Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:16:32 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: ./NiAs.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 14 4 642 374 64 Max 21 15 5 651 397 69 Sum 745 517 163 23279 13911 2405 bravais-lattice index = 14 lattice parameter (alat) = 6.7463 a.u. unit-cell volume = 379.8689 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.746322 celldm(2)= 1.000000 celldm(3)= 1.428571 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 1.428571 ) 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 0.700000 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 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 ) ( -0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( -0.7142857 ) 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 ) ( -0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( -0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( 0.7142857 ) 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 ) ( -0.7142857 ) 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 ) ( -0.7142857 ) 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= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0026178 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0026178 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0026178 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0026178 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0026178 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0026178 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0026178 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0026178 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0026178 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0026178 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0026178 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0026178 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0026178 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0026178 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026178 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0026178 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0026178 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0026178 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0026178 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0026178 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0026178 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0026178 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0026178 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0026178 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0026178 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0026178 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0026178 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0026178 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0026178 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0026178 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0026178 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026178 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026178 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0026178 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0026178 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0026178 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0026178 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026178 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026178 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0026178 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0026178 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0026178 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026178 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0026178 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026178 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0026178 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0026178 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026178 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0026178 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0026178 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026178 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0026178 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026178 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0026178 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0026178 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0026178 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026178 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026178 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0026178 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0026178 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0026178 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0026178 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026178 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026178 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0026178 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0026178 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0026178 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0026178 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0026178 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0026178 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0026178 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0026178 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0026178 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0026178 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0026178 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0026178 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0026178 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0026178 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0026178 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0026178 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0026178 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0026178 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0026178 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0026178 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0026178 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0026178 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0026178 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0026178 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0026178 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0026178 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0026178 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0026178 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0026178 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0026178 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0026178 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0026178 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0026178 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0026178 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0026178 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0026178 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0026178 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0026178 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0026178 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0026178 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0026178 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0026178 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0026178 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0026178 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0026178 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0026178 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0026178 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0026178 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0026178 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0026178 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0026178 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0026178 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0026178 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0026178 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0026178 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0026178 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0026178 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0026178 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 145) = ( 0.0000000 0.0000000 0.0112903), wk = 0.0026178 k( 146) = ( 0.0000000 0.0000000 0.0225806), wk = 0.0026178 k( 147) = ( 0.0000000 0.0000000 0.0338710), wk = 0.0026178 k( 148) = ( 0.0000000 0.0000000 0.0451613), wk = 0.0026178 k( 149) = ( 0.0000000 0.0000000 0.0564516), wk = 0.0026178 k( 150) = ( 0.0000000 0.0000000 0.0677419), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.0790323), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.0903226), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.1016129), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.1241935), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.1354839), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.1467742), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.1580645), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.1693548), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.1806452), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.1919355), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.2032258), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.2145161), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.2370968), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.2483871), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.2596774), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.2709677), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.2822581), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.2935484), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.3048387), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.3161290), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.3274194), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026178 k( 177) = ( 0.0098039 0.0056603 0.3500000), wk = 0.0026178 k( 178) = ( 0.0196078 0.0113206 0.3500000), wk = 0.0026178 k( 179) = ( 0.0294118 0.0169809 0.3500000), wk = 0.0026178 k( 180) = ( 0.0392157 0.0226412 0.3500000), wk = 0.0026178 k( 181) = ( 0.0490196 0.0283015 0.3500000), wk = 0.0026178 k( 182) = ( 0.0588235 0.0339618 0.3500000), wk = 0.0026178 k( 183) = ( 0.0686275 0.0396221 0.3500000), wk = 0.0026178 k( 184) = ( 0.0784314 0.0452824 0.3500000), wk = 0.0026178 k( 185) = ( 0.0882353 0.0509427 0.3500000), wk = 0.0026178 k( 186) = ( 0.0980392 0.0566030 0.3500000), wk = 0.0026178 k( 187) = ( 0.1078431 0.0622633 0.3500000), wk = 0.0026178 k( 188) = ( 0.1176471 0.0679236 0.3500000), wk = 0.0026178 k( 189) = ( 0.1274510 0.0735839 0.3500000), wk = 0.0026178 k( 190) = ( 0.1372549 0.0792442 0.3500000), wk = 0.0026178 k( 191) = ( 0.1470588 0.0849044 0.3500000), wk = 0.0026178 k( 192) = ( 0.1568627 0.0905648 0.3500000), wk = 0.0026178 k( 193) = ( 0.1666667 0.0962250 0.3500000), wk = 0.0026178 k( 194) = ( 0.1764706 0.1018853 0.3500000), wk = 0.0026178 k( 195) = ( 0.1862745 0.1075456 0.3500000), wk = 0.0026178 k( 196) = ( 0.1960784 0.1132059 0.3500000), wk = 0.0026178 k( 197) = ( 0.2058823 0.1188662 0.3500000), wk = 0.0026178 k( 198) = ( 0.2156863 0.1245265 0.3500000), wk = 0.0026178 k( 199) = ( 0.2254902 0.1301868 0.3500000), wk = 0.0026178 k( 200) = ( 0.2352941 0.1358471 0.3500000), wk = 0.0026178 k( 201) = ( 0.2450980 0.1415074 0.3500000), wk = 0.0026178 k( 202) = ( 0.2549020 0.1471677 0.3500000), wk = 0.0026178 k( 203) = ( 0.2647059 0.1528280 0.3500000), wk = 0.0026178 k( 204) = ( 0.2745098 0.1584883 0.3500000), wk = 0.0026178 k( 205) = ( 0.2843137 0.1641486 0.3500000), wk = 0.0026178 k( 206) = ( 0.2941177 0.1698089 0.3500000), wk = 0.0026178 k( 207) = ( 0.3039216 0.1754692 0.3500000), wk = 0.0026178 k( 208) = ( 0.3137255 0.1811295 0.3500000), wk = 0.0026178 k( 209) = ( 0.3235294 0.1867898 0.3500000), wk = 0.0026178 k( 210) = ( 0.3333333 0.1924501 0.3500000), wk = 0.0026178 k( 211) = ( 0.3431373 0.1981104 0.3500000), wk = 0.0026178 k( 212) = ( 0.3529412 0.2037707 0.3500000), wk = 0.0026178 k( 213) = ( 0.3627451 0.2094310 0.3500000), wk = 0.0026178 k( 214) = ( 0.3725490 0.2150913 0.3500000), wk = 0.0026178 k( 215) = ( 0.3823529 0.2207516 0.3500000), wk = 0.0026178 k( 216) = ( 0.3921569 0.2264119 0.3500000), wk = 0.0026178 k( 217) = ( 0.4019608 0.2320722 0.3500000), wk = 0.0026178 k( 218) = ( 0.4117647 0.2377325 0.3500000), wk = 0.0026178 k( 219) = ( 0.4215686 0.2433928 0.3500000), wk = 0.0026178 k( 220) = ( 0.4313726 0.2490531 0.3500000), wk = 0.0026178 k( 221) = ( 0.4411765 0.2547134 0.3500000), wk = 0.0026178 k( 222) = ( 0.4509804 0.2603736 0.3500000), wk = 0.0026178 k( 223) = ( 0.4607843 0.2660339 0.3500000), wk = 0.0026178 k( 224) = ( 0.4705882 0.2716942 0.3500000), wk = 0.0026178 k( 225) = ( 0.4803922 0.2773545 0.3500000), wk = 0.0026178 k( 226) = ( 0.4901961 0.2830148 0.3500000), wk = 0.0026178 k( 227) = ( 0.5000000 0.2886751 0.3500000), wk = 0.0026178 k( 228) = ( 0.5000000 0.2886751 0.3500000), wk = 0.0026178 k( 229) = ( 0.4944444 0.2982976 0.3500000), wk = 0.0026178 k( 230) = ( 0.4888889 0.3079201 0.3500000), wk = 0.0026178 k( 231) = ( 0.4833333 0.3175426 0.3500000), wk = 0.0026178 k( 232) = ( 0.4777778 0.3271651 0.3500000), wk = 0.0026178 k( 233) = ( 0.4722222 0.3367877 0.3500000), wk = 0.0026178 k( 234) = ( 0.4666667 0.3464102 0.3500000), wk = 0.0026178 k( 235) = ( 0.4611111 0.3560327 0.3500000), wk = 0.0026178 k( 236) = ( 0.4555556 0.3656552 0.3500000), wk = 0.0026178 k( 237) = ( 0.4500000 0.3752777 0.3500000), wk = 0.0026178 k( 238) = ( 0.4444444 0.3849002 0.3500000), wk = 0.0026178 k( 239) = ( 0.4388889 0.3945227 0.3500000), wk = 0.0026178 k( 240) = ( 0.4333333 0.4041452 0.3500000), wk = 0.0026178 k( 241) = ( 0.4277778 0.4137677 0.3500000), wk = 0.0026178 k( 242) = ( 0.4222222 0.4233902 0.3500000), wk = 0.0026178 k( 243) = ( 0.4166667 0.4330127 0.3500000), wk = 0.0026178 k( 244) = ( 0.4111111 0.4426352 0.3500000), wk = 0.0026178 k( 245) = ( 0.4055556 0.4522577 0.3500000), wk = 0.0026178 k( 246) = ( 0.4000000 0.4618802 0.3500000), wk = 0.0026178 k( 247) = ( 0.3944444 0.4715027 0.3500000), wk = 0.0026178 k( 248) = ( 0.3888889 0.4811252 0.3500000), wk = 0.0026178 k( 249) = ( 0.3833333 0.4907477 0.3500000), wk = 0.0026178 k( 250) = ( 0.3777778 0.5003702 0.3500000), wk = 0.0026178 k( 251) = ( 0.3722222 0.5099927 0.3500000), wk = 0.0026178 k( 252) = ( 0.3666667 0.5196152 0.3500000), wk = 0.0026178 k( 253) = ( 0.3611111 0.5292377 0.3500000), wk = 0.0026178 k( 254) = ( 0.3555556 0.5388603 0.3500000), wk = 0.0026178 k( 255) = ( 0.3500000 0.5484828 0.3500000), wk = 0.0026178 k( 256) = ( 0.3444444 0.5581053 0.3500000), wk = 0.0026178 k( 257) = ( 0.3388889 0.5677278 0.3500000), wk = 0.0026178 k( 258) = ( 0.3333333 0.5773503 0.3500000), wk = 0.0026178 k( 259) = ( 0.3333333 0.5773503 0.3500000), wk = 0.0026178 k( 260) = ( 0.3276836 0.5675647 0.3500000), wk = 0.0026178 k( 261) = ( 0.3220339 0.5577791 0.3500000), wk = 0.0026178 k( 262) = ( 0.3163842 0.5479935 0.3500000), wk = 0.0026178 k( 263) = ( 0.3107345 0.5382079 0.3500000), wk = 0.0026178 k( 264) = ( 0.3050848 0.5284223 0.3500000), wk = 0.0026178 k( 265) = ( 0.2994350 0.5186367 0.3500000), wk = 0.0026178 k( 266) = ( 0.2937853 0.5088511 0.3500000), wk = 0.0026178 k( 267) = ( 0.2881356 0.4990655 0.3500000), wk = 0.0026178 k( 268) = ( 0.2824859 0.4892799 0.3500000), wk = 0.0026178 k( 269) = ( 0.2768362 0.4794943 0.3500000), wk = 0.0026178 k( 270) = ( 0.2711864 0.4697087 0.3500000), wk = 0.0026178 k( 271) = ( 0.2655367 0.4599231 0.3500000), wk = 0.0026178 k( 272) = ( 0.2598870 0.4501375 0.3500000), wk = 0.0026178 k( 273) = ( 0.2542373 0.4403519 0.3500000), wk = 0.0026178 k( 274) = ( 0.2485876 0.4305663 0.3500000), wk = 0.0026178 k( 275) = ( 0.2429379 0.4207807 0.3500000), wk = 0.0026178 k( 276) = ( 0.2372881 0.4109951 0.3500000), wk = 0.0026178 k( 277) = ( 0.2316384 0.4012095 0.3500000), wk = 0.0026178 k( 278) = ( 0.2259887 0.3914239 0.3500000), wk = 0.0026178 k( 279) = ( 0.2203390 0.3816383 0.3500000), wk = 0.0026178 k( 280) = ( 0.2146893 0.3718527 0.3500000), wk = 0.0026178 k( 281) = ( 0.2090395 0.3620671 0.3500000), wk = 0.0026178 k( 282) = ( 0.2033898 0.3522815 0.3500000), wk = 0.0026178 k( 283) = ( 0.1977401 0.3424959 0.3500000), wk = 0.0026178 k( 284) = ( 0.1920904 0.3327103 0.3500000), wk = 0.0026178 k( 285) = ( 0.1864407 0.3229247 0.3500000), wk = 0.0026178 k( 286) = ( 0.1807910 0.3131391 0.3500000), wk = 0.0026178 k( 287) = ( 0.1751412 0.3033535 0.3500000), wk = 0.0026178 k( 288) = ( 0.1694915 0.2935679 0.3500000), wk = 0.0026178 k( 289) = ( 0.1638418 0.2837823 0.3500000), wk = 0.0026178 k( 290) = ( 0.1581921 0.2739967 0.3500000), wk = 0.0026178 k( 291) = ( 0.1525424 0.2642111 0.3500000), wk = 0.0026178 k( 292) = ( 0.1468927 0.2544256 0.3500000), wk = 0.0026178 k( 293) = ( 0.1412429 0.2446399 0.3500000), wk = 0.0026178 k( 294) = ( 0.1355932 0.2348543 0.3500000), wk = 0.0026178 k( 295) = ( 0.1299435 0.2250687 0.3500000), wk = 0.0026178 k( 296) = ( 0.1242938 0.2152832 0.3500000), wk = 0.0026178 k( 297) = ( 0.1186441 0.2054976 0.3500000), wk = 0.0026178 k( 298) = ( 0.1129943 0.1957120 0.3500000), wk = 0.0026178 k( 299) = ( 0.1073446 0.1859264 0.3500000), wk = 0.0026178 k( 300) = ( 0.1016949 0.1761408 0.3500000), wk = 0.0026178 k( 301) = ( 0.0960452 0.1663552 0.3500000), wk = 0.0026178 k( 302) = ( 0.0903955 0.1565696 0.3500000), wk = 0.0026178 k( 303) = ( 0.0847458 0.1467840 0.3500000), wk = 0.0026178 k( 304) = ( 0.0790961 0.1369984 0.3500000), wk = 0.0026178 k( 305) = ( 0.0734463 0.1272128 0.3500000), wk = 0.0026178 k( 306) = ( 0.0677966 0.1174272 0.3500000), wk = 0.0026178 k( 307) = ( 0.0621469 0.1076416 0.3500000), wk = 0.0026178 k( 308) = ( 0.0564972 0.0978560 0.3500000), wk = 0.0026178 k( 309) = ( 0.0508475 0.0880704 0.3500000), wk = 0.0026178 k( 310) = ( 0.0451977 0.0782848 0.3500000), wk = 0.0026178 k( 311) = ( 0.0395480 0.0684992 0.3500000), wk = 0.0026178 k( 312) = ( 0.0338983 0.0587136 0.3500000), wk = 0.0026178 k( 313) = ( 0.0282486 0.0489280 0.3500000), wk = 0.0026178 k( 314) = ( 0.0225989 0.0391424 0.3500000), wk = 0.0026178 k( 315) = ( 0.0169491 0.0293568 0.3500000), wk = 0.0026178 k( 316) = ( 0.0112994 0.0195712 0.3500000), wk = 0.0026178 k( 317) = ( 0.0056497 0.0097856 0.3500000), wk = 0.0026178 k( 318) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026178 k( 319) = ( 0.5000000 0.2886751 0.3500000), wk = 0.0026178 k( 320) = ( 0.5000000 0.2886751 0.3387097), wk = 0.0026178 k( 321) = ( 0.5000000 0.2886751 0.3274194), wk = 0.0026178 k( 322) = ( 0.5000000 0.2886751 0.3161290), wk = 0.0026178 k( 323) = ( 0.5000000 0.2886751 0.3048387), wk = 0.0026178 k( 324) = ( 0.5000000 0.2886751 0.2935484), wk = 0.0026178 k( 325) = ( 0.5000000 0.2886751 0.2822581), wk = 0.0026178 k( 326) = ( 0.5000000 0.2886751 0.2709677), wk = 0.0026178 k( 327) = ( 0.5000000 0.2886751 0.2596774), wk = 0.0026178 k( 328) = ( 0.5000000 0.2886751 0.2483871), wk = 0.0026178 k( 329) = ( 0.5000000 0.2886751 0.2370968), wk = 0.0026178 k( 330) = ( 0.5000000 0.2886751 0.2258065), wk = 0.0026178 k( 331) = ( 0.5000000 0.2886751 0.2145161), wk = 0.0026178 k( 332) = ( 0.5000000 0.2886751 0.2032258), wk = 0.0026178 k( 333) = ( 0.5000000 0.2886751 0.1919355), wk = 0.0026178 k( 334) = ( 0.5000000 0.2886751 0.1806452), wk = 0.0026178 k( 335) = ( 0.5000000 0.2886751 0.1693548), wk = 0.0026178 k( 336) = ( 0.5000000 0.2886751 0.1580645), wk = 0.0026178 k( 337) = ( 0.5000000 0.2886751 0.1467742), wk = 0.0026178 k( 338) = ( 0.5000000 0.2886751 0.1354839), wk = 0.0026178 k( 339) = ( 0.5000000 0.2886751 0.1241935), wk = 0.0026178 k( 340) = ( 0.5000000 0.2886751 0.1129032), wk = 0.0026178 k( 341) = ( 0.5000000 0.2886751 0.1016129), wk = 0.0026178 k( 342) = ( 0.5000000 0.2886751 0.0903226), wk = 0.0026178 k( 343) = ( 0.5000000 0.2886751 0.0790323), wk = 0.0026178 k( 344) = ( 0.5000000 0.2886751 0.0677419), wk = 0.0026178 k( 345) = ( 0.5000000 0.2886751 0.0564516), wk = 0.0026178 k( 346) = ( 0.5000000 0.2886751 0.0451613), wk = 0.0026178 k( 347) = ( 0.5000000 0.2886751 0.0338710), wk = 0.0026178 k( 348) = ( 0.5000000 0.2886751 0.0225806), wk = 0.0026178 k( 349) = ( 0.5000000 0.2886751 0.0112903), wk = 0.0026178 k( 350) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026178 k( 351) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026178 k( 352) = ( 0.3333333 0.5773503 0.0112903), wk = 0.0026178 k( 353) = ( 0.3333333 0.5773503 0.0225806), wk = 0.0026178 k( 354) = ( 0.3333333 0.5773503 0.0338710), wk = 0.0026178 k( 355) = ( 0.3333333 0.5773503 0.0451613), wk = 0.0026178 k( 356) = ( 0.3333333 0.5773503 0.0564516), wk = 0.0026178 k( 357) = ( 0.3333333 0.5773503 0.0677419), wk = 0.0026178 k( 358) = ( 0.3333333 0.5773503 0.0790323), wk = 0.0026178 k( 359) = ( 0.3333333 0.5773503 0.0903226), wk = 0.0026178 k( 360) = ( 0.3333333 0.5773503 0.1016129), wk = 0.0026178 k( 361) = ( 0.3333333 0.5773503 0.1129032), wk = 0.0026178 k( 362) = ( 0.3333333 0.5773503 0.1241935), wk = 0.0026178 k( 363) = ( 0.3333333 0.5773503 0.1354839), wk = 0.0026178 k( 364) = ( 0.3333333 0.5773503 0.1467742), wk = 0.0026178 k( 365) = ( 0.3333333 0.5773503 0.1580645), wk = 0.0026178 k( 366) = ( 0.3333333 0.5773503 0.1693548), wk = 0.0026178 k( 367) = ( 0.3333333 0.5773503 0.1806452), wk = 0.0026178 k( 368) = ( 0.3333333 0.5773503 0.1919355), wk = 0.0026178 k( 369) = ( 0.3333333 0.5773503 0.2032258), wk = 0.0026178 k( 370) = ( 0.3333333 0.5773503 0.2145161), wk = 0.0026178 k( 371) = ( 0.3333333 0.5773503 0.2258065), wk = 0.0026178 k( 372) = ( 0.3333333 0.5773503 0.2370968), wk = 0.0026178 k( 373) = ( 0.3333333 0.5773503 0.2483871), wk = 0.0026178 k( 374) = ( 0.3333333 0.5773503 0.2596774), wk = 0.0026178 k( 375) = ( 0.3333333 0.5773503 0.2709677), wk = 0.0026178 k( 376) = ( 0.3333333 0.5773503 0.2822581), wk = 0.0026178 k( 377) = ( 0.3333333 0.5773503 0.2935484), wk = 0.0026178 k( 378) = ( 0.3333333 0.5773503 0.3048387), wk = 0.0026178 k( 379) = ( 0.3333333 0.5773503 0.3161290), wk = 0.0026178 k( 380) = ( 0.3333333 0.5773503 0.3274194), wk = 0.0026178 k( 381) = ( 0.3333333 0.5773503 0.3387097), wk = 0.0026178 k( 382) = ( 0.3333333 0.5773503 0.3500000), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0098039 0.0000000 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0196078 0.0000000 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0392157 0.0000000 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0490196 0.0000000 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0784314 0.0000000 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0026178 k( 11) = ( 0.0980392 0.0000000 -0.0000000), wk = 0.0026178 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0026178 k( 13) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0026178 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1764706 0.0000000 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1862745 0.0000000 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0026178 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0026178 k( 23) = ( 0.2156863 0.0000000 -0.0000000), wk = 0.0026178 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0026178 k( 25) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0026178 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0026178 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0026178 k( 28) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2843137 -0.0000000 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0026178 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0026178 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0026178 k( 34) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0026178 k( 35) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0026178 k( 36) = ( 0.3431373 0.0000000 -0.0000000), wk = 0.0026178 k( 37) = ( 0.3529412 0.0000000 -0.0000000), wk = 0.0026178 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0026178 k( 39) = ( 0.3725490 0.0000000 -0.0000000), wk = 0.0026178 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0026178 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0026178 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0026178 