Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:14:41 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: ./TiSe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 27 8 1235 1235 191 Max 29 29 10 1240 1240 198 Sum 1003 1003 295 44545 44545 6967 bravais-lattice index = 14 lattice parameter (alat) = 6.7255 a.u. unit-cell volume = 460.4405 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.725535 celldm(2)= 1.000000 celldm(3)= 1.747682 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 1.747682 ) 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 0.572186 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ti 12.00 47.86700 Ti( 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 ) ( -0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( -0.8738410 ) 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 ) ( -0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( -0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( 0.8738410 ) 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 ) ( -0.8738410 ) 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 ) ( -0.8738410 ) 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= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027248 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027248 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027248 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027248 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027248 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027248 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027248 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027248 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027248 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027248 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027248 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027248 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027248 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027248 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027248 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027248 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027248 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027248 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027248 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027248 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027248 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027248 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027248 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027248 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027248 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027248 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027248 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027248 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027248 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027248 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027248 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027248 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027248 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027248 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027248 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027248 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027248 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027248 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0027248 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0027248 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0027248 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0027248 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0027248 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0027248 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0027248 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0027248 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0027248 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027248 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0027248 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0027248 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0027248 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0027248 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027248 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0027248 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0027248 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0027248 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0027248 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0027248 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0027248 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0027248 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0027248 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0027248 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0027248 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0027248 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0027248 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0027248 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0027248 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0027248 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0027248 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0027248 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0027248 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0027248 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0027248 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0027248 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0027248 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0027248 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0027248 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0027248 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0027248 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0027248 