -4.9025 -4.9025 -4.9025 -0.4696 -0.4696 -0.4696 -0.4696 1.3356 1.3356 1.3356 1.3356 1.7409 1.7409 1.7409 1.7409 9.5964 9.5964 9.5964 9.5964 9.8966 9.8966 9.8966 9.8966 10.2224 10.2224 10.2224 10.2224 15.2436 15.2436 15.2436 15.2436 17.2313 17.2313 17.2313 17.2313 k = 0.2157 0.1245 0.2897 ( 2600 PWs) bands (ev): -14.2991 -14.2991 -14.2991 -14.2991 -4.9089 -4.9089 -4.9089 -4.9089 -0.4951 -0.4951 -0.4951 -0.4951 1.3017 1.3017 1.3017 1.3017 1.7190 1.7190 1.7190 1.7190 9.6070 9.6070 9.6070 9.6070 9.9060 9.9060 9.9060 9.9060 10.2263 10.2263 10.2263 10.2263 15.2198 15.2198 15.2198 15.2198 17.2380 17.2380 17.2380 17.2380 k = 0.2255 0.1302 0.2897 ( 2600 PWs) bands (ev): -14.2866 -14.2866 -14.2866 -14.2866 -4.9156 -4.9156 -4.9156 -4.9156 -0.5205 -0.5205 -0.5205 -0.5205 1.2681 1.2681 1.2681 1.2681 1.6969 1.6969 1.6969 1.6969 9.6179 9.6179 9.6179 9.6179 9.9151 9.9151 9.9151 9.9151 10.2278 10.2278 10.2278 10.2278 15.1975 15.1975 15.1975 15.1975 17.2462 17.2462 17.2462 17.2462 k = 0.2353 0.1358 0.2897 ( 2608 PWs) bands (ev): -14.2740 -14.2740 -14.2740 -14.2740 -4.9227 -4.9227 -4.9227 -4.9227 -0.5456 -0.5456 -0.5456 -0.5456 1.2347 1.2347 1.2347 1.2347 1.6745 1.6745 1.6745 1.6745 9.6289 9.6289 9.6289 9.6289 9.9239 9.9239 9.9239 9.9239 10.2269 10.2269 10.2269 10.2269 15.1769 15.1769 15.1769 15.1769 17.2554 17.2554 17.2554 17.2554 k = 0.2451 0.1415 0.2897 ( 2610 PWs) bands (ev): -14.2612 -14.2612 -14.2612 -14.2612 -4.9302 -4.9302 -4.9302 -4.9302 -0.5704 -0.5704 -0.5704 -0.5704 1.2018 1.2018 1.2018 1.2018 1.6520 1.6520 1.6520 1.6520 9.6398 9.6398 9.6398 9.6398 9.9322 9.9322 9.9322 9.9322 10.2239 10.2239 10.2239 10.2239 15.1583 15.1583 15.1583 15.1583 17.2650 17.2650 17.2650 17.2650 k = 0.2549 0.1472 0.2897 ( 2614 PWs) bands (ev): -14.2484 -14.2484 -14.2484 -14.2484 -4.9381 -4.9381 -4.9381 -4.9381 -0.5947 -0.5947 -0.5947 -0.5947 1.1693 1.1693 1.1693 1.1693 1.6294 1.6294 1.6294 1.6294 9.6506 9.6506 9.6506 9.6506 9.9402 9.9402 9.9402 9.9402 10.2189 10.2189 10.2189 10.2189 15.1418 15.1418 15.1418 15.1418 17.2745 17.2745 17.2745 17.2745 k = 0.2647 0.1528 0.2897 ( 2610 PWs) bands (ev): -14.2355 -14.2355 -14.2355 -14.2355 -4.9463 -4.9463 -4.9463 -4.9463 -0.6185 -0.6185 -0.6185 -0.6185 1.1375 1.1375 1.1375 1.1375 1.6070 1.6070 1.6070 1.6070 9.6609 9.6609 9.6609 9.6609 9.9477 9.9477 9.9477 9.9477 10.2121 10.2121 10.2121 10.2121 15.1276 15.1276 15.1276 15.1276 17.2834 17.2834 17.2834 17.2834 k = 0.2745 0.1585 0.2897 ( 2600 PWs) bands (ev): -14.2226 -14.2226 -14.2226 -14.2226 -4.9548 -4.9548 -4.9548 -4.9548 -0.6416 -0.6416 -0.6416 -0.6416 1.1063 1.1063 1.1063 1.1063 1.5847 1.5847 1.5847 1.5847 9.6707 9.6707 9.6707 9.6707 9.9546 9.9546 9.9546 9.9546 10.2039 10.2039 10.2039 10.2039 15.1159 15.1159 15.1159 15.1159 17.2915 17.2915 17.2915 17.2915 k = 0.2843 0.1641 0.2897 ( 2604 PWs) bands (ev): -14.2098 -14.2098 -14.2098 -14.2098 -4.9635 -4.9635 -4.9635 -4.9635 -0.6639 -0.6639 -0.6639 -0.6639 1.0758 1.0758 1.0758 1.0758 1.5627 1.5627 1.5627 1.5627 9.6799 9.6799 9.6799 9.6799 9.9609 9.9609 9.9609 9.9609 10.1946 10.1946 10.1946 10.1946 15.1066 15.1066 15.1066 15.1066 17.2984 17.2984 17.2984 17.2984 k = 0.2941 0.1698 0.2897 ( 2604 PWs) bands (ev): -14.1970 -14.1970 -14.1970 -14.1970 -4.9725 -4.9725 -4.9725 -4.9725 -0.6854 -0.6854 -0.6854 -0.6854 1.0462 1.0462 1.0462 1.0462 1.5410 1.5410 1.5410 1.5410 9.6883 9.6883 9.6883 9.6883 9.9667 9.9667 9.9667 9.9667 10.1844 10.1844 10.1844 10.1844 15.0998 15.0998 15.0998 15.0998 17.3039 17.3039 17.3039 17.3039 k = 0.3039 0.1755 0.2897 ( 2600 PWs) bands (ev): -14.1845 -14.1845 -14.1845 -14.1845 -4.9816 -4.9816 -4.9816 -4.9816 -0.7060 -0.7060 -0.7060 -0.7060 1.0174 1.0174 1.0174 1.0174 1.5198 1.5198 1.5198 1.5198 9.6958 9.6958 9.6958 9.6958 9.9717 9.9717 9.9717 9.9717 10.1736 10.1736 10.1736 10.1736 15.0954 15.0954 15.0954 15.0954 17.3079 17.3079 17.3079 17.3079 k = 0.3137 0.1811 0.2897 ( 2604 PWs) bands (ev): -14.1721 -14.1721 -14.1721 -14.1721 -4.9909 -4.9909 -4.9909 -4.9909 -0.7257 -0.7257 -0.7257 -0.7257 0.9896 0.9896 0.9896 0.9896 1.4990 1.4990 1.4990 1.4990 9.7023 9.7023 9.7023 9.7023 9.9759 9.9759 9.9759 9.9759 10.1627 10.1627 10.1627 10.1627 15.0935 15.0935 15.0935 15.0935 17.3102 17.3102 17.3102 17.3102 k = 0.3235 0.1868 0.2897 ( 2600 PWs) bands (ev): -14.1601 -14.1601 -14.1601 -14.1601 -5.0002 -5.0002 -5.0002 -5.0002 -0.7443 -0.7443 -0.7443 -0.7443 0.9629 0.9629 0.9629 0.9629 1.4789 1.4789 1.4789 1.4789 9.7077 9.7077 9.7077 9.7077 9.9793 9.9793 9.9793 9.9793 10.1520 10.1520 10.1520 10.1520 15.0939 15.0939 15.0939 15.0939 17.3109 17.3109 17.3109 17.3109 k = 0.3333 0.1925 0.2897 ( 2602 PWs) bands (ev): -14.1483 -14.1483 -14.1483 -14.1483 -5.0095 -5.0095 -5.0095 -5.0095 -0.7620 -0.7620 -0.7620 -0.7620 0.9372 0.9372 0.9372 0.9372 1.4594 1.4594 1.4594 1.4594 9.7119 9.7119 9.7119 9.7119 9.9819 9.9819 9.9819 9.9819 10.1418 10.1418 10.1418 10.1418 15.0965 15.0965 15.0965 15.0965 17.3100 17.3100 17.3100 17.3100 k = 0.3431 0.1981 0.2897 ( 2602 PWs) bands (ev): -14.1369 -14.1369 -14.1369 -14.1369 -5.0188 -5.0188 -5.0188 -5.0188 -0.7785 -0.7785 -0.7785 -0.7785 0.9126 0.9126 0.9126 0.9126 1.4406 1.4406 1.4406 1.4406 9.7149 9.7149 9.7149 9.7149 9.9836 9.9836 9.9836 9.9836 10.1324 10.1324 10.1324 10.1324 15.1011 15.1011 15.1011 15.1011 17.3075 17.3075 17.3075 17.3075 k = 0.3529 0.2038 0.2897 ( 2608 PWs) bands (ev): -14.1259 -14.1259 -14.1259 -14.1259 -5.0280 -5.0280 -5.0280 -5.0280 -0.7940 -0.7940 -0.7940 -0.7940 0.8892 0.8892 0.8892 0.8892 1.4226 1.4226 1.4226 1.4226 9.7166 9.7166 9.7166 9.7166 9.9843 9.9843 9.9843 9.9843 10.1241 10.1241 10.1241 10.1241 15.1075 15.1075 15.1075 15.1075 17.3035 17.3035 17.3035 17.3035 k = 0.3627 0.2094 0.2897 ( 2600 PWs) bands (ev): -14.1153 -14.1153 -14.1153 -14.1153 -5.0370 -5.0370 -5.0370 -5.0370 -0.8084 -0.8084 -0.8084 -0.8084 0.8670 0.8670 0.8670 0.8670 1.4055 1.4055 1.4055 1.4055 9.7171 9.7171 9.7171 9.7171 9.9842 9.9842 9.9842 9.9842 10.1170 10.1170 10.1170 10.1170 15.1155 15.1155 15.1155 15.1155 17.2983 17.2983 17.2983 17.2983 k = 0.3725 0.2151 0.2897 ( 2604 PWs) bands (ev): -14.1053 -14.1053 -14.1053 -14.1053 -5.0458 -5.0458 -5.0458 -5.0458 -0.8217 -0.8217 -0.8217 -0.8217 0.8462 0.8462 0.8462 0.8462 1.3894 1.3894 1.3894 1.3894 9.7165 9.7165 9.7165 9.7165 9.9833 9.9833 9.9833 9.9833 10.1111 10.1111 10.1111 10.1111 15.1248 15.1248 15.1248 15.1248 17.2918 17.2918 17.2918 17.2918 k = 0.3824 0.2208 0.2897 ( 2604 PWs) bands (ev): -14.0958 -14.0958 -14.0958 -14.0958 -5.0542 -5.0542 -5.0542 -5.0542 -0.8340 -0.8340 -0.8340 -0.8340 0.8267 0.8267 0.8267 0.8267 1.3741 1.3741 1.3741 1.3741 9.7147 9.7147 9.7147 9.7147 9.9818 9.9818 9.9818 9.9818 10.1064 10.1064 10.1064 10.1064 15.1352 15.1352 15.1352 15.1352 17.2845 17.2845 17.2845 17.2845 k = 0.3922 0.2264 0.2897 ( 2600 PWs) bands (ev): -14.0868 -14.0868 -14.0868 -14.0868 -5.0623 -5.0623 -5.0623 -5.0623 -0.8451 -0.8451 -0.8451 -0.8451 0.8085 0.8085 0.8085 0.8085 1.3599 1.3599 1.3599 1.3599 9.7120 9.7120 9.7120 9.7120 9.9800 9.9800 9.9800 9.9800 10.1029 10.1029 10.1029 10.1029 15.1463 15.1463 15.1463 15.1463 17.2763 17.2763 17.2763 17.2763 k = 0.4020 0.2321 0.2897 ( 2596 PWs) bands (ev): -14.0786 -14.0786 -14.0786 -14.0786 -5.0699 -5.0699 -5.0699 -5.0699 -0.8552 -0.8552 -0.8552 -0.8552 0.7918 0.7918 0.7918 0.7918 1.3468 1.3468 1.3468 1.3468 9.7085 9.7085 9.7085 9.7085 9.9779 9.9779 9.9779 9.9779 10.1004 10.1004 10.1004 10.1004 15.1579 15.1579 15.1579 15.1579 17.2677 17.2677 17.2677 17.2677 k = 0.4118 0.2377 0.2897 ( 2586 PWs) bands (ev): -14.0709 -14.0709 -14.0709 -14.0709 -5.0770 -5.0770 -5.0770 -5.0770 -0.8642 -0.8642 -0.8642 -0.8642 0.7765 0.7765 0.7765 0.7765 1.3348 1.3348 1.3348 1.3348 9.7044 9.7044 9.7044 9.7044 9.9757 9.9757 9.9757 9.9757 10.0985 10.0985 10.0985 10.0985 15.1697 15.1697 15.1697 15.1697 17.2588 17.2588 17.2588 17.2588 k = 0.4216 0.2434 0.2897 ( 2590 PWs) bands (ev): -14.0640 -14.0640 -14.0640 -14.0640 -5.0835 -5.0835 -5.0835 -5.0835 -0.8722 -0.8722 -0.8722 -0.8722 0.7628 0.7628 0.7628 0.7628 1.3240 1.3240 