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0026178 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0026178 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0026178 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0026178 k( 48) = ( 0.4607843 0.0000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.4803922 0.0000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.4944444 0.0111111 -0.0000000), wk = 0.0026178 k( 55) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0026178 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0026178 k( 57) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0026178 k( 58) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0026178 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0026178 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0026178 k( 61) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0026178 k( 62) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0026178 k( 64) = ( 0.4388889 0.1222222 -0.0000000), wk = 0.0026178 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0026178 k( 66) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0026178 k( 67) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0026178 k( 68) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026178 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0026178 k( 70) = ( 0.4055556 0.1888889 -0.0000000), wk = 0.0026178 k( 71) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026178 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0026178 k( 73) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0026178 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0026178 k( 75) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0026178 k( 76) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0026178 k( 77) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0026178 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0026178 k( 79) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0026178 k( 80) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0026178 k( 81) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0026178 k( 82) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0026178 k( 83) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 85) = ( 0.3276836 0.3276836 0.0000000), wk = 0.0026178 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0026178 k( 87) = ( 0.3163842 0.3163842 0.0000000), wk = 0.0026178 k( 88) = ( 0.3107345 0.3107345 -0.0000000), wk = 0.0026178 k( 89) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0026178 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0026178 k( 91) = ( 0.2937853 0.2937853 -0.0000000), wk = 0.0026178 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0026178 k( 93) = ( 0.2824859 0.2824859 -0.0000000), wk = 0.0026178 k( 94) = ( 0.2768362 0.2768362 0.0000000), wk = 0.0026178 k( 95) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0026178 k( 96) = ( 0.2655367 0.2655367 0.0000000), wk = 0.0026178 k( 97) = ( 0.2598870 0.2598870 0.0000000), wk = 0.0026178 k( 98) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0026178 k( 99) = ( 0.2485876 0.2485876 -0.0000000), wk = 0.0026178 k( 100) = ( 0.2429379 0.2429379 0.0000000), wk = 0.0026178 k( 101) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0026178 k( 102) = ( 0.2316384 0.2316384 0.0000000), wk = 0.0026178 k( 103) = ( 0.2259887 0.2259887 -0.0000000), wk = 0.0026178 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0026178 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0026178 k( 106) = ( 0.2090395 0.2090396 -0.0000000), wk = 0.0026178 k( 107) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0026178 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0026178 k( 109) = ( 0.1920904 0.1920904 0.0000000), wk = 0.0026178 k( 110) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0026178 k( 111) = ( 0.1807910 0.1807910 0.0000000), wk = 0.0026178 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0026178 k( 113) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0026178 k( 114) = ( 0.1638418 0.1638418 0.0000000), wk = 0.0026178 k( 115) = ( 0.1581921 0.1581921 0.0000000), wk = 0.0026178 k( 116) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0026178 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0026178 k( 118) = ( 0.1412429 0.1412429 -0.0000000), wk = 0.0026178 k( 119) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0026178 k( 120) = ( 0.1299435 0.1299435 0.0000000), wk = 0.0026178 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0026178 k( 122) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0026178 k( 123) = ( 0.1129943 0.1129944 -0.0000000), wk = 0.0026178 k( 124) = ( 0.1073446 0.1073446 0.0000000), wk = 0.0026178 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0026178 k( 126) = ( 0.0960452 0.0960452 0.0000000), wk = 0.0026178 k( 127) = ( 0.0903955 0.0903955 0.0000000), wk = 0.0026178 k( 128) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0026178 k( 129) = ( 0.0790961 0.0790961 0.0000000), wk = 0.0026178 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0026178 k( 131) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0026178 k( 132) = ( 0.0621469 0.0621469 0.0000000), wk = 0.0026178 k( 133) = ( 0.0564972 0.0564972 0.0000000), wk = 0.0026178 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0026178 k( 135) = ( 0.0451977 0.0451977 0.0000000), wk = 0.0026178 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0026178 k( 137) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0026178 k( 138) = ( 0.0282486 0.0282486 0.0000000), wk = 0.0026178 k( 139) = ( 0.0225989 0.0225989 0.0000000), wk = 0.0026178 k( 140) = ( 0.0169491 0.0169492 0.0000000), wk = 0.0026178 k( 141) = ( 0.0112994 0.0112994 -0.0000000), wk = 0.0026178 k( 142) = ( 0.0056497 0.0056497 -0.0000000), wk = 0.0026178 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 145) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0026178 k( 146) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0026178 k( 147) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0026178 k( 148) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0026178 k( 149) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0026178 k( 150) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 177) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0026178 k( 178) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0026178 k( 179) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0026178 k( 180) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0026178 k( 181) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0026178 k( 182) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0026178 k( 183) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0026178 k( 184) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0026178 k( 185) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0026178 k( 186) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0026178 k( 187) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0026178 k( 188) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0026178 k( 189) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0026178 k( 190) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0026178 k( 191) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0026178 k( 192) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0026178 k( 193) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0026178 k( 194) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0026178 k( 195) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0026178 k( 196) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0026178 k( 197) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0026178 k( 198) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0026178 k( 199) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0026178 k( 200) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0026178 k( 201) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0026178 k( 202) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0026178 k( 203) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0026178 k( 204) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0026178 k( 205) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0026178 k( 206) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0026178 k( 207) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0026178 k( 208) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0026178 k( 209) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0026178 k( 210) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0026178 k( 211) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0026178 k( 212) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0026178 k( 213) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0026178 k( 214) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0026178 k( 215) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0026178 k( 216) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0026178 k( 217) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0026178 k( 218) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0026178 k( 219) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0026178 k( 220) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0026178 k( 221) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0026178 k( 222) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0026178 k( 223) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0026178 k( 224) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0026178 k( 225) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0026178 k( 226) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0026178 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026178 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026178 k( 229) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0026178 k( 230) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0026178 k( 231) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0026178 k( 232) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0026178 k( 233) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026178 k( 234) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026178 k( 235) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0026178 k( 236) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0026178 k( 237) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0026178 k( 238) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026178 k( 239) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0026178 k( 240) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026178 k( 241) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0026178 k( 242) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0026178 k( 243) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026178 k( 244) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0026178 k( 245) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0026178 k( 246) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026178 k( 247) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0026178 k( 248) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026178 k( 249) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0026178 k( 250) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0026178 k( 251) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0026178 k( 252) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026178 k( 253) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026178 k( 254) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0026178 k( 255) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0026178 k( 256) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0026178 k( 257) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0026178 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026178 k( 259) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026178 k( 260) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0026178 k( 261) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0026178 k( 262) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0026178 k( 263) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0026178 k( 264) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0026178 k( 265) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0026178 k( 266) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0026178 k( 267) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0026178 k( 268) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0026178 k( 269) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0026178 k( 270) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0026178 k( 271) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0026178 k( 272) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0026178 k( 273) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0026178 k( 274) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0026178 k( 275) = ( 0.2429379 0.2429379 0.5000000), wk = 0.0026178 k( 276) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0026178 k( 277) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0026178 k( 278) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0026178 k( 279) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0026178 k( 280) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0026178 k( 281) = ( 0.2090395 0.2090396 0.5000000), wk = 0.0026178 k( 282) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0026178 k( 283) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0026178 k( 284) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0026178 k( 285) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0026178 k( 286) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0026178 k( 287) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0026178 k( 288) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0026178 k( 289) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0026178 k( 290) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0026178 k( 291) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0026178 k( 292) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0026178 k( 293) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0026178 k( 294) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0026178 k( 295) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0026178 k( 296) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0026178 k( 297) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0026178 k( 298) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0026178 k( 299) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0026178 k( 300) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0026178 k( 301) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0026178 k( 302) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0026178 k( 303) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0026178 k( 304) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0026178 k( 305) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0026178 k( 306) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0026178 k( 307) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0026178 k( 308) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0026178 k( 309) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0026178 k( 310) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0026178 k( 311) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0026178 k( 312) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0026178 k( 313) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0026178 k( 314) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0026178 k( 315) = ( 0.0169491 0.0169492 0.5000000), wk = 0.0026178 k( 316) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0026178 k( 317) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0026178 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026178 k( 320) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0026178 k( 321) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0026178 k( 322) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0026178 k( 323) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0026178 k( 324) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0026178 k( 325) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0026178 k( 326) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0026178 k( 327) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0026178 k( 328) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0026178 k( 329) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0026178 k( 330) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0026178 k( 331) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0026178 k( 332) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0026178 k( 333) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0026178 k( 334) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0026178 k( 335) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0026178 k( 336) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0026178 k( 337) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0026178 k( 338) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0026178 k( 339) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0026178 k( 340) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0026178 k( 341) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0026178 k( 342) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0026178 k( 343) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0026178 k( 344) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0026178 k( 345) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0026178 k( 346) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0026178 k( 347) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0026178 k( 348) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0026178 k( 349) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0026178 k( 350) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026178 k( 351) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 352) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0026178 k( 353) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0026178 k( 354) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0026178 k( 355) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0026178 k( 356) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0026178 k( 357) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0026178 k( 358) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0026178 k( 359) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0026178 k( 360) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0026178 k( 361) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0026178 k( 362) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0026178 k( 363) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0026178 k( 364) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0026178 k( 365) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0026178 k( 366) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0026178 k( 367) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0026178 k( 368) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0026178 k( 369) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0026178 k( 370) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0026178 k( 371) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0026178 k( 372) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0026178 k( 373) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0026178 k( 374) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0026178 k( 375) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0026178 k( 376) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0026178 k( 377) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0026178 k( 378) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0026178 k( 379) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0026178 k( 380) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0026178 k( 381) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0026178 k( 382) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026178 Dense grid: 23279 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 13911 G-vectors FFT dimensions: ( 27, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 104, 38) NL pseudopotentials 0.08 Mb ( 52, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 644) G-vector shells 0.00 Mb ( 310) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 104, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./NiAs.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.7 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.8 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.6 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.2 secs Computing kpt #: 22 total cpu time spent up to now is 5.4 secs Computing kpt #: 23 total cpu time spent up to now is 5.6 secs Computing kpt #: 24 total cpu time spent up to now is 5.8 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.5 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.1 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.5 secs Computing kpt #: 34 total cpu time spent up to now is 7.7 secs Computing kpt #: 35 total cpu time spent up to now is 7.9 secs Computing kpt #: 36 total cpu time spent up to now is 8.1 secs Computing kpt #: 37 total cpu time spent up to now is 8.3 secs Computing kpt #: 38 total cpu time spent up to now is 8.5 secs Computing kpt #: 39 total cpu time spent up to now is 8.7 secs Computing kpt #: 40 total cpu time spent up to now is 8.9 secs Computing kpt #: 41 total cpu time spent up to now is 9.1 secs Computing kpt #: 42 total cpu time spent up to now is 9.3 secs Computing kpt #: 43 total cpu time spent up to now is 9.5 secs Computing kpt #: 44 total cpu time spent up to now is 9.7 secs Computing kpt #: 45 total cpu time spent up to now is 9.9 secs Computing kpt #: 46 total cpu time spent up to now is 10.1 secs Computing kpt #: 47 total cpu time spent up to now is 10.3 secs Computing kpt #: 48 total cpu time spent up to now is 10.6 secs Computing kpt #: 49 total cpu time spent up to now is 10.8 secs Computing kpt #: 50 total cpu time spent up to now is 11.0 secs Computing kpt #: 51 total cpu time spent up to now is 11.2 secs Computing kpt #: 52 total cpu time spent up to now is 11.5 secs Computing kpt #: 53 total cpu time spent up to now is 11.7 secs Computing kpt #: 54 total cpu time spent up to now is 12.0 secs Computing kpt #: 55 total cpu time spent up to now is 12.2 secs Computing kpt #: 56 total cpu time spent up to now is 12.4 secs Computing kpt #: 57 total cpu time spent up to now is 12.6 secs Computing kpt #: 58 total cpu time spent up to now is 12.8 secs Computing kpt #: 59 total cpu time spent up to now is 13.0 secs Computing kpt #: 60 total cpu time spent up to now is 13.3 secs Computing kpt #: 61 total cpu time spent up to now is 13.5 secs Computing kpt #: 62 total cpu time spent up to now is 13.6 secs Computing kpt #: 63 total cpu time spent up to now is 13.8 secs Computing kpt #: 64 total cpu time spent up to now is 14.0 secs Computing kpt #: 65 total cpu time spent up to now is 14.2 secs Computing kpt #: 66 total cpu time spent up to now is 14.4 secs Computing kpt #: 67 total cpu time spent up to now is 14.5 secs Computing kpt #: 68 total cpu time spent up to now is 14.7 secs Computing kpt #: 69 total cpu time spent up to now is 14.9 secs Computing kpt #: 70 total cpu time spent up to now is 15.0 secs Computing kpt #: 71 total cpu time spent up to now is 15.2 secs Computing kpt #: 72 total cpu time spent up to now is 15.3 secs Computing kpt #: 73 total cpu time spent up to now is 15.5 secs Computing kpt #: 74 total cpu time spent up to now is 15.7 secs Computing kpt #: 75 total cpu time spent up to now is 15.8 secs Computing kpt #: 76 total cpu time spent up to now is 16.0 secs Computing kpt #: 77 total cpu time spent up to now is 16.1 secs Computing kpt #: 78 total cpu time spent up to now is 16.3 secs Computing kpt #: 79 total cpu time spent up to now is 16.4 secs Computing kpt #: 80 total cpu time spent up to now is 16.6 secs Computing kpt #: 81 total cpu time spent up to now is 16.7 secs Computing kpt #: 82 total cpu time spent up to now is 16.9 secs Computing kpt #: 83 total cpu time spent up to now is 17.0 secs Computing kpt #: 84 total cpu time spent up to now is 17.2 secs Computing kpt #: 85 total cpu time spent up to now is 17.3 secs Computing kpt #: 86 total cpu time spent up to now is 17.5 secs Computing kpt #: 87 total cpu time spent up to now is 17.6 