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0027248 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0027248 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0027248 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0027248 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0027248 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0027248 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0027248 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0027248 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0027248 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0027248 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0027248 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0027248 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0027248 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0027248 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0027248 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0027248 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0027248 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0027248 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0027248 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0027248 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0027248 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0027248 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0027248 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0027248 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0027248 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0027248 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0027248 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0027248 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0027248 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0027248 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0027248 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0027248 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0027248 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0027248 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0027248 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0027248 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0110036), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0220072), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0330108), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.0440143), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.0550179), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.0660215), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.0770251), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.0880287), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.0990323), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.1100359), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.1210395), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.1320430), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.1430466), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.1540502), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.1650538), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.1760574), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.1870610), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.1980646), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.2090681), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.2200717), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.2310753), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.2420789), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.2530825), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.2640861), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.2750897), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.2860932), wk = 0.0027248 k( 171) = ( 0.0000000 0.0000000 0.2860932), wk = 0.0027248 k( 172) = ( 0.0098039 0.0056603 0.2860932), wk = 0.0027248 k( 173) = ( 0.0196078 0.0113206 0.2860932), wk = 0.0027248 k( 174) = ( 0.0294118 0.0169809 0.2860932), wk = 0.0027248 k( 175) = ( 0.0392157 0.0226412 0.2860932), wk = 0.0027248 k( 176) = ( 0.0490196 0.0283015 0.2860932), wk = 0.0027248 k( 177) = ( 0.0588235 0.0339618 0.2860932), wk = 0.0027248 k( 178) = ( 0.0686275 0.0396221 0.2860932), wk = 0.0027248 k( 179) = ( 0.0784314 0.0452824 0.2860932), wk = 0.0027248 k( 180) = ( 0.0882353 0.0509427 0.2860932), wk = 0.0027248 k( 181) = ( 0.0980392 0.0566030 0.2860932), wk = 0.0027248 k( 182) = ( 0.1078431 0.0622633 0.2860932), wk = 0.0027248 k( 183) = ( 0.1176471 0.0679236 0.2860932), wk = 0.0027248 k( 184) = ( 0.1274510 0.0735839 0.2860932), wk = 0.0027248 k( 185) = ( 0.1372549 0.0792442 0.2860932), wk = 0.0027248 k( 186) = ( 0.1470588 0.0849044 0.2860932), wk = 0.0027248 k( 187) = ( 0.1568627 0.0905648 0.2860932), wk = 0.0027248 k( 188) = ( 0.1666667 0.0962250 0.2860932), wk = 0.0027248 k( 189) = ( 0.1764706 0.1018853 0.2860932), wk = 0.0027248 k( 190) = ( 0.1862745 0.1075456 0.2860932), wk = 0.0027248 k( 191) = ( 0.1960784 0.1132059 0.2860932), wk = 0.0027248 k( 192) = ( 0.2058823 0.1188662 0.2860932), wk = 0.0027248 k( 193) = ( 0.2156863 0.1245265 0.2860932), wk = 0.0027248 k( 194) = ( 0.2254902 0.1301868 0.2860932), wk = 0.0027248 k( 195) = ( 0.2352941 0.1358471 0.2860932), wk = 0.0027248 k( 196) = ( 0.2450980 0.1415074 0.2860932), wk = 0.0027248 k( 197) = ( 0.2549020 0.1471677 0.2860932), wk = 0.0027248 k( 198) = ( 0.2647059 0.1528280 0.2860932), wk = 0.0027248 k( 199) = ( 0.2745098 0.1584883 0.2860932), wk = 0.0027248 k( 200) = ( 0.2843137 0.1641486 0.2860932), wk = 0.0027248 k( 201) = ( 0.2941177 0.1698089 0.2860932), wk = 0.0027248 k( 202) = ( 0.3039216 0.1754692 0.2860932), wk = 0.0027248 k( 203) = ( 0.3137255 0.1811295 0.2860932), wk = 0.0027248 k( 204) = ( 0.3235294 0.1867898 0.2860932), wk = 0.0027248 k( 205) = ( 0.3333333 0.1924501 0.2860932), wk = 0.0027248 k( 206) = ( 0.3431373 0.1981104 0.2860932), wk = 0.0027248 k( 207) = ( 0.3529412 0.2037707 0.2860932), wk = 0.0027248 k( 