1.3240 1.3240 9.7001 9.7001 9.7001 9.7001 9.9737 9.9737 9.9737 9.9737 10.0973 10.0973 10.0973 10.0973 15.1814 15.1814 15.1814 15.1814 17.2500 17.2500 17.2500 17.2500 k = 0.4314 0.2491 0.2897 ( 2592 PWs) bands (ev): -14.0578 -14.0578 -14.0578 -14.0578 -5.0894 -5.0894 -5.0894 -5.0894 -0.8792 -0.8792 -0.8792 -0.8792 0.7505 0.7505 0.7505 0.7505 1.3143 1.3143 1.3143 1.3143 9.6955 9.6955 9.6955 9.6955 9.9718 9.9718 9.9718 9.9718 10.0965 10.0965 10.0965 10.0965 15.1925 15.1925 15.1925 15.1925 17.2413 17.2413 17.2413 17.2413 k = 0.4412 0.2547 0.2897 ( 2588 PWs) bands (ev): -14.0524 -14.0524 -14.0524 -14.0524 -5.0947 -5.0947 -5.0947 -5.0947 -0.8852 -0.8852 -0.8852 -0.8852 0.7399 0.7399 0.7399 0.7399 1.3059 1.3059 1.3059 1.3059 9.6911 9.6911 9.6911 9.6911 9.9702 9.9702 9.9702 9.9702 10.0961 10.0961 10.0961 10.0961 15.2030 15.2030 15.2030 15.2030 17.2332 17.2332 17.2332 17.2332 k = 0.4510 0.2604 0.2897 ( 2586 PWs) bands (ev): -14.0478 -14.0478 -14.0478 -14.0478 -5.0992 -5.0992 -5.0992 -5.0992 -0.8902 -0.8902 -0.8902 -0.8902 0.7308 0.7308 0.7308 0.7308 1.2987 1.2987 1.2987 1.2987 9.6870 9.6870 9.6870 9.6870 9.9688 9.9688 9.9688 9.9688 10.0958 10.0958 10.0958 10.0958 15.2123 15.2123 15.2123 15.2123 17.2259 17.2259 17.2259 17.2259 k = 0.4608 0.2660 0.2897 ( 2582 PWs) bands (ev): -14.0440 -14.0440 -14.0440 -14.0440 -5.1029 -5.1029 -5.1029 -5.1029 -0.8943 -0.8943 -0.8943 -0.8943 0.7233 0.7233 0.7233 0.7233 1.2928 1.2928 1.2928 1.2928 9.6834 9.6834 9.6834 9.6834 9.9677 9.9677 9.9677 9.9677 10.0957 10.0957 10.0957 10.0957 15.2203 15.2203 15.2203 15.2203 17.2196 17.2196 17.2196 17.2196 k = 0.4706 0.2717 0.2897 ( 2582 PWs) bands (ev): -14.0410 -14.0410 -14.0410 -14.0410 -5.1059 -5.1059 -5.1059 -5.1059 -0.8974 -0.8974 -0.8974 -0.8974 0.7175 0.7175 0.7175 0.7175 1.2882 1.2882 1.2882 1.2882 9.6804 9.6804 9.6804 9.6804 9.9669 9.9669 9.9669 9.9669 10.0957 10.0957 10.0957 10.0957 15.2269 15.2269 15.2269 15.2269 17.2144 17.2144 17.2144 17.2144 k = 0.4804 0.2774 0.2897 ( 2588 PWs) bands (ev): -14.0388 -14.0388 -14.0388 -14.0388 -5.1080 -5.1080 -5.1080 -5.1080 -0.8997 -0.8997 -0.8997 -0.8997 0.7134 0.7134 0.7134 0.7134 1.2849 1.2849 1.2849 1.2849 9.6782 9.6782 9.6782 9.6782 9.9663 9.9663 9.9663 9.9663 10.0956 10.0956 10.0956 10.0956 15.2316 15.2316 15.2316 15.2316 17.2106 17.2106 17.2106 17.2106 k = 0.4902 0.2830 0.2897 ( 2584 PWs) bands (ev): -14.0376 -14.0376 -14.0376 -14.0376 -5.1093 -5.1093 -5.1093 -5.1093 -0.9010 -0.9010 -0.9010 -0.9010 0.7109 0.7109 0.7109 0.7109 1.2829 1.2829 1.2829 1.2829 9.6769 9.6769 9.6769 9.6769 9.9659 9.9659 9.9659 9.9659 10.0957 10.0957 10.0957 10.0957 15.2346 15.2346 15.2346 15.2346 17.2083 17.2083 17.2083 17.2083 k = 0.5000 0.2887 0.2897 ( 2584 PWs) bands (ev): -14.0371 -14.0371 -14.0371 -14.0371 -5.1097 -5.1097 -5.1097 -5.1097 -0.9015 -0.9015 -0.9015 -0.9015 0.7100 0.7100 0.7100 0.7100 1.2822 1.2822 1.2822 1.2822 9.6764 9.6764 9.6764 9.6764 9.9658 9.9658 9.9658 9.9658 10.0957 10.0957 10.0957 10.0957 15.2355 15.2355 15.2355 15.2355 17.2075 17.2075 17.2075 17.2075 k = 0.5000 0.2887 0.2897 ( 2584 PWs) bands (ev): -14.0371 -14.0371 -14.0371 -14.0371 -5.1097 -5.1097 -5.1097 -5.1097 -0.9015 -0.9015 -0.9015 -0.9015 0.7100 0.7100 0.7100 0.7100 1.2822 1.2822 1.2822 1.2822 9.6764 9.6764 9.6764 9.6764 9.9658 9.9658 9.9658 9.9658 10.0957 10.0957 10.0957 10.0957 15.2355 15.2355 15.2355 15.2355 17.2075 17.2075 17.2075 17.2075 k = 0.4943 0.2986 0.2897 ( 2584 PWs) bands (ev): -14.0370 -14.0370 -14.0370 -14.0370 -5.1123 -5.1123 -5.1069 -5.1069 -0.9235 -0.9235 -0.8809 -0.8809 0.6807 0.6807 0.7374 0.7374 1.2748 1.2748 1.2912 1.2912 9.6714 9.6714 9.6825 9.6825 9.9301 9.9301 9.9429 9.9429 10.1148 10.1148 10.1368 10.1368 15.2343 15.2343 15.2396 15.2396 17.2082 17.2082 17.2084 17.2084 k = 0.4885 0.3086 0.2897 ( 2586 PWs) bands (ev): -14.0366 -14.0366 -14.0366 -14.0366 -5.1146 -5.1146 -5.1038 -5.1038 -0.9469 -0.9469 -0.8617 -0.8617 0.6497 0.6497 0.7624 0.7624 1.2690 1.2690 1.3014 1.3014 9.6665 9.6665 9.6895 9.6895 9.8750 9.8750 9.8859 9.8859 10.1697 10.1697 10.1997 10.1997 15.2357 15.2357 15.2465 15.2465 17.2105 17.2105 17.2108 17.2108 k = 0.4828 0.3185 0.2897 ( 2580 PWs) bands (ev): -14.0359 -14.0359 -14.0359 -14.0359 -5.1167 -5.1167 -5.1006 -5.1006 -0.9715 -0.9715 -0.8441 -0.8441 0.6173 0.6173 0.7851 0.7851 1.2651 1.2651 1.3126 1.3126 9.6592 9.6592 9.6959 9.6959 9.8203 9.8203 9.8240 9.8240 10.2328 10.2328 10.2674 10.2674 15.2400 15.2400 15.2562 15.2562 17.2142 17.2142 17.2149 17.2149 k = 0.4770 0.3285 0.2897 ( 2580 PWs) bands (ev): -14.0349 -14.0349 -14.0349 -14.0349 -5.1186 -5.1186 -5.0971 -5.0971 -0.9973 -0.9973 -0.8281 -0.8281 0.5840 0.5840 0.8051 0.8051 1.2631 1.2631 1.3246 1.3246 9.6430 9.6430 9.6927 9.6927 9.7723 9.7723 9.7757 9.7757 10.2978 10.2978 10.3362 10.3362 15.2472 15.2472 15.2689 15.2689 17.2194 17.2194 17.2204 17.2204 k = 0.4713 0.3384 0.2897 ( 2580 PWs) bands (ev): -14.0337 -14.0337 -14.0337 -14.0337 -5.1202 -5.1202 -5.0934 -5.0934 -1.0241 -1.0241 -0.8137 -0.8137 0.5501 0.5501 0.8225 0.8225 1.2630 1.2630 1.3370 1.3370 9.6098 9.6098 9.6560 9.6560 9.7507 9.7507 9.7563 9.7563 10.3629 10.3629 10.4047 10.4047 15.2573 15.2573 15.2845 15.2845 17.2259 17.2259 17.2272 17.2272 k = 0.4655 0.3484 0.2897 ( 2588 PWs) bands (ev): -14.0322 -14.0322 -14.0322 -14.0322 -5.1217 -5.1217 -5.0895 -5.0895 -1.0519 -1.0519 -0.8009 -0.8009 0.5160 0.5160 0.8374 0.8374 1.2646 1.2646 1.3497 1.3497 9.5613 9.5613 9.5970 9.5970 9.7440 9.7440 9.7656 9.7656 10.4273 10.4273 10.4722 10.4722 15.2704 15.2704 15.3033 15.3033 17.2333 17.2333 17.2353 17.2353 k = 0.4598 0.3584 0.2897 ( 2584 PWs) bands (ev): -14.0305 -14.0305 -14.0305 -14.0305 -5.1229 -5.1229 -5.0855 -5.0855 -1.0805 -1.0805 -0.7899 -0.7899 0.4821 0.4821 0.8501 0.8501 1.2677 1.2677 1.3624 1.3624 9.5055 9.5055 9.5336 9.5336 9.7478 9.7478 9.7822 9.7822 10.4906 10.4906 10.5385 10.5385 15.2867 15.2867 15.3252 15.3252 17.2417 17.2417 17.2443 17.2443 k = 0.4540 0.3683 0.2897 ( 2576 PWs) bands (ev): -14.0285 -14.0285 -14.0285 -14.0285 -5.1239 -5.1239 -5.0814 -5.0814 -1.1097 -1.1097 -0.7807 -0.7807 0.4486 0.4486 0.8609 0.8609 1.2719 1.2719 1.3750 1.3750 9.4475 9.4475 9.4703 9.4703 9.7570 9.7570 9.8022 9.8022 10.5522 10.5522 10.6030 10.6030 15.3063 15.3063 15.3506 15.3506 17.2505 17.2505 17.2541 17.2541 k = 0.4483 0.3783 0.2897 ( 2572 PWs) bands (ev): -14.0264 -14.0264 -14.0264 -14.0264 -5.1248 -5.1248 -5.0771 -5.0771 -1.1394 -1.1394 -0.7732 -0.7732 0.4159 0.4159 0.8702 0.8702 1.2768 1.2768 1.3872 1.3872 9.3895 9.3895 9.4081 9.4081 9.7696 9.7696 9.8243 9.8243 10.6119 10.6119 10.6655 10.6655 15.3292 15.3292 15.3794 15.3794 17.2596 17.2596 17.2642 17.2642 k = 0.4425 0.3882 0.2897 ( 2580 PWs) bands (ev): -14.0241 -14.0241 -14.0241 -14.0241 -5.1255 -5.1255 -5.0729 -5.0729 -1.1695 -1.1695 -0.7675 -0.7675 0.3844 0.3844 0.8783 0.8783 1.2820 1.2820 1.3990 1.3990 9.3324 9.3324 9.3476 9.3476 9.7844 9.7844 9.8479 9.8479 10.6694 10.6694 10.7256 10.7256 15.3556 15.3556 15.4118 15.4118 17.2685 17.2685 17.2744 17.2744 k = 0.4368 0.3982 0.2897 ( 2580 PWs) bands (ev): -14.0216 -14.0216 -14.0216 -14.0216 -5.1261 -5.1261 -5.0686 -5.0686 -1.1997 -1.1997 -0.7635 -0.7635 0.3542 0.3542 0.8856 0.8856 1.2871 1.2871 1.4102 1.4102 9.2770 9.2770 9.2893 9.2893 9.8008 9.8008 9.8726 9.8726 10.7245 10.7245 10.7833 10.7833 15.3857 15.3857 15.4479 15.4479 17.2767 17.2767 17.2842 17.2842 k = 0.4310 0.4081 0.2897 ( 2584 PWs) bands (ev): -14.0189 -14.0189 -14.0189 -14.0189 -5.1266 -5.1266 -5.0643 -5.0643 -1.2298 -1.2298 -0.7613 -0.7613 0.3257 0.3257 0.8926 0.8926 1.2917 1.2917 1.4206 1.4206 9.2236 9.2236 9.2333 9.2333 9.8182 9.8182 9.8979 9.8979 10.7769 10.7769 10.8382 10.8382 15.4195 15.4195 15.4878 15.4878 17.2838 17.2838 17.2931 17.2931 k = 0.4253 0.4181 0.2897 ( 2584 PWs) bands (ev): -14.0162 -14.0162 -14.0162 -14.0162 -5.1270 -5.1270 -5.0600 -5.0600 -1.2597 -1.2597 -0.7607 -0.7607 0.2990 0.2990 0.8994 0.8994 1.2956 1.2956 1.4303 1.4303 9.1724 9.1724 9.1799 9.1799 9.8364 9.8364 9.9237 9.9237 10.8265 10.8265 10.8902 10.8902 