secs Computing kpt #: 88 total cpu time spent up to now is 17.8 secs Computing kpt #: 89 total cpu time spent up to now is 17.9 secs Computing kpt #: 90 total cpu time spent up to now is 18.1 secs Computing kpt #: 91 total cpu time spent up to now is 18.2 secs Computing kpt #: 92 total cpu time spent up to now is 18.4 secs Computing kpt #: 93 total cpu time spent up to now is 18.5 secs Computing kpt #: 94 total cpu time spent up to now is 18.7 secs Computing kpt #: 95 total cpu time spent up to now is 18.8 secs Computing kpt #: 96 total cpu time spent up to now is 19.0 secs Computing kpt #: 97 total cpu time spent up to now is 19.1 secs Computing kpt #: 98 total cpu time spent up to now is 19.3 secs Computing kpt #: 99 total cpu time spent up to now is 19.5 secs Computing kpt #: 100 total cpu time spent up to now is 19.6 secs Computing kpt #: 101 total cpu time spent up to now is 19.8 secs Computing kpt #: 102 total cpu time spent up to now is 19.9 secs Computing kpt #: 103 total cpu time spent up to now is 20.1 secs Computing kpt #: 104 total cpu time spent up to now is 20.3 secs Computing kpt #: 105 total cpu time spent up to now is 20.4 secs Computing kpt #: 106 total cpu time spent up to now is 20.6 secs Computing kpt #: 107 total cpu time spent up to now is 20.8 secs Computing kpt #: 108 total cpu time spent up to now is 20.9 secs Computing kpt #: 109 total cpu time spent up to now is 21.1 secs Computing kpt #: 110 total cpu time spent up to now is 21.3 secs Computing kpt #: 111 total cpu time spent up to now is 21.5 secs Computing kpt #: 112 total cpu time spent up to now is 21.6 secs Computing kpt #: 113 total cpu time spent up to now is 21.8 secs Computing kpt #: 114 total cpu time spent up to now is 22.0 secs Computing kpt #: 115 total cpu time spent up to now is 22.2 secs Computing kpt #: 116 total cpu time spent up to now is 22.4 secs Computing kpt #: 117 total cpu time spent up to now is 22.6 secs Computing kpt #: 118 total cpu time spent up to now is 22.9 secs Computing kpt #: 119 total cpu time spent up to now is 23.1 secs Computing kpt #: 120 total cpu time spent up to now is 23.4 secs Computing kpt #: 121 total cpu time spent up to now is 23.6 secs Computing kpt #: 122 total cpu time spent up to now is 23.9 secs Computing kpt #: 123 total cpu time spent up to now is 24.1 secs Computing kpt #: 124 total cpu time spent up to now is 24.3 secs Computing kpt #: 125 total cpu time spent up to now is 24.5 secs Computing kpt #: 126 total cpu time spent up to now is 24.7 secs Computing kpt #: 127 total cpu time spent up to now is 24.9 secs Computing kpt #: 128 total cpu time spent up to now is 25.1 secs Computing kpt #: 129 total cpu time spent up to now is 25.3 secs Computing kpt #: 130 total cpu time spent up to now is 25.4 secs Computing kpt #: 131 total cpu time spent up to now is 25.6 secs Computing kpt #: 132 total cpu time spent up to now is 25.8 secs Computing kpt #: 133 total cpu time spent up to now is 26.0 secs Computing kpt #: 134 total cpu time spent up to now is 26.1 secs Computing kpt #: 135 total cpu time spent up to now is 26.3 secs Computing kpt #: 136 total cpu time spent up to now is 26.5 secs Computing kpt #: 137 total cpu time spent up to now is 26.6 secs Computing kpt #: 138 total cpu time spent up to now is 26.8 secs Computing kpt #: 139 total cpu time spent up to now is 27.0 secs Computing kpt #: 140 total cpu time spent up to now is 27.2 secs Computing kpt #: 141 total cpu time spent up to now is 27.3 secs Computing kpt #: 142 total cpu time spent up to now is 27.5 secs Computing kpt #: 143 total cpu time spent up to now is 27.7 secs Computing kpt #: 144 total cpu time spent up to now is 27.8 secs Computing kpt #: 145 total cpu time spent up to now is 28.0 secs Computing kpt #: 146 total cpu time spent up to now is 28.2 secs Computing kpt #: 147 total cpu time spent up to now is 28.3 secs Computing kpt #: 148 total cpu time spent up to now is 28.5 secs Computing kpt #: 149 total cpu time spent up to now is 28.7 secs Computing kpt #: 150 total cpu time spent up to now is 28.8 secs Computing kpt #: 151 total cpu time spent up to now is 29.0 secs Computing kpt #: 152 total cpu time spent up to now is 29.2 secs Computing kpt #: 153 total cpu time spent up to now is 29.4 secs Computing kpt #: 154 total cpu time spent up to now is 29.5 secs Computing kpt #: 155 total cpu time spent up to now is 29.7 secs Computing kpt #: 156 total cpu time spent up to now is 29.9 secs Computing kpt #: 157 total cpu time spent up to now is 30.0 secs Computing kpt #: 158 total cpu time spent up to now is 30.2 secs Computing kpt #: 159 total cpu time spent up to now is 30.4 secs Computing kpt #: 160 total cpu time spent up to now is 30.6 secs Computing kpt #: 161 total cpu time spent up to now is 30.8 secs Computing kpt #: 162 total cpu time spent up to now is 30.9 secs Computing kpt #: 163 total cpu time spent up to now is 31.1 secs Computing kpt #: 164 total cpu time spent up to now is 31.3 secs Computing kpt #: 165 total cpu time spent up to now is 31.5 secs Computing kpt #: 166 total cpu time spent up to now is 31.7 secs Computing kpt #: 167 total cpu time spent up to now is 31.8 secs Computing kpt #: 168 total cpu time spent up to now is 32.0 secs Computing kpt #: 169 total cpu time spent up to now is 32.2 secs Computing kpt #: 170 total cpu time spent up to now is 32.4 secs Computing kpt #: 171 total cpu time spent up to now is 32.6 secs Computing kpt #: 172 total cpu time spent up to now is 32.8 secs Computing kpt #: 173 total cpu time spent up to now is 33.0 secs Computing kpt #: 174 total cpu time spent up to now is 33.3 secs Computing kpt #: 175 total cpu time spent up to now is 33.5 secs Computing kpt #: 176 total cpu time spent up to now is 33.7 secs Computing kpt #: 177 total cpu time spent up to now is 33.9 secs Computing kpt #: 178 total cpu time spent up to now is 34.1 secs Computing kpt #: 179 total cpu time spent up to now is 34.3 secs Computing kpt #: 180 total cpu time spent up to now is 34.5 secs Computing kpt #: 181 total cpu time spent up to now is 34.7 secs Computing kpt #: 182 total cpu time spent up to now is 34.9 secs Computing kpt #: 183 total cpu time spent up to now is 35.2 secs Computing kpt #: 184 total cpu time spent up to now is 35.4 secs Computing kpt #: 185 total cpu time spent up to now is 35.6 secs Computing kpt #: 186 total cpu time spent up to now is 35.8 secs Computing kpt #: 187 total cpu time spent up to now is 36.0 secs Computing kpt #: 188 total cpu time spent up to now is 36.3 secs Computing kpt #: 189 total cpu time spent up to now is 36.5 secs Computing kpt #: 190 total cpu time spent up to now is 36.7 secs Computing kpt #: 191 total cpu time spent up to now is 36.9 secs Computing kpt #: 192 total cpu time spent up to now is 37.0 secs Computing kpt #: 193 total cpu time spent up to now is 37.2 secs Computing kpt #: 194 total cpu time spent up to now is 37.4 secs Computing kpt #: 195 total cpu time spent up to now is 37.6 secs Computing kpt #: 196 total cpu time spent up to now is 37.8 secs Computing kpt #: 197 total cpu time spent up to now is 38.0 secs Computing kpt #: 198 total cpu time spent up to now is 38.1 secs Computing kpt #: 199 total cpu time spent up to now is 38.3 secs Computing kpt #: 200 total cpu time spent up to now is 38.5 secs Computing kpt #: 201 total cpu time spent up to now is 38.7 secs Computing kpt #: 202 total cpu time spent up to now is 38.8 secs Computing kpt #: 203 total cpu time spent up to now is 39.0 secs Computing kpt #: 204 total cpu time spent up to now is 39.2 secs Computing kpt #: 205 total cpu time spent up to now is 39.4 secs Computing kpt #: 206 total cpu time spent up to now is 39.5 secs Computing kpt #: 207 total cpu time spent up to now is 39.7 secs Computing kpt #: 208 total cpu time spent up to now is 39.9 secs Computing kpt #: 209 total cpu time spent up to now is 40.1 secs Computing kpt #: 210 total cpu time spent up to now is 40.2 secs Computing kpt #: 211 total cpu time spent up to now is 40.4 secs Computing kpt #: 212 total cpu time spent up to now is 40.6 secs Computing kpt #: 213 total cpu time spent up to now is 40.7 secs Computing kpt #: 214 total cpu time spent up to now is 40.9 secs Computing kpt #: 215 total cpu time spent up to now is 41.1 secs Computing kpt #: 216 total cpu time spent up to now is 41.3 secs Computing kpt #: 217 total cpu time spent up to now is 41.4 secs Computing kpt #: 218 total cpu time spent up to now is 41.6 secs Computing kpt #: 219 total cpu time spent up to now is 41.8 secs Computing kpt #: 220 total cpu time spent up to now is 42.0 secs Computing kpt #: 221 total cpu time spent up to now is 42.2 secs Computing kpt #: 222 total cpu time spent up to now is 42.3 secs Computing kpt #: 223 total cpu time spent up to now is 42.5 secs Computing kpt #: 224 total cpu time spent up to now is 42.7 secs Computing kpt #: 225 total cpu time spent up to now is 42.8 secs Computing kpt #: 226 total cpu time spent up to now is 43.0 secs Computing kpt #: 227 total cpu time spent up to now is 43.2 secs Computing kpt #: 228 total cpu time spent up to now is 43.4 secs Computing kpt #: 229 total cpu time spent up to now is 43.6 secs Computing kpt #: 230 total cpu time spent up to now is 43.8 secs Computing kpt #: 231 total cpu time spent up to now is 44.1 secs Computing kpt #: 232 total cpu time spent up to now is 44.3 secs Computing kpt #: 233 total cpu time spent up to now is 44.5 secs Computing kpt #: 234 total cpu time spent up to now is 44.7 secs Computing kpt #: 235 total cpu time spent up to now is 45.0 secs Computing kpt #: 236 total cpu time spent up to now is 45.2 secs Computing kpt #: 237 total cpu time spent up to now is 45.5 secs Computing kpt #: 238 total cpu time spent up to now is 45.7 secs Computing kpt #: 239 total cpu time spent up to now is 46.0 secs Computing kpt #: 240 total cpu time spent up to now is 46.2 secs Computing kpt #: 241 total cpu time spent up to now is 46.5 secs Computing kpt #: 242 total cpu time spent up to now is 46.7 secs Computing kpt #: 243 total cpu time spent up to now is 46.9 secs Computing kpt #: 244 total cpu time spent up to now is 47.2 secs Computing kpt #: 245 total cpu time spent up to now is 47.5 secs Computing kpt #: 246 total cpu time spent up to now is 47.7 secs Computing kpt #: 247 total cpu time spent up to now is 48.1 secs Computing kpt #: 248 total cpu time spent up to now is 48.3 secs Computing kpt #: 249 total cpu time spent up to now is 48.7 secs Computing kpt #: 250 total cpu time spent up to now is 49.0 secs Computing kpt #: 251 total cpu time spent up to now is 49.2 secs Computing kpt #: 252 total cpu time spent up to now is 49.6 secs Computing kpt #: 253 total cpu time spent up to now is 50.0 secs Computing kpt #: 254 total cpu time spent up to now is 50.2 secs Computing kpt #: 255 total cpu time spent up to now is 50.6 secs Computing kpt #: 256 total cpu time spent up to now is 50.9 secs Computing kpt #: 257 total cpu time spent up to now is 51.2 secs Computing kpt #: 258 total cpu time spent up to now is 51.5 secs Computing kpt #: 259 total cpu time spent up to now is 51.8 secs Computing kpt #: 260 total cpu time spent up to now is 52.1 secs Computing kpt #: 261 total cpu time spent up to now is 52.4 secs Computing kpt #: 262 total cpu time spent up to now is 52.8 secs Computing kpt #: 263 total cpu time spent up to now is 53.1 secs Computing kpt #: 264 total cpu time spent up to now is 53.4 secs Computing kpt #: 265 total cpu time spent up to now is 53.7 secs Computing kpt #: 266 total cpu time spent up to now is 54.0 secs Computing kpt #: 267 total cpu time spent up to now is 54.3 secs Computing kpt #: 268 total cpu time spent up to now is 54.6 secs Computing kpt #: 269 total cpu time spent up to now is 54.8 secs Computing kpt #: 270 total cpu time spent up to now is 55.1 secs Computing kpt #: 271 total cpu time spent up to now is 55.4 secs Computing kpt #: 272 total cpu time spent up to now is 55.7 secs Computing kpt #: 273 total cpu time spent up to now is 56.0 secs Computing kpt #: 274 total cpu time spent up to now is 56.3 secs Computing kpt #: 275 total cpu time spent up to now is 56.5 secs Computing kpt #: 276 total cpu time spent up to now is 56.8 secs Computing kpt #: 277 total cpu time spent up to now is 57.1 secs Computing kpt #: 278 total cpu time spent up to now is 57.4 secs Computing kpt #: 279 total cpu time spent up to now is 57.6 secs Computing kpt #: 280 total cpu time spent up to now is 57.9 secs Computing kpt #: 281 total cpu time spent up to now is 58.2 secs Computing kpt #: 282 total cpu time spent up to now is 58.4 secs Computing kpt #: 283 total cpu time spent up to now is 58.7 secs Computing kpt #: 284 total cpu time spent up to now is 58.9 secs Computing kpt #: 285 total cpu time spent up to now is 59.2 secs Computing kpt #: 286 total cpu time spent up to now is 59.4 secs Computing kpt #: 287 total cpu time spent up to now is 59.7 secs Computing kpt #: 288 total cpu time spent up to now is 59.9 secs Computing kpt #: 289 total cpu time spent up to now is 60.2 secs Computing kpt #: 290 total cpu time spent up to now is 60.5 secs Computing kpt #: 291 total cpu time spent up to now is 60.7 secs Computing kpt #: 292 total cpu time spent up to now is 61.0 secs Computing kpt #: 293 total cpu time spent up to now is 61.3 secs Computing kpt #: 294 total cpu time spent up to now is 61.5 secs Computing kpt #: 295 total cpu time spent up to now is 61.8 secs Computing kpt #: 296 total cpu time spent up to now is 62.1 secs Computing kpt #: 297 total cpu time spent up to now is 62.4 secs Computing kpt #: 298 total cpu time spent up to now is 62.7 secs Computing kpt #: 299 total cpu time spent up to now is 63.0 secs Computing kpt #: 300 total cpu time spent up to now is 63.4 secs Computing kpt #: 301 total cpu time spent up to now is 63.8 secs Computing kpt #: 302 total cpu time spent up to now is 64.1 secs Computing kpt #: 303 total cpu time spent up to now is 64.4 secs Computing kpt #: 304 total cpu time spent up to now is 64.7 secs Computing kpt #: 305 total cpu time spent up to now is 65.0 secs Computing kpt #: 306 total cpu time spent up to now is 65.4 secs Computing kpt #: 307 total cpu time spent up to now is 65.7 secs Computing kpt #: 308 total cpu time spent up to now is 66.1 secs Computing kpt #: 309 total cpu time spent up to now is 66.5 secs Computing kpt #: 310 total cpu time spent up to now is 66.8 secs Computing kpt #: 311 total cpu time spent up to now is 67.2 secs Computing kpt #: 312 total cpu time spent up to now is 67.7 secs Computing kpt #: 313 total cpu time spent up to now is 68.2 secs Computing kpt #: 314 total cpu time spent up to now is 68.5 secs Computing kpt #: 315 total cpu time spent up to now is 68.8 secs Computing kpt #: 316 total cpu time spent up to now is 69.0 secs Computing kpt #: 317 total cpu time spent up to now is 69.2 secs Computing kpt #: 318 total cpu time spent up to now is 69.4 secs Computing kpt #: 319 total cpu time spent up to now is 69.5 secs Computing kpt #: 320 total cpu time spent up to now is 69.7 secs Computing kpt #: 321 total cpu time spent up to now is 69.9 secs Computing kpt #: 322 total cpu time spent up to now is 70.1 secs Computing kpt #: 323 total cpu time spent up to now is 70.3 secs Computing kpt #: 324 total cpu time spent up to now is 70.5 secs Computing kpt #: 325 total cpu time spent up to now is 70.7 secs Computing kpt #: 326 total cpu time spent up to now is 70.9 secs Computing kpt #: 327 total cpu time spent up to now is 71.1 secs Computing kpt #: 328 total cpu time spent up to now is 71.3 secs Computing kpt #: 329 total cpu time spent up to now is 71.4 secs Computing kpt #: 330 total cpu time spent up to now is 71.6 secs Computing kpt #: 331 total cpu time spent up to now is 71.8 secs Computing kpt #: 332 total cpu time spent up to now is 72.0 secs Computing kpt #: 333 total cpu time spent up to now is 72.2 secs Computing kpt #: 334 total cpu time spent up to now is 72.3 secs Computing kpt #: 335 total cpu time spent up to now is 72.5 secs Computing kpt #: 336 total cpu time spent up to now is 72.7 secs Computing kpt #: 337 total cpu time spent up to now is 72.9 secs Computing kpt #: 338 total cpu time spent up to now is 73.1 secs Computing kpt #: 339 total cpu time spent up to now is 73.3 secs Computing kpt #: 340 total cpu time spent up to now is 73.4 secs Computing kpt #: 341 total cpu time spent up to now is 73.7 secs Computing kpt #: 342 total cpu time spent up to now is 73.9 secs Computing kpt #: 343 total cpu time spent up to now is 74.1 secs Computing kpt #: 344 total cpu time spent up to now is 74.3 secs Computing kpt #: 345 total cpu time spent up to now is 74.5 secs Computing kpt #: 346 total cpu time spent up to now is 74.7 secs Computing kpt #: 347 total cpu time spent up to now is 74.9 secs Computing kpt #: 348 total cpu time spent up to now is 75.1 secs Computing kpt #: 349 total cpu time spent up to now is 75.4 secs Computing kpt #: 350 total cpu time spent up to now is 75.6 secs Computing kpt #: 351 total cpu time spent up to now is 75.7 secs Computing kpt #: 352 total cpu time spent up to now is 75.9 secs Computing kpt #: 353 total cpu time spent up to now is 76.0 secs Computing kpt #: 354 total cpu time spent up to now is 76.2 secs Computing kpt #: 355 total cpu time spent up to now is 76.3 secs Computing kpt #: 356 total cpu time spent up to now is 76.5 secs Computing kpt #: 357 total cpu time spent up to now is 76.6 secs Computing kpt #: 358 total cpu time spent up to now is 76.8 secs Computing kpt #: 359 total cpu time spent up to now is 76.9 secs Computing kpt #: 360 total cpu time spent up to now is 77.1 secs Computing kpt #: 361 total cpu time spent up to now is 77.2 secs Computing kpt #: 362 total cpu time spent up to now is 77.4 secs Computing kpt #: 363 total cpu time spent up to now is 77.6 secs Computing kpt #: 364 total cpu time spent up to now is 77.7 secs Computing kpt #: 365 total cpu time spent up to now is 77.9 secs Computing kpt #: 366 total cpu time spent up to now is 78.0 secs Computing kpt #: 367 total cpu time spent up to now is 78.2 secs Computing kpt #: 368 total cpu time spent up to now is 78.4 secs Computing kpt #: 369 total cpu time spent up to now is 78.5 secs Computing kpt #: 370 total cpu time spent up to now is 78.7 secs Computing kpt #: 371 total cpu time spent up to now is 78.9 secs Computing kpt #: 372 total cpu time spent up to now is 79.0 secs Computing kpt #: 373 total cpu time spent up to now is 79.2 secs Computing kpt #: 374 total cpu time spent up to now is 79.4 secs Computing kpt #: 375 total cpu time spent up to now is 79.6 secs Computing kpt #: 376 total cpu time spent up to now is 79.8 secs Computing kpt #: 377 total cpu time spent up to now is 80.0 secs Computing kpt #: 378 total cpu time spent up to now is 80.3 secs Computing kpt #: 379 total cpu time spent up to now is 80.7 secs Computing kpt #: 380 total cpu time spent up to now is 81.0 secs Computing kpt #: 381 total cpu time spent up to now is 81.4 secs Computing kpt #: 382 total cpu time spent up to now is 81.7 secs ethr = 3.33E-08, avg # of iterations = 18.6 total cpu time spent up to now is 81.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): -2.7729 -2.7729 0.9377 0.9377 4.5793 4.5793 7.2898 7.2898 7.3268 7.3268 8.1944 8.1944 8.8769 8.8769 8.8919 8.8919 9.1937 9.1937 9.3336 9.3336 10.0864 10.0864 10.1691 10.1691 11.4927 11.4927 12.0746 12.0746 12.3660 12.3660 14.4184 14.4184 14.5720 14.5720 14.6642 14.6642 15.5235 15.5235 k = 0.0098 0.0057-0.0000 ( 1687 PWs) bands (ev): -2.7716 -2.7716 0.9380 0.9380 4.5808 4.5808 7.2897 7.2897 7.3267 7.3267 8.1940 8.1940 8.8759 8.8759 8.8909 8.8909 9.1930 9.1930 9.3330 9.3330 10.0863 10.0863 10.1690 10.1690 11.4923 11.4923 12.0686 12.0686 12.3590 12.3590 14.4185 14.4185 14.5632 14.5632 14.6555 14.6555 15.5477 15.5477 k = 0.0196 0.0113-0.0000 ( 1683 PWs) bands (ev): -2.7676 -2.7676 0.9388 0.9388 4.5854 4.5854 7.2894 7.2894 7.3265 7.3265 8.1928 8.1928 8.8730 8.8730 8.8881 8.8881 9.1917 9.1917 9.3319 9.3319 10.0860 10.0860 10.1686 10.1686 11.4914 11.4914 12.0505 12.0505 12.3388 12.3388 14.4184 14.4184 14.5294 14.5294 14.6427 14.6427 15.6147 15.6147 k = 0.0294 0.0170-0.0000 ( 1682 PWs) bands (ev): -2.7609 -2.7609 0.9401 0.9401 4.5929 4.5929 7.2886 7.2886 7.3263 7.3263 8.1907 8.1907 8.8676 8.8676 8.8837 8.8837 9.1893 9.1893 9.3301 9.3301 10.0854 10.0854 10.1679 10.1679 11.4898 11.4898 12.0193 12.0193 12.3071 12.3071 14.4156 14.4156 14.4699 14.4699 14.6400 14.6400 15.7123 15.7123 k = 0.0392 0.0226-0.0000 ( 1686 PWs) bands (ev): -2.7516 -2.7516 0.9420 0.9420 4.6035 4.6035 7.2872 7.2872 7.3263 7.3263 8.1877 8.1877 8.8594 8.8594 8.8782 8.8782 9.1856 9.1856 9.3280 9.3280 10.0845 10.0845 10.1668 10.1668 11.4876 11.4876 11.9739 11.9739 12.2670 12.2670 14.3748 14.3748 14.4317 14.4317 14.6453 14.6453 15.8291 15.8291 k = 0.0490 0.0283-0.0000 ( 1690 PWs) bands (ev): -2.7396 -2.7396 0.9444 0.9444 4.6170 4.6170 7.2849 7.2849 7.3266 7.3266 8.1836 8.1836 8.8482 8.8482 8.8719 8.8719 9.1802 9.1802 9.3259 9.3259 10.0834 10.0834 10.1654 10.1654 11.4847 11.4847 11.9135 11.9135 12.2213 12.2213 14.2901 14.2901 14.4299 14.4299 14.6552 14.6552 15.9571 15.9571 k = 0.0588 0.0340-0.0000 ( 1692 PWs) bands (ev): -2.7249 -2.7249 0.9473 0.9473 4.6336 4.6336 7.2815 7.2815 7.3276 7.3276 8.1785 8.1785 8.8338 8.8338 8.8648 8.8648 9.1730 9.1730 9.3242 9.3242 10.0820 10.0820 10.1640 10.1640 11.4812 11.4812 11.8383 11.8383 12.1724 12.1724 14.1987 14.1987 14.4320 14.4320 14.6682 14.6682 16.0906 16.0906 k = 0.0686 0.0396-0.0000 ( 1694 PWs) bands (ev): -2.7076 -2.7076 0.9507 0.9507 4.6532 4.6532 7.2768 7.2768 7.3293 7.3293 8.1720 8.1720 8.8164 8.8164 8.8569 8.8569 9.1634 9.1634 9.3234 9.3234 10.0805 10.0805 10.1624 10.1624 11.4770 11.4770 11.7498 11.7498 12.1216 12.1216 14.1056 14.1056 14.4349 14.4349 14.6833 14.6833 16.2253 16.2253 k = 0.0784 0.0453-0.0000 ( 1696 PWs) bands (ev): -2.6877 -2.6877 0.9545 0.9545 4.6757 4.6757 7.2707 7.2707 7.3318 7.3318 8.1640 8.1640 8.7961 8.7961 8.8482 8.8482 9.1515 9.1515 9.3236 9.3236 10.0787 10.0787 10.1606 10.1606 11.4720 11.4720 11.6504 11.6504 12.0693 12.0693 14.0121 14.0121 14.4383 14.4383 14.7001 14.7001 16.3575 16.3575 k = 0.0882 0.0509-0.0000 ( 1708 PWs) bands (ev): -2.6651 -2.6651 0.9587 0.9587 4.7012 4.7012 7.2631 7.2631 7.3349 7.3349 8.1542 8.1542 8.7728 8.7728 8.8386 8.8386 9.1369 9.1369 9.3249 9.3249 10.0767 10.0767 10.1586 10.1586 11.4657 11.4657 11.5433 11.5433 12.0152 12.0152 13.9187 13.9187 14.4418 14.4418 14.7182 14.7182 16.4838 16.4838 k = 0.0980 0.0566-0.0000 ( 1718 PWs) bands (ev): -2.6399 -2.6399 0.9632 0.9632 4.7296 4.7296 7.2540 7.2540 7.3388 7.3388 8.1422 8.1422 8.7470 8.7470 8.8284 8.8284 9.1198 9.1198 9.3275 9.3275 10.0744 10.0744 10.1566 10.1566 11.4263 11.4263 11.4630 11.4630 11.9592 11.9592 13.8256 13.8256 14.4449 14.4449 14.7373 14.7373 16.6011 16.6011 k = 0.1078 0.0623-0.0000 ( 1726 PWs) bands (ev): -2.6122 -2.6122 0.9681 0.9681 4.7610 4.7610 7.2434 7.2434 7.3432 7.3432 8.1276 8.1276 8.7190 8.7190 8.8175 8.8175 9.1004 9.1004 9.3314 9.3314 10.0719 10.0719 10.1545 10.1545 11.3122 11.3122 11.4538 11.4538 11.9012 11.9012 13.7327 13.7327 14.4474 14.4474 14.7571 14.7571 16.7061 16.7061 k = 0.1176 0.0679-0.0000 ( 1738 PWs) bands (ev): -2.5818 -2.5818 0.9732 0.9732 4.7953 4.7953 7.2311 7.2311 7.3482 7.3482 8.1098 8.1098 8.6890 8.6890 8.8060 8.8060 9.0788 9.0788 9.3366 9.3366 10.0691 10.0691 10.1523 10.1523 11.1957 11.1957 11.4455 11.4455 11.8411 11.8411 13.6400 13.6400 14.4486 14.4486 14.7774 14.7774 16.7958 16.7958 k = 0.1275 0.0736-0.0000 ( 1738 PWs) bands (ev): -2.5489 -2.5489 0.9785 0.9785 4.8325 4.8325 7.2170 7.2170 7.3537 7.3537 8.0883 8.0883 8.6577 8.6577 8.7941 8.7941 9.0553 9.0553 9.3430 9.3430 10.0660 10.0660 10.1501 10.1501 11.0803 11.0803 11.4366 11.4366 11.7790 11.7790 13.5475 13.5475 14.4483 14.4483 14.7980 14.7980 16.8676 16.8676 k = 0.1373 0.0792-0.0000 ( 1734 PWs) bands (ev): -2.5135 -2.5135 0.9839 0.9839 4.8725 4.8725 7.2008 7.2008 7.3596 7.3596 8.0625 8.0625 8.6258 8.6258 8.7819 8.7819 9.0300 9.0300 9.3506 9.3506 10.0629 10.0629 10.1481 10.1481 10.9675 10.9675 11.4267 11.4267 11.7151 11.7151 13.4550 13.4550 14.4457 14.4457 14.8189 14.8189 16.9201 16.9201 k = 0.1471 0.0849-0.0000 ( 1738 PWs) bands (ev): -2.4755 -2.4755 0.9894 0.9894 4.9155 4.9155 7.1822 7.1822 7.3659 7.3659 8.0316 8.0316 8.5940 8.5940 8.7695 8.7695 9.0031 9.0031 9.3590 9.3590 10.0592 10.0592 10.1459 10.1459 10.8589 10.8589 