208) = ( 0.3627451 0.2094310 0.2860932), wk = 0.0027248 k( 209) = ( 0.3725490 0.2150913 0.2860932), wk = 0.0027248 k( 210) = ( 0.3823529 0.2207516 0.2860932), wk = 0.0027248 k( 211) = ( 0.3921569 0.2264119 0.2860932), wk = 0.0027248 k( 212) = ( 0.4019608 0.2320722 0.2860932), wk = 0.0027248 k( 213) = ( 0.4117647 0.2377325 0.2860932), wk = 0.0027248 k( 214) = ( 0.4215686 0.2433928 0.2860932), wk = 0.0027248 k( 215) = ( 0.4313726 0.2490531 0.2860932), wk = 0.0027248 k( 216) = ( 0.4411765 0.2547134 0.2860932), wk = 0.0027248 k( 217) = ( 0.4509804 0.2603736 0.2860932), wk = 0.0027248 k( 218) = ( 0.4607843 0.2660339 0.2860932), wk = 0.0027248 k( 219) = ( 0.4705882 0.2716942 0.2860932), wk = 0.0027248 k( 220) = ( 0.4803922 0.2773545 0.2860932), wk = 0.0027248 k( 221) = ( 0.4901961 0.2830148 0.2860932), wk = 0.0027248 k( 222) = ( 0.5000000 0.2886751 0.2860932), wk = 0.0027248 k( 223) = ( 0.5000000 0.2886751 0.2860932), wk = 0.0027248 k( 224) = ( 0.4944444 0.2982976 0.2860932), wk = 0.0027248 k( 225) = ( 0.4888889 0.3079201 0.2860932), wk = 0.0027248 k( 226) = ( 0.4833333 0.3175426 0.2860932), wk = 0.0027248 k( 227) = ( 0.4777778 0.3271651 0.2860932), wk = 0.0027248 k( 228) = ( 0.4722222 0.3367877 0.2860932), wk = 0.0027248 k( 229) = ( 0.4666667 0.3464102 0.2860932), wk = 0.0027248 k( 230) = ( 0.4611111 0.3560327 0.2860932), wk = 0.0027248 k( 231) = ( 0.4555556 0.3656552 0.2860932), wk = 0.0027248 k( 232) = ( 0.4500000 0.3752777 0.2860932), wk = 0.0027248 k( 233) = ( 0.4444444 0.3849002 0.2860932), wk = 0.0027248 k( 234) = ( 0.4388889 0.3945227 0.2860932), wk = 0.0027248 k( 235) = ( 0.4333333 0.4041452 0.2860932), wk = 0.0027248 k( 236) = ( 0.4277778 0.4137677 0.2860932), wk = 0.0027248 k( 237) = ( 0.4222222 0.4233902 0.2860932), wk = 0.0027248 k( 238) = ( 0.4166667 0.4330127 0.2860932), wk = 0.0027248 k( 239) = ( 0.4111111 0.4426352 0.2860932), wk = 0.0027248 k( 240) = ( 0.4055556 0.4522577 0.2860932), wk = 0.0027248 k( 241) = ( 0.4000000 0.4618802 0.2860932), wk = 0.0027248 k( 242) = ( 0.3944444 0.4715027 0.2860932), wk = 0.0027248 k( 243) = ( 0.3888889 0.4811252 0.2860932), wk = 0.0027248 k( 244) = ( 0.3833333 0.4907477 0.2860932), wk = 0.0027248 k( 245) = ( 0.3777778 0.5003702 0.2860932), wk = 0.0027248 k( 246) = ( 0.3722222 0.5099927 0.2860932), wk = 0.0027248 k( 247) = ( 0.3666667 0.5196152 0.2860932), wk = 0.0027248 k( 248) = ( 0.3611111 0.5292377 0.2860932), wk = 0.0027248 k( 249) = ( 0.3555556 0.5388603 0.2860932), wk = 0.0027248 k( 250) = ( 0.3500000 0.5484828 0.2860932), wk = 0.0027248 k( 251) = ( 0.3444444 0.5581053 0.2860932), wk = 0.0027248 k( 252) = ( 0.3388889 0.5677278 0.2860932), wk = 0.0027248 k( 253) = ( 0.3333333 0.5773503 0.2860932), wk = 0.0027248 k( 254) = ( 0.3333333 0.5773503 0.2860932), wk = 0.0027248 k( 255) = ( 0.3276836 0.5675647 0.2860932), wk = 0.0027248 k( 256) = ( 0.3220339 0.5577791 0.2860932), wk = 0.0027248 k( 257) = ( 0.3163842 0.5479935 0.2860932), wk = 0.0027248 k( 258) = ( 0.3107345 0.5382079 0.2860932), wk = 0.0027248 k( 259) = ( 0.3050848 0.5284223 0.2860932), wk = 0.0027248 k( 260) = ( 0.2994350 0.5186367 0.2860932), wk = 0.0027248 k( 261) = ( 0.2937853 0.5088511 0.2860932), wk = 0.0027248 k( 262) = ( 0.2881356 0.4990655 0.2860932), wk = 0.0027248 k( 263) = ( 0.2824859 0.4892799 0.2860932), wk = 0.0027248 k( 264) = ( 0.2768362 0.4794943 0.2860932), wk = 0.0027248 k( 265) = ( 0.2711864 0.4697087 0.2860932), wk = 0.0027248 k( 266) = ( 0.2655367 0.4599231 0.2860932), wk = 0.0027248 k( 267) = ( 0.2598870 0.4501375 0.2860932), wk = 0.0027248 k( 268) = ( 0.2542373 0.4403519 0.2860932), wk = 0.0027248 k( 269) = ( 0.2485876 0.4305663 0.2860932), wk = 0.0027248 k( 270) = ( 0.2429379 0.4207807 0.2860932), wk = 0.0027248 k( 271) = ( 0.2372881 0.4109951 0.2860932), wk = 0.0027248 k( 272) = ( 0.2316384 0.4012095 0.2860932), wk = 0.0027248 k( 273) = ( 0.2259887 0.3914239 0.2860932), wk = 0.0027248 k( 274) = ( 0.2203390 0.3816383 0.2860932), wk = 0.0027248 k( 275) = ( 0.2146893 0.3718527 0.2860932), wk = 0.0027248 k( 276) = ( 0.2090395 0.3620671 0.2860932), wk = 0.0027248 k( 277) = ( 0.2033898 0.3522815 0.2860932), wk = 0.0027248 k( 278) = ( 0.1977401 0.3424959 0.2860932), wk = 0.0027248 k( 279) = ( 0.1920904 0.3327103 0.2860932), wk = 0.0027248 k( 280) = ( 0.1864407 0.3229247 0.2860932), wk = 0.0027248 k( 281) = ( 0.1807910 0.3131391 0.2860932), wk = 0.0027248 k( 282) = ( 0.1751412 0.3033535 0.2860932), wk = 0.0027248 k( 283) = ( 0.1694915 0.2935679 0.2860932), wk = 0.0027248 k( 284) = ( 0.1638418 0.2837823 0.2860932), wk = 0.0027248 k( 285) = ( 0.1581921 0.2739967 0.2860932), wk = 0.0027248 k( 286) = ( 0.1525424 0.2642111 0.2860932), wk = 0.0027248 k( 287) = ( 0.1468927 0.2544256 0.2860932), wk = 0.0027248 k( 288) = ( 0.1412429 0.2446399 0.2860932), wk = 0.0027248 k( 289) = ( 0.1355932 0.2348543 0.2860932), wk = 0.0027248 k( 290) = ( 0.1299435 0.2250687 0.2860932), wk = 0.0027248 k( 291) = ( 0.1242938 0.2152832 0.2860932), wk = 0.0027248 k( 292) = ( 0.1186441 0.2054976 0.2860932), wk = 0.0027248 k( 293) = ( 0.1129943 0.1957120 0.2860932), wk = 0.0027248 k( 294) = ( 0.1073446 0.1859264 0.2860932), wk = 0.0027248 k( 295) = ( 0.1016949 0.1761408 0.2860932), wk = 0.0027248 k( 296) = ( 0.0960452 0.1663552 0.2860932), wk = 0.0027248 k( 297) = ( 0.0903955 0.1565696 0.2860932), wk = 0.0027248 k( 298) = ( 0.0847458 0.1467840 0.2860932), wk = 0.0027248 k( 299) = ( 0.0790961 0.1369984 0.2860932), wk = 0.0027248 k( 300) = ( 0.0734463 0.1272128 0.2860932), wk = 0.0027248 k( 301) = ( 0.0677966 0.1174272 0.2860932), wk = 0.0027248 k( 302) = ( 0.0621469 0.1076416 0.2860932), wk = 0.0027248 k( 303) = ( 0.0564972 0.0978560 0.2860932), wk = 0.0027248 k( 304) = ( 0.0508475 0.0880704 0.2860932), wk = 0.0027248 k( 305) = ( 0.0451977 0.0782848 0.2860932), wk = 0.0027248 k( 306) = ( 0.0395480 0.0684992 0.2860932), wk = 0.0027248 k( 307) = ( 0.0338983 0.0587136 0.2860932), wk = 0.0027248 k( 308) = ( 0.0282486 0.0489280 0.2860932), wk = 0.0027248 k( 309) = ( 0.0225989 0.0391424 0.2860932), wk = 0.0027248 