15.4570 15.4570 15.5315 15.5315 17.2891 17.2891 17.3005 17.3005 k = 0.4195 0.4280 0.2897 ( 2580 PWs) bands (ev): -14.0133 -14.0133 -14.0133 -14.0133 -5.1273 -5.1273 -5.0559 -5.0559 -1.2892 -1.2892 -0.7618 -0.7618 0.2743 0.2743 0.9064 0.9064 1.2984 1.2984 1.4391 1.4391 9.1238 9.1238 9.1292 9.1292 9.8548 9.8548 9.9494 9.9494 10.8730 10.8730 10.9391 10.9391 15.4984 15.4984 15.5790 15.5790 17.2921 17.2921 17.3058 17.3058 k = 0.4138 0.4380 0.2897 ( 2582 PWs) bands (ev): -14.0104 -14.0104 -14.0104 -14.0104 -5.1276 -5.1276 -5.0519 -5.0519 -1.3180 -1.3180 -0.7643 -0.7643 0.2517 0.2517 0.9137 0.9137 1.3000 1.3000 1.4471 1.4471 9.0778 9.0778 9.0814 9.0814 9.8733 9.8733 9.9749 9.9749 10.9165 10.9165 10.9848 10.9848 15.5435 15.5435 15.6303 15.6303 17.2922 17.2922 17.3083 17.3083 k = 0.4080 0.4479 0.2897 ( 2582 PWs) bands (ev): -14.0075 -14.0075 -14.0075 -14.0075 -5.1279 -5.1279 -5.0480 -5.0480 -1.3459 -1.3459 -0.7681 -0.7681 0.2312 0.2312 0.9216 0.9216 1.3002 1.3002 1.4541 1.4541 9.0347 9.0347 9.0366 9.0366 9.8914 9.8914 9.9997 9.9997 10.9567 10.9567 11.0273 11.0273 15.5923 15.5923 15.6853 15.6853 17.2888 17.2888 17.3074 17.3074 k = 0.4023 0.4579 0.2897 ( 2578 PWs) bands (ev): -14.0046 -14.0046 -14.0046 -14.0046 -5.1281 -5.1281 -5.0443 -5.0443 -1.3727 -1.3727 -0.7731 -0.7731 0.2129 0.2129 0.9300 0.9300 1.2989 1.2989 1.4602 1.4602 8.9945 8.9945 8.9949 8.9949 9.9090 9.9090 10.0237 10.0237 10.9937 10.9937 11.0664 11.0664 15.6446 15.6446 15.7438 15.7438 17.2812 17.2812 17.3024 17.3024 k = 0.3966 0.4679 0.2897 ( 2582 PWs) bands (ev): -14.0017 -14.0017 -14.0017 -14.0017 -5.1284 -5.1284 -5.0409 -5.0409 -1.3983 -1.3983 -0.7789 -0.7789 0.1968 0.1968 0.9390 0.9390 1.2962 1.2962 1.4655 1.4655 8.9565 8.9565 8.9574 8.9574 9.9257 9.9257 10.0464 10.0464 11.0274 11.0274 11.1020 11.1020 15.7001 15.7001 15.8055 15.8055 17.2690 17.2690 17.2926 17.2926 k = 0.3908 0.4778 0.2897 ( 2590 PWs) bands (ev): -13.9989 -13.9989 -13.9989 -13.9989 -5.1287 -5.1287 -5.0378 -5.0378 -1.4223 -1.4223 -0.7855 -0.7855 0.1827 0.1827 0.9487 0.9487 1.2919 1.2919 1.4699 1.4699 8.9214 8.9214 8.9233 8.9233 9.9414 9.9414 10.0677 10.0677 11.0578 11.0578 11.1343 11.1343 15.7584 15.7584 15.8701 15.8701 17.2519 17.2519 17.2776 17.2776 k = 0.3851 0.4878 0.2897 ( 2586 PWs) bands (ev): -13.9962 -13.9962 -13.9962 -13.9962 -5.1290 -5.1290 -5.0349 -5.0349 -1.4447 -1.4447 -0.7924 -0.7924 0.1706 0.1706 0.9591 0.9591 1.2862 1.2862 1.4735 1.4735 8.8896 8.8896 8.8925 8.8925 9.9559 9.9559 10.0873 10.0873 11.0849 11.0849 11.1632 11.1632 15.8189 15.8189 15.9372 15.9372 17.2298 17.2298 17.2571 17.2571 k = 0.3793 0.4977 0.2897 ( 2582 PWs) bands (ev): -13.9936 -13.9936 -13.9936 -13.9936 -5.1293 -5.1293 -5.0324 -5.0324 -1.4653 -1.4653 -0.7995 -0.7995 0.1602 0.1602 0.9700 0.9700 1.2791 1.2791 1.4763 1.4763 8.8612 8.8612 8.8650 8.8650 9.9690 9.9690 10.1051 10.1051 11.1087 11.1087 11.1888 11.1888 15.8811 15.8811 16.0061 16.0061 17.2028 17.2028 17.2308 17.2308 k = 0.3736 0.5077 0.2897 ( 2582 PWs) bands (ev): -13.9912 -13.9912 -13.9912 -13.9912 -5.1297 -5.1297 -5.0301 -5.0301 -1.4838 -1.4838 -0.8065 -0.8065 0.1516 0.1516 0.9814 0.9814 1.2708 1.2708 1.4785 1.4785 8.8363 8.8363 8.8407 8.8407 9.9806 9.9806 10.1209 10.1209 11.1294 11.1294 11.2110 11.2110 15.9439 15.9439 16.0760 16.0760 17.1714 17.1714 17.1992 17.1992 k = 0.3678 0.5176 0.2897 ( 2580 PWs) bands (ev): -13.9890 -13.9890 -13.9890 -13.9890 -5.1300 -5.1300 -5.0283 -5.0283 -1.5002 -1.5002 -0.8131 -0.8131 0.1445 0.1445 0.9931 0.9931 1.2616 1.2616 1.4801 1.4801 8.8147 8.8147 8.8198 8.8198 9.9906 9.9906 10.1346 10.1346 11.1470 11.1470 11.2300 11.2300 16.0063 16.0063 16.1459 16.1459 17.1366 17.1366 17.1627 17.1627 k = 0.3621 0.5276 0.2897 ( 2580 PWs) bands (ev): -13.9871 -13.9871 -13.9871 -13.9871 -5.1304 -5.1304 -5.0267 -5.0267 -1.5143 -1.5143 -0.8191 -0.8191 0.1387 0.1387 1.0048 1.0048 1.2518 1.2518 1.4811 1.4811 8.7966 8.7966 8.8022 8.8022 9.9990 9.9990 10.1462 10.1462 11.1617 11.1617 11.2458 11.2458 16.0665 16.0665 16.2145 16.2145 17.0997 17.0997 17.1225 17.1225 k = 0.3563 0.5375 0.2897 ( 2580 PWs) bands (ev): -13.9854 -13.9854 -13.9854 -13.9854 -5.1308 -5.1308 -5.0255 -5.0255 -1.5260 -1.5260 -0.8244 -0.8244 0.1342 0.1342 1.0161 1.0161 1.2418 1.2418 1.4818 1.4818 8.7819 8.7819 8.7878 8.7878 10.0058 10.0058 10.1555 10.1555 11.1734 11.1734 11.2586 11.2586 16.1227 16.1227 16.2798 16.2798 17.0627 17.0627 17.0805 17.0805 k = 0.3506 0.5475 0.2897 ( 2580 PWs) bands (ev): -13.9840 -13.9840 -13.9840 -13.9840 -5.1311 -5.1311 -5.0246 -5.0246 -1.5352 -1.5352 -0.8287 -0.8287 0.1308 0.1308 1.0265 1.0265 1.2323 1.2323 1.4821 1.4821 8.7706 8.7706 8.7767 8.7767 10.0110 10.0110 10.1627 10.1627 11.1824 11.1824 11.2683 11.2683 16.1721 16.1721 16.3389 16.3389 17.0282 17.0282 17.0393 17.0393 k = 0.3448 0.5574 0.2897 ( 2580 PWs) bands (ev): -13.9830 -13.9830 -13.9830 -13.9830 -5.1314 -5.1314 -5.0240 -5.0240 -1.5418 -1.5418 -0.8319 -0.8319 0.1285 0.1285 1.0351 1.0351 1.2242 1.2242 1.4823 1.4823 8.7626 8.7626 8.7689 8.7689 10.0146 10.0146 10.1677 10.1677 11.1887 11.1887 11.2752 11.2752 16.2114 16.2114 16.3879 16.3879 16.9995 16.9995 17.0030 17.0030 k = 0.3391 0.5674 0.2897 ( 2578 PWs) bands (ev): -13.9824 -13.9824 -13.9824 -13.9824 -5.1316 -5.1316 -5.0236 -5.0236 -1.5458 -1.5458 -0.8339 -0.8339 0.1271 0.1271 1.0411 1.0411 1.2185 1.2185 1.4823 1.4823 8.7579 8.7579 8.7643 8.7643 10.0167 10.0167 10.1706 10.1706 11.1924 11.1924 11.2792 11.2792 16.2370 16.2370 16.4213 16.4213 16.9773 16.9773 16.9802 16.9802 k = 0.3333 0.5774 0.2897 ( 2574 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1317 -5.1317 -5.0235 -5.0235 -1.5471 -1.5471 -0.8345 -0.8345 0.1267 0.1267 1.0432 1.0432 1.2163 1.2163 1.4823 1.4823 8.7563 8.7563 8.7627 8.7627 10.0173 10.0173 10.1716 10.1716 11.1936 11.1936 11.2806 11.2806 16.2460 16.2460 16.4332 16.4332 16.9679 16.9679 16.9734 16.9734 k = 0.3333 0.5774 0.2897 ( 2574 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1317 -5.1317 -5.0235 -5.0235 -1.5471 -1.5471 -0.8345 -0.8345 0.1267 0.1267 1.0432 1.0432 1.2163 1.2163 1.4823 1.4823 8.7563 8.7563 8.7627 8.7627 10.0173 10.0173 10.1716 10.1716 11.1936 11.1936 11.2806 11.2806 16.2460 16.2460 16.4332 16.4332 16.9679 16.9679 16.9734 16.9734 k = 0.3276 0.5674 0.2897 ( 2576 PWs) bands (ev): -13.9824 -13.9824 -13.9824 -13.9824 -5.1316 -5.1316 -5.0236 -5.0236 -1.5458 -1.5458 -0.8339 -0.8339 0.1271 0.1271 1.0409 1.0409 1.2186 1.2186 1.4823 1.4823 8.7578 8.7578 8.7642 8.7642 10.0167 10.0167 10.1706 10.1706 11.1924 11.1924 11.2793 11.2793 16.2370 16.2370 16.4212 16.4212 16.9774 16.9774 16.9802 16.9802 k = 0.3218 0.5574 0.2897 ( 2576 PWs) bands (ev): -13.9831 -13.9831 -13.9831 -13.9831 -5.1313 -5.1313 -5.0239 -5.0239 -1.5418 -1.5418 -0.8318 -0.8318 0.1285 0.1285 1.0342 1.0342 1.2254 1.2254 1.4825 1.4825 8.7624 8.7624 8.7687 8.7687 10.0149 10.0149 10.1680 10.1680 11.1889 11.1889 11.2754 11.2754 16.2113 16.2113 16.3878 16.3878 16.9995 16.9995 17.0034 17.0034 k = 0.3161 0.5475 0.2897 ( 2576 PWs) bands (ev): -13.9843 -13.9843 -13.9843 -13.9843 -5.1308 -5.1308 -5.0242 -5.0242 -1.5351 -1.5351 -0.8285 -0.8285 0.1309 0.1309 1.0237 1.0237 1.2361 1.2361 1.4829 1.4829 8.7698 8.7698 8.7760 8.7760 10.0121 10.0121 10.1639 10.1639 11.1832 11.1832 11.2691 11.2691 16.1718 16.1718 16.3384 16.3384 17.0283 17.0283 17.0403 17.0403 k = 0.3103 0.5375 0.2897 ( 2580 PWs) bands (ev): -13.9860 -13.9860 -13.9860 -13.9860 -5.1300 -5.1300 -5.0246 -5.0246 -1.5259 -1.5259 -0.8239 -0.8239 0.1343 0.1343 1.0103 1.0103 1.2499 1.2499 1.4835 1.4835 8.7800 8.7800 8.7861 8.7861 10.0084 10.0084 10.1584 10.1584 11.1753 11.1753 11.2604 11.2604 16.1220 16.1220 16.2786 16.2786 17.0629 17.0629 17.0829 17.0829 k = 0.3046 0.5276 0.2897 ( 2580 PWs) bands (ev): -13.9882 -13.9882 -13.9882 -13.9882 -5.1289 -5.1289 -5.0249 -5.0249 -1.5141 -1.5141 -0.8181 -0.8181 0.1389 0.1389 0.9950 0.9950 1.2660 1.2660 1.4845 1.4845 8.7928 8.7928 8.7987 8.7987 10.0039 10.0039 10.1517 10.1517 11.1654 11.1654 11.2494 11.2494 16.0651 16.0651 16.2123 16.2123 17.1003 17.1003 