11.4157 11.4157 11.6497 11.6497 13.3627 13.3627 14.4405 14.4405 14.8398 14.8398 16.9533 16.9533 k = 0.1569 0.0906-0.0000 ( 1738 PWs) bands (ev): -2.4351 -2.4351 0.9948 0.9948 4.9612 4.9612 7.1608 7.1608 7.3724 7.3724 7.9952 7.9952 8.5631 8.5631 8.7569 8.7569 8.9749 8.9749 9.3683 9.3683 10.0554 10.0554 10.1438 10.1438 10.7554 10.7554 11.4034 11.4034 11.5831 11.5831 13.2704 13.2704 14.4318 14.4318 14.8607 14.8607 16.9685 16.9685 k = 0.1667 0.0962-0.0000 ( 1738 PWs) bands (ev): -2.3922 -2.3922 1.0002 1.0002 5.0097 5.0097 7.1359 7.1359 7.3792 7.3792 7.9532 7.9532 8.5339 8.5339 8.7444 8.7444 8.9456 8.9456 9.3784 9.3784 10.0511 10.0511 10.1417 10.1417 10.6580 10.6580 11.3892 11.3892 11.5160 11.5160 13.1783 13.1783 14.4194 14.4194 14.8815 14.8815 16.9682 16.9682 k = 0.1765 0.1019-0.0000 ( 1738 PWs) bands (ev): -2.3468 -2.3468 1.0053 1.0053 5.0609 5.0609 7.1068 7.1068 7.3862 7.3862 7.9061 7.9061 8.5070 8.5070 8.7320 8.7320 8.9153 8.9153 9.3892 9.3892 10.0465 10.0465 10.1397 10.1397 10.5671 10.5671 11.3716 11.3716 11.4501 11.4501 13.0865 13.0865 14.4024 14.4024 14.9023 14.9023 16.9553 16.9553 k = 0.1863 0.1075-0.0000 ( 1734 PWs) bands (ev): -2.2991 -2.2991 1.0102 1.0102 5.1149 5.1149 7.0727 7.0727 7.3933 7.3933 7.8548 7.8548 8.4828 8.4828 8.7199 8.7199 8.8843 8.8843 9.4005 9.4005 10.0415 10.0415 10.1377 10.1377 10.4832 10.4832 11.3427 11.3427 11.3933 11.3933 12.9950 12.9950 14.3806 14.3806 14.9228 14.9228 16.9327 16.9327 k = 0.1961 0.1132-0.0000 ( 1736 PWs) bands (ev): -2.2490 -2.2490 1.0146 1.0146 5.1715 5.1715 7.0323 7.0323 7.4004 7.4004 7.8009 7.8009 8.4611 8.4611 8.7083 8.7083 8.8525 8.8525 9.4124 9.4124 10.0358 10.0358 10.1358 10.1358 10.4065 10.4065 11.2885 11.2885 11.3598 11.3598 12.9040 12.9040 14.3535 14.3535 14.9432 14.9432 16.9031 16.9031 k = 0.2059 0.1189-0.0000 ( 1744 PWs) bands (ev): -2.1966 -2.1966 1.0186 1.0186 5.2307 5.2307 6.9846 6.9846 7.4074 7.4074 7.7462 7.7462 8.4418 8.4418 8.6971 8.6971 8.8202 8.8202 9.4248 9.4248 10.0294 10.0294 10.1338 10.1338 10.3369 10.3369 11.2212 11.2212 11.3372 11.3372 12.8137 12.8137 14.3208 14.3208 14.9634 14.9634 16.8687 16.8687 k = 0.2157 0.1245-0.0000 ( 1742 PWs) bands (ev): -2.1419 -2.1419 1.0219 1.0219 5.2925 5.2925 6.9286 6.9286 7.4144 7.4144 7.6930 7.6930 8.4249 8.4249 8.6867 8.6867 8.7877 8.7877 9.4376 9.4376 10.0219 10.0219 10.1319 10.1319 10.2748 10.2748 11.1509 11.1509 11.3159 11.3159 12.7242 12.7242 14.2823 14.2823 14.9833 14.9833 16.8311 16.8311 k = 0.2255 0.1302-0.0000 ( 1746 PWs) bands (ev): -2.0849 -2.0849 1.0244 1.0244 5.3568 5.3568 6.8635 6.8635 7.4212 7.4212 7.6431 7.6431 8.4097 8.4097 8.6771 8.6771 8.7548 8.7548 9.4507 9.4507 10.0130 10.0130 10.1297 10.1297 10.2204 10.2204 11.0794 11.0794 11.2937 11.2937 12.6357 12.6357 14.2380 14.2380 15.0029 15.0029 16.7917 16.7917 k = 0.2353 0.1358-0.0000 ( 1744 PWs) bands (ev): -2.0258 -2.0258 1.0261 1.0261 5.4234 5.4234 6.7891 6.7891 7.4278 7.4278 7.5979 7.5979 8.3960 8.3960 8.6683 8.6683 8.7220 8.7220 9.4641 9.4641 10.0019 10.0019 10.1266 10.1266 10.1746 10.1746 11.0077 11.0077 11.2700 11.2700 12.5485 12.5485 14.1881 14.1881 15.0222 15.0222 16.7515 16.7515 k = 0.2451 0.1415-0.0000 ( 1740 PWs) bands (ev): -1.9646 -1.9646 1.0267 1.0267 5.4925 5.4925 6.7059 6.7059 7.4340 7.4340 7.5583 7.5583 8.3836 8.3836 8.6602 8.6602 8.6898 8.6898 9.4777 9.4777 9.9876 9.9876 10.1185 10.1185 10.1423 10.1423 10.9360 10.9360 11.2444 11.2444 12.4627 12.4627 14.1329 14.1329 15.0412 15.0412 16.7115 16.7115 k = 0.2549 0.1472-0.0000 ( 1742 PWs) bands (ev): -1.9013 -1.9013 1.0261 1.0261 5.5638 5.5638 6.6148 6.6148 7.4394 7.4394 7.5247 7.5247 8.3720 8.3720 8.6478 8.6478 8.6629 8.6629 9.4915 9.4915 9.9691 9.9691 10.0973 10.0973 10.1314 10.1314 10.8644 10.8644 11.2166 11.2166 12.3786 12.3786 14.0728 14.0728 15.0597 15.0597 16.6721 16.6721 k = 0.2647 0.1528-0.0000 ( 1746 PWs) bands (ev): -1.8361 -1.8361 1.0242 1.0242 5.6372 5.6372 6.5171 6.5171 7.4434 7.4434 7.4974 7.4974 8.3611 8.3611 8.6194 8.6194 8.6534 8.6534 9.5053 9.5053 9.9466 9.9466 10.0765 10.0765 10.1282 10.1282 10.7933 10.7933 11.1864 11.1864 12.2964 12.2964 14.0084 14.0084 15.0778 15.0778 16.6339 16.6339 k = 0.2745 0.1585-0.0000 ( 1746 PWs) bands (ev): -1.7689 -1.7689 1.0207 1.0207 5.7125 5.7125 6.4145 6.4145 7.4439 7.4439 7.4782 7.4782 8.3507 8.3507 8.5873 8.5873 8.6495 8.6495 9.5191 9.5191 9.9215 9.9215 10.0607 10.0607 10.1262 10.1262 10.7228 10.7228 11.1538 11.1538 12.2162 12.2162 13.9405 13.9405 15.0954 15.0954 16.5973 16.5973 k = 0.2843 0.1641-0.0000 ( 1740 PWs) bands (ev): -1.6998 -1.6998 1.0156 1.0156 5.7896 5.7896 6.3085 6.3085 7.4367 7.4367 7.4704 7.4704 8.3405 8.3405 8.5549 8.5549 8.6478 8.6478 9.5332 9.5332 9.8952 9.8952 10.0489 10.0489 10.1247 10.1247 10.6529 10.6529 11.1186 11.1186 12.1385 12.1385 13.8698 13.8698 15.1125 15.1125 16.5623 16.5623 k = 0.2941 0.1698-0.0000 ( 1736 PWs) bands (ev): -1.6291 -1.6291 1.0085 1.0085 5.8678 5.8678 6.2012 6.2012 7.4248 7.4248 7.4706 7.4706 8.3305 8.3305 8.5227 8.5227 8.6480 8.6480 9.5469 9.5469 9.8689 9.8689 10.0397 10.0397 10.1233 10.1233 10.5840 10.5840 11.0805 11.0805 12.0633 12.0633 13.7973 13.7973 15.1291 15.1291 16.5294 16.5294 k = 0.3039 0.1755-0.0000 ( 1736 PWs) bands (ev): -1.5567 -1.5567 0.9995 0.9995 5.9435 5.9435 6.0970 6.0970 7.4133 7.4133 7.4731 7.4731 8.3204 8.3204 8.4906 8.4906 8.6499 8.6499 9.5604 9.5604 9.8432 9.8432 10.0321 10.0321 10.1219 10.1219 10.5161 10.5161 11.0395 11.0395 11.9909 11.9909 13.7237 13.7237 15.1450 15.1450 16.4985 16.4985 k = 0.3137 0.1811-0.0000 ( 1742 PWs) bands (ev): -1.4827 -1.4827 0.9881 0.9881 5.9581 5.9581 6.0556 6.0556 7.4036 7.4036 7.4759 7.4759 8.3101 8.3101 8.4588 8.4588 8.6536 8.6536 9.5737 9.5737 9.8185 9.8185 10.0255 10.0255 10.1204 10.1204 10.4494 10.4494 10.9956 10.9956 11.9214 11.9214 13.6501 13.6501 15.1603 15.1603 16.4698 16.4698 k = 0.3235 0.1868-0.0000 ( 1742 PWs) bands (ev): -1.4073 -1.4073 0.9745 0.9745 5.8623 5.8623 6.1272 6.1272 7.3962 7.3962 7.4787 7.4787 8.2997 8.2997 8.4273 8.4273 8.6593 8.6593 9.5867 9.5867 9.7948 9.7948 10.0197 10.0197 10.1187 10.1187 10.3843 10.3843 10.9487 10.9487 11.8551 11.8551 13.5771 13.5771 15.1749 15.1749 16.4433 16.4433 k = 0.3333 0.1925-0.0000 ( 1738 PWs) bands (ev): -1.3306 -1.3306 0.9583 0.9583 5.7578 5.7578 6.2107 6.2107 7.3907 7.3907 7.4811 7.4811 8.2891 8.2891 8.3962 8.3962 8.6668 8.6668 9.5993 9.5993 9.7722 9.7722 10.0145 10.0145 10.1165 10.1165 10.3211 10.3211 10.8988 10.8988 11.7922 11.7922 13.5058 13.5058 15.1889 15.1889 16.4190 16.4190 k = 0.3431 0.1981-0.0000 ( 1734 PWs) bands (ev): -1.2528 -1.2528 0.9394 0.9394 5.6547 5.6547 6.2968 6.2968 7.3871 7.3871 7.4831 7.4831 8.2782 8.2782 8.3653 8.3653 8.6761 8.6761 9.6115 9.6115 9.7508 9.7508 10.0096 10.0096 10.1128 10.1128 10.2609 10.2609 10.8463 10.8463 11.7327 11.7327 13.4366 13.4366 15.2022 15.2022 16.3970 16.3970 k = 0.3529 0.2038-0.0000 ( 1734 PWs) bands (ev): -1.1739 -1.1739 0.9176 0.9176 5.5545 5.5545 6.3842 6.3842 7.3852 7.3852 7.4847 7.4847 8.2669 8.2669 8.3347 8.3347 8.6872 8.6872 9.6232 9.6232 9.7301 9.7301 10.0048 10.0048 10.1054 10.1054 10.2061 10.2061 10.7913 10.7913 11.6768 11.6768 13.3704 13.3704 15.2147 15.2147 16.3772 16.3772 k = 0.3627 0.2094-0.0000 ( 1738 PWs) bands (ev): -1.0943 -1.0943 0.8928 0.8928 5.4581 5.4581 6.4724 6.4724 7.3849 7.3849 7.4860 7.4860 8.2553 8.2553 8.3043 8.3043 8.7001 8.7001 9.6341 9.6341 9.7100 9.7100 10.0000 10.0000 10.0871 10.0871 10.1641 10.1641 10.7341 10.7341 11.6246 11.6246 13.3076 13.3076 15.2265 15.2265 16.3595 16.3595 k = 0.3725 0.2151-0.0000 ( 1738 PWs) bands (ev): -1.0141 -1.0141 0.8650 0.8650 5.3661 5.3661 6.5610 6.5610 7.3858 7.3858 7.4868 7.4868 8.2431 8.2431 8.2742 8.2742 8.7146 8.7146 9.6447 9.6447 9.6911 9.6911 9.9947 9.9947 10.0507 10.0507 10.1432 10.1432 10.6753 10.6753 11.5760 11.5760 13.2486 13.2486 15.2375 15.2375 16.3439 16.3439 k = 0.3824 0.2208-0.0000 ( 1742 PWs) bands (ev): -0.9335 -0.9335 0.8341 0.8341 5.2793 5.2793 6.6497 6.6497 7.3881 7.3881 7.4873 7.4873 8.2294 8.2294 8.2454 8.2454 8.7306 8.7306 9.6544 9.6544 9.6728 9.6728 9.9837 9.9837 10.0092 10.0092 10.1352 10.1352 10.6155 10.6155 11.5313 11.5313 13.1939 13.1939 15.2477 15.2477 16.3304 16.3304 k = 0.3922 0.2264-0.0000 ( 1742 PWs) bands (ev): -0.8528 -0.8528 0.8000 0.8000 5.1979 5.1979 6.7381 6.7381 7.3913 7.3913 7.4874 7.4874 8.2076 8.2076 8.2244 8.2244 8.7479 8.7479 9.6552 9.6552 9.6635 9.6635 9.9456 9.9456 9.9928 9.9928 10.1316 10.1316 10.5555 10.5555 11.4904 11.4904 13.1435 13.1435 15.2572 15.2572 16.3187 16.3187 k = 0.4020 0.2321-0.0000 ( 1738 PWs) bands (ev): -0.7724 -0.7724 0.7630 0.7630 5.1224 5.1224 6.8257 6.8257 7.3954 7.3954 7.4875 7.4875 8.1781 8.1781 8.2107 8.2107 8.7664 8.7664 9.6384 9.6384 9.6719 9.6719 9.8981 9.8981 9.9869 9.9869 10.1297 10.1297 10.4961 10.4961 11.4533 11.4533 13.0976 13.0976 15.2659 15.2659 16.3089 16.3089 k = 0.4118 0.2377-0.0000 ( 1738 PWs) bands (ev): -0.6925 -0.6925 0.7231 0.7231 5.0532 5.0532 6.9121 6.9121 7.4001 7.4001 7.4872 7.4872 8.1468 8.1468 8.1986 8.1986 8.7857 8.7857 9.6220 9.6220 9.6792 9.6792 9.8519 9.8519 9.9820 9.9820 10.1286 10.1286 10.4384 10.4384 11.4200 11.4200 13.0564 13.0564 15.2737 15.2737 16.3007 16.3007 k = 0.4216 0.2434-0.0000 ( 1746 PWs) bands (ev): -0.6138 -0.6138 0.6806 0.6806 4.9905 4.9905 6.9965 6.9965 7.4053 7.4053 7.4867 7.4867 8.1144 8.1144 8.1871 8.1871 8.8056 8.8056 9.6061 9.6061 9.6852 9.6852 9.8090 9.8090 9.9771 9.9771 10.1277 10.1277 10.3833 10.3833 11.3903 11.3903 13.0198 13.0198 15.2808 15.2808 16.2940 16.2940 k = 0.4314 0.2491-0.0000 ( 1748 PWs) bands (ev): -0.5368 -0.5368 0.6360 0.6360 4.9347 4.9347 7.0784 7.0784 7.4106 7.4106 7.4861 7.4861 8.0813 8.0813 8.1763 8.1763 8.8256 8.8256 9.5904 9.5904 9.6896 9.6896 9.7708 9.7708 9.9719 9.9719 10.1272 10.1272 10.3321 10.3321 11.3644 11.3644 12.9877 12.9877 15.2870 15.2870 16.2886 16.2886 k = 0.4412 0.2547-0.0000 ( 1744 PWs) bands (ev): -0.4623 -0.4623 0.5899 0.5899 4.8859 4.8859 7.1567 7.1567 7.4160 7.4160 7.4855 7.4855 8.0475 8.0475 8.1663 8.1663 8.8453 8.8453 9.5749 9.5749 9.6907 9.6907 9.7399 9.7399 9.9665 9.9665 10.1269 10.1269 10.2861 10.2861 11.3421 11.3421 12.9602 12.9602 15.2924 15.2924 16.2845 16.2845 k = 0.4510 0.2604-0.0000 ( 1746 PWs) bands (ev): -0.3916 -0.3916 0.5433 0.5433 4.8443 4.8443 7.2304 7.2304 7.4212 7.4212 7.4849 7.4849 8.0132 8.0132 8.1573 8.1573 8.8640 8.8640 9.5596 9.5596 9.6835 9.6835 9.7218 9.7218 9.9606 9.9606 10.1266 10.1266 10.2460 10.2460 11.3234 11.3234 12.9371 12.9371 15.2970 15.2970 16.2814 16.2814 k = 0.4608 0.2660-0.0000 ( 1746 PWs) bands (ev): -0.3261 -0.3261 0.4977 0.4977 4.8102 4.8102 7.2978 7.2978 7.4261 7.4261 7.4844 7.4844 7.9793 7.9793 8.1496 8.1496 8.8810 8.8810 9.5446 9.5446 9.6681 9.6681 9.7171 9.7171 9.9545 9.9545 10.1263 10.1263 10.2130 10.2130 11.3081 11.3081 12.9184 12.9184 15.3007 15.3007 16.2791 16.2791 k = 0.4706 0.2717-0.0000 ( 1744 PWs) bands (ev): -0.2683 -0.2683 0.4556 0.4556 4.7835 4.7835 7.3562 7.3562 7.4307 7.4307 7.4838 7.4838 7.9472 7.9472 8.1433 8.1433 8.8956 8.8956 9.5310 9.5310 9.6531 9.6531 9.7170 9.7170 9.9487 9.9487 10.1259 10.1259 10.1875 10.1875 11.2964 11.2964 12.9039 12.9039 15.3036 15.3036 16.2775 16.2775 k = 0.4804 0.2774-0.0000 ( 1740 PWs) bands (ev): -0.2217 -0.2217 0.4202 0.4202 4.7644 4.7644 7.4013 7.4013 7.4362 7.4362 7.4835 7.4835 7.9194 7.9194 8.1387 8.1387 8.9068 8.9068 9.5198 9.5198 9.6421 9.6421 9.7179 9.7179 9.9437 9.9437 10.1254 10.1254 10.1699 10.1699 11.2880 11.2880 12.8937 12.8937 15.3057 15.3057 16.2765 16.2765 k = 0.4902 0.2830-0.0000 ( 1746 PWs) bands (ev): -0.1908 -0.1908 0.3959 0.3959 4.7528 4.7528 7.4236 7.4236 7.4474 7.4474 7.4830 7.4830 7.8999 7.8999 8.1359 8.1359 8.9139 8.9139 9.5122 9.5122 9.6354 9.6354 9.7185 9.7185 9.9404 9.9404 10.1249 10.1249 10.1597 10.1597 11.2830 11.2830 12.8875 12.8875 15.3070 15.3070 16.2759 16.2759 k = 0.5000 0.2887-0.0000 ( 1746 PWs) bands (ev): -0.1798 -0.1798 0.3872 0.3872 4.7490 4.7490 7.4275 7.4275 7.4553 7.4553 7.4830 7.4830 7.8927 7.8927 8.1349 8.1349 8.9163 8.9163 9.5096 9.5096 9.6332 9.6332 9.7187 9.7187 9.9392 9.9392 10.1246 10.1246 10.1563 10.1563 11.2813 11.2813 12.8855 12.8855 15.3074 15.3074 16.2758 16.2758 k = 0.5000 0.2887-0.0000 ( 1746 PWs) bands (ev): -0.1798 -0.1798 0.3872 0.3872 4.7490 4.7490 7.4275 7.4275 7.4553 7.4553 7.4830 7.4830 7.8927 7.8927 8.1349 8.1349 8.9163 8.9163 9.5096 9.5096 9.6332 9.6332 9.7187 9.7187 9.9392 9.9392 10.1246 10.1246 10.1563 10.1563 11.2813 11.2813 12.8855 12.8855 15.3074 15.3074 16.2758 16.2758 k = 0.4944 0.2983-0.0000 ( 1742 PWs) bands (ev): -0.1791 -0.1791 0.3877 0.3877 4.7494 4.7494 7.3980 7.3980 7.4562 7.4562 7.5131 7.5131 7.8924 7.8924 8.1264 8.1264 8.9162 8.9162 9.5109 9.5109 9.6350 9.6350 9.7206 9.7206 9.9393 9.9393 10.1246 10.1246 10.1562 10.1562 11.2844 11.2844 12.8838 12.8838 15.2857 15.2857 16.2824 16.2824 k = 0.4889 0.3079-0.0000 ( 1742 PWs) bands (ev): -0.1768 -0.1768 0.3895 0.3895 4.7504 4.7504 7.3519 7.3519 7.4589 7.4589 7.5606 7.5606 7.8914 7.8914 8.1013 8.1013 8.9158 8.9158 9.5144 9.5144 9.6403 9.6403 9.7260 9.7260 9.9398 9.9398 10.1244 10.1244 10.1558 10.1558 11.2936 11.2936 12.8789 12.8789 15.2239 15.2239 16.3025 16.3025 k = 0.4833 0.3175-0.0000 ( 1746 PWs) bands (ev): -0.1731 -0.1731 0.3923 0.3923 4.7522 4.7522 7.3043 7.3043 7.4634 7.4634 7.6104 7.6104 7.8897 7.8897 8.0610 8.0610 8.9153 8.9153 9.5191 9.5191 9.6488 9.6488 9.7348 9.7348 9.9404 9.9404 10.1240 10.1240 10.1551 10.1551 11.3086 11.3086 12.8705 12.8705 15.1297 15.1297 16.3358 16.3358 k = 0.4778 0.3272-0.0000 ( 1747 PWs) bands (ev): -0.1679 -0.1679 0.3962 0.3962 4.7545 4.7545 7.2570 7.2570 7.4698 7.4698 7.6603 7.6603 7.8869 7.8869 8.0080 8.0080 8.9148 8.9148 9.5244 9.5244 9.6602 9.6602 9.7473 9.7473 9.9414 9.9414 10.1234 10.1234 10.1542 10.1542 11.3290 11.3290 12.8587 12.8587 15.0121 15.0121 16.3824 16.3824 k = 0.4722 0.3368-0.0000 ( 1745 PWs) bands (ev): -0.1611 -0.1611 0.4012 0.4012 4.7574 4.7574 7.2102 7.2102 7.4779 7.4779 7.7083 7.7083 7.8814 7.8814 7.9479 7.9479 8.9146 8.9146 9.5295 9.5295 9.6737 9.6737 9.7632 9.7632 9.9426 9.9426 10.1229 10.1229 10.1531 10.1531 11.3542 11.3542 12.8433 12.8433 14.8786 14.8786 16.4420 16.4420 k = 0.4667 0.3464-0.0000 ( 1751 PWs) bands (ev): -0.1530 -0.1530 0.4072 0.4072 4.7608 4.7608 7.1642 7.1642 7.4878 7.4878 7.7467 7.7467 7.8593 7.8593 7.9040 7.9040 8.9145 8.9145 9.5341 9.5341 9.6884 9.6884 9.7823 9.7823 9.9439 9.9439 10.1221 10.1221 10.1517 10.1517 11.3836 11.3836 12.8242 12.8242 14.7349 14.7349 16.5147 16.5147 k = 0.4611 0.3560-0.0000 ( 1749 PWs) bands (ev): -0.1434 -0.1434 0.4140 0.4140 4.7646 4.7646 7.1191 7.1191 7.4992 7.4992 7.7339 7.7339 7.8420 7.8420 7.8986 7.8986 8.9148 8.9148 9.5382 9.5382 9.7034 9.7034 9.8047 9.8047 9.9458 9.9458 10.1211 10.1211 10.1502 10.1502 11.4163 11.4163 12.8012 12.8012 14.5852 14.5852 16.6001 16.6001 k = 0.4556 0.3657-0.0000 ( 1757 PWs) bands (ev): -0.1323 -0.1323 0.4217 0.4217 4.7686 4.7686 7.0749 7.0749 7.5122 7.5122 7.6595 7.6595 7.8570 7.8570 7.9165 7.9165 8.9154 8.9154 9.5417 9.5417 9.7179 9.7179 9.8297 9.8297 9.9479 9.9479 10.1200 10.1200 10.1485 10.1485 11.4516 11.4516 12.7740 12.7740 14.4323 14.4323 16.6439 16.6439 k = 0.4500 0.3753-0.0000 ( 1753 PWs) bands (ev): -0.1198 -0.1198 0.4301 0.4301 4.7727 4.7727 7.0317 7.0317 7.5262 7.5262 7.5691 7.5691 7.8618 7.8618 7.9568 7.9568 8.9164 8.9164 9.5447 9.5447 9.7315 9.7315 9.8574 9.8574 9.9507 9.9507 10.1189 10.1189 10.1469 10.1469 11.4889 11.4889 12.7425 12.7425 14.2783 14.2783 16.4804 16.4804 k = 0.4444 0.3849-0.0000 ( 1753 PWs) bands (ev): -0.1060 -0.1060 0.4391 0.4391 4.7768 4.7768 6.9895 6.9895 7.4714 7.4714 7.5437 7.5437 7.8605 7.8605 8.0056 8.0056 8.9176 8.9176 9.5474 9.5474 9.7436 9.7436 9.8866 9.8866 9.9548 9.9548 10.1175 10.1175 10.1456 10.1456 11.5273 11.5273 12.7064 12.7064 14.1248 14.1248 16.3231 16.3231 k = 0.4389 0.3945-0.0000 ( 1753 PWs) bands (ev): -0.0908 -0.0908 0.4486 0.4486 4.7805 4.7805 6.9484 6.9484 7.3732 7.3732 7.5608 7.5608 7.8576 7.8576 8.0571 8.0571 8.9191 8.9191 9.5498 9.5498 9.7541 9.7541 9.9145 9.9145 9.9626 9.9626 10.1160 10.1160 10.1448 10.1448 11.5663 11.5663 12.6654 12.6654 13.9727 13.9727 16.1728 16.1728 k = 0.4333 0.4041-0.0000 ( 1745 PWs) bands (ev): -0.0742 -0.0742 0.4584 0.4584 4.7838 4.7838 6.9084 6.9084 7.2744 7.2744 7.5793 7.5793 7.8540 7.8540 8.1094 8.1094 8.9208 8.9208 9.5520 9.5520 9.7630 9.7630 9.9344 9.9344 9.9801 9.9801 10.1146 10.1146 10.1453 10.1453 11.6053 11.6053 12.6194 12.6194 13.8231 13.8231 16.0298 16.0298 k = 0.4278 0.4138-0.0000 ( 1747 PWs) bands (ev): -0.0563 -0.0563 0.4683 0.4683 4.7863 4.7863 6.8694 6.8694 7.1766 7.1766 7.5990 7.5990 7.8503 7.8503 8.1617 8.1617 8.9226 8.9226 9.5539 9.5539 9.7701 9.7701 9.9438 9.9438 10.0079 10.0079 10.1129 10.1129 10.1484 10.1484 11.6438 11.6438 12.5682 12.5682 13.6767 13.6767 15.8949 15.8949 k = 0.4222 0.4234-0.0000 ( 1747 PWs) bands (ev): -0.0372 -0.0372 0.4781 0.4781 4.7879 4.7879 6.8314 6.8314 7.0813 7.0813 7.6196 7.6196 7.8467 7.8467 8.2137 8.2137 8.9247 8.9247 9.5556 9.5556 9.7756 9.7756 9.9487 9.9487 10.0373 10.0373 10.1111 10.1111 10.1573 10.1573 11.6815 11.6815 12.5117 12.5117 13.5340 13.5340 15.7682 15.7682 k = 0.4167 0.4330-0.0000 ( 1743 PWs) bands (ev): -0.0168 -0.0168 0.4876 0.4876 4.7881 4.7881 6.7945 6.7945 6.9897 6.9897 7.6409 7.6409 7.8433 7.8433 8.2650 8.2650 8.9269 8.9269 9.5572 9.5572 9.7797 9.7797 9.9521 9.9521 10.0602 10.0602 10.1092 10.1092 10.1769 10.1769 11.7182 11.7182 12.4497 12.4497 13.3957 13.3957 15.6503 15.6503 k = 0.4111 0.4426-0.0000 ( 1743 PWs) bands (ev): 0.0047 0.0047 0.4967 0.4967 4.7869 4.7869 6.7582 6.7582 6.9029 6.9029 7.6625 7.6625 7.8402 7.8402 8.3154 8.3154 8.9294 8.9294 9.5587 9.5587 9.7824 9.7824 9.9551 9.9551 10.0730 10.0730 10.1070 10.1070 10.2097 10.2097 11.7535 11.7535 12.3823 12.3823 13.2622 13.2622 15.5413 15.5413 k = 0.4056 0.4523-0.0000 ( 1745 PWs) bands (ev): 0.0274 0.0274 0.5049 0.5049 4.7838 4.7838 6.7223 6.7223 6.8226 6.8226 7.6846 7.6846 7.8376 7.8376 8.3646 8.3646 8.9317 8.9317 9.5598 9.5598 9.7837 9.7837 9.9578 9.9578 10.0780 10.0780 10.1046 10.1046 10.2531 10.2531 11.7875 11.7875 12.3099 12.3099 13.1340 13.1340 15.4414 15.4414 k = 0.4000 0.4619-0.0000 ( 1753 PWs) bands (ev): 0.0512 0.0512 0.5120 0.5120 4.7789 4.7789 6.6850 6.6850 6.7510 6.7510 7.7066 7.7066 7.8356 7.8356 8.4122 8.4122 8.9343 8.9343 9.5607 9.5607 9.7838 9.7838 9.9605 9.9605 10.0786 10.0786 10.1019 10.1019 10.3034 10.3034 11.8201 11.8201 12.2326 12.2326 13.0116 13.0116 15.3506 15.3506 k = 0.3944 0.4715-0.0000 ( 1751 PWs) bands (ev): 0.0761 0.0761 0.5179 0.5179 4.7718 4.7718 6.6429 6.6429 6.6927 6.6927 7.7284 7.7284 7.8343 7.8343 8.4581 8.4581 8.9369 8.9369 9.5616 9.5616 9.7830 9.7830 9.9634 9.9634 10.0770 10.0770 10.0992 10.0992 10.3585 10.3585 11.8511 11.8511 12.1508 12.1508 12.8953 12.8953 15.2688 15.2688 k = 0.3889 0.4811-0.0000 ( 1751 PWs) bands (ev): 0.1019 0.1019 0.5220 0.5220 4.7627 4.7627 6.5939 6.5939 6.6502 6.6502 7.7494 7.7494 7.8339 7.8339 8.5018 8.5018 8.9395 8.9395 9.5622 9.5622 9.7812 9.7812 9.9665 9.9665 10.0739 10.0739 10.0965 10.0965 10.4173 10.4173 11.8805 11.8805 12.0653 12.0653 12.7856 12.7856 15.1959 15.1959 k = 0.3833 0.4907-0.0000 ( 1751 PWs) bands (ev): 0.1287 0.1287 0.5242 0.5242 4.7516 4.7516 6.5450 6.5450 6.6169 6.6169 7.7691 7.7691 7.8347 7.8347 8.5430 8.5430 8.9420 8.9420 9.5625 9.5625 9.7786 9.7786 9.9697 9.9697 10.0701 10.0701 10.0939 10.0939 10.4791 10.4791 11.9068 11.9068 11.9781 11.9781 12.6829 12.6829 15.1316 15.1316 k = 0.3778 0.5004-0.0000 ( 1759 PWs) bands (ev): 0.1563 0.1563 0.5240 0.5240 4.7389 4.7389 6.5016 6.5016 6.5877 6.5877 7.7866 7.7866 7.8371 7.8371 8.5814 8.5814 8.9446 8.9446 9.5627 9.5627 9.7754 9.7754 9.9732 9.9732 10.0656 10.0656 10.0913 10.0913 10.5434 10.5434 11.8785 11.8785 11.9416 11.9416 12.5876 12.5876 15.0757 15.0757 k = 0.3722 0.5100-0.0000 ( 1763 PWs) bands (ev): 0.1848 0.1848 0.5211 0.5211 4.7248 4.7248 6.4654 6.4654 6.5613 6.5613 7.8012 7.8012 7.8418 7.8418 8.6165 8.6165 8.9469 8.9469 9.5627 9.5627 9.7716 9.7716 9.9770 9.9770 10.0608 10.0608 10.0887 10.0887 10.6104 10.6104 11.7871 11.7871 11.9651 11.9651 12.5001 12.5001 15.0276 15.0276 k = 0.3667 0.5196-0.0000 ( 1763 PWs) bands (ev): 0.2140 0.2140 0.5152 0.5152 4.7102 4.7102 6.4368 6.4368 6.5369 6.5369 7.8119 7.8119 7.8493 7.8493 8.6480 8.6480 8.9492 8.9492 9.5626 9.5626 9.7676 9.7676 9.9810 9.9810 10.0558 10.0558 10.0864 10.0864 10.6796 10.6796 11.6925 11.6925 11.9898 11.9898 12.4208 12.4208 14.9871 14.9871 k = 0.3611 0.5292-0.0000 ( 1759 PWs) bands (ev): 0.2438 0.2438 0.5060 0.5060 4.6955 4.6955 6.4157 6.4157 6.5146 6.5146 7.8195 7.8195 7.8584 7.8584 8.6754 8.6754 8.9513 8.9513 9.5624 9.5624 9.7634 9.7634 9.9852 9.9852 10.0507 10.0507 10.0843 10.0843 10.7510 10.7510 11.5975 11.5975 12.0139 12.0139 12.3498 12.3498 14.9538 14.9538 k = 0.3556 0.5389-0.0000 ( 1767 PWs) bands (ev): 0.2743 0.2743 0.4932 0.4932 4.6817 4.6817 6.4016 6.4016 6.4941 6.4941 7.8253 7.8253 7.8672 7.8672 8.6984 8.6984 8.9531 8.9531 9.5622 9.5622 9.7592 9.7592 9.9895 9.9895 10.0456 10.0456 10.0823 10.0823 10.8242 10.8242 11.5030 11.5030 12.0373 12.0373 12.2876 12.2876 14.9273 14.9273 k = 0.3500 0.5485-0.0000 ( 1763 PWs) bands (ev): 0.3052 0.3052 0.4765 0.4765 4.6695 4.6695 6.3940 6.3940 6.4759 6.4759 7.8304 7.8304 7.8744 7.8744 8.7166 8.7166 8.9547 8.9547 9.5621 9.5621 9.7555 9.7555 9.9938 9.9938 10.0410 10.0410 10.0807 10.0807 10.8992 10.8992 11.4103 11.4103 12.0602 12.0602 12.2343 12.2343 14.9072 14.9072 k = 0.3444 0.5581-0.0000 ( 1767 PWs) bands (ev): 0.3365 0.3365 0.4556 0.4556 4.6598 4.6598 6.3917 6.3917 6.4604 6.4604 7.8351 7.8351 7.8791 7.8791 8.7298 8.7298 8.9560 8.9560 9.5620 9.5620 9.7523 9.7523 9.9976 9.9976 10.0369 10.0369 10.0793 10.0793 10.9750 10.9750 11.3208 11.3208 12.0825 12.0825 12.1901 12.1901 14.8932 14.8932 k = 0.3389 0.5677-0.0000 ( 1775 PWs) bands (ev): 0.3681 0.3681 0.4304 0.4304 4.6535 4.6535 6.3930 6.3930 6.4489 6.4489 7.8391 7.8391 7.8810 7.8810 8.7378 8.7378 8.9567 8.9567 9.5618 9.5618 9.7501 9.7501 10.0004 10.0004 10.0340 10.0340 10.0783 10.0783 11.0491 11.0491 11.2378 11.2378 12.1040 12.1040 12.1553 12.1553 14.8849 14.8849 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): 0.3959 0.3959 0.4048 0.4048 4.6513 4.6513 6.3944 6.3944 6.4442 6.4442 7.8410 7.8410 7.8812 7.8812 8.7404 8.7404 8.9570 8.9570 9.5619 9.5619 9.7493 9.7493 10.0015 10.0015 10.0330 10.0330 10.0780 10.0780 11.0969 11.0969 11.1869 11.1869 12.1193 12.1193 12.1357 12.1357 14.8822 14.8822 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): 0.3959 0.3959 0.4048 0.4048 4.6513 4.6513 6.3944 6.3944 6.4442 6.4442 7.8410 7.8410 7.8812 7.8812 8.7404 8.7404 8.9570 8.9570 9.5619 9.5619 9.7493 9.7493 10.0015 10.0015 10.0330 10.0330 10.0780 10.0780 11.0969 11.0969 11.1869 11.1869 12.1193 12.1193 12.1357 12.1357 14.8822 14.8822 k = 0.3277 0.5676-0.0000 ( 1771 PWs) bands (ev): 0.3651 0.3651 0.4333 0.4333 4.6538 4.6538 6.3922 6.3922 6.4497 6.4497 7.8378 7.8378 7.8821 7.8821 8.7377 8.7377 8.9567 8.9567 9.5619 9.5619 9.7503 9.7503 10.0004 10.0004 10.0339 10.0339 10.0785 10.0785 11.0494 11.0494 11.2379 11.2379 12.1079 12.1079 12.1516 12.1516 14.8850 14.8850 k = 0.3220 0.5578-0.0000 ( 1769 PWs) bands (ev): 0.3256 0.3256 0.4658 0.4658 4.6618 4.6618 6.3866 6.3866 6.4646 6.4646 7.8266 7.8266 7.8862 7.8862 8.7298 8.7298 8.9557 8.9557 9.5616 9.5616 9.7533 9.7533 9.9974 9.9974 10.0363 10.0363 10.0798 10.0798 10.9794 10.9794 11.3188 11.3188 12.0994 12.0994 12.1735 12.1735 14.8930 14.8930 k = 0.3164 0.5480-0.0000 ( 1771 PWs) bands (ev): 0.2813 0.2813 0.4985 0.4985 4.6756 4.6756 6.3802 6.3802 6.4857 6.4857 7.8069 7.8069 7.8937 7.8937 8.7169 8.7169 8.9540 8.9540 9.5609 9.5609 9.7585 9.7585 9.9932 9.9932 10.0389 10.0389 10.0821 10.0821 10.9125 10.9125 11.4047 11.4047 12.0989 12.0989 12.1963 12.1963 14.9062 14.9062 k = 0.3107 0.5382-0.0000 ( 1771 PWs) bands (ev): 0.2324 0.2324 0.5309 0.5309 4.6956 4.6956 6.3747 6.3747 6.5113 6.5113 7.7797 7.7797 7.9035 7.9035 8.6996 8.6996 8.9515 8.9515 9.5598 9.5598 9.7661 9.7661 9.9881 9.9881 10.0410 10.0410 10.0855 10.0855 10.8520 10.8520 11.4931 11.4931 12.1062 12.1062 12.2195 12.2195 14.9244 14.9244 k = 0.3051 0.5284-0.0000 ( 1775 PWs) bands (ev): 0.1791 0.1791 0.5631 0.5631 4.7220 4.7220 6.3705 6.3705 6.5401 6.5401 7.7453 7.7453 7.9148 7.9148 8.6783 8.6783 8.9481 8.9481 9.5584 9.5584 9.7761 9.7761 9.9825 9.9825 10.0421 10.0421 10.0894 10.0894 10.7991 10.7991 11.5832 11.5832 12.1210 12.1210 12.2435 12.2435 14.9476 14.9476 k = 0.2994 0.5186-0.0000 ( 1771 PWs) bands (ev): 0.1217 0.1217 0.5950 0.5950 4.7549 4.7549 6.3681 6.3681 6.5715 6.5715 7.7042 7.7042 7.9278 7.9278 8.6537 8.6537 8.9439 8.9439 9.5567 9.5567 9.7885 9.7885 9.9763 9.9763 10.0425 10.0425 10.0936 10.0936 10.7548 10.7548 