k( 310) = ( 0.0169491 0.0293568 0.2860932), wk = 0.0027248 k( 311) = ( 0.0112994 0.0195712 0.2860932), wk = 0.0027248 k( 312) = ( 0.0056497 0.0097856 0.2860932), wk = 0.0027248 k( 313) = ( 0.0000000 0.0000000 0.2860932), wk = 0.0027248 k( 314) = ( 0.5000000 0.2886751 0.2860932), wk = 0.0027248 k( 315) = ( 0.5000000 0.2886751 0.2750897), wk = 0.0027248 k( 316) = ( 0.5000000 0.2886751 0.2640861), wk = 0.0027248 k( 317) = ( 0.5000000 0.2886751 0.2530825), wk = 0.0027248 k( 318) = ( 0.5000000 0.2886751 0.2420789), wk = 0.0027248 k( 319) = ( 0.5000000 0.2886751 0.2310753), wk = 0.0027248 k( 320) = ( 0.5000000 0.2886751 0.2200717), wk = 0.0027248 k( 321) = ( 0.5000000 0.2886751 0.2090681), wk = 0.0027248 k( 322) = ( 0.5000000 0.2886751 0.1980646), wk = 0.0027248 k( 323) = ( 0.5000000 0.2886751 0.1870610), wk = 0.0027248 k( 324) = ( 0.5000000 0.2886751 0.1760574), wk = 0.0027248 k( 325) = ( 0.5000000 0.2886751 0.1650538), wk = 0.0027248 k( 326) = ( 0.5000000 0.2886751 0.1540502), wk = 0.0027248 k( 327) = ( 0.5000000 0.2886751 0.1430466), wk = 0.0027248 k( 328) = ( 0.5000000 0.2886751 0.1320430), wk = 0.0027248 k( 329) = ( 0.5000000 0.2886751 0.1210395), wk = 0.0027248 k( 330) = ( 0.5000000 0.2886751 0.1100359), wk = 0.0027248 k( 331) = ( 0.5000000 0.2886751 0.0990323), wk = 0.0027248 k( 332) = ( 0.5000000 0.2886751 0.0880287), wk = 0.0027248 k( 333) = ( 0.5000000 0.2886751 0.0770251), wk = 0.0027248 k( 334) = ( 0.5000000 0.2886751 0.0660215), wk = 0.0027248 k( 335) = ( 0.5000000 0.2886751 0.0550179), wk = 0.0027248 k( 336) = ( 0.5000000 0.2886751 0.0440143), wk = 0.0027248 k( 337) = ( 0.5000000 0.2886751 0.0330108), wk = 0.0027248 k( 338) = ( 0.5000000 0.2886751 0.0220072), wk = 0.0027248 k( 339) = ( 0.5000000 0.2886751 0.0110036), wk = 0.0027248 k( 340) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 341) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 342) = ( 0.3333333 0.5773503 0.0110036), wk = 0.0027248 k( 343) = ( 0.3333333 0.5773503 0.0220072), wk = 0.0027248 k( 344) = ( 0.3333333 0.5773503 0.0330108), wk = 0.0027248 k( 345) = ( 0.3333333 0.5773503 0.0440143), wk = 0.0027248 k( 346) = ( 0.3333333 0.5773503 0.0550179), wk = 0.0027248 k( 347) = ( 0.3333333 0.5773503 0.0660215), wk = 0.0027248 k( 348) = ( 0.3333333 0.5773503 0.0770251), wk = 0.0027248 k( 349) = ( 0.3333333 0.5773503 0.0880287), wk = 0.0027248 k( 350) = ( 0.3333333 0.5773503 0.0990323), wk = 0.0027248 k( 351) = ( 0.3333333 0.5773503 0.1100359), wk = 0.0027248 k( 352) = ( 0.3333333 0.5773503 0.1210395), wk = 0.0027248 k( 353) = ( 0.3333333 0.5773503 0.1320430), wk = 0.0027248 k( 354) = ( 0.3333333 0.5773503 0.1430466), wk = 0.0027248 k( 355) = ( 0.3333333 0.5773503 0.1540502), wk = 0.0027248 k( 356) = ( 0.3333333 0.5773503 0.1650538), wk = 0.0027248 k( 357) = ( 0.3333333 0.5773503 0.1760574), wk = 0.0027248 k( 358) = ( 0.3333333 0.5773503 0.1870610), wk = 0.0027248 k( 359) = ( 0.3333333 0.5773503 0.1980646), wk = 0.0027248 k( 360) = ( 0.3333333 0.5773503 0.2090681), wk = 0.0027248 k( 361) = ( 0.3333333 0.5773503 0.2200717), wk = 0.0027248 k( 362) = ( 0.3333333 0.5773503 0.2310753), wk = 0.0027248 k( 363) = ( 0.3333333 0.5773503 0.2420789), wk = 0.0027248 k( 364) = ( 0.3333333 0.5773503 0.2530825), wk = 0.0027248 k( 365) = ( 0.3333333 0.5773503 0.2640861), wk = 0.0027248 k( 366) = ( 0.3333333 0.5773503 0.2750897), wk = 0.0027248 k( 367) = ( 0.3333333 0.5773503 0.2860932), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0027248 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0027248 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0490196 0.0000000 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0686275 0.0000000 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0027248 k( 11) = ( 0.0980392 0.0000000 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1078431 0.0000000 -0.0000000), wk = 0.0027248 k( 13) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0027248 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0027248 k( 15) = ( 0.1372549 0.0000000 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0027248 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0027248 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0027248 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0027248 k( 21) = ( 0.1960784 0.0000000 -0.0000000), wk = 0.0027248 k( 22) = ( 0.2058823 0.0000000 -0.0000000), wk = 0.0027248 k( 23) = ( 0.2156863 0.0000000 -0.0000000), wk = 0.0027248 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0027248 k( 25) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0027248 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0027248 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0027248 k( 28) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0027248 k( 29) = ( 0.2745098 0.0000000 -0.0000000), wk = 0.0027248 k( 30) = ( 0.2843137 0.0000000 -0.0000000), wk = 0.0027248 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0027248 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0027248 k( 33) = ( 0.3137255 0.0000000 -0.0000000), wk = 0.0027248 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0027248 k( 35) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0027248 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0027248 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3627451 -0.0000000 0.0000000), wk = 0.0027248 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0027248 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0027248 k( 41) = ( 0.3921569 0.0000000 -0.0000000), wk = 0.0027248 k( 42) = ( 0.4019608 0.0000000 -0.0000000), wk = 0.0027248 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0027248 k( 44) = ( 0.4215686 0.0000000 -0.0000000), wk = 0.0027248 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0027248 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0027248 k( 47) = ( 0.4509804 0.0000000 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4607843 -0.0000000 0.0000000), wk = 0.0027248 k( 49) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0027248 