17.1271 17.1271 k = 0.2989 0.5176 0.2897 ( 2584 PWs) bands (ev): -13.9910 -13.9910 -13.9910 -13.9910 -5.1275 -5.1275 -5.0252 -5.0252 -1.4998 -1.4998 -0.8112 -0.8112 0.1448 0.1448 0.9785 0.9785 1.2838 1.2838 1.4858 1.4858 8.8081 8.8081 8.8139 8.8139 9.9989 9.9989 10.1440 10.1440 11.1534 11.1534 11.2362 11.2362 16.0035 16.0035 16.1422 16.1422 17.1381 17.1381 17.1704 17.1704 k = 0.2931 0.5077 0.2897 ( 2586 PWs) bands (ev): -13.9944 -13.9944 -13.9944 -13.9944 -5.1256 -5.1256 -5.0254 -5.0254 -1.4832 -1.4832 -0.8034 -0.8034 0.1522 0.1522 0.9615 0.9615 1.3029 1.3029 1.4875 1.4875 8.8257 8.8257 8.8314 8.8314 9.9935 9.9935 10.1355 10.1355 11.1395 11.1395 11.2208 11.2208 15.9391 15.9391 16.0703 16.0703 17.1743 17.1743 17.2110 17.2110 k = 0.2874 0.4977 0.2897 ( 2582 PWs) bands (ev): -13.9984 -13.9984 -13.9984 -13.9984 -5.1233 -5.1233 -5.0253 -5.0253 -1.4642 -1.4642 -0.7949 -0.7949 0.1613 0.1613 0.9443 0.9443 1.3229 1.3229 1.4896 1.4896 8.8456 8.8456 8.8512 8.8512 9.9878 9.9878 10.1264 10.1264 11.1237 11.1237 11.2034 11.2034 15.8734 15.8734 15.9977 15.9977 17.2077 17.2077 17.2478 17.2478 k = 0.2816 0.4878 0.2897 ( 2586 PWs) bands (ev): -14.0029 -14.0029 -14.0029 -14.0029 -5.1206 -5.1206 -5.0251 -5.0251 -1.4431 -1.4431 -0.7857 -0.7857 0.1722 0.1722 0.9273 0.9273 1.3435 1.3435 1.4920 1.4920 8.8674 8.8674 8.8730 8.8730 9.9820 9.9820 10.1168 10.1168 11.1061 11.1061 11.1839 11.1839 15.8075 15.8075 15.9255 15.9255 17.2375 17.2375 17.2802 17.2802 k = 0.2759 0.4778 0.2897 ( 2588 PWs) bands (ev): -14.0081 -14.0081 -14.0081 -14.0081 -5.1174 -5.1174 -5.0245 -5.0245 -1.4200 -1.4200 -0.7761 -0.7761 0.1852 0.1852 0.9109 0.9109 1.3646 1.3646 1.4949 1.4949 8.8911 8.8911 8.8966 8.8966 9.9763 9.9763 10.1069 10.1069 11.0868 11.0868 11.1625 11.1625 15.7422 15.7422 15.8543 15.8543 17.2630 17.2630 17.3078 17.3078 k = 0.2701 0.4679 0.2897 ( 2592 PWs) bands (ev): -14.0138 -14.0138 -14.0138 -14.0138 -5.1137 -5.1137 -5.0237 -5.0237 -1.3949 -1.3949 -0.7663 -0.7663 0.2004 0.2004 0.8954 0.8954 1.3861 1.3861 1.4982 1.4982 8.9165 8.9165 8.9220 8.9220 9.9707 9.9707 10.0969 10.0969 11.0659 11.0659 11.1393 11.1393 15.6781 15.6781 15.7848 15.7848 17.2840 17.2840 17.3303 17.3303 k = 0.2644 0.4579 0.2897 ( 2592 PWs) bands (ev): -14.0201 -14.0201 -14.0201 -14.0201 -5.1095 -5.1095 -5.0225 -5.0225 -1.3681 -1.3681 -0.7562 -0.7562 0.2181 0.2181 0.8809 0.8809 1.4077 1.4077 1.5018 1.5018 8.9434 8.9434 8.9489 8.9489 9.9653 9.9653 10.0868 10.0868 11.0434 11.0434 11.1142 11.1142 15.6159 15.6159 15.7174 15.7174 17.3003 17.3003 17.3477 17.3477 k = 0.2586 0.4479 0.2897 ( 2584 PWs) bands (ev): -14.0271 -14.0271 -14.0271 -14.0271 -5.1047 -5.1047 -5.0208 -5.0208 -1.3396 -1.3396 -0.7463 -0.7463 0.2383 0.2383 0.8678 0.8678 1.4295 1.4295 1.5058 1.5058 8.9715 8.9715 8.9772 8.9772 9.9604 9.9604 10.0770 10.0770 11.0194 11.0194 11.0875 11.0875 15.5560 15.5560 15.6525 15.6525 17.3120 17.3120 17.3602 17.3602 k = 0.2529 0.4380 0.2897 ( 2580 PWs) bands (ev): -14.0346 -14.0346 -14.0346 -14.0346 -5.0995 -5.0995 -5.0188 -5.0188 -1.3097 -1.3097 -0.7364 -0.7364 0.2613 0.2613 0.8562 0.8562 1.4512 1.4512 1.5101 1.5101 9.0007 9.0007 9.0066 9.0066 9.9560 9.9560 10.0673 10.0673 10.9940 10.9940 11.0592 11.0592 15.4988 15.4988 15.5906 15.5906 17.3192 17.3192 17.3679 17.3679 k = 0.2471 0.4280 0.2897 ( 2580 PWs) bands (ev): -14.0427 -14.0427 -14.0427 -14.0427 -5.0937 -5.0937 -5.0164 -5.0164 -1.2784 -1.2784 -0.7267 -0.7267 0.2872 0.2872 0.8464 0.8464 1.4730 1.4730 1.5148 1.5148 9.0307 9.0307 9.0369 9.0369 9.9522 9.9522 10.0580 10.0580 10.9673 10.9673 11.0293 11.0293 15.4446 15.4446 15.5318 15.5318 17.3223 17.3223 17.3712 17.3712 k = 0.2414 0.4181 0.2897 ( 2580 PWs) bands (ev): -14.0514 -14.0514 -14.0513 -14.0513 -5.0874 -5.0874 -5.0135 -5.0135 -1.2460 -1.2460 -0.7172 -0.7172 0.3159 0.3159 0.8384 0.8384 1.4946 1.4946 1.5196 1.5196 9.0614 9.0614 9.0679 9.0679 9.9491 9.9491 10.0492 10.0492 10.9394 10.9394 10.9979 10.9979 15.3937 15.3937 15.4764 15.4764 17.3213 17.3213 17.3703 17.3703 k = 0.2356 0.4081 0.2897 ( 2584 PWs) bands (ev): -14.0605 -14.0605 -14.0605 -14.0605 -5.0806 -5.0806 -5.0102 -5.0102 -1.2125 -1.2125 -0.7080 -0.7080 0.3475 0.3475 0.8325 0.8325 1.5161 1.5161 1.5247 1.5247 9.0926 9.0926 9.0994 9.0994 9.9467 9.9467 10.0408 10.0408 10.9104 10.9104 10.9652 10.9652 15.3464 15.3464 15.4247 15.4247 17.3168 17.3168 17.3657 17.3657 k = 0.2299 0.3982 0.2897 ( 2588 PWs) bands (ev): -14.0703 -14.0703 -14.0702 -14.0702 -5.0733 -5.0733 -5.0064 -5.0064 -1.1782 -1.1782 -0.6989 -0.6989 0.3820 0.3820 0.8288 0.8288 1.5300 1.5300 1.5373 1.5373 9.1239 9.1239 9.1311 9.1311 9.9451 9.9451 10.0330 10.0330 10.8804 10.8804 10.9311 10.9311 15.3028 15.3028 15.3770 15.3770 17.3091 17.3091 17.3577 17.3577 k = 0.2241 0.3882 0.2897 ( 2588 PWs) bands (ev): -14.0805 -14.0805 -14.0804 -14.0804 -5.0657 -5.0657 -5.0023 -5.0023 -1.1431 -1.1431 -0.6900 -0.6900 0.4193 0.4193 0.8274 0.8274 1.5355 1.5355 1.5584 1.5584 9.1552 9.1552 9.1629 9.1629 9.9444 9.9444 10.0258 10.0258 10.8496 10.8496 10.8960 10.8960 15.2631 15.2631 15.3332 15.3332 17.2986 17.2986 17.3468 17.3468 k = 0.2184 0.3783 0.2897 ( 2592 PWs) bands (ev): -14.0911 -14.0911 -14.0911 -14.0911 -5.0576 -5.0576 -4.9977 -4.9977 -1.1075 -1.1075 -0.6812 -0.6812 0.4593 0.4593 0.8285 0.8285 1.5411 1.5411 1.5791 1.5791 9.1862 9.1862 9.1944 9.1944 9.9446 9.9446 10.0191 10.0191 10.8181 10.8181 10.8597 10.8597 15.2275 15.2275 15.2937 15.2937 17.2856 17.2856 17.3333 17.3333 k = 0.2126 0.3683 0.2897 ( 2594 PWs) bands (ev): -14.1022 -14.1022 -14.1022 -14.1022 -5.0492 -5.0492 -4.9928 -4.9928 -1.0714 -1.0714 -0.6723 -0.6723 0.5019 0.5019 0.8321 0.8321 1.5468 1.5468 1.5996 1.5996 9.2168 9.2168 9.2255 9.2255 9.9456 9.9456 10.0131 10.0131 10.7860 10.7860 10.8225 10.8225 15.1961 15.1961 15.2585 15.2585 17.2706 17.2706 17.3177 17.3177 k = 0.2069 0.3584 0.2897 ( 2594 PWs) bands (ev): -14.1137 -14.1137 -14.1137 -14.1137 -5.0404 -5.0404 -4.9875 -4.9875 -1.0350 -1.0350 -0.6632 -0.6632 0.5468 0.5468 0.8383 0.8383 1.5526 1.5526 1.6197 1.6197 9.2466 9.2466 9.2558 9.2558 9.9476 9.9476 10.0076 10.0076 10.7534 10.7534 10.7844 10.7844 15.1690 15.1690 15.2276 15.2276 17.2540 17.2540 17.3004 17.3004 k = 0.2011 0.3484 0.2897 ( 2596 PWs) bands (ev): -14.1256 -14.1256 -14.1256 -14.1256 -5.0314 -5.0314 -4.9820 -4.9820 -0.9983 -0.9983 -0.6538 -0.6538 0.5940 0.5940 0.8471 0.8471 1.5586 1.5586 1.6395 1.6395 9.2755 9.2755 9.2852 9.2852 9.9505 9.9505 10.0026 10.0026 10.7207 10.7207 10.7457 10.7457 15.1462 15.1462 15.2012 15.2012 17.2362 17.2362 17.2818 17.2818 k = 0.1954 0.3384 0.2897 ( 2600 PWs) bands (ev): -14.1378 -14.1378 -14.1378 -14.1378 -5.0223 -5.0223 -4.9761 -4.9761 -0.9616 -0.9616 -0.6440 -0.6440 0.6432 0.6432 0.8586 0.8586 1.5646 1.5646 1.6589 1.6589 9.3032 9.3032 9.3134 9.3134 9.9543 9.9543 9.9981 9.9981 10.6878 10.6878 10.7064 10.7064 15.1278 15.1278 15.1793 15.1793 17.2175 17.2175 17.2623 17.2623 k = 0.1897 0.3285 0.2897 ( 2604 PWs) bands (ev): -14.1503 -14.1503 -14.1503 -14.1503 -5.0129 -5.0129 -4.9701 -4.9701 -0.9249 -0.9249 -0.6337 -0.6337 0.6942 0.6942 0.8728 0.8728 1.5708 1.5708 1.6779 1.6779 9.3296 9.3296 9.3402 9.3402 9.9588 9.9588 9.9938 9.9938 10.6550 10.6550 10.6667 10.6667 15.1137 15.1137 15.1619 15.1619 17.1983 17.1983 17.2423 17.2423 k = 0.1839 0.3185 0.2897 ( 2604 PWs) bands (ev): -14.1631 -14.1631 -14.1630 -14.1630 -5.0035 -5.0035 -4.9639 -4.9639 -0.8883 -0.8883 -0.6227 -0.6227 0.7467 0.7467 0.8896 0.8896 1.5770 1.5770 1.6966 1.6966 9.3544 9.3544 9.3654 9.3654 9.9640 9.9640 9.9898 9.9898 10.6226 10.6226 10.6267 10.6267 15.1040 15.1040 15.1489 15.1489 17.1790 17.1790 17.2221 17.2221 k = 0.1782 0.3086 0.2897 ( 2596 PWs) bands (ev): -14.1760 -14.1760 -14.1760 -14.1760 -4.9941 -4.9941 -4.9576 -4.9576 -0.8519 -0.8519 -0.6110 -0.6110 0.8006 0.8006 0.9090 0.9090 1.5834 1.5834 1.7148 1.7148 9.3776 9.3776 9.3889 9.3889 9.9697 9.9697 9.9858 9.9858 10.5868 10.5868 10.5906 10.5906 15.0984 15.0984 15.1403 15.1403 17.1600 17.1600 17.2021 17.2021 k = 0.1724 0.2986 0.2897 ( 2596 PWs) bands (ev): -14.1891 -14.1891 -14.1891 -14.1891 -4.9847 -4.9847 -4.9512 -4.9512 -0.8157 -0.8157 -0.5984 -0.5984 0.8556 0.8556 0.9309 0.9309 1.5899 1.5899 1.7327 1.7327 9.3990 9.3990 9.4104 9.4104 9.9758 9.9758 9.9816 9.9816 10.5469 10.5469 10.5593 10.5593 15.0970 15.0970 15.1358 15.1358 17.1416 17.1416 17.1827 17.1827 k = 0.1667 0.2887 0.2897 ( 2600 PWs) bands (ev): -14.2024 -14.2024 -14.2023 -14.2023 -4.9753 -4.9753 -4.9447 -4.9447 -0.7797 -0.7797 -0.5850 -0.5850 0.9114 0.9114 0.9552 0.9552 1.5965 1.5965 1.7501 1.7501 9.4184 9.4184 9.4300 9.4300 9.9771 9.9771 9.9819 9.9819 10.5075 10.5075 10.5289 10.5289 15.0995 15.0995 15.1355 15.1355 17.1242 17.1242 17.1642 17.1642 k = 0.1609 0.2787 0.2897 ( 2612 PWs) bands (ev): -14.2157 -14.2157 -14.2156 -14.2156 -4.9661 -4.9661 -4.9383 -4.9383 -0.7442 -0.7442 -0.5707 -0.5707 0.9678 0.9678 0.9818 0.9818 1.6034 1.6034 1.7672 1.7672 9.4359 9.4359 9.4475 9.4475 9.9720 9.9720 9.9878 9.9878 10.4687 10.4687 10.4995 10.4995 15.1058 15.1058 15.1391 15.1391 17.1081 17.1081 17.1470 17.1470 k = 0.1552 0.2688 0.2897 ( 2616 PWs) bands (ev): -14.2290 -14.2290 -14.2290 -14.2290 -4.9571 -4.9571 -4.9319 -4.9319 -0.7090 -0.7090 -0.5554 -0.5554 1.0105 1.0105 1.0246 1.0246 1.6105 1.6105 1.7837 1.7837 9.4515 9.4515 9.4630 9.4630 9.9662 9.9662 9.9931 9.9931 10.4308 10.4308 10.4712 10.4712 15.1157 15.1157 15.1463 15.1463 17.0937 17.0937 17.1315 17.1315 k = 0.1494 0.2588 0.2897 ( 2618 PWs) bands (ev): -14.2423 -14.2423 -14.2423 -14.2423 -4.9484 -4.9484 -4.9257 -4.9257 -0.6743 -0.6743 -0.5391 -0.5391 1.0413 1.0413 1.0815 1.0815 1.6179 1.6179 1.7999 1.7999 9.4650 9.4650 9.4766 9.4766 9.9595 9.9595 9.9973 9.9973 10.3941 10.3941 10.4442 10.4442 15.1288 15.1288 15.1569 15.1569 17.0813 17.0813 17.1180 17.1180 k = 0.1437 0.2489 0.2897 ( 2626 PWs) bands (ev): -14.2556 -14.2556 -14.2556 -14.2556 -4.9399 -4.9399 -4.9195 -4.9195 -0.6401 -0.6401 -0.5219 -0.5219 1.0738 1.0738 1.1382 1.1382 1.6256 1.6256 1.8156 1.8156 9.4767 9.4767 9.4881 9.4881 9.9517 9.9517 10.0000 10.0000 10.3589 10.3589 10.4184 10.4184 15.1450 15.1450 15.1707 15.1707 17.0713 17.0713 17.1069 17.1069 k = 0.1379 0.2389 0.2897 ( 2618 PWs) bands (ev): -14.2687 -14.2687 -14.2687 -14.2687 -4.9317 -4.9317 -4.9136 -4.9136 -0.6064 -0.6064 -0.5039 -0.5039 1.1080 1.1080 1.1944 1.1944 1.6338 1.6338 1.8307 1.8307 9.4866 9.4866 9.4979 9.4979 9.9429 9.9429 10.0008 10.0008 10.3257 10.3257 10.3938 10.3938 15.1638 15.1638 15.1873 15.1873 17.0641 17.0641 17.0985 17.0985 k = 0.1322 0.2289 0.2897 ( 2622 PWs) bands (ev): -14.2818 -14.2818 -14.2817 -14.2817 -4.9238 -4.9238 -4.9078 -4.9078 -0.5733 -0.5733 -0.4850 -0.4850 1.1437 1.1437 1.2498 1.2498 1.6425 1.6425 1.8454 1.8454 9.4948 9.4948 9.5060 9.5060 9.9329 9.9329 9.9991 9.9991 10.2947 10.2947 10.3702 10.3702 15.1849 15.1849 15.2062 15.2062 17.0599 17.0599 17.0931 17.0931 k = 0.1264 0.2190 0.2897 ( 2626 PWs) bands (ev): -14.2946 -14.2946 -14.2945 -14.2945 -4.9164 -4.9164 -4.9023 -4.9023 -0.5408 -0.5408 -0.4653 -0.4653 1.1806 1.1806 1.3042 1.3042 1.6517 1.6517 1.8596 1.8596 9.5014 9.5014 9.5125 9.5125 9.9219 9.9219 9.9947 9.9947 10.2661 10.2661 10.3474 10.3474 15.2080 15.2080 15.2273 15.2273 17.0590 17.0590 17.0912 17.0912 k = 0.1207 0.2090 0.2897 ( 2628 PWs) bands (ev): -14.3071 -14.3071 -14.3071 -14.3071 -4.9093 -4.9093 -4.8970 -4.8970 -0.5090 -0.5090 -0.4451 -0.4451 1.2186 1.2186 1.3571 1.3571 1.6618 1.6618 1.8731 1.8731 9.5067 9.5067 9.5176 9.5176 9.9100 9.9100 9.9871 9.9871 10.2401 10.2401 10.3251 10.3251 15.2326 15.2326 15.2500 15.2500 17.0619 17.0619 17.0929 17.0929 k = 0.1149 0.1991 0.2897 ( 2624 PWs) bands (ev): -14.3194 -14.3194 -14.3194 -14.3194 -4.9026 -4.9026 -4.8919 -4.8919 -0.4779 -0.4779 -0.4242 -0.4242 1.2574 1.2574 1.4082 1.4082 1.6728 1.6728 1.8860 1.8860 9.5108 9.5108 9.5216 9.5216 9.8976 9.8976 9.9766 9.9766 10.2166 10.2166 10.3031 10.3031 15.2585 15.2585 15.2740 15.2740 17.0686 17.0686 17.0986 17.0986 k = 0.1092 0.1891 0.2897 ( 2620 PWs) bands (ev): -14.3314 -14.3314 -14.3314 -14.3314 -4.8964 -4.8964 -4.8872 -4.8872 -0.4476 -0.4476 -0.4030 -0.4030 1.2968 1.2968 1.4571 1.4571 1.6849 1.6849 1.8983 1.8983 9.5139 9.5139 9.5245 9.5245 9.8846 9.8846 9.9635 9.9635 10.1951 10.1951 10.2809 10.2809 15.2851 15.2851 15.2989 15.2989 17.0794 17.0794 17.1085 17.1085 k = 0.1034 0.1792 0.2897 ( 2612 PWs) bands (ev): -14.3430 -14.3430 -14.3430 -14.3430 -4.8906 -4.8906 -4.8827 -4.8827 -0.4182 -0.4182 -0.3815 -0.3815 1.3366 1.3366 1.5032 1.5032 1.6985 1.6985 1.9099 1.9099 9.5163 9.5163 9.5266 9.5266 9.8716 9.8716 9.9482 9.9482 10.1750 10.1750 10.2583 10.2583 15.3122 15.3122 15.3244 15.3244 17.0944 17.0944 17.1227 17.1227 k = 0.0977 0.1692 0.2897 ( 2616 PWs) bands (ev): -14.3542 -14.3542 -14.3542 -14.3542 -4.8852 -4.8852 -4.8786 -4.8786 -0.3898 -0.3898 -0.3599 -0.3599 1.3766 1.3766 1.5459 1.5459 1.7139 1.7139 1.9206 1.9206 9.5181 9.5181 9.5281 9.5281 9.8586 9.8586 9.9314 9.9314 10.1556 10.1556 10.2349 10.2349 15.3394 15.3394 15.3500 15.3500 17.1137 17.1137 17.1412 17.1412 k = 0.0920 0.1593 0.2897 ( 2620 PWs) bands (ev): -14.3650 -14.3650 -14.3650 -14.3650 -4.8802 -4.8802 -4.8747 -4.8747 -0.3624 -0.3624 -0.3384 -0.3384 1.4166 1.4166 1.5845 1.5845 1.7317 1.7317 1.9306 1.9306 9.5197 9.5197 9.5293 9.5293 9.8459 9.8459 9.9139 9.9139 10.1364 10.1364 10.2105 10.2105 15.3663 15.3663 15.3755 15.3755 17.1372 17.1372 17.1641 17.1641 k = 0.0862 0.1493 0.2897 ( 2612 PWs) bands (ev): -14.3753 -14.3753 -14.3753 -14.3753 -4.8756 -4.8756 -4.8711 -4.8711 -0.3361 -0.3361 -0.3171 -0.3171 1.4564 1.4564 1.6186 1.6186 1.7521 1.7521 1.9397 1.9397 9.5214 9.5214 9.5304 9.5304 9.8336 9.8336 9.8962 9.8962 10.1167 10.1167 10.1850 10.1850 15.3927 15.3927 15.4005 15.4005 17.1648 17.1648 17.1912 17.1912 k = 0.0805 0.1394 0.2897 ( 2612 PWs) bands (ev): -14.3852 -14.3852 -14.3851 -14.3851 -4.8715 -4.8715 -4.8678 -4.8678 -0.3110 -0.3110 -0.2961 -0.2961 1.4956 1.4956 1.6479 1.6479 1.7751 1.7751 1.9478 1.9478 9.5233 9.5233 9.5316 9.5316 9.8220 9.8220 9.8788 9.8788 10.0961 10.0961 10.1582 10.1582 15.4183 15.4183 15.4248 15.4248 17.1963 17.1963 17.2224 17.2224 k = 0.0747 0.1294 0.2897 ( 2608 PWs) bands (ev): -14.3944 -14.3944 -14.3944 -14.3944 -4.8678 -4.8678 -4.8648 -4.8648 -0.2872 -0.2872 -0.2758 -0.2758 1.5341 1.5341 1.6729 1.6729 1.7999 1.7999 1.9549 1.9549 9.5258 9.5258 9.5333 9.5333 9.8111 9.8111 9.8621 9.8621 10.0744 10.0744 10.1302 10.1302 15.4428 15.4428 15.4482 15.4482 17.2314 17.2314 17.2572 17.2572 k = 0.0690 0.1195 0.2897 ( 2612 PWs) bands (ev): -14.4031 -14.4031 -14.4031 -14.4031 -4.8644 -4.8644 -4.8621 -4.8621 -0.2648 -0.2648 -0.2562 -0.2562 1.5717 1.5717 1.6945 1.6945 1.8256 1.8256 1.9610 1.9610 9.5291 9.5291 9.5356 9.5356 9.8010 9.8010 9.8463 9.8463 10.0514 10.0514 10.1009 10.1009 15.4661 15.4661 15.4705 15.4705 17.2696 17.2696 17.2953 17.2953 k = 0.0632 0.1095 0.2897 ( 2608 PWs) bands (ev): -14.4113 -14.4113 -14.4113 -14.4113 -4.8614 -4.8614 -4.8596 -4.8596 -0.2438 -0.2438 -0.2375 -0.2375 1.6081 1.6081 1.7136 1.7136 1.8509 1.8509 1.9661 1.9661 9.5334 9.5334 9.5389 9.5389 9.7918 9.7918 9.8317 9.8317 10.0271 10.0271 10.0705 10.0705 15.4881 15.4881 15.4916 15.4916 17.3104 17.3104 17.3361 17.3361 k = 0.0575 0.0995 0.2897 ( 2608 PWs) bands (ev): -14.4188 -14.4188 -14.4188 -14.4188 -4.8588 -4.8588 -4.8574 -4.8574 -0.2244 -0.2244 -0.2198 -0.2198 1.6430 1.6430 1.7310 1.7310 1.8749 1.8749 1.9702 1.9702 9.5390 9.5390 9.5434 9.5434 9.7834 9.7834 9.8182 9.8182 10.0016 10.0016 10.0391 10.0391 15.5085 15.5085 15.5112 15.5112 17.3533 17.3533 17.3789 17.3789 k = 0.0517 0.0896 0.2897 ( 2612 PWs) bands (ev): -14.4256 -14.4256 -14.4256 -14.4256 -4.8564 -4.8564 -4.8554 -4.8554 -0.2065 -0.2065 -0.2033 -0.2033 1.6761 1.6761 1.7471 1.7471 1.8969 1.8969 1.9732 1.9732 9.5460 9.5460 9.5493 9.5493 9.7760 9.7760 9.8060 9.8060 9.9751 9.9751 10.0070 10.0070 15.5272 15.5272 15.5292 15.5292 17.3976 17.3976 17.4231 17.4231 k = 0.0460 0.0796 0.2897 ( 2612 PWs) bands (ev): -14.4318 -14.4318 -14.4318 -14.4318 -4.8544 -4.8544 -4.8537 -4.8537 -0.1904 -0.1904 -0.1882 -0.1882 