11.6750 11.6750 12.1428 12.1428 12.2682 12.2682 14.9757 14.9757 k = 0.2938 0.5089-0.0000 ( 1763 PWs) bands (ev): 0.0604 0.0604 0.6264 0.6264 4.7943 4.7943 6.3675 6.3675 6.6050 6.6050 7.6566 7.6566 7.9420 7.9420 8.6263 8.6263 8.9388 8.9388 9.5550 9.5550 9.8030 9.8030 9.9694 9.9694 10.0420 10.0420 10.0975 10.0975 10.7196 10.7196 11.7682 11.7682 12.1710 12.1710 12.2938 12.2938 15.0088 15.0088 k = 0.2881 0.4991-0.0000 ( 1763 PWs) bands (ev): -0.0044 -0.0044 0.6572 0.6572 4.8401 4.8401 6.3688 6.3688 6.6401 6.6401 7.6028 7.6028 7.9574 7.9574 8.5967 8.5967 8.9328 8.9328 9.5535 9.5535 9.8193 9.8193 9.9617 9.9617 10.0406 10.0406 10.1006 10.1006 10.6938 10.6938 11.8626 11.8626 12.2050 12.2050 12.3205 12.3205 15.0467 15.0467 k = 0.2825 0.4893-0.0000 ( 1755 PWs) bands (ev): -0.0724 -0.0724 0.6873 0.6873 4.8922 4.8922 6.3722 6.3722 6.6764 6.6764 7.5433 7.5433 7.9740 7.9740 8.5656 8.5656 8.9258 8.9258 9.5524 9.5524 9.8373 9.8373 9.9530 9.9530 10.0388 10.0388 10.1030 10.1030 10.6773 10.6773 11.9581 11.9581 12.2442 12.2442 12.3484 12.3484 15.0895 15.0895 k = 0.2768 0.4795-0.0000 ( 1757 PWs) bands (ev): -0.1433 -0.1433 0.7166 0.7166 4.9503 4.9503 6.3777 6.3777 6.7137 6.7137 7.4784 7.4784 7.9917 7.9917 8.5336 8.5336 8.9177 8.9177 9.5517 9.5517 9.8563 9.8563 9.9430 9.9430 10.0363 10.0363 10.1047 10.1047 10.6699 10.6699 12.0546 12.0546 12.2881 12.2881 12.3776 12.3776 15.1372 15.1372 k = 0.2712 0.4697-0.0000 ( 1753 PWs) bands (ev): -0.2166 -0.2166 0.7451 0.7451 5.0144 5.0144 6.3853 6.3853 6.7516 6.7516 7.4089 7.4089 8.0106 8.0106 8.5010 8.5010 8.9086 8.9086 9.5518 9.5518 9.8759 9.8759 9.9323 9.9323 10.0336 10.0336 10.1059 10.1059 10.6707 10.6707 12.1519 12.1519 12.3362 12.3362 12.4083 12.4083 15.1899 15.1899 k = 0.2655 0.4599-0.0000 ( 1757 PWs) bands (ev): -0.2922 -0.2922 0.7725 0.7725 5.0840 5.0840 6.3950 6.3950 6.7897 6.7897 7.3351 7.3351 8.0304 8.0304 8.4685 8.4685 8.8986 8.8986 9.5528 9.5528 9.8924 9.8924 9.9237 9.9237 10.0309 10.0309 10.1071 10.1071 10.6787 10.6787 12.2496 12.2496 12.3880 12.3880 12.4407 12.4407 15.2476 15.2476 k = 0.2599 0.4501-0.0000 ( 1757 PWs) bands (ev): -0.3696 -0.3696 0.7988 0.7988 5.1590 5.1590 6.4068 6.4068 6.8278 6.8278 7.2578 7.2578 8.0512 8.0512 8.4364 8.4364 8.8878 8.8878 9.5550 9.5550 9.8920 9.8920 9.9312 9.9312 10.0286 10.0286 10.1087 10.1087 10.6928 10.6928 12.3475 12.3475 12.4431 12.4431 12.4748 12.4748 15.3104 15.3104 k = 0.2542 0.4404-0.0000 ( 1761 PWs) bands (ev): -0.4484 -0.4484 0.8239 0.8239 5.2391 5.2391 6.4207 6.4207 6.8656 6.8656 7.1776 7.1776 8.0731 8.0731 8.4052 8.4052 8.8760 8.8760 9.5581 9.5581 9.8781 9.8781 9.9508 9.9508 10.0272 10.0272 10.1110 10.1110 10.7119 10.7119 12.4441 12.4441 12.5019 12.5019 12.5114 12.5114 15.3784 15.3784 k = 0.2486 0.4306-0.0000 ( 1757 PWs) bands (ev): -0.5284 -0.5284 0.8479 0.8479 5.3240 5.3240 6.4366 6.4366 6.9024 6.9024 7.0955 7.0955 8.0961 8.0961 8.3752 8.3752 8.8636 8.8636 9.5627 9.5627 9.8607 9.8607 9.9718 9.9718 10.0278 10.0278 10.1147 10.1147 10.7349 10.7349 12.5328 12.5328 12.5502 12.5502 12.5706 12.5706 15.4515 15.4515 k = 0.2429 0.4208-0.0000 ( 1761 PWs) bands (ev): -0.6093 -0.6093 0.8704 0.8704 5.4133 5.4133 6.4544 6.4544 6.9353 6.9353 7.0147 7.0147 8.1200 8.1200 8.3467 8.3467 8.8503 8.8503 9.5684 9.5684 9.8418 9.8418 9.9898 9.9898 10.0320 10.0320 10.1200 10.1200 10.7611 10.7611 12.5864 12.5864 12.6095 12.6095 12.6576 12.6576 15.5298 15.5298 k = 0.2373 0.4110-0.0000 ( 1757 PWs) bands (ev): -0.6907 -0.6907 0.8917 0.8917 5.5068 5.5068 6.4740 6.4740 6.9138 6.9138 6.9862 6.9862 8.1449 8.1449 8.3200 8.3200 8.8366 8.8366 9.5755 9.5755 9.8220 9.8220 10.0012 10.0012 10.0424 10.0424 10.1283 10.1283 10.7895 10.7895 12.6293 12.6293 12.6732 12.6732 12.7541 12.7541 15.6134 15.6134 k = 0.2316 0.4012-0.0000 ( 1757 PWs) bands (ev): -0.7724 -0.7724 0.9114 0.9114 5.6041 5.6041 6.4949 6.4949 6.8318 6.8318 7.0166 7.0166 8.1707 8.1707 8.2954 8.2954 8.8224 8.8224 9.5840 9.5840 9.8017 9.8017 10.0064 10.0064 10.0566 10.0566 10.1412 10.1412 10.8195 10.8195 12.6738 12.6738 12.7358 12.7358 12.8525 12.8525 15.7023 15.7023 k = 0.2260 0.3914-0.0000 ( 1755 PWs) bands (ev): -0.8542 -0.8542 0.9298 0.9298 5.7049 5.7049 6.5161 6.5161 6.7468 6.7468 7.0497 7.0497 8.1973 8.1973 8.2730 8.2730 8.8079 8.8079 9.5940 9.5940 9.7810 9.7810 10.0090 10.0090 10.0696 10.0696 10.1601 10.1601 10.8507 10.8507 12.7205 12.7205 12.7981 12.7981 12.9511 12.9511 15.7965 15.7965 k = 0.2203 0.3816-0.0000 ( 1751 PWs) bands (ev): -0.9358 -0.9358 0.9466 0.9466 5.8089 5.8089 6.5336 6.5336 6.6662 6.6662 7.0821 7.0821 8.2244 8.2244 8.2537 8.2537 8.7932 8.7932 9.6054 9.6054 9.7603 9.7603 10.0107 10.0107 10.0795 10.0795 10.1852 10.1852 10.8825 10.8825 12.7696 12.7696 12.8598 12.8598 13.0492 13.0492 15.8960 15.8960 k = 0.2147 0.3719-0.0000 ( 1751 PWs) bands (ev): -1.0171 -1.0171 0.9619 0.9619 5.9157 5.9157 6.5229 6.5229 6.6153 6.6153 7.1132 7.1132 8.2340 8.2340 8.2550 8.2550 8.7785 8.7785 9.6184 9.6184 9.7396 9.7396 10.0121 10.0121 10.0867 10.0867 10.2152 10.2152 10.9145 10.9145 12.8211 12.8211 12.9208 12.9208 13.1465 13.1465 16.0009 16.0009 k = 0.2090 0.3621-0.0000 ( 1747 PWs) bands (ev): -1.0978 -1.0978 0.9757 0.9757 6.0247 6.0247 6.4569 6.4569 6.6215 6.6215 7.1428 7.1428 8.2203 8.2203 8.2836 8.2836 8.7639 8.7639 9.6330 9.6330 9.7189 9.7189 10.0138 10.0138 10.0921 10.0921 10.2490 10.2490 10.9466 10.9466 12.8750 12.8750 12.9806 12.9806 13.2427 13.2427 16.1111 16.1111 k = 0.2034 0.3523-0.0000 ( 1747 PWs) bands (ev): -1.1777 -1.1777 0.9880 0.9880 6.1350 6.1350 6.3752 6.3752 6.6460 6.6460 7.1707 7.1707 8.2087 8.2087 8.3134 8.3134 8.7496 8.7496 9.6494 9.6494 9.6984 9.6984 10.0156 10.0156 10.0964 10.0964 10.2857 10.2857 10.9783 10.9783 12.9312 12.9312 13.0389 13.0389 13.3374 13.3374 16.2266 16.2266 k = 0.1977 0.3425-0.0000 ( 1747 PWs) bands (ev): -1.2566 -1.2566 0.9987 0.9987 6.2366 6.2366 6.3013 6.3013 6.6750 6.6750 7.1969 7.1969 8.2001 8.2001 8.3440 8.3440 8.7357 8.7357 9.6672 9.6672 9.6783 9.6783 10.0177 10.0177 10.1000 10.1000 10.3250 10.3250 11.0095 11.0095 12.9898 12.9898 13.0955 13.0955 13.4303 13.4303 16.3474 16.3474 k = 0.1921 0.3327-0.0000 ( 1747 PWs) bands (ev): -1.3345 -1.3345 1.0080 1.0080 6.1959 6.1959 6.3708 6.3708 6.7058 6.7058 7.2212 7.2212 8.1946 8.1946 8.3753 8.3753 8.7224 8.7224 9.6579 9.6579 9.6877 9.6877 10.0201 10.0201 10.1031 10.1031 10.3665 10.3665 11.0400 11.0400 13.0507 13.0507 13.1501 13.1501 13.5211 13.5211 16.4733 16.4733 k = 0.1864 0.3229-0.0000 ( 1739 PWs) bands (ev): -1.4112 -1.4112 1.0159 1.0159 6.1130 6.1130 6.4841 6.4841 6.7378 6.7378 7.2437 7.2437 8.1924 8.1924 8.4073 8.4073 8.7099 8.7099 9.6382 9.6382 9.7098 9.7098 10.0230 10.0230 10.1061 10.1061 10.4105 10.4105 11.0697 11.0697 13.1135 13.1135 13.2026 13.2026 13.6094 13.6094 16.6044 16.6044 k = 0.1808 0.3131-0.0000 ( 1739 PWs) bands (ev): -1.4866 -1.4866 1.0223 1.0223 6.0296 6.0296 6.5995 6.5995 6.7703 6.7703 7.2643 7.2643 8.1932 8.1932 8.4397 8.4397 8.6983 8.6983 9.6187 9.6187 9.7339 9.7339 10.0262 10.0262 10.1089 10.1089 10.4566 10.4566 11.0986 11.0986 13.1781 13.1781 13.2531 13.2531 13.6950 13.6950 16.7405 16.7405 k = 0.1751 0.3034-0.0000 ( 1739 PWs) bands (ev): -1.5604 -1.5604 1.0274 1.0274 5.9472 5.9472 6.7151 6.7151 6.8031 6.8031 7.2828 7.2828 8.1975 8.1975 8.4727 8.4727 8.6876 8.6876 9.5995 9.5995 9.7605 9.7605 10.0299 10.0299 10.1115 10.1115 10.5048 10.5048 11.1263 11.1263 13.2433 13.2433 13.3020 13.3020 13.7773 13.7773 16.8816 16.8816 k = 0.1695 0.2936-0.0000 ( 1735 PWs) bands (ev): -1.6327 -1.6327 1.0313 1.0313 5.8662 5.8662 6.8293 6.8293 6.8366 6.8366 7.2995 7.2995 8.2052 8.2052 8.5063 8.5063 8.6782 8.6782 9.5808 9.5808 9.7896 9.7896 10.0343 10.0343 10.1141 10.1141 10.5552 10.5552 11.1530 11.1530 13.3068 13.3068 13.3517 13.3517 13.8562 13.8562 17.0275 17.0275 k = 0.1638 0.2838-0.0000 ( 1739 PWs) bands (ev): -1.7034 -1.7034 1.0339 1.0339 5.7869 5.7869 6.8678 6.8678 6.9439 6.9439 7.3144 7.3144 8.2161 8.2161 8.5401 8.5401 8.6700 8.6700 9.5623 9.5623 9.8211 9.8211 10.0394 10.0394 10.1165 10.1165 10.6078 10.6078 11.1785 11.1785 13.3621 13.3621 13.4082 13.4082 13.9312 13.9312 17.1781 17.1781 k = 0.1582 0.2740-0.0000 ( 1739 PWs) bands (ev): -1.7722 -1.7722 1.0354 1.0354 5.7095 5.7095 6.8994 6.8994 7.0553 7.0553 7.3276 7.3276 8.2302 8.2302 8.5741 8.5741 8.6634 8.6634 9.5443 9.5443 9.8551 9.8551 10.0459 10.0459 10.1191 10.1191 10.6626 10.6626 11.2029 11.2029 13.4064 13.4064 13.4743 13.4743 14.0020 14.0020 17.3333 17.3333 k = 0.1525 0.2642-0.0000 ( 1735 PWs) bands (ev): -1.8392 -1.8392 1.0358 1.0358 5.6340 5.6340 6.9302 6.9302 7.1634 7.1634 7.3399 7.3399 8.2475 8.2475 8.6084 8.6084 8.6584 8.6584 9.5268 9.5268 9.8909 9.8909 10.0546 10.0546 10.1217 10.1217 10.7198 10.7198 11.2262 11.2262 13.4436 13.4436 13.5456 13.5456 14.0684 14.0684 17.4930 17.4930 k = 0.1469 0.2544-0.0000 ( 1731 PWs) bands (ev): -1.9043 -1.9043 1.0352 1.0352 5.5607 5.5607 6.9600 6.9600 7.2648 7.2648 7.3534 7.3534 8.2677 8.2677 8.6426 8.6426 8.6556 8.6556 9.5099 9.5099 9.9272 9.9272 10.0670 10.0670 10.1246 10.1246 10.7793 10.7793 11.2483 11.2483 13.4766 13.4766 13.6192 13.6192 14.1299 14.1299 17.6568 17.6568 k = 0.1412 0.2446-0.0000 ( 1731 PWs) bands (ev): -1.9674 -1.9674 1.0338 1.0338 5.4895 5.4895 6.9886 6.9886 7.3348 7.3348 7.3924 7.3924 8.2908 8.2908 8.6534 8.6534 8.6778 8.6778 9.4932 9.4932 9.9610 9.9610 10.0859 10.0859 10.1286 10.1286 10.8411 10.8411 11.2693 11.2693 13.5062 13.5062 13.6940 13.6940 14.1865 14.1865 17.8246 17.8246 k = 0.1356 0.2349-0.0000 ( 1735 PWs) bands (ev): -2.0285 -2.0285 1.0315 1.0315 5.4206 5.4206 7.0159 7.0159 7.3517 7.3517 7.4778 7.4778 8.3162 8.3162 8.6542 8.6542 8.7120 8.7120 9.4771 9.4771 9.9882 9.9882 10.1107 10.1107 10.1386 10.1386 10.9052 10.9052 11.2892 11.2892 13.5332 13.5332 13.7692 13.7692 14.2379 14.2379 17.9950 17.9950 k = 0.1299 0.2251-0.0000 ( 1741 PWs) bands (ev): -2.0874 -2.0874 1.0285 1.0285 5.3541 5.3541 7.0418 7.0418 7.3580 7.3580 7.5665 7.5665 8.3440 8.3440 8.6570 8.6570 8.7461 8.7461 9.4615 9.4615 10.0071 10.0071 10.1240 10.1240 10.1740 10.1740 10.9715 10.9715 11.3079 11.3079 13.5579 13.5579 13.8442 13.8442 14.2840 14.2840 18.1190 18.1190 k = 0.1243 0.2153-0.0000 ( 1745 PWs) bands (ev): -2.1441 -2.1441 1.0250 1.0250 5.2900 5.2900 7.0663 7.0663 7.3616 7.3616 7.6501 7.6501 8.3737 8.3737 8.6619 8.6619 8.7802 8.7802 9.4465 9.4465 10.0198 10.0198 10.1284 10.1284 10.2305 10.2305 11.0400 11.0400 11.3257 11.3257 13.5808 13.5808 13.9186 13.9186 14.3250 14.3250 18.0477 18.0477 k = 0.1186 0.2055-0.0000 ( 1737 PWs) bands (ev): -2.1986 -2.1986 1.0208 1.0208 5.2285 5.2285 7.0893 7.0893 7.3637 7.3637 7.7272 7.7272 8.4051 8.4051 8.6692 8.6692 8.8141 8.8141 9.4322 9.4322 10.0290 10.0290 10.1314 10.1314 10.2986 10.2986 11.1104 11.1104 11.3426 11.3426 13.6025 13.6025 13.9918 13.9918 14.3607 14.3607 17.9595 17.9595 k = 0.1130 0.1957-0.0000 ( 1737 PWs) bands (ev): -2.2509 -2.2509 1.0162 1.0162 5.1694 5.1694 7.1110 7.1110 7.3643 7.3643 7.7970 7.7970 8.4377 8.4377 8.6785 8.6785 8.8474 8.8474 9.4185 9.4185 10.0361 10.0361 10.1340 10.1340 10.3757 10.3757 11.1825 11.1825 11.3585 11.3585 13.6233 13.6233 14.0632 14.0632 14.3914 14.3914 17.8651 17.8651 k = 0.1073 0.1859-0.0000 ( 1741 PWs) bands (ev): -2.3008 -2.3008 1.0113 1.0113 5.1130 5.1130 7.1312 7.1312 7.3638 7.3638 7.8593 7.8593 8.4711 8.4711 8.6898 8.6898 8.8800 8.8800 9.4053 9.4053 10.0419 10.0419 10.1364 10.1364 10.4605 10.4605 11.2557 11.2557 11.3740 11.3740 13.6440 13.6440 14.1320 14.1320 14.4174 14.4174 17.7657 17.7657 k = 0.1017 0.1761-0.0000 ( 1737 PWs) bands (ev): -2.3484 -2.3484 1.0061 1.0061 5.0592 5.0592 7.1500 7.1500 7.3626 7.3626 7.9142 7.9142 8.5050 8.5050 8.7028 8.7028 8.9119 8.9119 9.3929 9.3929 10.0471 10.0471 10.1387 10.1387 10.5526 10.5526 11.3282 11.3282 11.3906 11.3906 13.6653 13.6653 14.1977 14.1977 14.4392 14.4392 17.6616 17.6616 k = 0.0960 0.1664-0.0000 ( 1737 PWs) bands (ev): -2.3936 -2.3936 1.0006 1.0006 5.0081 5.0081 7.1675 7.1675 7.3604 7.3604 7.9618 7.9618 8.5390 8.5390 8.7171 8.7171 8.9430 8.9430 9.3814 9.3814 10.0516 10.0516 10.1410 10.1410 10.6510 10.6510 11.3843 11.3843 11.4237 11.4237 13.6877 13.6877 14.2592 14.2592 14.4573 14.4573 17.5529 17.5529 k = 0.0904 0.1566-0.0000 ( 1737 PWs) bands (ev): -2.4363 -2.4363 0.9951 0.9951 4.9598 4.9598 7.1837 7.1837 7.3577 7.3577 8.0027 8.0027 8.5728 8.5728 8.7325 8.7325 8.9730 8.9730 9.3707 9.3707 10.0558 10.0558 10.1433 10.1433 10.7550 10.7550 11.4047 11.4047 11.4920 11.4920 13.7120 13.7120 14.3154 14.3154 14.4728 14.4728 17.4395 17.4395 k = 0.0847 0.1468-0.0000 ( 1733 PWs) bands (ev): -2.4766 -2.4766 0.9895 0.9895 4.9143 4.9143 7.1987 7.1987 7.3546 7.3546 8.0374 8.0374 8.6059 8.6059 8.7483 8.7483 9.0019 9.0019 9.3609 9.3609 10.0596 10.0596 10.1456 10.1456 10.8638 10.8638 11.4174 11.4174 11.5674 11.5674 13.7390 13.7390 14.3643 14.3643 14.4875 14.4875 17.3214 17.3214 k = 0.0791 0.1370-0.0000 ( 1733 PWs) bands (ev): -2.5144 -2.5144 0.9839 0.9839 4.8715 4.8715 7.2125 7.2125 7.3511 7.3511 8.0667 8.0667 8.6382 8.6382 8.7643 8.7643 9.0292 9.0292 9.3520 9.3520 10.0631 10.0631 10.1478 10.1478 10.9764 10.9764 11.4281 11.4281 11.6432 11.6432 13.7696 13.7696 14.4029 14.4029 14.5043 14.5043 17.1986 17.1986 k = 0.0734 0.1272-0.0000 ( 1715 PWs) bands (ev): -2.5497 -2.5497 0.9785 0.9785 4.8316 4.8316 7.2253 7.2253 7.3476 7.3476 8.0913 8.0913 8.6694 8.6694 8.7802 8.7802 9.0550 9.0550 9.3442 9.3442 10.0664 10.0664 10.1502 10.1502 11.0918 11.0918 11.4378 11.4378 11.7182 11.7182 13.8046 13.8046 14.4283 14.4283 14.5262 14.5262 17.0712 17.0712 k = 0.0678 0.1174-0.0000 ( 1715 PWs) bands (ev): -2.5825 -2.5825 0.9731 0.9731 4.7945 4.7945 7.2368 7.2368 7.3439 7.3439 8.1118 8.1118 8.6990 8.6990 8.7953 8.7953 9.0788 9.0788 9.3375 9.3375 10.0694 10.0694 10.1524 10.1524 11.2084 11.2084 11.4465 11.4465 11.7915 11.7915 13.8447 13.8447 14.4414 14.4414 14.5522 14.5522 16.9395 16.9395 k = 0.0621 0.1076-0.0000 ( 1713 PWs) bands (ev): -2.6128 -2.6128 0.9680 0.9680 4.7604 4.7604 7.2472 7.2472 7.3403 7.3403 8.1288 8.1288 8.7269 8.7269 8.8096 8.8096 9.1005 9.1005 9.3319 9.3319 10.0720 10.0720 10.1545 10.1545 11.3247 11.3247 11.4546 11.4546 11.8625 11.8625 13.8907 13.8907 14.4466 14.4466 14.5782 14.5782 16.8037 16.8037 k = 0.0565 0.0979-0.0000 ( 1711 PWs) bands (ev): -2.6404 -2.6404 0.9632 0.9632 4.7291 4.7291 7.2565 7.2565 7.3368 7.3368 8.1430 8.1430 8.7530 8.7530 8.8228 8.8228 9.1200 9.1200 9.3277 9.3277 10.0745 10.0745 10.1566 10.1566 11.4361 11.4361 11.4651 11.4651 11.9305 11.9305 13.9431 13.9431 14.4472 14.4472 14.6010 14.6010 16.6647 16.6647 k = 0.0508 0.0881-0.0000 ( 1707 PWs) bands (ev): -2.6655 -2.6655 0.9586 0.9586 4.7007 4.7007 7.2646 7.2646 7.3337 7.3337 8.1546 8.1546 8.7769 8.7769 8.8349 8.8349 9.1371 9.1371 9.3249 9.3249 10.0767 10.0767 10.1586 10.1586 11.4658 11.4658 11.5530 11.5530 11.9953 11.9953 14.0024 14.0024 14.4454 14.4454 14.6190 14.6190 16.5231 16.5231 k = 0.0452 0.0783-0.0000 ( 1695 PWs) bands (ev): -2.6880 -2.6880 0.9545 0.9545 4.6754 4.6754 7.2716 7.2716 7.3310 7.3310 8.1642 8.1642 8.7989 8.7989 8.8458 8.8458 9.1517 9.1517 9.3237 9.3237 10.0787 10.0787 10.1605 10.1605 11.4721 11.4721 11.6577 11.6577 12.0566 12.0566 14.0685 14.0685 14.4422 14.4422 14.6318 14.6318 16.3801 16.3801 k = 0.0395 0.0685-0.0000 ( 1695 PWs) bands (ev): -2.7078 -2.7078 0.9507 0.9507 4.6529 4.6529 7.2772 7.2772 7.3288 7.3288 8.1721 8.1721 8.8181 8.8181 8.8555 8.8555 9.1636 9.1636 9.3235 9.3235 10.0805 10.0805 10.1623 10.1623 11.4771 11.4771 11.7548 11.7548 12.1144 12.1144 14.1410 14.1410 14.4385 14.4385 14.6393 14.6393 16.2371 16.2371 k = 0.0339 0.0587-0.0000 ( 1691 PWs) bands (ev): -2.7251 -2.7251 0.9473 0.9473 4.6334 4.6334 7.2817 7.2817 7.3274 7.3274 8.1785 8.1785 8.8348 8.8348 8.8641 8.8641 9.1731 9.1731 9.3244 9.3244 10.0820 10.0820 10.1640 10.1640 11.4813 11.4813 11.8413 11.8413 12.1690 12.1690 14.2189 14.2189 14.4350 14.4350 14.6423 14.6423 16.0959 16.0959 k = 0.0282 0.0489-0.0000 ( 1685 PWs) bands (ev): -2.7397 -2.7397 0.9444 0.9444 4.6169 4.6169 7.2851 7.2851 7.3266 7.3266 8.1836 8.1836 8.8487 8.8487 8.8717 8.8717 9.1804 9.1804 9.3260 9.3260 10.0834 10.0834 10.1655 10.1655 11.4848 11.4848 11.9151 11.9151 12.2201 12.2201 14.3000 14.3000 14.4325 14.4325 14.6418 14.6418 15.9588 15.9588 k = 0.0226 0.0391-0.0000 ( 1681 PWs) bands (ev): -2.7516 -2.7516 0.9420 0.9420 4.6034 4.6034 7.2873 7.2873 7.3263 7.3263 8.1877 8.1877 8.8596 8.8596 8.8782 8.8782 9.1857 9.1857 9.3281 9.3281 10.0845 10.0845 10.1668 10.1668 11.4876 11.4876 11.9746 11.9746 12.2668 12.2668 14.3777 14.3777 14.4346 14.4346 14.6395 14.6395 15.8292 15.8292 k = 0.0169 0.0294-0.0000 ( 1679 PWs) bands (ev): -2.7609 -2.7609 0.9401 0.9401 4.5929 4.5929 7.2886 7.2886 7.3263 7.3263 8.1907 8.1907 8.8677 8.8677 8.8838 8.8838 9.1894 9.1894 9.3302 9.3302 10.0854 10.0854 10.1679 10.1679 11.4898 11.4898 12.0195 12.0195 12.3072 12.3072 14.4154 14.4154 14.4722 14.4722 14.6382 14.6382 15.7119 15.7119 k = 0.0113 0.0196-0.0000 ( 1683 PWs) bands (ev): -2.7676 -2.7676 0.9388 0.9388 4.5853 4.5853 7.2893 7.2893 7.3265 7.3265 8.1928 8.1928 8.8730 8.8730 8.8881 8.8881 9.1918 9.1918 9.3319 9.3319 10.0860 10.0860 10.1686 10.1686 11.4914 11.4914 12.0506 12.0506 12.3388 12.3388 14.4184 14.4184 14.5298 14.5298 14.6424 14.6424 15.6144 15.6144 k = 0.0056 0.0098-0.0000 ( 1685 PWs) bands (ev): -2.7716 -2.7716 0.9380 0.9380 4.5808 4.5808 7.2897 7.2897 7.3267 7.3267 8.1940 8.1940 8.8759 8.8759 8.8909 8.8909 9.1931 9.1931 9.3330 9.3330 10.0863 10.0863 10.1690 10.1690 11.4923 11.4923 12.0687 12.0687 12.3591 12.3591 14.4185 14.4185 14.5632 14.5632 14.6556 14.6556 15.5477 15.5477 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): -2.7729 -2.7729 0.9377 0.9377 4.5793 4.5793 7.2898 7.2898 7.3268 7.3268 8.1944 8.1944 8.8769 8.8769 8.8919 8.8919 9.1937 9.1937 9.3336 9.3336 10.0864 10.0864 10.1691 10.1691 11.4927 11.4927 12.0746 12.0746 12.3660 12.3660 14.4184 14.4184 14.5720 14.5720 14.6642 14.6642 15.5235 15.5235 k = 0.0000 0.0000 0.0000 ( 1681 PWs) bands (ev): -2.7729 -2.7729 0.9377 0.9377 4.5793 4.5793 7.2898 7.2898 7.3268 7.3268 8.1944 8.1944 8.8769 8.8769 8.8919 8.8919 9.1937 9.1937 9.3336 9.3336 10.0864 10.0864 10.1691 10.1691 11.4927 11.4927 12.0746 12.0746 12.3660 12.3660 14.4184 14.4184 14.5720 14.5720 14.6642 14.6642 15.5235 15.5235 k = 0.0000 0.0000 0.0113 ( 1681 PWs) bands (ev): -2.7716 -2.7716 0.9315 0.9315 4.5872 4.5872 7.2907 7.2907 7.3276 7.3276 8.1951 8.1951 8.8773 8.8773 8.8925 8.8925 9.1922 9.1922 9.3316 9.3316 10.0845 10.0845 10.1671 10.1671 11.4909 11.4909 12.0784 12.0784 12.3695 12.3695 14.4097 14.4097 14.5714 14.5714 14.6638 14.6638 15.5263 15.5263 k = 0.0000 0.0000 0.0226 ( 1681 PWs) bands (ev): -2.7675 -2.7675 0.9133 0.9133 4.6105 4.6105 7.2934 7.2934 7.3302 7.3302 8.1971 8.1971 8.8786 8.8786 8.8942 8.8942 9.1878 9.1878 9.3256 9.3256 10.0787 10.0787 10.1609 10.1609 11.4856 11.4856 12.0896 12.0896 12.3800 12.3800 14.3837 14.3837 14.5697 14.5697 14.6624 14.6624 15.5346 15.5346 k = 0.0000 0.0000 0.0339 ( 1687 PWs) bands (ev): -2.7607 -2.7607 0.8833 0.8833 4.6488 4.6488 7.2979 7.2979 7.3346 7.3346 8.2002 8.2002 8.8809 8.8809 8.8971 8.8971 9.1807 9.1807 9.3156 9.3156 10.0688 10.0688 10.1506 10.1506 11.4769 11.4769 12.1081 12.1081 12.3973 12.3973 14.3411 14.3411 14.5669 14.5669 14.6601 14.6601 15.5484 15.5484 k = 0.0000 0.0000 0.0452 ( 1688 PWs) bands (ev): -2.7511 -2.7511 0.8425 0.8425 4.7014 4.7014 7.3041 7.3041 7.3407 7.3407 8.2048 8.2048 8.8838 8.8838 8.9011 8.9011 9.1707 9.1707 9.3016 9.3016 10.0560 10.0560 10.1369 10.1369 11.4648 11.4648 12.1335 12.1335 12.4211 12.4211 14.2829 14.2829 14.5630 14.5630 14.6569 14.6569 15.5676 15.5676 k = 0.0000 0.0000 0.0565 ( 1706 PWs) bands (ev): -2.7389 -2.7389 0.7918 0.7918 4.7670 4.7670 7.3120 7.3120 7.3483 7.3483 8.2107 8.2107 8.8872 8.8872 8.9060 8.9060 9.1578 9.1578 9.2835 9.2835 10.0402 10.0402 10.1199 10.1199 11.4490 11.4490 12.1654 12.1654 12.4510 12.4510 14.2104 14.2104 14.5579 14.5579 14.6527 14.6527 15.5923 15.5923 k = 0.0000 0.0000 0.0677 ( 1706 PWs) bands (ev): -2.7239 -2.7239 0.7322 0.7322 4.8449 4.8449 7.3219 7.3219 7.3578 7.3578 8.2179 8.2179 8.8913 8.8913 8.9122 8.9122 9.1427 9.1427 9.2618 9.2618 10.0219 10.0219 10.1000 10.1000 11.4306 11.4306 12.2031 12.2031 12.4866 12.4866 14.1249 14.1249 14.5516 14.5516 14.6475 14.6475 15.6222 15.6222 k = 0.0000 0.0000 0.0790 ( 1706 PWs) bands (ev): -2.7062 -2.7062 0.6648 0.6648 4.9337 4.9337 7.3334 7.3334 7.3690 7.3690 8.2261 8.2261 8.8957 8.8957 8.9195 8.9195 9.1254 9.1254 9.2364 9.2364 10.0014 10.0014 10.0775 10.0775 11.4094 11.4094 12.2461 12.2461 12.5275 12.5275 14.0278 14.0278 14.5441 14.5441 14.6413 14.6413 15.6572 15.6572 k = 0.0000 0.0000 0.0903 ( 1706 PWs) bands (ev): -2.6858 -2.6858 0.5907 0.5907 5.0323 5.0323 7.3468 7.3468 7.3819 7.3819 8.2353 8.2353 8.8999 8.8999 8.9278 8.9278 9.1065 9.1065 9.2074 9.2074 9.9793 9.9793 10.0529 10.0529 11.3856 11.3856 12.2937 12.2937 12.5731 12.5731 13.9209 13.9209 14.5352 14.5352 14.6340 14.6340 15.6972 15.6972 k = 0.0000 0.0000 0.1016 ( 1712 PWs) bands (ev): -2.6627 -2.6627 0.5111 0.5111 5.1395 5.1395 7.3617 7.3617 7.3964 7.3964 8.2456 8.2456 8.9029 8.9029 8.9370 8.9370 9.0866 9.0866 9.1750 9.1750 9.9560 9.9560 10.0267 10.0267 11.3595 11.3595 12.3453 12.3453 12.6229 12.6230 13.8054 13.8054 14.5251 14.5251 14.6256 14.6256 15.7421 15.7421 k = 0.0000 0.0000 0.1129 ( 1712 PWs) bands (ev): -2.6370 -2.6370 0.4267 0.4267 5.2543 5.2543 7.3785 7.3785 7.4126 7.4126 8.2564 8.2564 8.9039 8.9039 8.9475 8.9475 9.0674 9.0674 9.1394 9.1394 9.9315 9.9315 9.9989 9.9989 11.3313 11.3313 12.4002 12.4002 12.6766 12.6766 13.6829 13.6829 14.5136 14.5136 14.6160 14.6160 15.7918 15.7918 k = 0.0000 0.0000 0.1242 ( 1712 PWs) bands (ev): -2.6085 -2.6085 0.3386 0.3386 5.3756 5.3756 7.3971 7.3971 7.4306 7.4306 8.2678 8.2678 8.9007 8.9007 8.9591 8.9591 9.0509 9.0509 9.1009 9.1009 9.9063 9.9063 9.9701 9.9701 11.3014 11.3014 12.4575 12.4575 12.7334 12.7334 13.5549 13.5549 14.5007 14.5007 14.6052 14.6052 15.8460 15.8460 k = 0.0000 0.0000 0.1355 ( 1712 PWs) bands (ev): -2.5774 -2.5774 0.2474 0.2474 5.5026 5.5026 7.4173 7.4173 7.4501 7.4501 8.2795 8.2795 8.8908 8.8908 8.9717 8.9717 9.0397 9.0397 9.0597 9.0597 9.8806 9.8806 9.9404 9.9404 11.2701 11.2701 12.5161 12.5161 12.7931 12.7931 13.4232 13.4232 14.4862 14.4862 14.5931 14.5931 15.9046 15.9046 k = 0.0000 0.0000 0.1468 ( 1730 PWs) bands (ev): -2.5436 -2.5436 0.1539 0.1539 5.6344 5.6344 7.4391 7.4391 7.4711 7.4711 8.2907 8.2907 8.8727 8.8727 8.9851 8.9851 9.0161 9.0161 9.0354 9.0354 9.8543 9.8543 9.9101 9.9101 11.2377 11.2377 12.5743 12.5743 12.8552 12.8552 13.2901 13.2901 14.4702 14.4702 14.5795 14.5795 15.9675 15.9675 k = 0.0000 0.0000 0.1581 ( 1730 PWs) bands (ev): -2.5072 -2.5072 0.0587 0.0587 5.7702 5.7702 7.4628 7.4628 7.4939 7.4939 8.3025 8.3025 8.8469 8.8469 8.9704 8.9704 8.9997 8.9997 9.0377 9.0377 9.8279 9.8279 9.8795 9.8795 11.2047 11.2047 12.6286 12.6286 12.9192 12.9192 13.1597 13.1597 14.4525 14.4525 14.5646 14.5646 16.0346 16.0346 k = 0.0000 0.0000 0.1694 ( 1730 PWs) bands (ev): -2.4681 -2.4681 -0.0377 -0.0377 5.9092 5.9092 7.4881 7.4881 7.5183 7.5183 8.3138 8.3138 8.8151 8.8151 8.9228 8.9228 9.0152 9.0152 9.0451 9.0451 9.8013 9.8013 9.8488 9.8488 11.1714 11.1714 12.6690 12.6690 12.9848 12.9848 13.0424 13.0424 14.4331 14.4331 14.5480 14.5480 16.1056 16.1056 k = 0.0000 0.0000 0.1806 ( 1742 PWs) bands (ev): -2.4264 -2.4264 -0.1349 -0.1349 6.0508 6.0508 7.5149 7.5149 7.5441 7.5441 8.3243 8.3243 8.7788 8.7788 8.8735 8.8735 9.0314 9.0314 9.0558 9.0558 9.7745 9.7745 9.8179 9.8179 11.1382 11.1382 12.6679 12.6679 12.9664 12.9664 13.0517 13.0517 14.4119 14.4119 14.5299 14.5299 16.1804 16.1804 k = 0.0000 0.0000 0.1919 ( 1742 PWs) bands (ev): -2.3821 -2.3821 -0.2325 -0.2325 6.1942 6.1942 7.5434 7.5434 7.5716 7.5716 8.3336 8.3336 8.7396 8.7396 8.8231 8.8231 9.0488 9.0488 9.0693 9.0693 9.7476 9.7476 9.7871 9.7871 11.1057 11.1057 12.5957 12.5957 12.9620 12.9620 13.1194 13.1194 14.3889 14.3889 14.5100 14.5100 16.2589 16.2589 k = 0.0000 0.0000 0.2032 ( 1742 PWs) bands (ev): -2.3352 -2.3352 -0.3300 -0.3300 6.3388 6.3388 7.5736 7.5736 7.6006 7.6006 8.3413 8.3413 8.6981 8.6981 8.7716 8.7716 9.0670 9.0670 9.0847 9.0847 9.7206 9.7206 9.7563 9.7563 11.0742 11.0742 12.4786 12.4786 13.0033 13.0033 13.1877 13.1877 14.3639 14.3639 14.4884 14.4884 16.3410 16.3410 k = 0.0000 0.0000 0.2145 ( 1742 PWs) bands (ev): -2.2857 -2.2857 -0.4273 -0.4273 6.4839 6.4839 7.6053 7.6053 7.6310 7.6310 8.3468 8.3468 8.6547 8.6547 8.7194 8.7194 9.0860 9.0860 9.1017 9.1017 9.6936 9.6936 9.7257 9.7257 11.0443 11.0443 12.3463 12.3463 13.0613 13.0613 13.2562 13.2562 14.3368 14.3368 14.4648 14.4648 16.4265 16.4265 k = 0.0000 0.0000 0.2258 ( 1742 PWs) bands (ev): -2.2337 -2.2337 -0.5240 -0.5240 6.6288 6.6288 7.6386 