k( 50) = ( 0.4803922 -0.0000000 0.0000000), wk = 0.0027248 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0027248 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027248 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027248 k( 54) = ( 0.4944444 0.0111111 -0.0000000), wk = 0.0027248 k( 55) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0027248 k( 56) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0027248 k( 57) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0027248 k( 58) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0027248 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0027248 k( 60) = ( 0.4611111 0.0777778 -0.0000000), wk = 0.0027248 k( 61) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0027248 k( 62) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0027248 k( 63) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0027248 k( 64) = ( 0.4388889 0.1222222 -0.0000000), wk = 0.0027248 k( 65) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0027248 k( 66) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0027248 k( 67) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0027248 k( 68) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027248 k( 69) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0027248 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0027248 k( 71) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0027248 k( 72) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0027248 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0027248 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0027248 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0027248 k( 79) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0027248 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0027248 k( 81) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0027248 k( 82) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0027248 k( 83) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 85) = ( 0.3276836 0.3276836 -0.0000000), wk = 0.0027248 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0027248 k( 87) = ( 0.3163842 0.3163842 0.0000000), wk = 0.0027248 k( 88) = ( 0.3107345 0.3107345 0.0000000), wk = 0.0027248 k( 89) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0027248 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0027248 k( 91) = ( 0.2937853 0.2937853 -0.0000000), wk = 0.0027248 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027248 k( 93) = ( 0.2824859 0.2824859 0.0000000), wk = 0.0027248 k( 94) = ( 0.2768362 0.2768362 -0.0000000), wk = 0.0027248 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2655367 0.2655367 -0.0000000), wk = 0.0027248 k( 97) = ( 0.2598870 0.2598870 -0.0000000), wk = 0.0027248 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027248 k( 99) = ( 0.2485876 0.2485876 -0.0000000), wk = 0.0027248 k( 100) = ( 0.2429379 0.2429378 -0.0000000), wk = 0.0027248 k( 101) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027248 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0027248 k( 103) = ( 0.2259887 0.2259887 -0.0000000), wk = 0.0027248 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0027248 k( 105) = ( 0.2146893 0.2146893 -0.0000000), wk = 0.0027248 k( 106) = ( 0.2090395 0.2090395 0.0000000), wk = 0.0027248 k( 107) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027248 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0027248 k( 109) = ( 0.1920904 0.1920904 0.0000000), wk = 0.0027248 k( 110) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027248 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0027248 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0027248 k( 113) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027248 k( 114) = ( 0.1638418 0.1638418 -0.0000000), wk = 0.0027248 k( 115) = ( 0.1581921 0.1581921 0.0000000), wk = 0.0027248 k( 116) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0027248 k( 117) = ( 0.1468927 0.1468927 -0.0000000), wk = 0.0027248 k( 118) = ( 0.1412429 0.1412429 0.0000000), wk = 0.0027248 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027248 k( 120) = ( 0.1299435 0.1299435 -0.0000000), wk = 0.0027248 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0027248 k( 122) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027248 k( 123) = ( 0.1129943 0.1129944 -0.0000000), wk = 0.0027248 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0027248 k( 125) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027248 k( 126) = ( 0.0960452 0.0960452 0.0000000), wk = 0.0027248 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0027248 k( 128) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027248 k( 129) = ( 0.0790961 0.0790961 -0.0000000), wk = 0.0027248 k( 130) = ( 0.0734463 0.0734463 -0.0000000), wk = 0.0027248 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027248 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0564972 0.0564972 0.0000000), wk = 0.0027248 k( 134) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027248 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0027248 k( 136) = ( 0.0395480 0.0395480 -0.0000000), wk = 0.0027248 k( 137) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027248 k( 138) = ( 0.0282486 0.0282486 0.0000000), wk = 0.0027248 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0027248 k( 140) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027248 k( 141) = ( 0.0112994 0.0112994 0.0000000), wk = 0.0027248 k( 142) = ( 0.0056497 0.0056497 0.0000000), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0027248 k( 169) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0027248 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 172) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0027248 k( 173) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0027248 k( 174) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0027248 k( 175) = ( 0.0392157 -0.0000000 0.5000000), wk = 0.0027248 k( 176) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0027248 k( 177) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0027248 k( 178) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0027248 k( 179) = ( 0.0784314 -0.0000000 0.5000000), wk = 0.0027248 k( 180) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0027248 k( 181) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0027248 k( 182) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0027248 k( 183) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0027248 k( 184) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0027248 k( 185) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0027248 k( 186) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0027248 k( 187) = ( 0.1568627 -0.0000000 0.5000000), wk = 0.0027248 k( 188) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0027248 k( 189) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0027248 k( 190) = ( 0.1862745 -0.0000000 0.5000000), wk = 0.0027248 k( 191) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0027248 k( 192) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0027248 k( 193) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0027248 k( 194) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0027248 k( 195) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0027248 k( 196) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0027248 k( 197) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0027248 k( 198) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0027248 k( 199) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0027248 k( 200) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0027248 k( 201) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0027248 k( 202) = ( 0.3039216 -0.0000000 0.5000000), wk = 0.0027248 k( 203) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0027248 k( 204) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0027248 k( 205) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027248 k( 206) = ( 0.3431373 -0.0000000 0.5000000), wk = 0.0027248 k( 207) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0027248 k( 208) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0027248 k( 209) = ( 0.3725490 -0.0000000 0.5000000), wk = 0.0027248 k( 210) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0027248 k( 211) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0027248 k( 212) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0027248 k( 213) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0027248 k( 214) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0027248 k( 215) = ( 0.4313726 -0.0000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0027248 k( 218) = ( 0.4607843 -0.0000000 0.5000000), wk = 0.0027248 k( 219) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0027248 k( 220) = ( 0.4803922 -0.0000000 0.5000000), wk = 0.0027248 k( 221) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0027248 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 224) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0027248 k( 225) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0027248 k( 226) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0027248 k( 227) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0027248 k( 228) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0027248 k( 229) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0027248 k( 230) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0027248 k( 231) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0027248 k( 232) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0027248 k( 233) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027248 k( 234) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0027248 k( 235) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0027248 k( 236) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0027248 k( 237) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0027248 k( 238) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027248 k( 239) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0027248 k( 240) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0027248 k( 241) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0027248 k( 242) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0027248 k( 243) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027248 k( 244) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0027248 k( 245) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0027248 k( 246) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0027248 k( 247) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0027248 k( 248) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0027248 k( 249) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0027248 k( 250) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0027248 k( 251) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0027248 k( 252) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0027248 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 254) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 255) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0027248 k( 256) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027248 k( 257) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0027248 k( 258) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0027248 k( 259) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027248 k( 260) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0027248 k( 261) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0027248 k( 262) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027248 k( 263) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0027248 k( 264) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0027248 k( 265) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027248 k( 266) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0027248 k( 267) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0027248 k( 268) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027248 k( 269) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0027248 k( 270) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0027248 k( 271) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027248 k( 272) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0027248 k( 273) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0027248 k( 274) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027248 k( 275) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0027248 k( 276) = ( 0.2090395 0.2090395 0.5000000), wk = 0.0027248 k( 277) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027248 k( 278) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0027248 k( 279) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0027248 k( 280) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027248 k( 281) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0027248 k( 282) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0027248 k( 283) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027248 k( 284) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0027248 k( 285) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0027248 k( 286) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027248 k( 287) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0027248 k( 288) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0027248 k( 289) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027248 k( 290) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0027248 k( 291) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0027248 k( 292) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027248 k( 293) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0027248 k( 294) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0027248 k( 295) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027248 k( 296) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0027248 k( 297) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0027248 k( 298) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027248 k( 299) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0027248 k( 300) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0027248 k( 301) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027248 k( 302) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0027248 k( 303) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0027248 k( 304) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027248 k( 305) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0027248 k( 306) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0027248 k( 307) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027248 k( 308) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0027248 k( 309) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0027248 k( 310) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027248 k( 311) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0027248 k( 312) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0027248 k( 313) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 314) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027248 k( 315) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0027248 k( 316) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0027248 k( 317) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0027248 k( 318) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0027248 k( 319) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0027248 k( 320) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0027248 k( 321) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0027248 k( 322) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0027248 k( 323) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0027248 k( 324) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0027248 k( 325) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0027248 k( 326) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0027248 k( 327) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0027248 k( 328) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0027248 k( 329) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0027248 k( 330) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0027248 k( 331) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0027248 k( 332) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0027248 k( 333) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0027248 k( 334) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0027248 k( 335) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0027248 k( 336) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0027248 k( 337) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0027248 k( 338) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0027248 k( 339) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0027248 k( 340) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027248 k( 341) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027248 k( 342) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0027248 k( 343) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0027248 k( 344) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0027248 k( 345) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0027248 k( 346) = ( 0.3333333 0.3333333 0.0961539), wk = 0.0027248 k( 347) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0027248 k( 348) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0027248 k( 349) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0027248 k( 350) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0027248 k( 351) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0027248 k( 352) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0027248 k( 353) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0027248 k( 354) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027248 k( 355) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0027248 k( 356) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0027248 k( 357) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0027248 k( 358) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0027248 k( 359) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0027248 k( 360) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0027248 k( 361) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0027248 k( 362) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0027248 k( 363) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0027248 k( 364) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0027248 k( 365) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0027248 k( 366) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0027248 k( 367) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 Dense grid: 44545 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 308, 44) NL pseudopotentials 0.23 Mb ( 154, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1240) G-vector shells 0.00 Mb ( 581) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 308, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./TiSe.