1.7071 1.7071 1.7623 1.7623 1.9164 1.9164 1.9752 1.9752 9.5545 9.5545 9.5567 9.5567 9.7696 9.7696 9.7950 9.7950 9.9478 9.9478 9.9745 9.9745 15.5442 15.5442 15.5457 15.5457 17.4426 17.4426 17.4677 17.4677 k = 0.0402 0.0697 0.2897 ( 2608 PWs) bands (ev): -14.4373 -14.4373 -14.4373 -14.4373 -4.8527 -4.8527 -4.8522 -4.8522 -0.1760 -0.1760 -0.1746 -0.1746 1.7358 1.7358 1.7766 1.7766 1.9331 1.9331 1.9764 1.9764 9.5647 9.5647 9.5659 9.5659 9.7640 9.7640 9.7852 9.7852 9.9201 9.9201 9.9419 9.9419 15.5594 15.5594 15.5604 15.5604 17.4875 17.4875 17.5120 17.5120 k = 0.0345 0.0597 0.2897 ( 2604 PWs) bands (ev): -14.4421 -14.4421 -14.4421 -14.4421 -4.8512 -4.8512 -4.8509 -4.8509 -0.1634 -0.1634 -0.1626 -0.1626 1.7617 1.7617 1.7901 1.7901 1.9470 1.9470 1.9769 1.9769 9.5764 9.5764 9.5769 9.5769 9.7594 9.7594 9.7766 9.7766 9.8923 9.8923 9.9096 9.9096 15.5727 15.5727 15.5733 15.5733 17.5316 17.5316 17.5548 17.5548 k = 0.0287 0.0498 0.2897 ( 2608 PWs) bands (ev): -14.4462 -14.4462 -14.4462 -14.4462 -4.8500 -4.8500 -4.8499 -4.8499 -0.1527 -0.1527 -0.1522 -0.1522 1.7844 1.7844 1.8024 1.8024 1.9579 1.9579 1.9769 1.9769 9.5895 9.5895 9.5896 9.5896 9.7557 9.7557 9.7692 9.7692 9.8650 9.8650 9.8781 9.8781 15.5840 15.5840 15.5843 15.5843 17.5741 17.5741 17.5952 17.5952 k = 0.0230 0.0398 0.2897 ( 2602 PWs) bands (ev): -14.4496 -14.4496 -14.4496 -14.4496 -4.8491 -4.8491 -4.8490 -4.8490 -0.1438 -0.1438 -0.1436 -0.1436 1.8034 1.8034 1.8136 1.8136 1.9661 1.9661 1.9766 1.9766 9.6035 9.6035 9.6039 9.6039 9.7529 9.7529 9.7628 9.7628 9.8388 9.8388 9.8482 9.8482 15.5933 15.5933 15.5934 15.5934 17.6142 17.6142 17.6320 17.6320 k = 0.0172 0.0299 0.2897 ( 2594 PWs) bands (ev): -14.4522 -14.4522 -14.4522 -14.4522 -4.8484 -4.8484 -4.8483 -4.8483 -0.1369 -0.1369 -0.1368 -0.1368 1.8185 1.8185 1.8231 1.8231 1.9716 1.9716 1.9764 1.9764 9.6184 9.6184 9.6188 9.6188 9.7509 9.7509 9.7573 9.7573 9.8147 9.8147 9.8206 9.8206 15.6005 15.6005 15.6006 15.6006 17.6509 17.6509 17.6643 17.6643 k = 0.0115 0.0199 0.2897 ( 2594 PWs) bands (ev): -14.4541 -14.4541 -14.4541 -14.4541 -4.8479 -4.8479 -4.8479 -4.8479 -0.1320 -0.1320 -0.1319 -0.1319 1.8292 1.8292 1.8306 1.8306 1.9749 1.9749 1.9764 1.9764 9.6326 9.6326 9.6329 9.6329 9.7496 9.7496 9.7527 9.7527 9.7943 9.7943 9.7971 9.7971 15.6057 15.6057 15.6057 15.6057 17.6832 17.6832 17.6910 17.6910 k = 0.0057 0.0100 0.2897 ( 2590 PWs) bands (ev): -14.4552 -14.4552 -14.4552 -14.4552 -4.8476 -4.8476 -4.8476 -4.8476 -0.1290 -0.1290 -0.1290 -0.1290 1.8354 1.8354 1.8356 1.8356 1.9764 1.9764 1.9766 1.9766 9.6439 9.6439 9.6440 9.6440 9.7487 9.7487 9.7493 9.7493 9.7799 9.7799 9.7805 9.7805 15.6088 15.6088 15.6088 15.6088 17.7097 17.7097 17.7121 17.7121 k = 0.0000 0.0000 0.2897 ( 2594 PWs) bands (ev): -14.4556 -14.4556 -14.4556 -14.4556 -4.8475 -4.8475 -4.8475 -4.8475 -0.1280 -0.1280 -0.1280 -0.1280 1.8374 1.8374 1.8374 1.8374 1.9768 1.9768 1.9768 1.9768 9.6484 9.6484 9.6484 9.6484 9.7481 9.7481 9.7481 9.7481 9.7746 9.7746 9.7746 9.7746 15.6099 15.6099 15.6099 15.6099 17.7256 17.7256 17.7259 17.7341 k = 0.5000 0.2887 0.2897 ( 2584 PWs) bands (ev): -14.0371 -14.0371 -14.0371 -14.0371 -5.1097 -5.1097 -5.1097 -5.1097 -0.9015 -0.9015 -0.9015 -0.9015 0.7100 0.7100 0.7100 0.7100 1.2822 1.2822 1.2822 1.2822 9.6764 9.6764 9.6764 9.6764 9.9658 9.9658 9.9658 9.9658 10.0957 10.0957 10.0957 10.0957 15.2355 15.2355 15.2355 15.2355 17.2075 17.2075 17.2075 17.2075 k = 0.5000 0.2887 0.2786 ( 2582 PWs) bands (ev): -14.0405 -14.0405 -14.0338 -14.0338 -5.1318 -5.1318 -5.0871 -5.0871 -0.9375 -0.9375 -0.8659 -0.8659 0.6737 0.6737 0.7450 0.7450 1.2596 1.2596 1.3064 1.3064 9.6560 9.6560 9.6890 9.6890 9.9223 9.9223 10.0062 10.0062 10.0513 10.0513 10.1530 10.1530 15.1445 15.1445 15.3259 15.3259 17.1490 17.1490 17.2698 17.2698 k = 0.5000 0.2887 0.2674 ( 2582 PWs) bands (ev): -14.0438 -14.0438 -14.0304 -14.0304 -5.1532 -5.1532 -5.0640 -5.0640 -0.9738 -0.9738 -0.8308 -0.8308 0.6364 0.6364 0.7781 0.7781 1.2389 1.2389 1.3318 1.3318 9.6284 9.6284 9.6915 9.6915 9.8886 9.8886 9.9805 9.9805 10.0821 10.0821 10.2134 10.2134 15.0530 15.0530 15.4153 15.4153 17.0943 17.0943 17.3359 17.3359 k = 0.5000 0.2887 0.2563 ( 2576 PWs) bands (ev): -14.0471 -14.0471 -14.0271 -14.0271 -5.1740 -5.1740 -5.0405 -5.0405 -1.0102 -1.0102 -0.7962 -0.7962 0.5986 0.5986 0.8086 0.8086 1.2208 1.2208 1.3580 1.3580 9.5922 9.5922 9.6836 9.6836 9.8621 9.8621 9.9453 9.9453 10.1365 10.1365 10.2755 10.2755 14.9614 14.9614 15.5034 15.5034 17.0434 17.0434 17.4059 17.4059 k = 0.5000 0.2887 0.2452 ( 2580 PWs) bands (ev): -14.0504 -14.0504 -14.0239 -14.0239 -5.1941 -5.1941 -5.0167 -5.0167 -1.0468 -1.0468 -0.7623 -0.7623 0.5605 0.5605 0.8357 0.8357 1.2060 1.2060 1.3848 1.3848 9.5470 9.5470 9.6701 9.6701 9.8277 9.8277 9.9345 9.9345 10.1924 10.1924 10.3388 10.3388 14.8700 14.8700 15.5898 15.5898 16.9962 16.9962 17.4798 17.4798 k = 0.5000 0.2887 0.2340 ( 2582 PWs) bands (ev): -14.0537 -14.0537 -14.0206 -14.0206 -5.2134 -5.2134 -4.9926 -4.9926 -1.0833 -1.0833 -0.7292 -0.7292 0.5224 0.5224 0.8586 0.8586 1.1954 1.1954 1.4121 1.4121 9.4942 9.4942 9.6558 9.6558 9.7833 9.7833 9.9459 9.9459 10.2477 10.2477 10.4027 10.4027 14.7790 14.7790 15.6744 15.6744 16.9529 16.9529 17.5577 17.5577 k = 0.5000 0.2887 0.2229 ( 2578 PWs) bands (ev): -14.0569 -14.0569 -14.0175 -14.0175 -5.2320 -5.2320 -4.9683 -4.9683 -1.1197 -1.1197 -0.6968 -0.6968 0.4845 0.4845 0.8761 0.8761 1.1899 1.1899 1.4396 1.4396 9.4366 9.4366 9.6428 9.6428 9.7359 9.7359 9.9686 9.9686 10.3018 10.3018 10.4668 10.4668 14.6887 14.6887 15.7565 15.7565 16.9133 16.9133 17.6394 17.6394 k = 0.5000 0.2887 0.2117 ( 2578 PWs) bands (ev): -14.0600 -14.0600 -14.0144 -14.0144 -5.2498 -5.2498 -4.9440 -4.9440 -1.1558 -1.1558 -0.6653 -0.6653 0.4471 0.4471 0.8877 0.8877 1.1901 1.1901 1.4672 1.4672 9.3765 9.3765 9.6305 9.6305 9.6897 9.6897 9.9972 9.9972 10.3543 10.3543 10.5306 10.5306 14.5993 14.5993 15.8360 15.8360 16.8777 16.8777 17.7252 17.7252 k = 0.5000 0.2887 0.2006 ( 2578 PWs) bands (ev): -14.0630 -14.0630 -14.0114 -14.0114 -5.2667 -5.2667 -4.9197 -4.9197 -1.1915 -1.1915 -0.6348 -0.6348 0.4103 0.4103 0.8931 0.8931 1.1960 1.1960 1.4947 1.4947 9.3156 9.3156 9.6130 9.6130 9.6520 9.6520 10.0291 10.0291 10.4051 10.4051 10.5937 10.5937 14.5113 14.5113 15.9123 15.9123 16.8460 16.8460 17.8149 17.8149 k = 0.5000 0.2887 0.1894 ( 2578 PWs) bands (ev): -14.0659 -14.0659 -14.0085 -14.0085 -5.2828 -5.2828 -4.8956 -4.8956 -1.2266 -1.2266 -0.6052 -0.6052 0.3742 0.3742 0.8932 0.8932 1.2069 1.2069 1.5219 1.5219 9.2548 9.2548 9.5788 9.5788 9.6345 9.6345 10.0632 10.0632 10.4540 10.4540 10.6557 10.6557 14.4248 14.4248 15.9849 15.9849 16.8183 16.8183 17.9086 17.9086 k = 0.5000 0.2887 0.1783 ( 2582 PWs) bands (ev): -14.0688 -14.0688 -14.0057 -14.0057 -5.2980 -5.2980 -4.8717 -4.8717 -1.2610 -1.2610 -0.5768 -0.5768 0.3392 0.3392 0.8888 0.8888 1.2218 1.2218 1.5487 1.5487 9.1951 9.1951 9.5367 9.5367 9.6287 9.6287 10.0985 10.0985 10.5009 10.5009 10.7162 10.7162 14.3403 14.3403 16.0533 16.0533 16.7949 16.7949 18.0063 18.0063 k = 0.5000 0.2887 0.1672 ( 2582 PWs) bands (ev): -14.0715 -14.0715 -14.0030 -14.0030 -5.3123 -5.3123 -4.8482 -4.8482 -1.2946 -1.2946 -0.5494 -0.5494 0.3052 0.3052 0.8813 0.8813 1.2393 1.2393 1.5749 1.5749 9.1369 9.1369 9.4943 9.4943 9.6270 9.6270 10.1344 10.1344 10.5457 10.5457 10.7749 10.7749 14.2580 14.2580 16.1170 16.1170 16.7760 16.7760 18.1078 18.1078 k = 0.5000 0.2887 0.1560 ( 2586 PWs) bands (ev): -14.0741 -14.0741 -14.0005 -14.0005 -5.3258 -5.3258 -4.8253 -4.8253 -1.3271 -1.3271 -0.5232 -0.5232 0.2725 0.2725 0.8718 0.8718 1.2583 1.2583 1.6004 1.6004 9.0807 9.0807 9.4531 9.4531 9.6278 9.6278 10.1704 10.1704 10.5884 10.5884 10.8315 10.8315 14.1783 14.1783 16.1752 16.1752 16.7617 16.7617 18.2132 18.2132 k = 0.5000 0.2887 0.1449 ( 2586 PWs) bands (ev): -14.0766 -14.0766 -13.9981 -13.9981 -5.3383 -5.3383 -4.8030 -4.8030 -1.3585 -1.3585 -0.4982 -0.4982 0.2412 0.2412 0.8611 0.8611 1.2779 1.2779 1.6250 1.6250 9.0270 9.0270 9.4138 9.4138 9.6304 9.6304 10.2062 10.2062 10.6288 10.6288 