7.6386 7.6629 7.6629 8.3496 8.3496 8.6100 8.6100 8.6665 8.6665 9.1058 9.1058 9.1200 9.1200 9.6664 9.6664 9.6952 9.6952 11.0167 11.0167 12.2100 12.2100 13.1256 13.1256 13.3247 13.3247 14.3076 14.3076 14.4392 14.4392 16.5151 16.5151 k = 0.0000 0.0000 0.2371 ( 1742 PWs) bands (ev): -2.1792 -2.1792 -0.6200 -0.6200 6.7728 6.7728 7.6734 7.6734 7.6962 7.6962 8.3489 8.3489 8.5643 8.5643 8.6133 8.6133 9.1265 9.1265 9.1395 9.1395 9.6392 9.6392 9.6650 9.6650 10.9918 10.9918 12.0738 12.0738 13.1926 13.1926 13.3929 13.3929 14.2762 14.2762 14.4116 14.4116 16.6069 16.6069 k = 0.0000 0.0000 0.2484 ( 1742 PWs) bands (ev): -2.1222 -2.1222 -0.7149 -0.7149 6.9151 6.9151 7.7097 7.7097 7.7309 7.7309 8.3441 8.3441 8.5177 8.5177 8.5598 8.5598 9.1478 9.1478 9.1599 9.1599 9.6119 9.6119 9.6349 9.6349 10.9704 10.9704 11.9402 11.9402 13.2605 13.2605 13.4605 13.4605 14.2426 14.2426 14.3818 14.3818 16.7015 16.7015 k = 0.0000 0.0000 0.2597 ( 1742 PWs) bands (ev): -2.0627 -2.0627 -0.8087 -0.8087 7.0550 7.0550 7.7475 7.7475 7.7669 7.7669 8.3343 8.3343 8.4707 8.4707 8.5063 8.5063 9.1699 9.1699 9.1813 9.1813 9.5845 9.5845 9.6052 9.6052 10.9531 10.9531 11.8109 11.8109 13.3286 13.3286 13.5273 13.5273 14.2067 14.2067 14.3498 14.3498 16.7989 16.7989 k = 0.0000 0.0000 0.2710 ( 1742 PWs) bands (ev): -2.0007 -2.0007 -0.9012 -0.9012 7.1915 7.1915 7.7866 7.7866 7.8041 7.8041 8.3188 8.3188 8.4233 8.4233 8.4529 8.4529 9.1926 9.1926 9.2035 9.2035 9.5571 9.5571 9.5756 9.5756 10.9409 10.9409 11.6871 11.6871 13.3963 13.3963 13.5931 13.5931 14.1684 14.1684 14.3155 14.3155 16.8988 16.8988 k = 0.0000 0.0000 0.2823 ( 1742 PWs) bands (ev): -1.9364 -1.9364 -0.9922 -0.9922 7.3237 7.3237 7.8271 7.8271 7.8426 7.8426 8.2966 8.2966 8.3758 8.3758 8.3996 8.3996 9.2159 9.2159 9.2265 9.2265 9.5298 9.5298 9.5464 9.5464 10.9345 10.9345 11.5702 11.5702 13.4632 13.4632 13.6576 13.6576 14.1277 14.1277 14.2788 14.2788 17.0010 17.0010 k = 0.0000 0.0000 0.2935 ( 1742 PWs) bands (ev): -1.8696 -1.8696 -1.0817 -1.0817 7.4508 7.4508 7.8689 7.8689 7.8823 7.8823 8.2669 8.2669 8.3283 8.3283 8.3468 8.3468 9.2399 9.2399 9.2502 9.2502 9.5024 9.5024 9.5174 9.5174 10.9346 10.9346 11.4613 11.4613 13.5289 13.5289 13.7206 13.7206 14.0846 14.0846 14.2397 14.2397 17.1052 17.1052 k = 0.0000 0.0000 0.3048 ( 1736 PWs) bands (ev): -1.8005 -1.8005 -1.1694 -1.1694 7.5718 7.5718 7.9121 7.9121 7.9232 7.9232 8.2286 8.2286 8.2811 8.2811 8.2946 8.2946 9.2646 9.2646 9.2747 9.2747 9.4751 9.4751 9.4888 9.4888 10.9424 10.9424 11.3613 11.3613 13.5933 13.5933 13.7820 13.7820 14.0391 14.0391 14.1983 14.1983 17.2111 17.2111 k = 0.0000 0.0000 0.3161 ( 1742 PWs) bands (ev): -1.7292 -1.7292 -1.2554 -1.2554 7.6857 7.6857 7.9563 7.9563 7.9650 7.9650 8.1808 8.1808 8.2341 8.2341 8.2433 8.2433 9.2896 9.2896 9.2997 9.2997 9.4477 9.4477 9.4603 9.4603 10.9586 10.9586 11.2713 11.2713 13.6561 13.6561 13.8416 13.8416 13.9912 13.9912 14.1543 14.1543 17.3184 17.3184 k = 0.0000 0.0000 0.3274 ( 1730 PWs) bands (ev): -1.6555 -1.6555 -1.3394 -1.3394 7.7917 7.7917 8.0018 8.0018 8.0079 8.0079 8.1230 8.1230 8.1876 8.1876 8.1932 8.1932 9.3152 9.3152 9.3253 9.3253 9.4209 9.4209 9.4327 9.4327 10.9842 10.9842 11.1919 11.1919 13.7172 13.7172 13.8993 13.8993 13.9409 13.9409 14.1080 14.1080 17.4267 17.4267 k = 0.0000 0.0000 0.3387 ( 1736 PWs) bands (ev): -1.5797 -1.5797 -1.4216 -1.4216 7.8888 7.8888 8.0483 8.0483 8.0517 8.0517 8.0547 8.0547 8.1416 8.1416 8.1441 8.1441 9.3411 9.3411 9.3514 9.3514 9.3940 9.3940 9.4051 9.4051 11.0198 11.0198 11.1234 11.1234 13.7763 13.7763 13.8883 13.8883 13.9548 13.9548 14.0593 14.0593 17.5355 17.5355 k = 0.0000 0.0000 0.3500 ( 1736 PWs) bands (ev): -1.5017 -1.5017 -1.5017 -1.5017 7.9767 7.9767 7.9767 7.9767 8.0957 8.0957 8.0957 8.0957 8.0963 8.0963 8.0963 8.0963 9.3674 9.3674 9.3674 9.3674 9.3781 9.3781 9.3781 9.3781 11.0661 11.0661 11.0661 11.0661 13.8334 13.8334 13.8334 13.8334 14.0082 14.0082 14.0082 14.0082 17.6443 17.6443 k = 0.0000 0.0000 0.3500 ( 1736 PWs) bands (ev): -1.5017 -1.5017 -1.5017 -1.5017 7.9767 7.9767 7.9767 7.9767 8.0957 8.0957 8.0957 8.0957 8.0963 8.0963 8.0963 8.0963 9.3674 9.3674 9.3674 9.3674 9.3781 9.3781 9.3781 9.3781 11.0661 11.0661 11.0661 11.0661 13.8334 13.8334 13.8334 13.8334 14.0082 14.0082 14.0082 14.0082 17.6443 17.6443 k = 0.0098 0.0057 0.3500 ( 1736 PWs) bands (ev): -1.5005 -1.5005 -1.5005 -1.5005 7.9682 7.9682 7.9682 7.9682 8.0953 8.0953 8.0953 8.0953 8.1029 8.1029 8.1029 8.1029 9.3667 9.3667 9.3667 9.3667 9.3786 9.3786 9.3786 9.3786 11.0678 11.0678 11.0678 11.0678 13.8280 13.8280 13.8280 13.8280 14.0025 14.0025 14.0025 14.0025 17.6524 17.6524 k = 0.0196 0.0113 0.3500 ( 1734 PWs) bands (ev): -1.4970 -1.4970 -1.4970 -1.4970 7.9463 7.9463 7.9463 7.9463 8.0951 8.0951 8.0951 8.0951 8.1179 8.1179 8.1179 8.1179 9.3648 9.3648 9.3648 9.3648 9.3798 9.3798 9.3798 9.3798 11.0728 11.0728 11.0728 11.0728 13.8115 13.8115 13.8115 13.8115 13.9863 13.9863 13.9863 13.9863 17.6765 17.6765 k = 0.0294 0.0170 0.3500 ( 1736 PWs) bands (ev): -1.4912 -1.4912 -1.4912 -1.4912 7.9163 7.9163 7.9163 7.9163 8.0949 8.0949 8.0949 8.0949 8.1364 8.1364 8.1364 8.1364 9.3622 9.3622 9.3622 9.3622 9.3813 9.3813 9.3813 9.3813 11.0812 11.0812 11.0812 11.0812 13.7827 13.7827 13.7827 13.7827 13.9615 13.9615 13.9615 13.9615 17.7150 17.7150 k = 0.0392 0.0226 0.3500 ( 1736 PWs) bands (ev): -1.4831 -1.4831 -1.4831 -1.4831 7.8809 7.8809 7.8809 7.8809 8.0945 8.0945 8.0945 8.0945 8.1559 8.1559 8.1559 8.1559 9.3590 9.3590 9.3590 9.3590 9.3830 9.3830 9.3830 9.3830 11.0928 11.0928 11.0928 11.0928 13.7404 13.7404 13.7404 13.7404 13.9309 13.9309 13.9309 13.9309 17.7654 17.7654 k = 0.0490 0.0283 0.3500 ( 1732 PWs) bands (ev): -1.4727 -1.4727 -1.4727 -1.4727 7.8415 7.8415 7.8415 7.8415 8.0942 8.0942 8.0942 8.0942 8.1750 8.1750 8.1750 8.1750 9.3554 9.3554 9.3554 9.3554 9.3849 9.3849 9.3849 9.3849 11.1073 11.1073 11.1073 11.1073 13.6840 13.6840 13.6840 13.6840 13.8969 13.8969 13.8969 13.8969 17.8240 17.8240 k = 0.0588 0.0340 0.3500 ( 1732 PWs) bands (ev): -1.4601 -1.4601 -1.4601 -1.4601 7.7985 7.7985 7.7985 7.7985 8.0936 8.0936 8.0936 8.0936 8.1934 8.1934 8.1934 8.1934 9.3513 9.3513 9.3513 9.3513 9.3868 9.3868 9.3868 9.3868 11.1246 11.1246 11.1246 11.1246 13.6144 13.6144 13.6144 13.6144 13.8608 13.8608 13.8608 13.8608 17.8852 17.8852 k = 0.0686 0.0396 0.3500 ( 1732 PWs) bands (ev): -1.4451 -1.4451 -1.4451 -1.4451 7.7521 7.7521 7.7521 7.7521 8.0929 8.0929 8.0929 8.0929 8.2109 8.2109 8.2109 8.2109 9.3467 9.3467 9.3467 9.3467 9.3888 9.3888 9.3888 9.3888 11.1444 11.1444 11.1444 11.1444 13.5335 13.5335 13.5335 13.5335 13.8228 13.8228 13.8228 13.8228 17.9410 17.9410 k = 0.0784 0.0453 0.3500 ( 1740 PWs) bands (ev): -1.4279 -1.4279 -1.4279 -1.4279 7.7026 7.7026 7.7026 7.7026 8.0919 8.0919 8.0919 8.0919 8.2275 8.2275 8.2275 8.2275 9.3417 9.3417 9.3417 9.3417 9.3909 9.3909 9.3909 9.3909 11.1664 11.1664 11.1664 11.1664 13.4434 13.4434 13.4434 13.4434 13.7827 13.7827 13.7827 13.7827 17.9809 17.9809 k = 0.0882 0.0509 0.3500 ( 1740 PWs) bands (ev): -1.4085 -1.4085 -1.4085 -1.4085 7.6501 7.6501 7.6501 7.6501 8.0910 8.0910 8.0910 8.0910 8.2433 8.2433 8.2433 8.2433 9.3363 9.3363 9.3363 9.3363 9.3932 9.3932 9.3932 9.3932 11.1901 11.1901 11.1901 11.1901 13.3467 13.3467 13.3467 13.3467 13.7406 13.7406 13.7406 13.7406 17.9951 17.9951 k = 0.0980 0.0566 0.3500 ( 1744 PWs) bands (ev): -1.3868 -1.3868 -1.3868 -1.3868 7.5946 7.5946 7.5946 7.5946 8.0898 8.0898 8.0898 8.0898 8.2582 8.2582 8.2582 8.2582 9.3304 9.3304 9.3304 9.3304 9.3956 9.3956 9.3956 9.3956 11.2151 11.2151 11.2151 11.2151 13.2452 13.2452 13.2452 13.2452 13.6962 13.6962 13.6962 13.6962 17.9807 17.9807 k = 0.1078 0.0623 0.3500 ( 1740 PWs) bands (ev): -1.3630 -1.3630 -1.3630 -1.3630 7.5363 7.5363 7.5363 7.5363 8.0886 8.0886 8.0886 8.0886 8.2723 8.2723 8.2723 8.2723 9.3242 9.3242 9.3242 9.3242 9.3985 9.3985 9.3985 9.3985 11.2407 11.2407 11.2407 11.2407 13.1411 13.1411 13.1411 13.1411 13.6497 13.6497 13.6497 13.6497 17.9427 17.9427 k = 0.1176 0.0679 0.3500 ( 1736 PWs) bands (ev): -1.3370 -1.3370 -1.3370 -1.3370 7.4751 7.4751 7.4751 7.4751 8.0873 8.0873 8.0873 8.0873 8.2858 8.2858 8.2858 8.2858 9.3175 9.3175 9.3175 9.3175 9.4017 9.4017 9.4017 9.4017 11.2664 11.2664 11.2664 11.2664 13.0361 13.0361 13.0361 13.0361 13.6012 13.6012 13.6012 13.6012 17.8889 17.8889 k = 0.1275 0.0736 0.3500 ( 1734 PWs) bands (ev): -1.3088 -1.3088 -1.3088 -1.3088 7.4113 7.4113 7.4113 7.4113 8.0856 8.0856 8.0856 8.0856 8.2986 8.2986 8.2986 8.2986 9.3105 9.3105 9.3105 9.3105 9.4051 9.4051 9.4051 9.4051 11.2911 11.2911 11.2911 11.2911 12.9321 12.9321 12.9321 12.9321 13.5510 13.5510 13.5510 13.5510 17.8258 17.8258 k = 0.1373 0.0792 0.3500 ( 1734 PWs) bands (ev): -1.2786 -1.2786 -1.2786 -1.2786 7.3448 7.3448 7.3448 7.3448 8.0838 8.0838 8.0838 8.0838 8.3108 8.3108 8.3108 8.3108 9.3030 9.3030 9.3030 9.3030 9.4090 9.4090 9.4090 9.4090 11.3139 11.3139 11.3139 11.3139 12.8310 12.8310 12.8310 12.8310 13.4992 13.4992 13.4992 13.4992 17.7575 17.7575 k = 0.1471 0.0849 0.3500 ( 1738 PWs) bands (ev): -1.2464 -1.2464 -1.2464 -1.2464 7.2758 7.2758 7.2758 7.2758 8.0817 8.0817 8.0817 8.0817 8.3223 8.3223 8.3223 8.3223 9.2953 9.2953 9.2953 9.2953 9.4132 9.4132 9.4132 9.4132 11.3333 11.3333 11.3333 11.3333 12.7346 12.7346 12.7346 12.7346 13.4461 13.4461 13.4461 13.4461 17.6869 17.6869 k = 0.1569 0.0906 0.3500 ( 1742 PWs) bands (ev): -1.2121 -1.2121 -1.2121 -1.2121 7.2044 7.2044 7.2044 7.2044 8.0794 8.0794 8.0794 8.0794 8.3331 8.3331 8.3331 8.3331 9.2873 9.2873 9.2873 9.2873 9.4178 9.4178 9.4178 9.4178 11.3478 11.3478 11.3478 11.3478 12.6453 12.6453 12.6453 12.6453 13.3920 13.3920 13.3920 13.3920 17.6157 17.6157 k = 0.1667 0.0962 0.3500 ( 1742 PWs) bands (ev): -1.1760 -1.1760 -1.1760 -1.1760 7.1307 7.1307 7.1307 7.1307 8.0769 8.0769 8.0769 8.0769 8.3434 8.3434 8.3434 8.3434 9.2791 9.2791 9.2791 9.2791 9.4230 9.4230 9.4230 9.4230 11.3556 11.3556 11.3556 11.3556 12.5653 12.5653 12.5653 12.5653 13.3370 13.3370 13.3370 13.3370 17.5451 17.5451 k = 0.1765 0.1019 0.3500 ( 1744 PWs) bands (ev): -1.1379 -1.1379 -1.1379 -1.1379 7.0547 7.0547 7.0547 7.0547 8.0742 8.0742 8.0742 8.0742 8.3530 8.3530 8.3530 8.3530 9.2708 9.2708 9.2708 9.2708 9.4287 9.4287 9.4287 9.4287 11.3544 11.3544 11.3544 11.3544 12.4971 12.4971 12.4971 12.4971 13.2814 13.2814 13.2814 13.2814 17.4757 17.4757 k = 0.1863 0.1075 0.3500 ( 1744 PWs) bands (ev): -1.0980 -1.0980 -1.0980 -1.0980 6.9766 6.9766 6.9766 6.9766 8.0713 8.0713 8.0713 8.0713 8.3619 8.3619 8.3619 8.3619 9.2625 9.2625 9.2625 9.2625 9.4349 9.4349 9.4349 9.4349 11.3426 11.3426 11.3426 11.3426 12.4428 12.4428 12.4428 12.4428 13.2254 13.2254 13.2254 13.2254 17.4082 17.4082 k = 0.1961 0.1132 0.3500 ( 1740 PWs) bands (ev): -1.0563 -1.0563 -1.0563 -1.0563 6.8966 6.8966 6.8966 6.8966 8.0682 8.0682 8.0682 8.0682 8.3701 8.3701 8.3701 8.3701 9.2544 9.2544 9.2544 9.2544 9.4416 9.4416 9.4416 9.4416 11.3189 11.3189 11.3189 11.3189 12.4039 12.4039 12.4039 12.4039 13.1692 13.1692 13.1692 13.1692 17.3428 17.3428 k = 0.2059 0.1189 0.3500 ( 1744 PWs) bands (ev): -1.0129 -1.0129 -1.0129 -1.0129 6.8146 6.8146 6.8146 6.8146 8.0648 8.0648 8.0648 8.0648 8.3775 8.3775 8.3775 8.3775 9.2463 9.2463 9.2463 9.2463 9.4489 9.4489 9.4489 9.4489 11.2830 11.2830 11.2830 11.2830 12.3808 12.3808 12.3808 12.3808 13.1130 13.1130 13.1130 13.1130 17.2799 17.2799 k = 0.2157 0.1245 0.3500 ( 1744 PWs) bands (ev): -0.9679 -0.9679 -0.9679 -0.9679 6.7310 6.7310 6.7310 6.7310 8.0612 8.0612 8.0612 8.0612 8.3840 8.3840 8.3840 8.3840 9.2387 9.2387 9.2387 9.2387 9.4568 9.4568 9.4568 9.4568 11.2360 11.2360 11.2360 11.2360 12.3727 12.3727 12.3727 12.3727 13.0570 13.0570 13.0570 13.0570 17.2197 17.2197 k = 0.2255 0.1302 0.3500 ( 1740 PWs) bands (ev): -0.9214 -0.9214 -0.9214 -0.9214 6.6458 6.6458 6.6458 6.6458 8.0573 8.0573 8.0573 8.0573 8.3896 8.3896 8.3896 8.3896 9.2315 9.2315 9.2315 9.2315 9.4652 9.4652 9.4652 9.4652 11.1798 11.1798 11.1798 11.1798 12.3778 12.3778 12.3778 12.3778 13.0014 13.0014 13.0014 13.0014 17.1622 17.1622 k = 0.2353 0.1358 0.3500 ( 1742 PWs) bands (ev): -0.8735 -0.8735 -0.8735 -0.8735 6.5592 6.5592 6.5592 6.5592 8.0533 8.0533 8.0533 8.0533 8.3940 8.3940 8.3940 8.3940 9.2248 9.2248 9.2248 9.2248 9.4741 9.4741 9.4741 9.4741 11.1166 11.1166 11.1166 11.1166 12.3938 12.3938 12.3938 12.3938 12.9464 12.9464 12.9464 12.9464 17.1076 17.1076 k = 0.2451 0.1415 0.3500 ( 1742 PWs) bands (ev): -0.8243 -0.8243 -0.8243 -0.8243 6.4714 6.4714 6.4714 6.4714 8.0491 8.0491 8.0491 8.0491 8.3975 8.3975 8.3975 8.3975 9.2189 9.2189 9.2189 9.2189 9.4836 9.4836 9.4836 9.4836 11.0485 11.0485 11.0485 11.0485 12.4186 12.4186 12.4186 12.4186 12.8921 12.8921 12.8921 12.8921 17.0560 17.0560 k = 0.2549 0.1472 0.3500 ( 1738 PWs) bands (ev): -0.7738 -0.7738 -0.7738 -0.7738 6.3826 6.3826 6.3826 6.3826 8.0447 8.0447 8.0447 8.0447 8.3998 8.3998 8.3998 8.3998 9.2139 9.2139 9.2139 9.2139 9.4936 9.4936 9.4936 9.4936 10.9775 10.9775 10.9775 10.9775 12.4500 12.4500 12.4500 12.4500 12.8390 12.8390 12.8390 12.8390 17.0074 17.0074 k = 0.2647 0.1528 0.3500 ( 1738 PWs) bands (ev): -0.7223 -0.7223 -0.7223 -0.7223 6.2930 6.2930 6.2930 6.2930 8.0401 8.0401 8.0401 8.0401 8.4009 8.4009 8.4009 8.4009 9.2097 9.2097 9.2097 9.2097 9.5040 9.5040 9.5040 9.5040 10.9052 10.9052 10.9052 10.9052 12.4860 12.4860 12.4860 12.4860 12.7874 12.7874 12.7874 12.7874 16.9618 16.9618 k = 0.2745 0.1585 0.3500 ( 1734 PWs) bands (ev): -0.6698 -0.6698 -0.6698 -0.6698 6.2028 6.2028 6.2028 6.2028 8.0355 8.0355 8.0355 8.0355 8.4007 8.4007 8.4007 8.4007 9.2068 9.2068 9.2068 9.2068 9.5148 9.5148 9.5148 9.5148 10.8328 10.8328 10.8328 10.8328 12.5244 12.5244 12.5244 12.5244 12.7385 12.7385 12.7385 12.7385 16.9194 16.9194 k = 0.2843 0.1641 0.3500 ( 1738 PWs) bands (ev): -0.6166 -0.6166 -0.6166 -0.6166 6.1123 6.1123 6.1123 6.1123 8.0306 8.0306 8.0306 8.0306 8.3992 8.3992 8.3992 8.3992 9.2050 9.2050 9.2050 9.2050 9.5260 9.5260 9.5260 9.5260 10.7610 10.7610 10.7610 10.7610 12.5605 12.5605 12.5605 12.5605 12.6958 12.6958 12.6958 12.6958 16.8800 16.8800 k = 0.2941 0.1698 0.3500 ( 1742 PWs) bands (ev): -0.5627 -0.5627 -0.5627 -0.5627 6.0217 6.0217 6.0217 6.0217 8.0258 8.0258 8.0258 8.0258 8.3964 8.3964 8.3964 8.3964 9.2044 9.2044 9.2044 9.2044 9.5376 9.5376 9.5376 9.5376 10.6908 10.6908 10.6908 10.6908 12.5783 12.5783 12.5783 12.5783 12.6749 12.6749 12.6749 12.6749 16.8438 16.8438 k = 0.3039 0.1755 0.3500 ( 1746 PWs) bands (ev): -0.5084 -0.5084 -0.5084 -0.5084 5.9313 5.9313 5.9313 5.9313 8.0208 8.0208 8.0208 8.0208 8.3924 8.3924 8.3924 8.3924 9.2052 9.2052 9.2052 9.2052 9.5494 9.5494 9.5494 9.5494 10.6225 10.6225 10.6225 10.6225 12.5569 12.5569 12.5569 12.5569 12.6959 12.6959 12.6959 12.6959 16.8106 16.8106 k = 0.3137 0.1811 0.3500 ( 1750 PWs) bands (ev): -0.4538 -0.4538 -0.4538 -0.4538 5.8414 5.8414 5.8414 5.8414 8.0159 8.0159 8.0159 8.0159 8.3872 8.3872 8.3872 8.3872 9.2074 9.2074 9.2074 9.2074 9.5614 9.5614 9.5614 9.5614 10.5565 10.5565 10.5565 10.5565 12.5177 12.5177 12.5177 12.5177 12.7370 12.7370 12.7370 12.7370 16.7806 16.7806 k = 0.3235 0.1868 0.3500 ( 1758 PWs) bands (ev): -0.3992 -0.3992 -0.3992 -0.3992 5.7524 5.7524 5.7524 5.7524 8.0108 8.0108 8.0108 8.0108 8.3809 8.3809 8.3809 8.3809 9.2110 9.2110 9.2110 9.2110 9.5735 9.5735 9.5735 9.5735 10.4931 10.4931 10.4931 10.4931 12.4751 12.4751 12.4751 12.4751 12.7832 12.7832 12.7832 12.7832 16.7537 16.7537 k = 0.3333 0.1925 0.3500 ( 1758 PWs) bands (ev): -0.3447 -0.3447 -0.3447 -0.3447 5.6647 5.6647 5.6647 5.6647 8.0060 8.0060 8.0060 8.0060 8.3736 8.3736 8.3736 8.3736 9.2160 9.2160 9.2160 9.2160 9.5858 9.5858 9.5858 9.5858 10.4323 10.4323 10.4323 10.4323 12.4325 12.4325 12.4325 12.4325 12.8310 12.8310 12.8310 12.8310 16.7298 16.7298 k = 0.3431 0.1981 0.3500 ( 1758 PWs) bands (ev): -0.2908 -0.2908 -0.2908 -0.2908 5.5785 5.5785 5.5785 5.5785 8.0012 8.0012 8.0012 8.0012 8.3656 8.3656 8.3656 8.3656 9.2223 9.2223 9.2223 9.2223 9.5981 9.5981 9.5981 9.5981 10.3744 10.3744 10.3744 10.3744 12.3910 12.3910 12.3910 12.3910 12.8790 12.8790 12.8790 12.8790 16.7090 16.7090 k = 0.3529 0.2038 0.3500 ( 1762 PWs) bands (ev): -0.2375 -0.2375 -0.2375 -0.2375 5.4942 5.4942 5.4942 5.4942 7.9964 7.9964 7.9964 7.9964 8.3568 8.3568 8.3568 8.3568 9.2299 9.2299 9.2299 9.2299 9.6102 9.6102 9.6102 9.6102 10.3193 10.3193 10.3193 10.3193 12.3509 12.3509 12.3509 12.3509 12.9265 12.9265 12.9265 12.9265 16.6911 16.6911 k = 0.3627 0.2094 0.3500 ( 1760 PWs) bands (ev): -0.1852 -0.1852 -0.1852 -0.1852 5.4124 5.4124 5.4124 5.4124 7.9919 7.9919 7.9919 7.9919 8.3476 8.3476 8.3476 8.3476 9.2386 9.2386 9.2386 9.2386 9.6222 9.6222 9.6222 9.6222 10.2672 10.2672 10.2672 10.2672 12.3125 12.3125 12.3125 12.3125 12.9729 12.9729 12.9729 12.9729 16.6761 16.6761 k = 0.3725 0.2151 0.3500 ( 1756 PWs) bands (ev): -0.1342 -0.1342 -0.1342 -0.1342 5.3334 5.3334 5.3334 5.3334 7.9875 7.9875 7.9875 7.9875 8.3381 8.3381 8.3381 8.3381 9.2484 9.2484 9.2484 9.2484 9.6338 9.6338 9.6338 9.6338 10.2181 10.2181 10.2181 10.2181 12.2761 12.2761 12.2761 12.2761 13.0179 13.0179 13.0179 13.0179 16.6638 16.6638 k = 0.3824 0.2208 0.3500 ( 1754 PWs) bands (ev): -0.0849 -0.0849 -0.0849 -0.0849 5.2575 5.2575 5.2575 5.2575 7.9833 7.9833 7.9833 7.9833 8.3285 8.3285 8.3285 8.3285 9.2591 9.2591 9.2591 9.2591 9.6450 9.6450 9.6450 9.6450 10.1718 10.1718 10.1718 10.1718 12.2417 12.2417 12.2417 12.2417 13.0611 13.0611 13.0611 13.0611 16.6542 16.6542 k = 0.3922 0.2264 0.3500 ( 1750 PWs) bands (ev): -0.0376 -0.0376 -0.0376 -0.0376 5.1854 5.1854 5.1854 5.1854 7.9794 7.9794 7.9794 7.9794 8.3190 8.3190 8.3190 8.3190 9.2706 9.2706 9.2706 9.2706 9.6557 9.6557 9.6557 9.6557 10.1285 10.1285 10.1285 10.1285 12.2096 12.2096 12.2096 12.2096 13.1021 13.1021 13.1021 13.1021 16.6470 16.6470 k = 0.4020 0.2321 0.3500 ( 1750 PWs) bands (ev): 0.0074 0.0074 0.0074 0.0074 5.1174 5.1174 5.1174 5.1174 7.9756 7.9756 7.9756 7.9756 8.3095 8.3095 8.3095 8.3095 9.2825 9.2825 9.2825 9.2825 9.6657 9.6657 9.6657 9.6657 10.0883 10.0883 10.0883 10.0883 12.1797 12.1797 12.1797 12.1797 13.1407 13.1407 13.1407 13.1407 16.6421 16.6421 k = 0.4118 0.2377 0.3500 ( 1750 PWs) bands (ev): 0.0497 0.0497 0.0497 0.0497 5.0540 5.0540 5.0540 5.0540 7.9722 7.9722 7.9722 7.9722 8.3005 8.3005 8.3005 8.3005 9.2949 9.2949 9.2949 9.2949 9.6749 9.6749 9.6749 9.6749 10.0511 10.0511 10.0511 10.0511 12.1523 12.1523 12.1523 12.1523 13.1765 13.1765 13.1765 13.1765 16.6391 16.6391 k = 0.4216 0.2434 0.3500 ( 1750 PWs) bands (ev): 0.0888 0.0888 0.0888 0.0888 4.9957 4.9957 4.9957 4.9957 7.9690 7.9690 7.9690 7.9690 8.2921 8.2921 8.2921 8.2921 9.3074 9.3074 9.3074 9.3074 9.6832 9.6832 9.6832 9.6832 10.0171 10.0171 10.0171 10.0171 12.1274 12.1274 12.1274 12.1274 13.2094 13.2094 13.2094 13.2094 16.6379 16.6379 k = 0.4314 0.2491 0.3500 ( 1754 PWs) bands (ev): 0.1245 0.1245 0.1245 0.1245 4.9429 4.9429 4.9429 4.9429 7.9662 7.9662 7.9662 7.9662 8.2842 8.2842 8.2842 8.2842 9.3198 9.3198 9.3198 9.3198 9.6904 9.6904 9.6904 9.6904 9.9863 9.9863 9.9863 9.9863 12.1052 12.1052 12.1052 12.1052 13.2389 13.2389 13.2389 13.2389 16.6380 16.6380 k = 0.4412 0.2547 0.3500 ( 1756 PWs) bands (ev): 0.1563 0.1563 0.1563 0.1563 4.8961 4.8961 4.8961 4.8961 7.9637 7.9637 7.9637 7.9637 8.2772 8.2772 8.2772 8.2772 9.3317 9.3317 9.3317 9.3317 9.6965 9.6965 9.6965 9.6965 9.9592 9.9592 9.9592 9.9592 12.0858 12.0858 12.0858 12.0858 13.2650 13.2650 13.2650 13.2650 16.6391 16.6391 k = 0.4510 0.2604 0.3500 ( 1756 PWs) bands (ev): 0.1839 0.1839 0.1839 0.1839 4.8558 4.8558 4.8558 4.8558 7.9615 7.9615 7.9615 7.9615 8.2711 8.2711 8.2711 8.2711 9.3428 9.3428 9.3428 9.3428 9.7014 9.7014 9.7014 9.7014 9.9359 9.9359 9.9359 9.9359 12.0691 12.0691 12.0691 12.0691 13.2875 13.2875 13.2875 13.2875 16.6410 16.6410 k = 0.4608 0.2660 0.3500 ( 1748 PWs) bands (ev): 0.2070 0.2070 0.2070 0.2070 4.8222 4.8222 4.8222 4.8222 7.9598 7.9598 7.9598 7.9598 8.2660 8.2660 8.2660 8.2660 9.3528 9.3528 9.3528 9.3528 9.7051 9.7051 9.7051 9.7051 9.9166 9.9166 9.9166 9.9166 12.0554 12.0554 12.0554 12.0554 13.3061 13.3061 13.3061 13.3061 16.6431 16.6431 k = 0.4706 0.2717 0.3500 ( 1748 PWs) bands (ev): 0.2253 0.2253 0.2253 0.2253 4.7957 4.7957 4.7957 4.7957 7.9584 7.9584 7.9584 7.9584 8.2619 8.2619 8.2619 8.2619 9.3612 9.3612 9.3612 9.3612 9.7076 9.7076 9.7076 9.7076 9.9015 9.9015 9.9015 9.9015 12.0447 12.0447 12.0447 12.0447 13.3207 13.3207 13.3207 13.3207 16.6452 16.6452 k = 0.4804 0.2774 0.3500 ( 1748 PWs) bands (ev): 0.2385 0.2385 0.2385 0.2385 4.7765 4.7765 4.7765 4.7765 7.9574 7.9574 7.9574 7.9574 8.2590 8.2590 8.2590 8.2590 9.3675 9.3675 9.3675 9.3675 9.7092 9.7092 9.7092 9.7092 9.8906 9.8906 9.8906 9.8906 12.0370 12.0370 12.0370 12.0370 13.3312 13.3312 13.3312 13.3312 16.6469 16.6469 k = 0.4902 0.2830 0.3500 ( 1744 PWs) bands (ev): 0.2465 0.2465 0.2465 0.2465 4.7650 4.7650 4.7650 4.7650 7.9568 7.9568 7.9568 7.9568 8.2572 8.2572 8.2572 8.2572 9.3715 9.3715 9.3715 9.3715 9.7100 9.7100 9.7100 9.7100 9.8841 9.8841 9.8841 9.8841 12.0324 12.0324 12.0324 12.0324 13.3376 13.3376 13.3376 13.3376 16.6481 16.6481 k = 0.5000 0.2887 0.3500 ( 1752 PWs) bands (ev): 0.2492 0.2492 0.2492 0.2492 4.7611 4.7611 4.7611 4.7611 7.9566 7.9566 7.9566 7.9566 8.2565 8.2565 8.2565 8.2565 9.3728 9.3728 9.3728 9.3728 9.7102 9.7102 9.7102 9.7102 9.8819 9.8819 9.8819 9.8819 12.0308 12.0308 12.0308 12.0308 13.3397 13.3397 13.3397 13.3397 16.6485 16.6485 k = 0.5000 0.2887 0.3500 ( 1752 PWs) bands (ev): 0.2492 0.2492 0.2492 0.2492 4.7611 4.7611 4.7611 4.7611 7.9566 7.9566 7.9566 7.9566 8.2565 8.2565 8.2565 8.2565 9.3728 9.3728 9.3728 9.3728 9.7102 9.7102 9.7102 9.7102 9.8819 9.8819 9.8819 9.8819 12.0308 12.0308 12.0308 12.0308 13.3397 13.3397 13.3397 13.3397 16.6485 16.6485 k = 0.4944 0.2983 0.3500 ( 1748 PWs) bands (ev): 0.2496 0.2496 0.2500 0.2500 4.7623 4.7623 4.7625 4.7625 7.9479 7.9479 7.9566 7.9566 8.2540 8.2540 8.2611 8.2611 9.3711 9.3711 9.3748 9.3748 9.7060 9.7060 9.7154 9.7154 9.8789 9.8789 9.8842 9.8842 12.0149 12.0149 12.0202 12.0202 13.3485 13.3485 13.3596 13.3596 16.6513 16.6513 k = 0.4889 0.3079 0.3500 ( 1744 PWs) bands (ev): 0.2510 0.2510 0.2519 0.2519 4.7660 4.7660 4.7664 4.7664 7.9310 7.9310 7.9477 7.9477 8.2534 8.2534 8.2669 8.2669 9.3696 9.3696 9.3770 9.3770 9.7031 9.7031 9.7218 9.7218 9.8753 9.8753 9.8860 9.8860 11.9747 11.9747 11.9843 11.9843 13.3846 13.3846 13.4058 13.4058 16.6637 16.6637 k = 0.4833 0.3175 0.3500 ( 1748 PWs) bands (ev): 0.2536 0.2536 0.2549 0.2549 4.7723 4.7723 4.7729 4.7729 7.9066 7.9066 7.9301 7.9301 8.2547 8.2547 8.2735 8.2735 9.3683 9.3683 9.3792 9.3792 9.7011 9.7011 9.7294 9.7294 9.8709 9.8709 9.8874 9.8874 11.9152 11.9152 11.9277 11.9277 13.4434 13.4434 13.4732 13.4732 16.6856 16.6856 k = 0.4778 0.3272 0.3500 ( 1756 PWs) bands (ev): 0.2572 0.2572 0.2590 0.2590 4.7812 4.7812 4.7819 4.7819 7.8752 7.8752 7.9043 7.9043 8.2573 8.2573 8.2802 8.2802 9.3673 9.3673 9.3814 9.3814 9.6999 9.6999 9.7381 9.7381 9.8658 9.8658 9.8884 9.8884 11.8420 11.8420 11.8560 11.8560 13.5191 13.5191 13.5561 13.5561 16.7171 16.7171 k = 0.4722 0.3368 0.3500 ( 1758 PWs) bands (ev): 0.2619 0.2619 0.2642 0.2642 4.7926 4.7926 4.7934 4.7934 7.8376 7.8376 7.8712 7.8712 8.2606 8.2606 8.2867 8.2867 9.3667 9.3667 9.3835 9.3835 9.6995 9.6995 9.7479 9.7479 9.8599 9.8599 9.8894 9.8894 11.7601 11.7601 11.7745 11.7745 13.6062 13.6062 13.6491 13.6491 16.7582 16.7582 k = 0.4667 0.3464 0.3500 ( 1758 PWs) bands (ev): 0.2677 0.2677 0.2704 0.2704 4.8065 4.8065 4.8075 4.8075 7.7942 7.7942 7.8312 7.8312 8.2643 8.2643 8.2926 8.2926 9.3663 9.3663 9.3854 9.3854 9.6997 9.6997 9.7588 9.7588 9.8535 9.8535 9.8906 9.8906 11.6733 11.6733 11.6873 11.6873 13.7004 13.7004 13.7482 13.7482 16.8089 16.8089 k = 0.4611 0.3560 0.3500 ( 1762 PWs) bands (ev): 0.2745 0.2745 0.2777 0.2777 4.8229 4.8229 4.8240 4.8240 7.7452 7.7452 7.7850 7.7850 8.2678 8.2678 8.2977 8.2977 9.3662 9.3662 9.3871 9.3871 9.7000 9.7000 9.7705 9.7705 9.8466 9.8466 9.8921 9.8921 11.5846 11.5846 11.5976 11.5976 13.7981 13.7981 13.8501 13.8501 16.8689 16.8689 k = 0.4556 0.3657 0.3500 ( 1758 PWs) bands (ev): 0.2822 0.2822 0.2859 0.2859 4.8419 4.8419 4.8430 4.8430 7.6909 7.6909 7.7330 7.7330 8.2709 8.2709 8.3021 8.3021 9.3663 9.3663 9.3886 9.3886 9.7004 9.7004 9.7826 9.7826 9.8398 9.8398 9.8945 9.8945 11.4961 11.4961 11.5075 11.5075 13.8968 13.8968 13.9524 13.9524 16.9380 16.9380 k = 0.4500 0.3753 0.3500 ( 1758 PWs) bands (ev): 0.2909 0.2909 0.2950 0.2950 4.8633 4.8633 4.8645 4.8645 7.6316 7.6316 7.6755 7.6755 8.2734 8.2734 8.3056 8.3056 9.3666 9.3666 9.3898 9.3898 9.7003 9.7003 9.7934 9.7934 9.8348 9.8348 9.8981 9.8981 11.4092 11.4092 11.4189 11.4189 13.9947 13.9947 14.0532 14.0532 17.0158 17.0158 k = 0.4444 0.3849 0.3500 ( 1758 PWs) bands (ev): 0.3004 0.3004 0.3049 0.3049 4.8872 4.8872 4.8884 4.8884 7.5675 7.5675 7.6129 7.6129 8.2754 