10.8857 10.8857 14.1015 14.1015 16.2274 16.2274 16.7524 16.7524 18.3222 18.3222 k = 0.5000 0.2887 0.1337 ( 2594 PWs) bands (ev): -14.0789 -14.0789 -13.9958 -13.9958 -5.3499 -5.3499 -4.7816 -4.7816 -1.3884 -1.3884 -0.4745 -0.4745 0.2113 0.2113 0.8499 0.8499 1.2974 1.2974 1.6485 1.6485 8.9759 8.9759 9.3767 9.3767 9.6345 9.6345 10.2412 10.2412 10.6667 10.6667 10.9371 10.9371 14.0280 14.0280 16.2729 16.2729 16.7480 16.7480 18.4349 18.4349 k = 0.5000 0.2887 0.1226 ( 2586 PWs) bands (ev): -14.0810 -14.0810 -13.9937 -13.9937 -5.3606 -5.3606 -4.7611 -4.7611 -1.4169 -1.4169 -0.4521 -0.4521 0.1831 0.1831 0.8387 0.8387 1.3163 1.3163 1.6709 1.6709 8.9280 8.9280 9.3419 9.3419 9.6397 9.6397 10.2751 10.2751 10.7022 10.7022 10.9857 10.9857 13.9582 13.9582 16.3116 16.3116 16.7487 16.7487 18.5508 18.5508 k = 0.5000 0.2887 0.1114 ( 2586 PWs) bands (ev): -14.0830 -14.0830 -13.9917 -13.9917 -5.3704 -5.3704 -4.7418 -4.7418 -1.4436 -1.4436 -0.4311 -0.4311 0.1566 0.1566 0.8277 0.8277 1.3342 1.3342 1.6918 1.6918 8.8833 8.8833 9.3096 9.3096 9.6458 9.6458 10.3075 10.3075 10.7351 10.7351 11.0310 11.0310 13.8925 13.8925 16.3433 16.3433 16.7540 16.7540 18.6697 18.6697 k = 0.5000 0.2887 0.1003 ( 2578 PWs) bands (ev): -14.0849 -14.0849 -13.9899 -13.9899 -5.3792 -5.3792 -4.7237 -4.7237 -1.4684 -1.4684 -0.4116 -0.4116 0.1320 0.1320 0.8173 0.8173 1.3510 1.3510 1.7113 1.7113 8.8421 8.8421 9.2800 9.2800 9.6524 9.6524 10.3381 10.3381 10.7652 10.7652 11.0730 11.0730 13.8313 13.8313 16.3686 16.3686 16.7631 16.7631 18.7910 18.7910 k = 0.5000 0.2887 0.0891 ( 2578 PWs) bands (ev): -14.0865 -14.0865 -13.9883 -13.9883 -5.3871 -5.3871 -4.7071 -4.7071 -1.4912 -1.4912 -0.3936 -0.3936 0.1093 0.1093 0.8077 0.8077 1.3664 1.3664 1.7292 1.7292 8.8047 8.8047 9.2532 9.2532 9.6594 9.6594 10.3665 10.3665 10.7925 10.7925 11.1112 11.1112 13.7750 13.7750 16.3881 16.3881 16.7748 16.7748 18.9136 18.9136 k = 0.5000 0.2887 0.0780 ( 2580 PWs) bands (ev): -14.0880 -14.0880 -13.9868 -13.9868 -5.3941 -5.3941 -4.6920 -4.6920 -1.5117 -1.5117 -0.3771 -0.3771 0.0886 0.0886 0.7989 0.7989 1.3802 1.3802 1.7453 1.7453 8.7712 8.7712 9.2293 9.2293 9.6662 9.6662 10.3923 10.3923 10.8169 10.8169 11.1457 11.1457 13.7241 13.7241 16.4030 16.4030 16.7880 16.7880 19.0332 19.0332 k = 0.5000 0.2887 0.0669 ( 2580 PWs) bands (ev): -14.0893 -14.0893 -13.9856 -13.9856 -5.4001 -5.4001 -4.6786 -4.6786 -1.5299 -1.5299 -0.3624 -0.3624 0.0702 0.0702 0.7911 0.7911 1.3924 1.3924 1.7595 1.7595 8.7418 8.7418 9.2084 9.2084 9.6729 9.6729 10.4154 10.4154 10.8383 10.8383 11.1760 11.1760 13.6789 13.6789 16.4142 16.4142 16.8014 16.8014 19.0841 19.0841 k = 0.5000 0.2887 0.0557 ( 2592 PWs) bands (ev): -14.0904 -14.0904 -13.9845 -13.9845 -5.4053 -5.4053 -4.6670 -4.6670 -1.5455 -1.5455 -0.3496 -0.3496 0.0542 0.0542 0.7843 0.7843 1.4028 1.4028 1.7717 1.7717 8.7167 8.7167 9.1905 9.1905 9.6789 9.6789 10.4354 10.4354 10.8565 10.8565 11.2021 11.2021 13.6399 13.6399 16.4226 16.4226 16.8140 16.8140 19.0441 19.0441 k = 0.5000 0.2887 0.0446 ( 2592 PWs) bands (ev): -14.0913 -14.0913 -13.9836 -13.9836 -5.4094 -5.4094 -4.6574 -4.6574 -1.5585 -1.5585 -0.3387 -0.3387 0.0407 0.0407 0.7788 0.7788 1.4114 1.4114 1.7818 1.7818 8.6960 8.6960 9.1758 9.1758 9.6842 9.6842 10.4521 10.4521 10.8715 10.8715 11.2237 11.2237 13.6074 13.6074 16.4288 16.4288 16.8250 16.8250 19.0056 19.0056 k = 0.5000 0.2887 0.0334 ( 2592 PWs) bands (ev): -14.0921 -14.0921 -13.9829 -13.9829 -5.4127 -5.4127 -4.6498 -4.6498 -1.5687 -1.5687 -0.3300 -0.3300 0.0299 0.0299 0.7744 0.7744 1.4181 1.4181 1.7898 1.7898 8.6798 8.6798 9.1643 9.1643 9.6886 9.6886 10.4652 10.4652 10.8833 10.8833 11.2408 11.2408 13.5818 13.5818 16.4333 16.4333 16.8339 16.8339 18.9750 18.9750 k = 0.5000 0.2887 0.0223 ( 2580 PWs) bands (ev): -14.0926 -14.0926 -13.9824 -13.9824 -5.4150 -5.4150 -4.6443 -4.6443 -1.5761 -1.5761 -0.3236 -0.3236 0.0221 0.0221 0.7712 0.7712 1.4229 1.4229 1.7955 1.7955 8.6681 8.6681 9.1561 9.1561 9.6918 9.6918 10.4748 10.4748 10.8918 10.8918 11.2530 11.2530 13.5633 13.5633 16.4363 16.4363 16.8404 16.8404 18.9530 18.9530 k = 0.5000 0.2887 0.0111 ( 2588 PWs) bands (ev): -14.0929 -14.0929 -13.9821 -13.9821 -5.4164 -5.4164 -4.6410 -4.6410 -1.5805 -1.5805 -0.3197 -0.3197 0.0173 0.0173 0.7693 0.7693 1.4258 1.4258 1.7990 1.7990 8.6611 8.6611 9.1511 9.1511 9.6938 9.6938 10.4806 10.4806 10.8969 10.8969 11.2604 11.2604 13.5521 13.5521 16.4381 16.4381 16.8443 16.8443 18.9397 18.9397 k = 0.5000 0.2887-0.0000 ( 2588 PWs) bands (ev): -14.0930 -14.0930 -13.9820 -13.9820 -5.4169 -5.4169 -4.6399 -4.6399 -1.5820 -1.5820 -0.3184 -0.3184 0.0157 0.0157 0.7687 0.7687 1.4268 1.4268 1.8002 1.8002 8.6587 8.6587 9.1495 9.1495 9.6945 9.6945 10.4825 10.4825 10.8986 10.8986 11.2629 11.2629 13.5483 13.5483 16.4387 16.4387 16.8457 16.8457 18.9353 18.9353 k = 0.3333 0.5774-0.0000 ( 2598 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.5015 -5.5015 -4.5183 -4.5183 -1.3936 -1.3936 -0.9111 -0.9111 0.1862 0.1862 0.6577 0.6577 0.7384 0.7384 1.7403 1.7403 9.8852 9.8852 9.8886 9.8886 10.1170 10.1170 10.2745 10.2745 10.3089 10.3089 10.3617 10.3617 15.5453 15.5453 15.6882 15.6882 17.9188 17.9188 18.5352 18.5352 k = 0.3333 0.5774 0.0111 ( 2598 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.5008 -5.5008 -4.5195 -4.5195 -1.3942 -1.3942 -0.9105 -0.9105 0.1839 0.1839 0.6614 0.6614 0.7395 0.7395 1.7394 1.7394 9.8719 9.8719 9.8778 9.8778 10.1170 10.1170 10.2871 10.2871 10.3000 10.3000 10.3798 10.3798 15.5469 15.5469 15.6898 15.6898 17.9218 17.9218 18.5266 18.5266 k = 0.3333 0.5774 0.0223 ( 2589 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.4988 -5.4988 -4.5232 -4.5232 -1.3961 -1.3961 -0.9086 -0.9085 0.1774 0.1774 0.6721 0.6721 0.7430 0.7430 1.7368 1.7368 9.8363 9.8363 9.8478 9.8478 10.1168 10.1168 10.2868 10.2868 10.3206 10.3206 10.4184 10.4184 15.5517 15.5517 15.6947 15.6947 17.9307 17.9307 18.5015 18.5016 k = 0.3333 0.5774 0.0334 ( 2583 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.4954 -5.4954 -4.5292 -4.5292 -1.3992 -1.3992 -0.9054 -0.9054 0.1674 0.1674 0.6890 0.6890 0.7486 0.7486 1.7324 1.7324 9.7864 9.7864 9.8034 9.8034 10.1158 10.1158 10.2765 10.2765 10.3670 10.3670 10.4661 10.4661 15.5596 15.5596 15.7029 15.7029 17.9455 17.9455 18.4618 18.4618 k = 0.3333 0.5774 0.0446 ( 2583 PWs) bands (ev): -13.9829 -13.9829 -13.9828 -13.9828 -5.4906 -5.4906 -4.5375 -4.5375 -1.4034 -1.4034 -0.9012 -0.9012 0.1549 0.1549 0.7112 0.7112 0.7564 0.7564 1.7264 1.7264 9.7283 9.7283 9.7495 9.7495 10.1138 10.1138 10.2686 10.2686 10.4202 10.4202 10.5189 10.5189 15.5707 15.5707 15.7143 15.7143 17.9662 17.9662 18.4098 18.4098 k = 0.3333 0.5774 0.0557 ( 2577 PWs) bands (ev): -13.9828 -13.9828 -13.9828 -13.9828 -5.4845 -5.4845 -4.5482 -4.5482 -1.4086 -1.4086 -0.8960 -0.8960 0.1410 0.1410 0.7376 0.7376 0.7662 0.7662 1.7187 1.7187 9.6659 9.6659 9.6895 9.6895 10.1109 10.1109 10.2621 10.2621 10.4766 10.4766 10.5742 10.5742 15.5849 15.5849 15.7288 15.7288 17.9925 17.9925 18.3480 18.3480 k = 0.3333 0.5774 0.0669 ( 2577 PWs) bands (ev): -13.9828 -13.9828 -13.9828 -13.9828 -5.4770 -5.4770 -4.5610 -4.5610 -1.4148 -1.4148 -0.8901 -0.8901 0.1266 0.1266 0.7671 0.7671 0.7779 0.7779 1.7094 1.7094 9.6011 9.6011 9.6260 9.6260 10.1072 10.1072 10.2564 10.2564 10.5340 10.5340 10.6306 10.6306 15.6022 15.6022 15.7464 15.7464 18.0243 18.0243 18.2789 18.2789 k = 0.3333 0.5774 0.0780 ( 2577 PWs) bands (ev): -13.9828 -13.9828 -13.9827 -13.9827 -5.4682 -5.4682 -4.5758 -4.5758 -1.4219 -1.4219 -0.8836 -0.8836 0.1126 0.1126 0.7912 0.7912 0.7989 0.7989 1.6987 1.6987 9.5355 9.5355 9.5606 9.5606 10.1027 10.1027 10.2510 10.2510 10.5912 10.5912 10.6868 10.6868 15.6224 15.6224 15.7671 15.7671 18.0607 18.0607 18.2043 18.2043 k = 0.3333 0.5774 0.0891 ( 2565 PWs) bands (ev): -13.9827 -13.9827 -13.9827 -13.9827 -5.4581 -5.4581 -4.5926 -4.5926 -1.4296 -1.4296 -0.8768 -0.8768 0.0997 0.0997 0.8060 0.8060 0.8323 0.8323 1.6867 1.6867 9.4699 9.4699 9.4944 9.4944 10.0976 10.0976 10.2457 10.2457 10.6474 10.6474 10.7422 10.7422 15.6455 15.6455 15.7907 15.7907 