8.2754 8.3082 8.3082 9.3671 9.3671 9.3907 9.3907 9.6995 9.6995 9.7986 9.7986 9.8358 9.8358 9.9031 9.9031 11.3251 11.3251 11.3327 11.3327 14.0903 14.0903 14.1513 14.1513 17.1015 17.1015 k = 0.4389 0.3945 0.3500 ( 1760 PWs) bands (ev): 0.3107 0.3107 0.3156 0.3156 4.9135 4.9135 4.9147 4.9147 7.4990 7.4990 7.5456 7.5456 8.2766 8.2766 8.3100 8.3100 9.3678 9.3678 9.3915 9.3915 9.6975 9.6975 9.7949 9.7949 9.8461 9.8461 9.9098 9.9098 11.2444 11.2444 11.2498 11.2498 14.1826 14.1826 14.2456 14.2456 17.1944 17.1944 k = 0.4333 0.4041 0.3500 ( 1756 PWs) bands (ev): 0.3218 0.3218 0.3271 0.3271 4.9422 4.9422 4.9433 4.9433 7.4263 7.4263 7.4740 7.4740 8.2773 8.2773 8.3111 8.3111 9.3689 9.3689 9.3922 9.3922 9.6942 9.6942 9.7863 9.7863 9.8617 9.8617 9.9186 9.9186 11.1677 11.1677 11.1707 11.1707 14.2710 14.2710 14.3356 14.3356 17.2934 17.2934 k = 0.4278 0.4138 0.3500 ( 1752 PWs) bands (ev): 0.3334 0.3334 0.3392 0.3392 4.9733 4.9733 4.9742 4.9742 7.3499 7.3499 7.3986 7.3986 8.2775 8.2775 8.3116 8.3116 9.3700 9.3700 9.3928 9.3928 9.6895 9.6895 9.7757 9.7757 9.8800 9.8800 9.9293 9.9293 11.0952 11.0952 11.0958 11.0958 14.3550 14.3550 14.4208 14.4208 17.3972 17.3972 k = 0.4222 0.4234 0.3500 ( 1748 PWs) bands (ev): 0.3457 0.3457 0.3518 0.3518 5.0067 5.0067 5.0074 5.0074 7.2701 7.2701 7.3196 7.3196 8.2771 8.2771 8.3115 8.3115 9.3715 9.3715 9.3935 9.3935 9.6834 9.6834 9.7639 9.7639 9.9000 9.9000 9.9421 9.9421 11.0251 11.0251 11.0270 11.0270 14.4343 14.4343 14.5010 14.5010 17.5043 17.5043 k = 0.4167 0.4330 0.3500 ( 1748 PWs) bands (ev): 0.3583 0.3583 0.3648 0.3648 5.0424 5.0424 5.0427 5.0427 7.1873 7.1873 7.2377 7.2377 8.2761 8.2761 8.3108 8.3108 9.3731 9.3731 9.3943 9.3943 9.6759 9.6759 9.7513 9.7513 9.9210 9.9210 9.9566 9.9566 10.9586 10.9586 10.9632 10.9632 14.5089 14.5089 14.5763 14.5763 17.6132 17.6132 k = 0.4111 0.4426 0.3500 ( 1744 PWs) bands (ev): 0.3713 0.3713 0.3782 0.3782 5.0801 5.0801 5.0802 5.0802 7.1021 7.1021 7.1533 7.1533 8.2750 8.2750 8.3098 8.3098 9.3752 9.3752 9.3954 9.3954 9.6671 9.6671 9.7383 9.7383 9.9430 9.9430 9.9727 9.9727 10.8964 10.8964 10.9036 10.9036 14.5788 14.5788 14.6465 14.6465 17.7224 17.7224 k = 0.4056 0.4523 0.3500 ( 1744 PWs) bands (ev): 0.3845 0.3845 0.3918 0.3918 5.1195 5.1195 5.1202 5.1202 7.0149 7.0149 7.0671 7.0671 8.2734 8.2734 8.3084 8.3084 9.3775 9.3775 9.3969 9.3969 9.6573 9.6573 9.7249 9.7249 9.9659 9.9659 9.9903 9.9903 10.8381 10.8381 10.8481 10.8481 14.6440 14.6440 14.7119 14.7119 17.8301 17.8301 k = 0.4000 0.4619 0.3500 ( 1740 PWs) bands (ev): 0.3979 0.3979 0.4055 0.4055 5.1607 5.1607 5.1622 5.1622 6.9264 6.9264 6.9796 6.9796 8.2715 8.2715 8.3067 8.3067 9.3802 9.3802 9.3988 9.3988 9.6466 9.6466 9.7114 9.7114 9.9897 9.9897 10.0092 10.0092 10.7837 10.7837 10.7966 10.7966 14.7046 14.7046 14.7726 14.7726 17.9350 17.9350 k = 0.3944 0.4715 0.3500 ( 1740 PWs) bands (ev): 0.4111 0.4111 0.4191 0.4191 5.2036 5.2036 5.2062 5.2062 6.8371 6.8371 6.8916 6.8916 8.2695 8.2695 8.3048 8.3048 9.3833 9.3833 9.4011 9.4011 9.6352 9.6352 9.6977 9.6977 10.0140 10.0140 10.0290 10.0290 10.7328 10.7328 10.7487 10.7487 14.7608 14.7608 14.8287 14.8287 18.0358 18.0358 k = 0.3889 0.4811 0.3500 ( 1744 PWs) bands (ev): 0.4242 0.4242 0.4324 0.4324 5.2480 5.2480 5.2519 5.2519 6.7477 6.7477 6.8036 6.8036 8.2673 8.2673 8.3027 8.3027 9.3867 9.3867 9.4041 9.4041 9.6232 9.6232 9.6841 9.6841 10.0389 10.0389 10.0496 10.0496 10.6851 10.6851 10.7043 10.7043 14.8125 14.8125 14.8804 14.8804 18.1312 18.1315 k = 0.3833 0.4907 0.3500 ( 1748 PWs) bands (ev): 0.4369 0.4369 0.4455 0.4455 5.2937 5.2937 5.2992 5.2992 6.6588 6.6588 6.7165 6.7165 8.2650 8.2650 8.3005 8.3005 9.3905 9.3905 9.4076 9.4076 9.6108 9.6108 9.6706 9.6706 10.0643 10.0643 10.0706 10.0706 10.6406 10.6406 10.6632 10.6632 14.8599 14.8599 14.9276 14.9276 18.2137 18.2137 k = 0.3778 0.5004 0.3500 ( 1740 PWs) bands (ev): 0.4492 0.4492 0.4580 0.4580 5.3402 5.3402 5.3479 5.3479 6.5712 6.5712 6.6311 6.6311 8.2629 8.2629 8.2984 8.2984 9.3948 9.3948 9.4120 9.4120 9.5981 9.5981 9.6575 9.6575 10.0903 10.0903 10.0921 10.0921 10.5988 10.5988 10.6252 10.6252 14.9029 14.9029 14.9704 14.9704 18.2890 18.2890 k = 0.3722 0.5100 0.3500 ( 1740 PWs) bands (ev): 0.4607 0.4607 0.4697 0.4697 5.3872 5.3872 5.3975 5.3975 6.4857 6.4857 6.5484 6.5484 8.2608 8.2608 8.2963 8.2963 9.3993 9.3993 9.4171 9.4171 9.5853 9.5853 9.6448 9.6448 10.1136 10.1136 10.1164 10.1164 10.5594 10.5594 10.5901 10.5901 14.9415 14.9415 15.0089 15.0089 18.3564 18.3564 k = 0.3667 0.5196 0.3500 ( 1740 PWs) bands (ev): 0.4713 0.4713 0.4806 0.4806 5.4338 5.4338 5.4476 5.4476 6.4032 6.4032 6.4694 6.4694 8.2589 8.2589 8.2944 8.2944 9.4041 9.4041 9.4230 9.4230 9.5725 9.5725 9.6328 9.6328 10.1346 10.1346 10.1428 10.1428 10.5223 10.5223 10.5580 10.5580 14.9756 14.9756 15.0428 15.0428 18.4153 18.4153 k = 0.3611 0.5292 0.3500 ( 1744 PWs) bands (ev): 0.4808 0.4808 0.4903 0.4903 5.4792 5.4792 5.4975 5.4975 6.3249 6.3249 6.3957 6.3957 8.2571 8.2571 8.2926 8.2926 9.4089 9.4089 9.4296 9.4296 9.5597 9.5597 9.6215 9.6215 10.1550 10.1550 10.1692 10.1692 10.4874 10.4874 10.5289 10.5289 15.0050 15.0050 15.0722 15.0722 18.4651 18.4651 k = 0.3556 0.5389 0.3500 ( 1736 PWs) bands (ev): 0.4891 0.4891 0.4987 0.4987 5.5219 5.5219 5.5458 5.5458 6.2526 6.2526 6.3290 6.3290 8.2555 8.2555 8.2911 8.2911 9.4137 9.4137 9.4368 9.4368 9.5473 9.5473 9.6115 9.6115 10.1741 10.1741 10.1955 10.1955 10.4548 10.4548 10.5034 10.5034 15.0296 15.0296 15.0967 15.0967 18.5052 18.5052 k = 0.3500 0.5485 0.3500 ( 1736 PWs) bands (ev): 0.4959 0.4959 0.5056 0.5056 5.5599 5.5599 5.5905 5.5905 6.1887 6.1887 6.2718 6.2718 8.2542 8.2542 8.2898 8.2898 9.4180 9.4180 9.4445 9.4445 9.5355 9.5355 9.6029 9.6029 10.1909 10.1909 10.2209 10.2209 10.4247 10.4247 10.4818 10.4818 15.0492 15.0492 15.1163 15.1163 18.5354 18.5355 k = 0.3444 0.5581 0.3500 ( 1736 PWs) bands (ev): 0.5010 0.5010 0.5108 0.5108 5.5904 5.5904 5.6283 5.6283 6.1367 6.1367 6.2271 6.2271 8.2533 8.2533 8.2889 8.2889 9.4216 9.4216 9.4521 9.4521 9.5248 9.5248 9.5962 9.5962 10.2043 10.2043 10.2446 10.2446 10.3979 10.3979 10.4650 10.4650 15.0634 15.0634 15.1305 15.1305 18.5558 18.5558 k = 0.3389 0.5677 0.3500 ( 1728 PWs) bands (ev): 0.5042 0.5042 0.5141 0.5141 5.6103 5.6103 5.6544 5.6544 6.1019 6.1019 6.1986 6.1986 8.2528 8.2528 8.2884 8.2884 9.4241 9.4241 9.4584 9.4584 9.5167 9.5167 9.5918 9.5918 10.2133 10.2133 10.2636 10.2636 10.3772 10.3772 10.4544 10.4544 15.0722 15.0722 15.1393 15.1393 18.5671 18.5671 k = 0.3333 0.5774 0.3500 ( 1728 PWs) bands (ev): 0.5053 0.5053 0.5152 0.5152 5.6172 5.6172 5.6637 5.6637 6.0896 6.0896 6.1888 6.1888 8.2525 8.2525 8.2882 8.2882 9.4250 9.4250 9.4611 9.4611 9.5134 9.5134 9.5903 9.5903 10.2164 10.2164 10.2715 10.2715 10.3687 10.3687 10.4507 10.4507 15.0751 15.0751 15.1422 15.1422 18.5704 18.5704 k = 0.3333 0.5774 0.3500 ( 1728 PWs) bands (ev): 0.5053 0.5053 0.5152 0.5152 5.6172 5.6172 5.6637 5.6637 6.0896 6.0896 6.1888 6.1888 8.2525 8.2525 8.2882 8.2882 9.4250 9.4250 9.4611 9.4611 9.5134 9.5134 9.5903 9.5903 10.2164 10.2164 10.2715 10.2715 10.3687 10.3687 10.4507 10.4507 15.0751 15.0751 15.1422 15.1422 18.5704 18.5704 k = 0.3277 0.5676 0.3500 ( 1728 PWs) bands (ev): 0.5041 0.5041 0.5140 0.5140 5.6105 5.6105 5.6546 5.6546 6.1019 6.1019 6.1985 6.1985 8.2528 8.2528 8.2884 8.2884 9.4240 9.4240 9.4581 9.4581 9.5171 9.5171 9.5920 9.5920 10.2132 10.2132 10.2635 10.2635 10.3773 10.3773 10.4544 10.4544 15.0720 15.0720 15.1391 15.1391 18.5676 18.5676 k = 0.3220 0.5578 0.3500 ( 1736 PWs) bands (ev): 0.5003 0.5003 0.5102 0.5102 5.5927 5.5927 5.6311 5.6311 6.1350 6.1350 6.2259 6.2259 8.2534 8.2534 8.2890 8.2890 9.4210 9.4210 9.4505 9.4505 9.5266 9.5266 9.5970 9.5970 10.2044 10.2044 10.2447 10.2447 10.3976 10.3976 10.4648 10.4648 15.0625 15.0625 15.1296 15.1296 18.5607 18.5607 k = 0.3164 0.5480 0.3500 ( 1740 PWs) bands (ev): 0.4938 0.4938 0.5035 0.5035 5.5679 5.5679 5.5998 5.5998 6.1825 6.1825 6.2669 6.2669 8.2546 8.2546 8.2902 8.2902 9.4161 9.4161 9.4407 9.4407 9.5398 9.5398 9.6053 9.6053 10.1912 10.1912 10.2217 10.2217 10.4231 10.4231 10.4806 10.4806 15.0466 15.0466 15.1135 15.1135 18.5519 18.5519 k = 0.3107 0.5382 0.3500 ( 1740 PWs) bands (ev): 0.4844 0.4844 0.4940 0.4940 5.5399 5.5399 5.5660 5.5660 6.2393 6.2393 6.3179 6.3179 8.2563 8.2563 8.2919 8.2919 9.4097 9.4097 9.4300 9.4300 9.5553 9.5553 9.6167 9.6167 10.1753 10.1753 10.1974 10.1974 10.4511 10.4511 10.5004 10.5004 15.0241 15.0241 15.0909 15.0909 18.5429 18.5429 k = 0.3051 0.5284 0.3500 ( 1740 PWs) bands (ev): 0.4720 0.4720 0.4814 0.4814 5.5117 5.5117 5.5331 5.5331 6.3020 6.3020 6.3758 6.3758 8.2585 8.2585 8.2941 8.2941 9.4020 9.4020 9.4189 9.4189 9.5726 9.5726 9.6308 9.6308 10.1577 10.1577 10.1729 10.1729 10.4803 10.4803 10.5230 10.5230 14.9953 14.9953 15.0619 15.0619 18.5353 18.5353 k = 0.2994 0.5186 0.3500 ( 1740 PWs) bands (ev): 0.4564 0.4564 0.4656 0.4656 5.4855 5.4855 5.5032 5.5032 6.3686 6.3686 6.4387 6.4387 8.2613 8.2613 8.2968 8.2968 9.3935 9.3935 9.4078 9.4078 9.5913 9.5913 9.6472 9.6472 10.1393 10.1393 10.1487 10.1487 10.5104 10.5104 10.5476 10.5476 14.9602 14.9602 15.0264 15.0264 18.5301 18.5301 k = 0.2938 0.5089 0.3500 ( 1740 PWs) bands (ev): 0.4377 0.4377 0.4466 0.4466 5.4626 5.4626 5.4775 5.4775 6.4379 6.4379 6.5051 6.5051 8.2647 8.2647 8.3001 8.3001 9.3843 9.3843 9.3969 9.3969 9.6110 9.6110 9.6654 9.6654 10.1209 10.1209 10.1252 10.1252 10.5410 10.5410 10.5737 10.5737 14.9191 14.9191 14.9850 14.9850 18.5279 18.5279 k = 0.2881 0.4991 0.3500 ( 1736 PWs) bands (ev): 0.4157 0.4157 0.4244 0.4244 5.4439 5.4439 5.4568 5.4568 6.5089 6.5089 6.5740 6.5740 8.2686 8.2686 8.3039 8.3039 9.3749 9.3749 9.3862 9.3862 9.6315 9.6315 9.6853 9.6853 10.1028 10.1028 10.1030 10.1030 10.5723 10.5723 10.6010 10.6010 14.8723 14.8723 14.9377 14.9377 18.5289 18.5289 k = 0.2825 0.4893 0.3500 ( 1742 PWs) bands (ev): 0.3905 0.3905 0.3988 0.3988 5.4302 5.4302 5.4414 5.4414 6.5811 6.5811 6.6446 6.6446 8.2730 8.2730 8.3081 8.3081 9.3650 9.3650 9.3757 9.3757 9.6522 9.6522 9.7061 9.7061 10.0821 10.0821 10.0865 10.0865 10.6040 10.6040 10.6293 10.6293 14.8203 14.8203 14.8852 14.8852 18.5331 18.5331 k = 0.2768 0.4795 0.3500 ( 1750 PWs) bands (ev): 0.3621 0.3621 0.3701 0.3701 5.4217 5.4217 5.4318 5.4318 6.6540 6.6540 6.7162 6.7162 8.2780 8.2780 8.3129 8.3129 9.3551 9.3551 9.3655 9.3655 9.6727 9.6727 9.7271 9.7271 10.0636 10.0636 10.0721 10.0721 10.6361 10.6361 10.6584 10.6584 14.7635 14.7635 14.8279 14.8279 18.5398 18.5398 k = 0.2712 0.4697 0.3500 ( 1754 PWs) bands (ev): 0.3305 0.3305 0.3382 0.3382 5.4187 5.4187 5.4281 5.4281 6.7271 6.7271 6.7884 6.7884 8.2835 8.2835 8.3181 8.3181 9.3452 9.3452 9.3558 9.3558 9.6921 9.6921 9.7474 9.7474 10.0488 10.0488 10.0610 10.0610 10.6688 10.6688 10.6882 10.6882 14.7024 14.7024 14.7662 14.7662 18.5485 18.5485 k = 0.2655 0.4599 0.3500 ( 1758 PWs) bands (ev): 0.2960 0.2960 0.3033 0.3033 5.4214 5.4214 5.4302 5.4302 6.8001 6.8001 6.8607 6.8607 8.2894 8.2894 8.3237 8.3237 9.3353 9.3353 9.3464 9.3464 9.7092 9.7092 9.7652 9.7652 10.0396 10.0396 10.0547 10.0547 10.7019 10.7019 10.7187 10.7187 14.6376 14.6376 14.7007 14.7007 18.5582 18.5582 k = 0.2599 0.4501 0.3500 ( 1762 PWs) bands (ev): 0.2585 0.2585 0.2654 0.2654 5.4297 5.4297 5.4382 5.4382 6.8726 6.8726 6.9328 6.9328 8.2959 8.2959 8.3298 8.3298 9.3256 9.3256 9.3375 9.3375 9.7225 9.7225 9.7784 9.7784 10.0379 10.0379 10.0548 10.0548 10.7355 10.7355 10.7499 10.7499 14.5695 14.5695 14.6321 14.6321 18.5679 18.5679 k = 0.2542 0.4404 0.3500 ( 1764 PWs) bands (ev): 0.2184 0.2184 0.2249 0.2249 5.4436 5.4436 5.4519 5.4519 6.9444 6.9444 7.0042 7.0042 8.3028 8.3028 8.3362 8.3362 9.3162 9.3162 9.3292 9.3292 9.7308 9.7308 9.7850 9.7850 10.0461 10.0461 10.0628 10.0628 10.7696 10.7696 10.7816 10.7816 14.4988 14.4988 14.5607 14.5607 18.5764 18.5764 k = 0.2486 0.4306 0.3500 ( 1760 PWs) bands (ev): 0.1757 0.1757 0.1818 0.1818 5.4630 5.4630 5.4713 5.4713 7.0151 7.0151 7.0746 7.0746 8.3102 8.3102 8.3430 8.3430 9.3070 9.3070 9.3214 9.3214 9.7332 9.7332 9.7842 9.7842 10.0651 10.0651 10.0798 10.0798 10.8041 10.8041 10.8139 10.8139 14.4259 14.4259 14.4872 14.4872 18.5825 18.5826 k = 0.2429 0.4208 0.3500 ( 1756 PWs) bands (ev): 0.1307 0.1307 0.1364 0.1364 5.4877 5.4877 5.4961 5.4961 7.0845 7.0845 7.1437 7.1437 8.3180 8.3180 8.3499 8.3499 9.2981 9.2981 9.3142 9.3142 9.7299 9.7299 9.7769 9.7769 10.0943 10.0943 10.1058 10.1058 10.8393 10.8393 10.8468 10.8468 14.3514 14.3514 14.4122 14.4122 18.5854 18.5862 k = 0.2373 0.4110 0.3500 ( 1756 PWs) bands (ev): 0.0836 0.0836 0.0889 0.0889 5.5175 5.5175 5.5261 5.5261 7.1522 7.1522 7.2111 7.2111 8.3260 8.3260 8.3571 8.3571 9.2896 9.2896 9.3076 9.3076 9.7216 9.7216 9.7646 9.7646 10.1321 10.1321 10.1402 10.1402 10.8749 10.8749 10.8802 10.8802 14.2757 14.2757 14.3360 14.3360 18.5800 18.5800 k = 0.2316 0.4012 0.3500 ( 1752 PWs) bands (ev): 0.0345 0.0345 0.0395 0.0395 5.5522 5.5522 5.5610 5.5610 7.2180 7.2180 7.2767 7.2767 8.3342 8.3342 8.3642 8.3642 9.2813 9.2813 9.3015 9.3015 9.7095 9.7095 9.7490 9.7490 10.1773 10.1773 10.1824 10.1824 10.9111 10.9111 10.9141 10.9141 14.1993 14.1993 14.2591 14.2591 18.5691 18.5691 k = 0.2260 0.3914 0.3500 ( 1752 PWs) bands (ev): -0.0161 -0.0161 -0.0115 -0.0115 5.5916 5.5916 5.6006 5.6006 7.2817 7.2817 7.3400 7.3400 8.3426 8.3426 8.3714 8.3714 9.2734 9.2734 9.2960 9.2960 9.6946 9.6946 9.7315 9.7315 10.2285 10.2285 10.2311 10.2311 10.9478 10.9478 10.9486 10.9486 14.1227 14.1227 14.1821 14.1821 18.5533 18.5533 k = 0.2203 0.3816 0.3500 ( 1756 PWs) bands (ev): -0.0682 -0.0682 -0.0640 -0.0640 5.6354 5.6354 5.6446 5.6446 7.3431 7.3431 7.4010 7.4010 8.3510 8.3510 8.3783 8.3783 9.2660 9.2660 9.2912 9.2912 9.6777 9.6777 9.7126 9.7126 10.2852 10.2852 10.2858 10.2858 10.9834 10.9834 10.9849 10.9849 14.0462 14.0462 14.1053 14.1053 18.5331 18.5331 k = 0.2147 0.3719 0.3500 ( 1752 PWs) bands (ev): -0.1215 -0.1215 -0.1175 -0.1175 5.6832 5.6832 5.6927 5.6927 7.4020 7.4020 7.4593 7.4593 8.3594 8.3594 8.3852 8.3852 9.2590 9.2590 9.2871 9.2871 9.6597 9.6597 9.6933 9.6933 10.3460 10.3460 10.3469 10.3469 11.0186 11.0186 11.0226 11.0226 13.9704 13.9704 14.0292 14.0292 18.5087 18.5087 k = 0.2090 0.3621 0.3500 ( 1756 PWs) bands (ev): -0.1757 -0.1757 -0.1721 -0.1721 5.7349 5.7349 5.7447 5.7447 7.4582 7.4582 7.5148 7.5148 8.3676 8.3676 8.3915 8.3915 9.2524 9.2524 9.2836 9.2836 9.6410 9.6410 9.6739 9.6739 10.4112 10.4112 10.4131 10.4131 11.0542 11.0542 11.0607 11.0607 13.8956 13.8956 13.9542 13.9542 18.4810 18.4810 k = 0.2034 0.3523 0.3500 ( 1760 PWs) bands (ev): -0.2306 -0.2306 -0.2273 -0.2273 5.7901 5.7901 5.8002 5.8002 7.5116 7.5116 7.5674 7.5674 8.3755 8.3755 8.3975 8.3975 9.2464 9.2464 9.2807 9.2807 9.6219 9.6219 9.6545 9.6545 10.4811 10.4811 10.4837 10.4837 11.0900 11.0900 11.0992 11.0992 13.8222 13.8222 13.8807 13.8807 18.4507 18.4507 k = 0.1977 0.3425 0.3500 ( 1760 PWs) bands (ev): -0.2860 -0.2860 -0.2830 -0.2830 5.8486 5.8486 5.8590 5.8590 7.5621 7.5621 7.6170 7.6170 8.3830 8.3830 8.4030 8.4030 9.2409 9.2409 9.2786 9.2786 9.6029 9.6029 9.6356 9.6356 10.5557 10.5557 10.5585 10.5585 11.1259 11.1259 11.1380 11.1380 13.7508 13.7508 13.8093 13.8093 18.4185 18.4185 k = 0.1921 0.3327 0.3500 ( 1762 PWs) bands (ev): -0.3417 -0.3417 -0.3390 -0.3390 5.9100 5.9100 5.9207 5.9207 7.6098 7.6098 7.6636 7.6636 8.3899 8.3899 8.4078 8.4078 9.2359 9.2359 9.2770 9.2770 9.5840 9.5840 9.6172 9.6172 10.6346 10.6346 10.6372 10.6372 11.1617 11.1617 11.1770 11.1770 13.6816 13.6816 13.7402 13.7402 18.3853 18.3853 k = 0.1864 0.3229 0.3500 ( 1766 PWs) bands (ev): -0.3975 -0.3975 -0.3950 -0.3950 5.9741 5.9741 5.9850 5.9850 7.6546 7.6546 7.7071 7.7071 8.3962 8.3962 8.4118 8.4118 9.2315 9.2315 9.2761 9.2761 9.5655 9.5655 9.5994 9.5994 10.7176 10.7176 10.7195 10.7195 11.1972 11.1972 11.2162 11.2162 13.6153 13.6153 13.6740 13.6740 18.3516 18.3517 k = 0.1808 0.3131 0.3500 ( 1766 PWs) bands (ev): -0.4532 -0.4532 -0.4509 -0.4509 6.0406 6.0406 6.0517 6.0517 7.6965 7.6965 7.7475 7.7475 8.4017 8.4017 8.4150 8.4150 9.2279 9.2279 9.2759 9.2759 9.5476 9.5476 9.5825 9.5825 10.8044 10.8044 10.8049 10.8049 11.2321 11.2321 11.2554 11.2554 13.5522 13.5522 13.6112 13.6112 18.3183 18.3183 k = 0.1751 0.3034 0.3500 ( 1762 PWs) bands (ev): -0.5086 -0.5086 -0.5066 -0.5066 6.1092 6.1092 6.1206 6.1206 7.7355 7.7355 7.7850 7.7850 8.4064 8.4064 8.4174 8.4174 9.2251 9.2251 9.2764 9.2764 9.5305 9.5305 9.5665 9.5665 10.8929 10.8929 10.8948 10.8948 11.2663 11.2663 11.2946 11.2946 13.4930 13.4930 13.5523 13.5523 18.2857 18.2857 k = 0.1695 0.2936 0.3500 ( 1758 PWs) bands (ev): -0.5635 -0.5635 -0.5617 -0.5617 6.1796 6.1796 6.1912 6.1912 7.7718 7.7718 7.8196 7.8196 8.4100 8.4100 8.4188 8.4188 9.2230 9.2230 9.2775 9.2775 9.5141 9.5141 9.5514 9.5514 10.9827 10.9827 10.9884 10.9884 11.2994 11.2994 11.3342 11.3342 13.4382 13.4382 13.4978 13.4978 18.2546 18.2546 k = 0.1638 0.2838 0.3500 ( 1758 PWs) bands (ev): -0.6178 -0.6178 -0.6162 -0.6162 6.2515 6.2515 6.2633 6.2633 7.8054 7.8054 7.8514 7.8514 8.4125 8.4125 8.4191 8.4191 9.2217 9.2217 9.2790 9.2790 9.4986 9.4986 9.5372 9.5372 11.0729 11.0729 11.0847 11.0847 11.3313 11.3313 11.3746 11.3746 13.3885 13.3885 13.4483 13.4483 18.2252 18.2252 k = 0.1582 0.2740 0.3500 ( 1758 PWs) bands (ev): -0.6714 -0.6714 -0.6700 -0.6700 6.3248 6.3248 6.3367 6.3367 7.8364 7.8364 7.8805 7.8805 8.4137 8.4137 8.4184 8.4184 9.2212 9.2212 9.2811 9.2811 9.4840 9.4840 9.5239 9.5239 11.1612 11.1612 11.1827 11.1827 11.3622 11.3622 11.4176 11.4176 13.3444 13.3444 13.4045 13.4045 18.1981 18.1981 k = 0.1525 0.2642 0.3500 ( 1754 PWs) bands (ev): -0.7241 -0.7241 -0.7228 -0.7228 6.3991 6.3991 6.4110 6.4110 7.8649 7.8649 7.9071 7.9071 8.4139 8.4139 8.4168 8.4168 9.2215 9.2215 9.2837 9.2837 9.4704 9.4704 9.5116 9.5116 11.2431 11.2431 11.2794 11.2794 11.3943 11.3943 11.4667 11.4667 13.3066 13.3066 13.3669 13.3669 18.1736 18.1736 k = 0.1469 0.2544 0.3500 ( 1754 PWs) bands (ev): -0.7757 -0.7757 -0.7746 -0.7746 6.4741 6.4741 6.4861 6.4861 7.8909 7.8909 7.9312 7.9312 8.4127 8.4127 8.4141 8.4141 9.2227 9.2227 9.2867 9.2867 9.4579 9.4579 9.5003 9.5003 11.3121 11.3121 11.3606 11.3606 11.4409 11.4409 11.5274 11.5274 13.2757 13.2757 13.3360 13.3360 18.1520 18.1520 k = 0.1412 0.2446 0.3500 ( 1746 PWs) bands (ev): -0.8262 -0.8262 -0.8252 -0.8252 6.5497 6.5497 6.5618 6.5618 7.9149 7.9149 7.9532 7.9532 8.4103 8.4103 8.4103 8.4103 9.2247 9.2247 9.2900 9.2900 9.4464 9.4464 9.4899 9.4899 11.3634 11.3634 11.4028 11.4028 11.5251 11.5251 11.6040 11.6040 13.2525 13.2525 13.3126 13.3126 18.1338 18.1338 k = 0.1356 0.2349 0.3500 ( 1750 PWs) bands (ev): -0.8755 -0.8755 -0.8746 -0.8746 6.6255 6.6255 6.6376 6.6376 7.9365 7.9365 7.9728 7.9728 8.4055 8.4055 8.4065 8.4065 9.2275 9.2275 9.2936 9.2936 9.4359 9.4359 9.4802 9.4802 11.3980 11.3980 11.4232 11.4232 11.6285 11.6285 11.6945 11.6945 13.2372 13.2372 13.2968 13.2968 18.1190 18.1190 k = 0.1299 0.2251 0.3500 ( 1742 PWs) bands (ev): -0.9234 -0.9234 -0.9226 -0.9226 6.7014 6.7014 6.7134 6.7134 7.9562 7.9562 7.9906 7.9906 8.3999 8.3999 8.4017 8.4017 9.2312 9.2312 9.2977 9.2977 9.4265 9.4265 9.4715 9.4715 11.4197 11.4197 11.4348 11.4348 11.7378 11.7378 11.7945 11.7945 13.2302 13.2302 13.2891 13.2891 18.1082 18.1082 k = 0.1243 0.2153 0.3500 ( 1742 PWs) bands (ev): -0.9698 -0.9698 -0.9691 -0.9691 6.7771 6.7771 6.7890 6.7890 7.9740 7.9740 8.0065 8.0065 8.3933 8.3933 8.3956 8.3956 9.2356 9.2356 9.3018 9.3018 9.4181 9.4181 9.4635 9.4635 11.4317 11.4317 11.4401 11.4401 11.8499 11.8499 11.9002 11.9002 13.2317 13.2317 13.2894 13.2894 18.1014 18.1014 k = 0.1186 0.2055 0.3500 ( 1738 PWs) bands (ev): -1.0147 -1.0147 -1.0141 -1.0141 6.8523 6.8523 6.8642 6.8642 7.9901 7.9901 8.0206 8.0206 8.3859 8.3859 8.3885 8.3885 9.2408 9.2408 9.3062 9.3062 9.4106 9.4106 9.4562 9.4562 11.4359 11.4359 11.4398 11.4398 11.9639 11.9639 12.0096 12.0096 13.2415 13.2415 13.2977 13.2977 18.0988 18.0988 k = 0.1130 0.1957 0.3500 ( 1742 PWs) bands (ev): -1.0579 -1.0579 -1.0574 -1.0574 6.9269 6.9269 6.9385 6.9385 8.0044 8.0044 8.0331 8.0331 8.3776 8.3776 8.3803 8.3803 9.2464 9.2464 9.3106 9.3106 9.4040 9.4040 9.4494 9.4494 11.4333 11.4333 11.4342 11.4342 12.0792 12.0792 12.1215 12.1215 13.2593 13.2593 13.3136 13.3136 18.1007 18.1007 k = 0.1073 0.1859 0.3500 ( 1738 PWs) bands (ev): -1.0995 -1.0995 -1.0991 -1.0991 7.0007 7.0007 7.0121 7.0121 8.0172 8.0172 8.0441 8.0441 8.3687 8.3687 8.3712 8.3712 9.2528 9.2528 9.3151 9.3151 9.3984 9.3984 9.4433 9.4433 11.4240 11.4240 11.4250 11.4250 12.1956 12.1956 12.2350 12.2350 13.2843 13.2843 13.3364 13.3364 18.1071 18.1071 k = 0.1017 0.1761 0.3500 ( 1738 PWs) bands (ev): -1.1393 -1.1393 -1.1389 -1.1389 7.0733 7.0733 7.0845 7.0845 8.0285 8.0285 8.0537 8.0537 8.3590 8.3590 8.3613 8.3613 9.2596 9.2596 9.3196 9.3196 9.3937 9.3937 9.4376 9.4376 11.4095 11.4095 11.4116 11.4116 12.3128 12.3128 12.3497 12.3497 13.3159 13.3159 13.3654 13.3654 18.1181 18.1181 k = 0.0960 0.1664 0.3500 ( 1738 PWs) bands (ev): -1.1772 -1.1772 -1.1769 -1.1769 7.1447 7.1447 7.1556 7.1556 8.0385 8.0385 8.0621 8.0621 8.3488 8.3488 8.3506 8.3506 9.2668 9.2668 9.3241 9.3241 9.3897 9.3897 9.4324 9.4324 11.3913 11.3913 11.3940 11.3940 12.4304 12.4304 12.4651 12.4651 13.3529 13.3529 13.3997 13.3997 18.1334 18.1334 k = 0.0904 0.1566 0.3500 ( 1738 PWs) bands (ev): -1.2133 -1.2133 -1.2130 -1.2130 7.2147 7.2147 7.2251 7.2251 8.0472 8.0472 8.0693 8.0693 8.3379 8.3379 8.3391 8.3391 9.2742 9.2742 9.3284 9.3284 9.3865 9.3865 9.4276 9.4276 11.3701 11.3701 11.3730 11.3730 12.5481 12.5481 12.5807 12.5807 13.3945 13.3945 13.4383 13.4383 18.1526 18.1526 k = 0.0847 0.1468 0.3500 ( 1734 PWs) bands (ev): -1.2474 -1.2474 -1.2472 -1.2472 7.2830 7.2830 7.2930 7.2930 8.0549 8.0549 8.0754 8.0754 8.3265 8.3265 8.3271 8.3271 9.2819 9.2819 9.3326 9.3326 9.3840 9.3840 9.4232 9.4232 11.3465 11.3465 11.3495 11.3495 12.6657 12.6657 12.6963 12.6963 13.4395 13.4395 13.4803 13.4803 18.1746 18.1746 k = 0.0791 0.1370 0.3500 ( 1738 PWs) bands (ev): -1.2795 -1.2795 -1.2794 -1.2794 7.3495 7.3495 7.3590 7.3590 8.0615 8.0615 8.0806 8.0806 8.3144 8.3144 8.3144 8.3144 9.2897 9.2897 9.3365 9.3365 9.3821 9.3821 9.4189 9.4189 11.3212 11.3212 11.3240 11.3240 12.7827 12.7827 12.8113 12.8113 13.4869 13.4869 13.5245 13.5245 18.1971 18.1971 k = 0.0734 0.1272 0.3500 ( 1734 PWs) bands (ev): -1.3096 -1.3096 -1.3095 -1.3095 7.4140 7.4140 7.4230 7.4230 8.0672 8.0672 8.0849 8.0849 8.3012 8.3012 8.3018 8.3018 9.2975 9.2975 9.3402 9.3402 9.3808 9.3808 9.4150 9.4150 11.2948 11.2948 11.2973 11.2973 12.8987 12.8987 12.9253 12.9253 13.5357 13.5357 13.5701 13.5701 18.2152 18.2152 k = 0.0678 0.1174 0.3500 ( 1734 PWs) bands (ev): -1.3376 -1.3376 -1.3375 -1.3375 7.4764 7.4764 7.4847 7.4847 8.0722 8.0722 8.0884 8.0884 8.2874 8.2874 8.2887 8.2887 9.3053 9.3053 9.3435 9.3435 9.3800 9.3800 9.4112 9.4112 11.2679 11.2679 11.2700 11.2700 13.0131 13.0131 13.0376 13.0376 13.5849 13.5849 13.6162 13.6162 18.2196 18.2196 k = 0.0621 0.1076 0.3500 ( 1730 PWs) bands (ev): -1.3635 -1.3635 -1.3634 -1.3634 7.5365 7.5365 7.5442 7.5442 8.0763 8.0763 8.0912 8.0912 8.2731 8.2731 8.2750 8.2750 9.3129 9.3129 9.3465 9.3465 9.3796 9.3796 9.4075 9.4075 11.2411 11.2411 11.2429 11.2429 13.1251 13.1251 13.1476 13.1476 13.6338 13.6338 13.6618 13.6618 18.2001 18.2001 k = 0.0565 0.0979 0.3500 ( 1730 PWs) bands (ev): -1.3872 -1.3872 -1.3872 -1.3872 7.5941 7.5941 7.6011 7.6011 8.0798 8.0798 8.0934 8.0934 8.2582 8.2582 8.2606 8.2606 9.3204 9.3204 9.3492 9.3492 9.3796 9.3796 9.4040 9.4040 11.2149 11.2149 11.2163 11.2163 13.2339 13.2339 13.2542 13.2542 13.6816 13.6816 13.7064 13.7064 18.1570 18.1570 k = 0.0508 0.0881 0.3500 ( 1734 PWs) bands (ev): -1.4088 -1.4088 -1.4088 -1.4088 7.6491 7.6491 7.6553 7.6553 8.0827 8.0827 8.0949 8.0949 8.2426 8.2426 8.2454 8.2454 9.3275 9.3275 9.3517 9.3517 9.3798 9.3798 9.4006 9.4006 11.1896 11.1896 11.1907 11.1907 13.3383 13.3383 13.3564 13.3564 13.7278 13.7278 13.7494 13.7494 18.0987 18.0987 k = 0.0452 0.0783 0.3500 ( 1742 PWs) bands (ev): -1.4282 -1.4282 -1.4282 -1.4282 7.7013 7.7013 7.7068 7.7068 8.0852 8.0852 8.0960 8.0960 8.2263 8.2263 8.2295 8.2295 9.3342 9.3342 9.3538 9.3538 9.3801 9.3801 9.3972 9.3972 11.1658 11.1658 11.1666 11.1666 13.4371 13.4371 13.4527 13.4527 13.7722 13.7722 13.7904 13.7904 18.0323 18.0323 k = 0.0395 0.0685 0.3500 ( 1746 PWs) bands (ev): -1.4453 -1.4453 -1.4453 -1.4453 7.7508 7.7508 7.7554 7.7554 8.0872 8.0872 8.0967 8.0967 8.2093 8.2093 8.2127 8.2127 9.3406 9.3406 9.3559 9.3559 9.3804 9.3804 9.3939 9.3939 11.1439 11.1439 11.1445 11.1445 13.5285 13.5285 13.5414 13.5414 13.8145 13.8145 13.8293 13.8293 17.9622 17.9622 k = 0.0339 0.0587 0.3500 ( 1742 PWs) bands (ev): -1.4602 -1.4602 -1.4602 -1.4602 7.7972 7.7972 7.8010 7.8010 8.0890 8.0890 8.0972 8.0972 8.1916 8.1916 8.1950 8.1950 9.3465 9.3465 9.3579 9.3579 9.3806 9.3806 9.3908 9.3908 11.1243 11.1243 11.1246 11.1246 13.6106 13.6106 13.6207 13.6207 13.8547 13.8547 13.8661 13.8661 17.8922 17.8925 k = 0.0282 0.0489 0.3500 ( 1734 PWs) bands (ev): -1.4729 -1.4729 -1.4728 -1.4728 7.8405 7.8405 7.8434 7.8434 8.0905 8.0905 8.0973 8.0973 8.1732 8.1732 8.1766 8.1766 9.3520 9.3520 9.3598 9.3598 9.3808 9.3808 9.3879 9.3879 11.1071 11.1071 11.1073 11.1073 13.6813 13.6813 13.6884 13.6884 13.8930 13.8930 13.9008 13.9008 17.8254 17.8256 k = 0.0226 0.0391 0.3500 ( 1736 PWs) bands (ev): -1.4832 -1.4832 -1.4832 -1.4832 7.8803 7.8803 7.8823 7.8823 8.0918 8.0918 8.0972 8.0972 8.1542 8.1542 8.1573 8.1573 9.3569 9.3569 9.3617 9.3617 9.3805 9.3805 9.3851 9.3851 11.0926 11.0926 11.0927 11.0927 13.7387 13.7387 13.7429 13.7429 13.9287 13.9287 13.9333 13.9333 17.7654 17.7659 k = 0.0169 0.0294 0.3500 ( 1732 PWs) bands (ev): -1.4913 -1.4913 -1.4913 -1.4913 7.9159 7.9159 7.9171 7.9171 8.0929 8.0929 8.0970 8.0970 8.1350 8.1350 8.1377 8.1377 9.3611 9.3611 9.3636 9.3636 9.3801 9.3801 9.3825 9.3825 11.0811 11.0811 11.0812 11.0812 13.7819 13.7819 13.7839 13.7839 13.9606 13.9606 13.9627 13.9627 17.7149 17.7150 k = 0.0113 0.0196 0.3500 ( 1736 PWs) bands (ev): -1.4970 -1.4970 -1.4970 -1.4970 7.9462 7.9462 7.9467 7.9467 8.0938 8.0938 8.0965 8.0965 8.1167 8.1167 8.1188 8.1188 9.3644 9.3644 9.3653 9.3653 9.3793 9.3793 9.3802 9.3802 11.0728 11.0728 11.0728 11.0728 13.8112 13.8112 13.8119 13.8119 13.9860 13.9860 13.9867 13.9867 17.6764 17.6764 k = 0.0056 0.0098 0.3500 ( 1736 PWs) bands (ev): -1.5005 -1.5005 -1.5005 -1.5005 7.9682 7.9682 7.9683 7.9683 8.0947 8.0947 8.0959 8.0959 8.1023 8.1023 8.1033 8.1033 9.3666 9.3666 9.3668 9.3668 9.3785 9.3785 9.3786 9.3786 11.0678 11.0678 11.0678 11.0678 13.8280 13.8280 13.8281 13.8281 14.0025 14.0025 14.0026 14.0026 17.6524 17.6524 k = 0.0000 0.0000 0.3500 ( 1736 PWs) bands (ev): -1.5017 -1.5017 -1.5017 -1.5017 7.9767 7.9767 7.9767 7.9767 8.0957 8.0957 8.0957 8.0957 8.0963 8.0963 8.0963 8.0963 9.3674 9.3674 9.3674 9.3674 9.3781 9.3781 9.3781 9.3781 11.0661 11.0661 11.0661 11.0661 13.8334 13.8334 13.8334 13.8334 14.0082 14.0082 14.0082 14.0082 17.6443 17.6443 k = 0.5000 0.2887 0.3500 ( 1752 PWs) bands (ev): 0.2492 0.2492 0.2492 0.2492 4.7611 4.7611 4.7611 4.7611 7.9566 7.9566 7.9566 7.9566 8.2565 8.2565 8.2565 8.2565 9.3728 9.3728 9.3728 9.3728 9.7102 9.7102 9.7102 9.7102 9.8819 9.8819 9.8819 9.8819 12.0308 12.0308 12.0308 12.0308 13.3397 13.3397 13.3397 13.3397 16.6485 16.6485 k = 0.5000 0.2887 0.3387 ( 1752 PWs) bands (ev): 0.2322 0.2322 0.2655 0.2655 4.7201 4.7201 4.8063 4.8063 7.9280 7.9280 7.9858 7.9858 8.2298 8.2298 8.2823 8.2823 9.3381 9.3381 9.4065 9.4065 9.7034 9.7034 9.7170 9.7170 9.8702 9.8702 9.8937 9.8937 11.9289 11.9289 12.1347 12.1347 13.2441 13.2441 13.4330 13.4330 16.5374 16.5374 k = 0.5000 0.2887 0.3274 ( 1752 PWs) bands (ev): 0.2144 0.2144 0.2810 0.2810 4.6833 4.6833 4.8555 4.8555 7.9001 7.9001 8.0158 8.0158 8.2024 8.2024 8.3069 8.3069 9.3023 9.3023 9.4390 9.4390 9.6971 9.6971 9.7238 9.7238 9.8589 9.8589 9.9058 9.9058 11.8289 11.8289 12.2404 12.2404 13.1468 13.1468 13.5233 13.5233 16.4160 16.4160 k = 0.5000 0.2887 0.3161 ( 1752 PWs) bands (ev): 0.1961 0.1961 0.2956 0.2956 4.6507 4.6507 4.9089 4.9089 7.8731 7.8731 8.0463 8.0463 8.1744 8.1744 8.3301 8.3301 9.2657 9.2657 9.4700 9.4700 9.6911 9.6911 9.7306 9.7306 9.8480 9.8480 9.9180 9.9180 11.7308 11.7308 12.3480 12.3480 13.0485 13.0485 13.6094 13.6094 16.2888 16.2888 k = 0.5000 0.2887 0.3048 ( 1752 PWs) bands (ev): 0.1773 0.1773 0.3092 0.3092 4.6222 4.6222 4.9662 4.9662 7.8468 7.8468 8.0775 8.0775 8.1462 8.1462 8.3515 8.3515 9.2283 9.2283 9.4991 9.4991 9.6858 9.6858 9.7373 9.7373 9.8375 9.8375 9.9303 9.9303 11.6348 11.6348 12.4573 12.4573 12.9497 12.9497 13.6902 13.6902 16.1604 16.1604 k = 0.5000 0.2887 0.2935 ( 1748 PWs) bands (ev): 0.1582 0.1582 0.3218 0.3218 4.5979 4.5979 5.0273 5.0273 7.8213 7.8213 8.1090 8.1090 8.1183 8.1183 8.3711 8.3711 9.1901 9.1901 9.5259 9.5259 9.6817 9.6817 9.7438 9.7438 9.8278 9.8278 9.9427 9.9427 11.5408 11.5408 12.5681 12.5681 12.8510 12.8510 13.7641 13.7641 16.0350 16.0350 k = 0.5000 0.2887 0.2823 ( 1744 PWs) bands (ev): 0.1388 0.1388 0.3334 0.3334 4.5778 4.5778 5.0923 5.0923 7.7967 7.7967 8.0898 8.0898 8.1417 8.1417 8.3886 8.3886 9.1512 9.1512 9.5492 9.5492 9.6794 9.6794 9.7500 9.7500 9.8190 9.8190 9.9551 9.9551 11.4488 11.4488 12.6779 12.6779 12.7554 12.7554 13.8289 13.8289 15.9169 15.9169 k = 0.5000 0.2887 0.2710 ( 1742 PWs) bands (ev): 0.1192 0.1192 0.3438 0.3438 4.5616 4.5616 5.1609 5.1609 7.7728 7.7728 8.0622 8.0622 8.1744 8.1744 8.4036 8.4036 9.1115 9.1115 9.5679 9.5679 9.6798 9.6798 9.7560 9.7560 9.8115 9.8115 9.9674 9.9674 11.3590 11.3590 12.6505 12.6505 12.7993 12.7993 13.8822 13.8822 15.8105 15.8105 k = 0.5000 0.2887 0.2597 ( 1744 PWs) bands (ev): 0.0996 0.0996 0.3532 0.3532 4.5493 4.5493 5.2330 5.2330 7.7498 7.7498 8.0351 8.0351 8.2075 8.2075 8.4160 8.4160 9.0710 9.0710 9.5807 9.5807 9.6835 9.6835 9.7616 9.7616 9.8057 9.8057 9.9796 9.9796 11.2712 11.2712 12.5546 12.5546 12.9144 12.9144 13.9211 13.9211 15.7202 15.7202 k = 0.5000 0.2887 0.2484 ( 1748 PWs) bands (ev): 0.0800 0.0800 0.3615 0.3615 4.5408 4.5408 5.3085 5.3085 7.7277 7.7277 8.0088 8.0088 8.2408 8.2408 8.4255 8.4255 9.0296 9.0296 9.5874 9.5874 9.6898 9.6898 9.7670 9.7670 9.8024 9.8024 9.9917 9.9917 11.1856 11.1856 12.4591 12.4591 13.0320 13.0320 13.9427 13.9427 15.6501 15.6501 k = 0.5000 0.2887 0.2371 ( 1752 PWs) bands (ev): 0.0605 0.0605 0.3688 0.3688 4.5359 4.5359 5.3873 5.3873 7.7064 7.7064 7.9835 7.9835 8.2742 8.2742 8.4322 8.4322 8.9876 8.9876 9.5892 9.5892 9.6966 9.6966 9.7726 9.7726 9.8020 9.8020 10.0037 10.0037 11.1021 11.1021 12.3653 12.3653 13.1512 13.1512 13.9448 13.9448 15.6035 15.6035 k = 0.5000 0.2887 0.2258 ( 1756 PWs) bands (ev): 0.0413 0.0413 0.3750 0.3750 4.5343 4.5343 5.4692 5.4692 7.6860 7.6860 7.9594 7.9594 8.3073 8.3073 8.4359 8.4359 8.9449 8.9449 9.5877 9.5877 9.7013 9.7013 9.7785 9.7785 9.8052 9.8052 10.0155 10.0155 11.0210 11.0210 12.2736 12.2736 13.2718 13.2718 13.9267 13.9267 15.5821 15.5821 k = 0.5000 0.2887 0.2145 ( 1756 PWs) bands (ev): 0.0224 0.0224 0.3802 0.3802 4.5360 4.5360 5.5540 5.5540 7.6665 7.6665 7.9367 7.9367 8.3391 8.3391 8.4373 8.4373 8.9016 8.9016 9.5843 9.5843 9.7027 9.7027 9.7845 9.7845 9.8122 9.8122 10.0271 10.0271 10.9422 10.9422 12.1843 12.1843 13.3934 13.3934 13.8896 13.8896 15.5856 15.5856 k = 0.5000 0.2887 0.2032 ( 1756 PWs) bands (ev): 0.0040 0.0040 0.3845 0.3845 4.5406 4.5406 5.6417 5.6417 7.6480 7.6480 7.9157 7.9157 8.3669 8.3669 8.4384 8.4384 8.8579 8.8579 9.5797 9.5797 9.7013 9.7013 9.7895 9.7895 9.8227 9.8227 10.0385 10.0385 10.8658 10.8658 12.0978 12.0978 13.5154 13.5154 13.8371 13.8371 15.6117 15.6117 k = 0.5000 0.2887 0.1919 ( 1752 PWs) bands (ev): -0.0140 -0.0140 0.3879 0.3879 4.5478 4.5478 5.7319 5.7319 7.6306 7.6306 7.8963 7.8963 8.3833 8.3833 8.4464 8.4464 8.8141 8.8141 9.5744 9.5744 9.6979 9.6979 9.7933 9.7933 9.8352 9.8352 10.0497 10.0497 10.7919 10.7919 12.0145 12.0145 13.6344 13.6344 13.7761 13.7761 15.6574 15.6574 k = 0.5000 0.2887 0.1806 ( 1752 PWs) bands (ev): -0.0313 -0.0313 0.3905 0.3905 4.5574 4.5574 5.8246 5.8246 7.6139 7.6139 7.8788 7.8788 8.3816 8.3816 8.4670 8.4670 8.7707 8.7707 9.5688 9.5688 9.6934 9.6934 9.7962 9.7962 9.8485 9.8485 10.0604 10.0604 10.7208 10.7208 11.9346 11.9346 13.6785 13.6785 13.7824 13.7824 15.7190 15.7190 k = 0.5000 0.2887 0.1694 ( 1748 PWs) bands (ev): -0.0480 -0.0480 0.3924 0.3924 4.5691 4.5691 5.9195 5.9195 7.5982 7.5982 7.8634 7.8634 8.3672 8.3672 8.4935 8.4935 8.7288 8.7288 9.5630 9.5630 9.6883 9.6883 9.7981 9.7981 9.8616 9.8616 10.0709 10.0709 10.6526 10.6526 11.8585 11.8585 13.6083 13.6083 13.8988 13.8988 15.7934 15.7934 k = 0.5000 0.2887 0.1581 ( 1748 PWs) bands (ev): -0.0639 -0.0639 0.3936 0.3936 4.5825 4.5825 6.0164 6.0164 7.5834 7.5834 7.8501 7.8501 8.3449 8.3449 8.5180 8.5180 8.6912 8.6912 9.5573 9.5573 9.6829 9.6829 9.7990 9.7990 9.8739 9.8739 10.0809 10.0809 10.5872 10.5872 11.7864 11.7864 13.5288 13.5288 14.0229 14.0229 15.8781 15.8781 k = 0.5000 0.2887 0.1468 ( 1748 PWs) bands (ev): -0.0790 -0.0790 0.3943 0.3943 4.5972 4.5972 6.1152 6.1152 7.5696 7.5696 7.8392 7.8392 8.3162 8.3162 8.5315 8.5315 8.6654 8.6654 9.5516 9.5516 9.6775 9.6775 9.7988 9.7988 9.8852 9.8852 10.0905 10.0905 10.5250 10.5250 11.7185 11.7185 13.4489 13.4489 14.1480 14.1480 15.9709 15.9709 k = 0.5000 0.2887 0.1355 ( 1752 PWs) bands (ev): -0.0932 -0.0932 0.3945 0.3945 4.6129 4.6129 6.2155 6.2155 7.5568 7.5568 7.8308 7.8308 8.2815 8.2815 8.5222 8.5222 8.6626 8.6626 9.5460 9.5460 9.6722 9.6722 9.7975 9.7975 9.8953 9.8953 10.0994 10.0994 10.4664 10.4664 11.6550 11.6550 13.3710 13.3710 14.2728 14.2728 16.0701 16.0701 k = 0.5000 0.2887 0.1242 ( 1748 PWs) bands (ev): -0.1066 -0.1066 0.3944 0.3944 4.6292 4.6292 6.3173 6.3173 7.5451 7.5451 7.8248 7.8248 8.2410 8.2410 8.4922 8.4922 8.6803 8.6803 9.5408 9.5408 9.6672 9.6672 9.7949 9.7949 9.9042 9.9042 10.1079 10.1079 10.4116 10.4116 11.5962 11.5962 13.2968 13.2968 14.3966 14.3966 16.1743 16.1743 k = 0.5000 0.2887 0.1129 ( 1742 PWs) bands (ev): -0.1189 -0.1189 0.3939 0.3939 4.6458 4.6458 6.4201 6.4201 7.5344 7.5344 7.8215 7.8215 8.1948 8.1948 8.4532 8.4532 8.7072 8.7072 9.5358 9.5358 9.6624 9.6624 9.7910 9.7910 9.9119 9.9119 10.1157 10.1157 10.3609 10.3609 11.5421 11.5421 13.2273 13.2273 14.5187 14.5187 16.2824 16.2824 k = 0.5000 0.2887 0.1016 ( 1742 PWs) bands (ev): -0.1302 -0.1302 0.3932 0.3932 4.6622 4.6622 6.5237 6.5237 7.5246 7.5246 7.8206 7.8206 8.1430 8.1430 8.4109 8.4109 8.7369 8.7369 9.5312 9.5312 9.6578 9.6578 9.7855 9.7855 9.9184 9.9184 10.1228 10.1228 10.3148 10.3148 11.4929 11.4929 13.1634 13.1634 14.6380 14.6380 16.3795 16.3795 k = 0.5000 0.2887 0.0903 ( 1742 PWs) bands (ev): -0.1404 -0.1404 0.3923 0.3923 4.6780 4.6780 6.6280 6.6280 7.5158 7.5158 7.8222 7.8222 8.0858 8.0858 8.3679 8.3679 8.7672 8.7672 9.5269 9.5269 9.6536 9.6536 9.7785 9.7785 9.9238 9.9238 10.1292 10.1292 10.2737 10.2737 11.4488 11.4488 13.1056 13.1056 14.7534 14.7534 16.3601 16.3601 k = 0.5000 0.2887 0.0790 ( 1742 PWs) bands (ev): -0.1495 -0.1495 0.3914 0.3914 4.6930 4.6930 6.7324 6.7324 7.5081 7.5081 7.8257 7.8257 8.0238 8.0238 8.3255 8.3255 8.7968 8.7968 9.5231 9.5231 9.6497 9.6497 9.7701 9.7701 9.9281 9.9281 10.1347 10.1347 10.2378 10.2378 11.4097 11.4097 13.0542 13.0542 14.8636 14.8636 16.3404 16.3404 k = 0.5000 0.2887 0.0677 ( 1734 PWs) bands (ev): -0.1574 -0.1574 0.3905 0.3905 4.7069 4.7069 6.8369 6.8369 7.5014 7.5014 7.8297 7.8297 7.9583 7.9583 8.2847 8.2847 8.8247 8.8247 9.5197 9.5197 9.6461 9.6461 9.7608 9.7608 9.9316 9.9316 10.1396 10.1396 10.2073 10.2073 11.3757 11.3757 13.0095 13.0095 14.9669 14.9669 16.3233 16.3233 k = 0.5000 0.2887 0.0565 ( 1736 PWs) bands (ev): -0.1642 -0.1642 0.3896 0.3896 4.7191 4.7191 6.9408 6.9408 7.4958 7.4958 7.8269 7.8269 7.8967 7.8967 8.2462 8.2462 8.8502 8.8502 9.5168 9.5168 9.6427 9.6427 9.7507 9.7507 9.9342 9.9342 10.1432 10.1432 10.1824 10.1824 11.3469 11.3469 12.9716 12.9716 15.0612 15.0612 16.3088 16.3088 k = 0.5000 0.2887 0.0452 ( 1744 PWs) bands (ev): -0.1698 -0.1698 0.3888 0.3888 4.7295 4.7295 7.0440 7.0440 7.4912 7.4912 7.7841 7.7841 7.8718 7.8718 8.2111 8.2111 8.8726 8.8726 9.5142 9.5142 9.6397 9.6397 9.7408 9.7408 9.9361 9.9361 10.1445 10.1445 10.1642 10.1642 11.3233 11.3233 12.9405 12.9405 15.1440 15.1440 16.2969 16.2969 k = 0.5000 0.2887 0.0339 ( 1750 PWs) bands (ev): -0.1742 -0.1742 0.3881 0.3881 4.7379 4.7379 7.1460 7.1460 7.4875 7.4875 7.7087 7.7087 7.8756 7.8756 8.1806 8.1806 8.8910 8.8910 9.5121 9.5121 9.6370 9.6370 9.7319 9.7319 9.9374 9.9374 10.1399 10.1399 10.1562 10.1562 11.3050 11.3050 12.9164 12.9164 15.2126 15.2126 16.2876 16.2876 k = 0.5000 0.2887 0.0226 ( 1744 PWs) bands (ev): -0.1773 -0.1773 0.3876 0.3876 4.7440 4.7440 7.2464 7.2464 7.4851 7.4851 7.6244 7.6244 7.8837 7.8837 8.1564 8.1564 8.9049 8.9049 9.5108 9.5108 9.6350 9.6350 9.7248 9.7248 9.9385 9.9385 10.1320 10.1320 10.1556 10.1556 11.2918 11.2918 12.8992 12.8992 15.2643 15.2643 16.2810 16.2810 k = 0.5000 0.2887 0.0113 ( 1742 PWs) bands (ev): -0.1792 -0.1792 0.3873 0.3873 4.7478 4.7478 7.3444 7.3444 7.4836 7.4836 7.5355 7.5355 7.8902 7.8902 8.1405 8.1405 8.9134 8.9134 9.5099 9.5099 9.6337 9.6337 9.7203 9.7203 9.9390 9.9390 10.1265 10.1265 10.1561 10.1561 11.2840 11.2840 12.8889 12.8889 15.2964 15.2964 16.2771 16.2771 k = 0.5000 0.2887-0.0000 ( 1746 PWs) bands (ev): -0.1798 -0.1798 0.3872 0.3872 4.7490 4.7490 7.4275 7.4275 7.4553 7.4553 7.4830 7.4830 7.8927 7.8927 8.1349 8.1349 8.9163 8.9163 9.5096 9.5096 9.6332 9.6332 9.7187 9.7187 9.9392 9.9392 10.1246 10.1246 10.1563 10.1563 11.2813 11.2813 12.8855 12.8855 15.3074 15.3074 16.2758 16.2758 k = 0.3333 0.5774-0.0000 ( 1773 PWs) bands (ev): 0.3959 0.3959 0.4048 0.4048 4.6513 4.6513 6.3944 6.3944 6.4442 6.4442 7.8410 7.8410 7.8812 7.8812 8.7404 8.7404 8.9570 8.9570 9.5619 9.5619 9.7493 9.7493 10.0015 10.0015 10.0330 10.0330 10.0780 10.0780 11.0969 11.0969 11.1869 11.1869 12.1193 12.1193 12.1357 12.1357 14.8822 14.8822 k = 0.3333 0.5774 0.0113 ( 1773 PWs) bands (ev): 0.3962 0.3962 0.4051 0.4051 4.6529 4.6529 6.3918 6.3918 6.4416 6.4416 7.8426 7.8426 7.8827 7.8827 8.7347 8.7347 8.9576 8.9576 9.5619 9.5619 9.7488 9.7488 10.0018 10.0018 10.0328 10.0328 10.0780 10.0780 11.0923 11.0923 11.1819 11.1819 12.1285 12.1285 12.1444 12.1444 14.8900 14.8900 k = 0.3333 0.5774 0.0226 ( 1773 PWs) bands (ev): 0.3970 0.3970 0.4059 0.4059 4.6577 4.6577 6.3839 6.3839 6.4337 6.4337 7.8473 7.8473 7.8873 7.8873 8.7177 8.7177 8.9595 8.9595 9.5616 9.5616 9.7472 9.7472 10.0029 10.0029 10.0324 10.0324 10.0781 10.0781 11.0790 11.0790 11.1674 11.1674 12.1556 12.1556 12.1699 12.1699 14.9134 14.9134 k = 0.3333 0.5774 0.0339 ( 1755 PWs) bands (ev): 0.3983 0.3983 0.4072 0.4072 4.6658 4.6658 6.3710 6.3710 6.4209 6.4209 7.8550 7.8550 7.8947 7.8947 8.6897 8.6897 8.9627 8.9627 9.5615 9.5615 9.7449 9.7449 10.0048 10.0048 10.0318 10.0318 10.0783 10.0783 11.0581 11.0581 11.1451 11.1451 12.1991 12.1991 12.2111 12.2111 14.9520 14.9520 k = 0.3333 0.5774 0.0452 ( 1755 PWs) bands (ev): 0.4001 0.4001 0.4091 0.4091 4.6772 4.6772 6.3534 6.3534 6.4033 6.4033 7.8655 7.8655 7.9048 7.9048 8.6512 8.6512 8.9672 8.9672 9.5609 9.5609 9.7411 9.7411 10.0072 10.0072 10.0305 10.0305 10.0785 10.0785 11.0313 11.0313 11.1167 11.1167 12.2568 12.2568 12.2661 12.2661 15.0055 15.0055 k = 0.3333 0.5774 0.0565 ( 1749 PWs) bands (ev): 0.4025 0.4025 0.4114 0.4114 4.6917 4.6917 6.3314 6.3314 6.3813 6.3813 7.8785 7.8785 7.9173 7.9173 8.6030 8.6030 8.9732 8.9732 9.5601 9.5601 9.7364 9.7364 10.0100 10.0100 10.0288 10.0288 10.0789 10.0789 11.0002 11.0002 11.0843 11.0843 12.3266 12.3266 12.3333 12.3333 15.0735 15.0735 k = 0.3333 0.5774 0.0677 ( 1749 PWs) bands (ev): 0.4053 0.4053 0.4142 0.4142 4.7095 4.7095 6.3055 6.3055 6.3554 6.3554 7.8935 7.8935 7.9318 7.9318 8.5457 8.5457 8.9803 8.9803 9.5590 9.5590 9.7306 9.7306 10.0122 10.0122 10.0274 10.0274 10.0794 10.0794 10.9664 10.9664 11.0493 11.0493 12.4069 12.4069 12.4109 12.4109 15.1552 15.1552 k = 0.3333 0.5774 0.0790 ( 1752 PWs) bands (ev): 0.4085 0.4085 0.4175 0.4175 4.7304 4.7304 6.2762 6.2762 6.3262 6.3262 7.9103 7.9103 7.9479 7.9479 8.4805 8.4805 8.9885 8.9885 9.5576 9.5576 9.7237 9.7237 10.0119 10.0119 10.0281 10.0281 10.0800 10.0800 10.9309 10.9309 11.0131 11.0131 12.4962 12.4962 12.4975 12.4975 15.2501 15.2501 k = 0.3333 0.5774 0.0903 ( 1752 PWs) bands (ev): 0.4122 0.4122 0.4212 0.4212 4.7546 4.7546 6.2441 6.2441 6.2940 6.2940 7.9286 7.9286 7.9652 7.9652 8.4081 8.4081 8.9983 8.9983 9.5558 9.5558 9.7159 9.7159 10.0078 10.0078 10.0320 10.0320 10.0810 10.0810 10.8947 10.8947 10.9766 10.9766 12.5921 12.5921 12.5932 12.5932 15.3573 15.3573 k = 0.3333 0.5774 0.1016 ( 1752 PWs) bands (ev): 0.4163 0.4163 0.4253 0.4253 4.7820 4.7820 6.2096 6.2096 6.2595 6.2595 7.9479 7.9479 7.9833 7.9833 8.3297 8.3297 9.0094 9.0094 9.5537 9.5537 9.7073 9.7073 10.0009 10.0009 10.0380 10.0380 10.0823 10.0823 10.8586 10.8586 10.9403 10.9403 12.6936 12.6936 12.6971 12.6971 15.4762 15.4762 k = 0.3333 0.5774 0.1129 ( 1755 PWs) bands (ev): 0.4207 0.4207 0.4298 0.4298 4.8125 4.8125 6.1732 6.1732 6.2232 6.2232 7.9679 7.9679 8.0015 8.0015 8.2464 8.2464 9.0217 9.0217 9.5511 9.5511 9.6977 9.6977 9.9920 9.9920 10.0453 10.0453 10.0840 10.0840 10.8228 10.8228 10.9047 10.9047 12.8013 12.8013 12.8071 12.8071 15.6061 15.6061 k = 0.3333 0.5774 0.1242 ( 1749 PWs) bands (ev): 0.4254 0.4254 0.4345 0.4345 4.8461 4.8461 6.1355 6.1355 6.1854 6.1854 7.9885 7.9885 8.0180 8.0180 8.1606 8.1606 9.0352 9.0352 9.5482 9.5482 9.6876 9.6876 9.9813 9.9813 10.0536 10.0536 10.0863 10.0863 10.7880 10.7880 10.8701 10.8701 12.9145 12.9145 12.9226 12.9226 15.7461 15.7461 k = 0.3333 0.5774 0.1355 ( 1740 PWs) bands (ev): 0.4304 0.4304 0.4396 0.4396 4.8829 4.8829 6.0970 6.0970 6.1469 6.1469 8.0094 8.0094 8.0189 8.0189 8.0867 8.0867 9.0499 9.0499 9.5447 9.5447 9.6767 9.6767 9.9691 9.9691 10.0627 10.0627 10.0890 10.0890 10.7542 10.7542 10.8367 10.8367 13.0326 13.0326 13.0429 13.0429 15.8956 15.8956 k = 0.3333 0.5774 0.1468 ( 1740 PWs) bands (ev): 0.4356 0.4356 0.4448 0.4448 4.9228 4.9228 6.0579 6.0579 6.1078 6.1078 7.9526 7.9526 8.0301 8.0301 8.0766 8.0766 9.0658 9.0658 9.5407 9.5407 9.6653 9.6653 9.9552 9.9552 10.0726 10.0726 10.0923 10.0923 10.7215 10.7215 10.8046 10.8046 13.1549 13.1549 13.1676 13.1676 16.0540 16.0540 k = 0.3333 0.5774 0.1581 ( 1734 PWs) bands (ev): 0.4410 0.4410 0.4503 0.4503 4.9658 4.9658 6.0188 6.0188 6.0687 6.0687 7.8581 7.8581 8.0508 8.0508 8.0920 8.0920 9.0827 9.0827 9.5363 9.5363 9.6534 9.6534 9.9397 9.9397 10.0831 10.0831 10.0963 10.0963 10.6902 10.6902 10.7737 10.7737 13.2811 13.2811 13.2961 13.2961 16.2205 16.2205 k = 0.3333 0.5774 0.1694 ( 1734 PWs) bands (ev): 0.4464 0.4464 0.4558 0.4558 5.0119 5.0119 5.9800 5.9800 6.0299 6.0299 7.7582 7.7582 8.0709 8.0709 8.1101 8.1101 9.1007 9.1007 9.5314 9.5314 9.6413 9.6413 9.9228 9.9228 10.0942 10.0942 10.1009 10.1009 10.6601 10.6601 10.7441 10.7441 13.4105 13.4105 13.4279 13.4279 16.3946 16.3946 k = 0.3333 0.5774 0.1806 ( 1737 PWs) bands (ev): 0.4520 0.4520 0.4614 0.4614 5.0609 5.0609 5.9419 5.9419 5.9917 5.9917 7.6559 7.6559 8.0905 8.0905 8.1286 8.1286 9.1195 9.1195 9.5262 9.5262 9.6289 9.6289 9.9046 9.9046 10.1059 10.1059 10.1061 10.1061 10.6312 10.6312 10.7157 10.7157 13.5425 13.5425 13.5625 13.5625 16.5758 16.5758 k = 0.3333 0.5774 0.1919 ( 1746 PWs) bands (ev): 0.4575 0.4575 0.4669 0.4669 5.1130 5.1130 5.9047 5.9047 5.9545 5.9545 7.5520 7.5520 8.1093 8.1093 8.1467 8.1467 9.1393 9.1393 9.5206 9.5206 9.6165 9.6165 9.8850 9.8850 10.1119 10.1119 10.1179 10.1179 10.6037 10.6037 10.6885 10.6885 13.6764 13.6764 13.6991 13.6991 16.7634 16.7634 k = 0.3333 0.5774 0.2032 ( 1752 PWs) bands (ev): 0.4630 0.4630 0.4725 0.4725 5.1680 5.1680 5.8689 5.8689 5.9187 5.9187 7.4473 7.4473 8.1274 8.1274 8.1642 8.1642 9.1601 9.1601 9.5146 9.5146 9.6040 9.6040 9.8643 9.8643 10.1184 10.1184 10.1304 10.1304 10.5774 10.5774 10.6626 10.6626 13.8117 13.8117 13.8373 13.8373 16.9571 16.9571 k = 0.3333 0.5774 0.2145 ( 1746 PWs) bands (ev): 0.4683 0.4683 0.4779 0.4779 5.2259 5.2259 5.8347 5.8347 5.8844 5.8844 7.3421 7.3421 8.1446 8.1446 8.1810 8.1810 9.1818 9.1818 9.5087 9.5087 9.5920 9.5920 9.8427 9.8427 10.1256 10.1256 10.1433 10.1433 10.5526 10.5526 10.6379 10.6379 13.9476 13.9476 13.9761 13.9761 17.1563 17.1563 k = 0.3333 0.5774 0.2258 ( 1740 PWs) bands (ev): 0.4735 0.4735 0.4831 0.4831 5.2867 5.2867 5.8022 5.8022 5.8520 5.8520 7.2367 7.2367 8.1608 8.1608 8.1969 8.1969 9.2042 9.2042 9.5027 9.5027 9.5804 9.5804 9.8201 9.8201 10.1336 10.1336 10.1567 10.1567 10.5287 10.5287 10.6141 10.6141 14.0830 14.0830 14.1147 14.1147 17.3606 17.3606 k = 0.3333 0.5774 0.2371 ( 1734 PWs) bands (ev): 0.4785 0.4785 0.4882 0.4882 5.3503 5.3503 5.7718 5.7718 5.8218 5.8218 7.1316 7.1316 8.1760 8.1760 8.2118 8.2118 9.2273 9.2273 9.4967 9.4967 9.5692 9.5692 9.7970 9.7970 10.1419 10.1419 10.1701 10.1701 10.5062 10.5062 10.5915 10.5915 14.2169 14.2169 14.2521 14.2521 17.5696 17.5696 k = 0.3333 0.5774 0.2484 ( 1734 PWs) bands (ev): 0.4832 0.4832 0.4929 0.4929 5.4166 5.4166 5.7437 5.7437 5.7938 5.7938 7.0270 7.0270 8.1899 8.1899 8.2256 8.2256 9.2508 9.2508 9.4909 9.4909 9.5587 9.5587 9.7730 9.7730 10.1507 10.1507 10.1835 10.1835 10.4847 10.4847 10.5699 10.5699 14.3482 14.3482 14.3869 14.3869 17.7827 17.7827 k = 0.3333 0.5774 0.2597 ( 1734 PWs) bands (ev): 0.4875 0.4875 0.4973 0.4973 5.4855 5.4855 5.7181 5.7181 5.7686 5.7686 6.9232 6.9232 8.2026 8.2026 8.2382 8.2382 9.2747 9.2747 9.4853 9.4853 9.5490 9.5490 9.7485 9.7485 10.1598 10.1598 10.1970 10.1970 10.4645 10.4645 10.5495 10.5495 14.4751 14.4751 14.5177 14.5177 17.9994 17.9994 k = 0.3333 0.5774 0.2710 ( 1728 PWs) bands (ev): 0.4915 0.4915 0.5013 0.5013 5.5565 5.5565 5.6951 5.6951 5.7464 5.7464 6.8204 6.8204 8.2141 8.2141 8.2497 8.2497 9.2985 9.2985 9.4802 9.4802 9.5402 9.5402 9.7238 9.7238 10.1692 10.1692 10.2103 10.2103 10.4457 10.4457 10.5303 10.5303 14.5962 14.5962 14.6427 14.6427 18.2193 18.2193 k = 0.3333 0.5774 0.2823 ( 1728 PWs) bands (ev): 0.4951 0.4951 0.5049 0.5049 5.6283 5.6283 5.6748 5.6748 5.7288 5.7288 6.7189 6.7189 8.2242 8.2242 8.2597 8.2597 9.3226 9.3226 9.4755 9.4755 9.5324 9.5324 9.6989 9.6989 10.1786 10.1786 10.2232 10.2232 10.4281 10.4281 10.5123 10.5123 14.7091 14.7091 14.7597 14.7597 18.4412 18.4412 k = 0.3333 0.5774 0.2935 ( 1728 PWs) bands (ev): 0.4981 0.4981 0.5079 0.5079 5.6574 5.6574 5.6852 5.6852 5.7315 5.7315 6.6188 6.6188 8.2327 8.2327 8.2682 8.2682 9.3466 9.3466 9.4713 9.4713 9.5258 9.5258 9.6743 9.6743 10.1880 10.1880 10.2356 10.2356 10.4120 10.4120 10.4957 10.4957 14.8116 14.8116 14.8662 14.8662 18.6625 18.6625 k = 0.3333 0.5774 0.3048 ( 1734 PWs) bands (ev): 0.5006 0.5006 0.5105 0.5105 5.6430 5.6430 5.6862 5.6862 5.7955 5.7955 6.5204 6.5204 8.2397 8.2397 8.2753 8.2753 9.3694 9.3694 9.4677 9.4677 9.5204 9.5204 9.6504 9.6504 10.1967 10.1967 10.2469 10.2469 10.3978 10.3978 10.4810 10.4810 14.9010 14.9010 14.9595 14.9595 18.7782 18.7782 k = 0.3333 0.5774 0.3161 ( 1734 PWs) bands (ev): 0.5027 0.5027 0.5126 0.5126 5.6317 5.6317 5.6772 5.6772 5.8745 5.8745 6.4242 6.4242 8.2453 8.2453 8.2809 8.2809 9.3904 9.3904 9.4648 9.4648 9.5165 9.5165 9.6283 9.6283 10.2045 10.2045 10.2568 10.2568 10.3858 10.3858 10.4685 10.4685 14.9745 14.9745 15.0365 15.0365 18.6946 18.6946 k = 0.3333 0.5774 0.3274 ( 1728 PWs) bands (ev): 0.5041 0.5041 0.5140 0.5140 5.6237 5.6237 5.6698 5.6698 5.9564 5.9564 6.3309 6.3309 8.2493 8.2493 8.2849 8.2849 9.4082 9.4082 9.4628 9.4628 9.5143 9.5143 9.6092 9.6092 10.2108 10.2108 10.2647 10.2647 10.3766 10.3766 10.4590 10.4590 15.0295 15.0295 15.0942 15.0942 18.6270 18.6270 k = 0.3333 0.5774 0.3387 ( 1728 PWs) bands (ev): 0.5050 0.5050 0.5149 0.5149 5.6188 5.6188 5.6653 5.6653 6.0372 6.0372 6.2434 6.2434 8.2517 8.2517 8.2874 8.2874 9.4205 9.4205 9.4615 9.4615 9.5135 9.5135 9.5955 9.5955 10.2149 10.2149 10.2698 10.2698 10.3707 10.3707 10.4529 10.4529 15.0636 15.0636 15.1301 15.1301 18.5847 18.5847 k = 0.3333 0.5774 0.3500 ( 1728 PWs) bands (ev): 0.5053 0.5053 0.5152 0.5152 5.6172 5.6172 5.6637 5.6637 6.0896 6.0896 6.1888 6.1888 8.2525 8.2525 8.2882 8.2882 9.4250 9.4250 9.4611 9.4611 9.5134 9.5134 9.5903 9.5903 10.2164 10.2164 10.2715 10.2715 10.3687 10.3687 10.4507 10.4507 15.0751 15.0751 15.1422 15.1422 18.5704 18.5704 Writing output data file NiAs.save init_run : 0.13s CPU 0.23s WALL ( 1 calls) electrons : 78.50s CPU 80.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 78.50s CPU 80.31s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 382 calls) cegterg : 71.98s CPU 73.33s WALL ( 500 calls) Called by sum_band: Called by *egterg: h_psi : 34.97s CPU 36.29s WALL ( 7977 calls) s_psi : 2.81s CPU 2.75s WALL ( 7977 calls) g_psi : 0.05s CPU 0.08s WALL ( 7095 calls) cdiaghg : 34.07s CPU 34.05s WALL ( 7477 calls) cegterg:over : 2.17s CPU 2.24s WALL ( 7095 calls) cegterg:upda : 1.31s CPU 1.42s WALL ( 7095 calls) cegterg:last : 0.78s CPU 0.86s WALL ( 1264 calls) cdiaghg:chol : 1.77s CPU 1.70s WALL ( 7477 calls) cdiaghg:inve : 0.86s CPU 0.96s WALL ( 7477 calls) cdiaghg:para : 1.82s CPU 1.91s WALL ( 14954 calls) Called by h_psi: h_psi:vloc : 30.72s CPU 31.77s WALL ( 7977 calls) h_psi:vnl : 4.21s CPU 4.47s WALL ( 7977 calls) add_vuspsi : 2.20s CPU 2.33s WALL ( 7977 calls) General routines calbec : 1.98s CPU 2.12s WALL ( 7977 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.04s CPU 30.03s WALL ( 632160 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 764 calls) Parallel routines fft_scatter : 12.68s CPU 13.24s WALL ( 632183 calls) PWSCF : 1m28.20s CPU 1m41.02s WALL This run was terminated on: 13:18:13 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=