18.0949 18.0949 18.1259 18.1259 k = 0.3333 0.5774 0.1003 ( 2571 PWs) bands (ev): -13.9827 -13.9827 -13.9827 -13.9827 -5.4468 -5.4468 -4.6112 -4.6112 -1.4380 -1.4380 -0.8700 -0.8700 0.0883 0.0883 0.8220 0.8220 0.8665 0.8665 1.6734 1.6734 9.4049 9.4049 9.4282 9.4282 10.0921 10.0921 10.2403 10.2403 10.7021 10.7021 10.7961 10.7961 15.6713 15.6713 15.8171 15.8171 18.0450 18.0450 18.0662 18.0662 k = 0.3333 0.5774 0.1114 ( 2568 PWs) bands (ev): -13.9827 -13.9827 -13.9826 -13.9826 -5.4341 -5.4341 -4.6316 -4.6316 -1.4468 -1.4468 -0.8634 -0.8634 0.0788 0.0788 0.8390 0.8390 0.9011 0.9011 1.6591 1.6591 9.3412 9.3412 9.3629 9.3629 10.0862 10.0862 10.2348 10.2348 10.7548 10.7548 10.8481 10.8481 15.6999 15.6999 15.8463 15.8463 17.9626 17.9626 17.9899 17.9899 k = 0.3333 0.5774 0.1226 ( 2574 PWs) bands (ev): -13.9826 -13.9826 -13.9826 -13.9826 -5.4202 -5.4202 -4.6534 -4.6534 -1.4559 -1.4559 -0.8571 -0.8571 0.0716 0.0716 0.8566 0.8566 0.9355 0.9355 1.6440 1.6440 9.2791 9.2791 9.2989 9.2989 10.0801 10.0801 10.2293 10.2293 10.8053 10.8053 10.8979 10.8979 15.7309 15.7309 15.8781 15.8781 17.8795 17.8795 17.9088 17.9088 k = 0.3333 0.5774 0.1337 ( 2574 PWs) bands (ev): -13.9826 -13.9826 -13.9826 -13.9826 -5.4051 -5.4051 -4.6766 -4.6766 -1.4651 -1.4651 -0.8514 -0.8514 0.0668 0.0668 0.8748 0.8748 0.9694 0.9694 1.6281 1.6281 9.2191 9.2191 9.2367 9.2367 10.0738 10.0738 10.2236 10.2236 10.8533 10.8533 10.9453 10.9453 15.7644 15.7644 15.9123 15.9123 17.7964 17.7964 17.8268 17.8268 k = 0.3333 0.5774 0.1449 ( 2583 PWs) bands (ev): -13.9825 -13.9825 -13.9825 -13.9825 -5.3889 -5.3889 -4.7011 -4.7011 -1.4744 -1.4744 -0.8465 -0.8465 0.0643 0.0643 0.8932 0.8932 1.0022 1.0022 1.6119 1.6119 9.1616 9.1616 9.1769 9.1769 10.0675 10.0675 10.2180 10.2180 10.8986 10.8986 10.9900 10.9900 15.8000 15.8000 15.9489 15.9489 17.7139 17.7139 17.7450 17.7450 k = 0.3333 0.5774 0.1560 ( 2583 PWs) bands (ev): -13.9825 -13.9825 -13.9825 -13.9825 -5.3714 -5.3714 -4.7266 -4.7266 -1.4836 -1.4836 -0.8423 -0.8423 0.0643 0.0643 0.9115 0.9115 1.0336 1.0336 1.5954 1.5954 9.1069 9.1069 9.1197 9.1197 10.0612 10.0612 10.2124 10.2124 10.9410 10.9410 11.0319 11.0319 15.8376 15.8376 15.9876 15.9876 17.6324 17.6324 17.6640 17.6640 k = 0.3333 0.5774 0.1672 ( 2583 PWs) bands (ev): -13.9825 -13.9825 -13.9824 -13.9824 -5.3529 -5.3529 -4.7530 -4.7530 -1.4925 -1.4925 -0.8390 -0.8390 0.0664 0.0664 0.9294 0.9294 1.0633 1.0633 1.5791 1.5791 9.0552 9.0552 9.0656 9.0656 10.0551 10.0551 10.2069 10.2069 10.9805 10.9805 11.0708 11.0708 15.8770 15.8770 16.0282 16.0282 17.5523 17.5523 17.5843 17.5843 k = 0.3333 0.5774 0.1783 ( 2586 PWs) bands (ev): -13.9824 -13.9824 -13.9824 -13.9824 -5.3334 -5.3334 -4.7802 -4.7802 -1.5010 -1.5010 -0.8365 -0.8365 0.0704 0.0704 0.9468 0.9468 1.0910 1.0910 1.5633 1.5633 9.0070 9.0070 9.0150 9.0150 10.0492 10.0492 10.2015 10.2015 11.0168 11.0168 11.1066 11.1066 15.9179 15.9179 16.0705 16.0705 17.4741 17.4741 17.5061 17.5061 k = 0.3333 0.5774 0.1894 ( 2586 PWs) bands (ev): -13.9824 -13.9824 -13.9824 -13.9824 -5.3129 -5.3129 -4.8080 -4.8080 -1.5091 -1.5091 -0.8347 -0.8347 0.0760 0.0760 0.9633 0.9633 1.1162 1.1162 1.5482 1.5482 8.9625 8.9625 8.9681 8.9681 10.0436 10.0436 10.1964 10.1964 11.0499 11.0499 11.1392 11.1392 15.9599 15.9599 16.1142 16.1142 17.3983 17.3983 17.4300 17.4300 k = 0.3333 0.5774 0.2006 ( 2583 PWs) bands (ev): -13.9823 -13.9823 -13.9823 -13.9823 -5.2915 -5.2915 -4.8361 -4.8361 -1.5166 -1.5166 -0.8336 -0.8336 0.0828 0.0828 0.9788 0.9788 1.1387 1.1387 1.5342 1.5342 8.9219 8.9219 8.9252 8.9252 10.0385 10.0385 10.1916 10.1916 11.0798 11.0798 11.1686 11.1686 16.0025 16.0025 16.1590 16.1590 17.3254 17.3254 17.3562 17.3562 k = 0.3333 0.5774 0.2117 ( 2583 PWs) bands (ev): -13.9823 -13.9823 -13.9823 -13.9823 -5.2692 -5.2692 -4.8645 -4.8645 -1.5234 -1.5234 -0.8331 -0.8331 0.0903 0.0903 0.9931 0.9931 1.1584 1.1584 1.5215 1.5215 8.8856 8.8856 8.8868 8.8868 10.0337 10.0337 10.1872 10.1872 11.1062 11.1062 11.1947 11.1947 16.0452 16.0452 16.2043 16.2043 17.2559 17.2559 17.2853 17.2853 k = 0.3333 0.5774 0.2229 ( 2583 PWs) bands (ev): -13.9823 -13.9823 -13.9823 -13.9823 -5.2464 -5.2464 -4.8929 -4.8929 -1.5295 -1.5295 -0.8330 -0.8330 0.0981 0.0981 1.0058 1.0058 1.1750 1.1750 1.5106 1.5106 8.8529 8.8529 8.8536 8.8536 10.0295 10.0295 10.1833 10.1833 11.1293 11.1293 11.2174 11.2174 16.0873 16.0873 16.2496 16.2496 17.1906 17.1906 17.2179 17.2179 k = 0.3333 0.5774 0.2340 ( 2583 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.2230 -5.2230 -4.9210 -4.9210 -1.5347 -1.5347 -0.8332 -0.8332 0.1057 0.1057 1.0169 1.0169 1.1886 1.1886 1.5014 1.5014 8.8238 8.8238 8.8262 8.8262 10.0259 10.0259 10.1798 10.1798 11.1489 11.1489 11.2366 11.2366 16.1277 16.1277 16.2940 16.2940 17.1306 17.1306 17.1549 17.1549 k = 0.3333 0.5774 0.2452 ( 2577 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1995 -5.1995 -4.9484 -4.9484 -1.5391 -1.5391 -0.8335 -0.8335 0.1126 0.1126 1.0262 1.0262 1.1992 1.1992 1.4942 1.4942 8.7997 8.7997 8.8035 8.8035 10.0229 10.0229 10.1769 10.1769 11.1649 11.1649 11.2524 11.2524 16.1651 16.1651 16.3361 16.3361 17.0772 17.0772 17.0975 17.0975 k = 0.3333 0.5774 0.2563 ( 2577 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1765 -5.1765 -4.9746 -4.9746 -1.5426 -1.5426 -0.8339 -0.8339 0.1185 0.1185 1.0336 1.0336 1.2070 1.2070 1.4888 1.4888 8.7808 8.7808 8.7858 8.7858 10.0204 10.0204 10.1746 10.1746 11.1775 11.1775 11.2647 11.2647 16.1977 16.1977 16.3740 16.3740 17.0321 17.0321 17.0478 17.0478 k = 0.3333 0.5774 0.2674 ( 2577 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1552 -5.1552 -4.9981 -4.9981 -1.5451 -1.5451 -0.8342 -0.8342 0.1230 0.1230 1.0389 1.0389 1.2123 1.2123 1.4851 1.4851 8.7672 8.7672 8.7730 8.7730 10.0187 10.0187 10.1729 10.1729 11.1864 11.1864 11.2735 11.2735 16.2235 16.2235 16.4051 16.4051 16.9975 16.9975 17.0083 17.0083 k = 0.3333 0.5774 0.2786 ( 2577 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1385 -5.1385 -5.0162 -5.0162 -1.5466 -1.5466 -0.8344 -0.8344 0.1257 0.1257 1.0422 1.0422 1.2153 1.2153 1.4830 1.4830 8.7590 8.7590 8.7653 8.7653 10.0177 10.0177 10.1719 10.1719 11.1918 11.1918 11.2788 11.2788 16.2402 16.2402 16.4258 16.4258 16.9754 16.9754 16.9825 16.9825 k = 0.3333 0.5774 0.2897 ( 2574 PWs) bands (ev): -13.9822 -13.9822 -13.9822 -13.9822 -5.1317 -5.1317 -5.0235 -5.0235 -1.5471 -1.5471 -0.8345 -0.8345 0.1267 0.1267 1.0432 1.0432 1.2163 1.2163 1.4823 1.4823 8.7563 8.7563 8.7627 8.7627 10.0173 10.0173 10.1716 10.1716 11.1936 11.1936 11.2806 11.2806 16.2460 16.2460 16.4332 16.4332 16.9679 16.9679 16.9734 16.9734 Writing output data file BaO.save init_run : 0.17s CPU 0.29s WALL ( 1 calls) electrons : 97.69s CPU 99.79s 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 : 97.68s CPU 99.78s 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 : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 363 calls) cegterg : 91.69s CPU 93.33s WALL ( 476 calls) Called by sum_band: Called by *egterg: h_psi : 45.63s CPU 46.83s WALL ( 8120 calls) s_psi : 2.38s CPU 2.31s WALL ( 8120 calls) g_psi : 0.14s CPU 0.13s WALL ( 7281 calls) cdiaghg : 39.52s CPU 40.24s WALL ( 7644 calls) cegterg:over : 3.20s CPU 3.22s WALL ( 7281 calls) cegterg:upda : 2.18s CPU 2.33s WALL ( 7281 calls) cegterg:last : 1.49s CPU 1.48s WALL ( 1419 calls) cdiaghg:chol : 2.05s CPU 2.10s WALL ( 7644 calls) cdiaghg:inve : 1.16s CPU 1.25s WALL ( 7644 calls) cdiaghg:para : 2.52s CPU 2.31s WALL ( 15288 calls) Called by h_psi: h_psi:vloc : 40.10s CPU 41.18s WALL ( 8120 calls) h_psi:vnl : 5.42s CPU 5.56s WALL ( 8120 calls) add_vuspsi : 2.80s CPU 2.88s WALL ( 8120 calls) General routines calbec : 2.61s CPU 2.66s WALL ( 8120 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.90s CPU 38.90s WALL ( 685928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.15s WALL ( 726 calls) Parallel routines fft_scatter : 15.39s CPU 15.98s WALL ( 685951 calls) PWSCF : 1m48.86s CPU 2m 0.03s WALL This run was terminated on: 14: 2:17 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=