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 28 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.7 secs Computing kpt #: 19 total cpu time spent up to now is 14.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.6 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.7 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 18.8 secs Computing kpt #: 28 total cpu time spent up to now is 19.4 secs Computing kpt #: 29 total cpu time spent up to now is 20.0 secs Computing kpt #: 30 total cpu time spent up to now is 20.5 secs Computing kpt #: 31 total cpu time spent up to now is 21.1 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.5 secs Computing kpt #: 38 total cpu time spent up to now is 25.1 secs Computing kpt #: 39 total cpu time spent up to now is 25.7 secs Computing kpt #: 40 total cpu time spent up to now is 26.2 secs Computing kpt #: 41 total cpu time spent up to now is 26.8 secs Computing kpt #: 42 total cpu time spent up to now is 27.4 secs Computing kpt #: 43 total cpu time spent up to now is 28.0 secs Computing kpt #: 44 total cpu time spent up to now is 28.5 secs Computing kpt #: 45 total cpu time spent up to now is 29.1 secs Computing kpt #: 46 total cpu time spent up to now is 29.6 secs Computing kpt #: 47 total cpu time spent up to now is 30.1 secs Computing kpt #: 48 total cpu time spent up to now is 30.7 secs Computing kpt #: 49 total cpu time spent up to now is 31.2 secs Computing kpt #: 50 total cpu time spent up to now is 31.8 secs Computing kpt #: 51 total cpu time spent up to now is 32.3 secs Computing kpt #: 52 total cpu time spent up to now is 32.9 secs Computing kpt #: 53 total cpu time spent up to now is 33.4 secs Computing kpt #: 54 total cpu time spent up to now is 34.0 secs Computing kpt #: 55 total cpu time spent up to now is 34.6 secs Computing kpt #: 56 total cpu time spent up to now is 35.1 secs Computing kpt #: 57 total cpu time spent up to now is 35.7 secs Computing kpt #: 58 total cpu time spent up to now is 36.2 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.3 secs Computing kpt #: 61 total cpu time spent up to now is 37.9 secs Computing kpt #: 62 total cpu time spent up to now is 38.4 secs Computing kpt #: 63 total cpu time spent up to now is 38.9 secs Computing kpt #: 64 total cpu time spent up to now is 39.5 secs Computing kpt #: 65 total cpu time spent up to now is 40.0 secs Computing kpt #: 66 total cpu time spent up to now is 40.4 secs Computing kpt #: 67 total cpu time spent up to now is 40.9 secs Computing kpt #: 68 total cpu time spent up to now is 41.4 secs Computing kpt #: 69 total cpu time spent up to now is 41.8 secs Computing kpt #: 70 total cpu time spent up to now is 42.3 secs Computing kpt #: 71 total cpu time spent up to now is 42.7 secs Computing kpt #: 72 total cpu time spent up to now is 43.2 secs Computing kpt #: 73 total cpu time spent up to now is 43.7 secs Computing kpt #: 74 total cpu time spent up to now is 44.2 secs Computing kpt #: 75 total cpu time spent up to now is 44.8 secs Computing kpt #: 76 total cpu time spent up to now is 45.3 secs Computing kpt #: 77 total cpu time spent up to now is 45.8 secs Computing kpt #: 78 total cpu time spent up to now is 46.3 secs Computing kpt #: 79 total cpu time spent up to now is 46.8 secs Computing kpt #: 80 total cpu time spent up to now is 47.4 secs Computing kpt #: 81 total cpu time spent up to now is 47.9 secs Computing kpt #: 82 total cpu time spent up to now is 48.4 secs Computing kpt #: 83 total cpu time spent up to now is 48.8 secs Computing kpt #: 84 total cpu time spent up to now is 49.3 secs Computing kpt #: 85 total cpu time spent up to now is 49.7 secs Computing kpt #: 86 total cpu time spent up to now is 50.1 secs Computing kpt #: 87 total cpu time spent up to now is 50.7 secs Computing kpt #: 88 total cpu time spent up to now is 51.2 secs Computing kpt #: 89 total cpu time spent up to now is 51.7 secs Computing kpt #: 90 total cpu time spent up to now is 52.2 secs Computing kpt #: 91 total cpu time spent up to now is 52.7 secs Computing kpt #: 92 total cpu time spent up to now is 53.3 secs Computing kpt #: 93 total cpu time spent up to now is 53.8 secs Computing kpt #: 94 total cpu time spent up to now is 54.3 secs Computing kpt #: 95 total cpu time spent up to now is 54.8 secs Computing kpt #: 96 total cpu time spent up to now is 55.4 secs Computing kpt #: 97 total cpu time spent up to now is 55.9 secs Computing kpt #: 98 total cpu time spent up to now is 56.5 secs Computing kpt #: 99 total cpu time spent up to now is 57.1 secs Computing kpt #: 100 total cpu time spent up to now is 57.7 secs Computing kpt #: 101 total cpu time spent up to now is 58.3 secs Computing kpt #: 102 total cpu time spent up to now is 58.9 secs Computing kpt #: 103 total cpu time spent up to now is 59.4 secs Computing kpt #: 104 total cpu time spent up to now is 60.0 secs Computing kpt #: 105 total cpu time spent up to now is 60.6 secs Computing kpt #: 106 total cpu time spent up to now is 61.2 secs Computing kpt #: 107 total cpu time spent up to now is 61.8 secs Computing kpt #: 108 total cpu time spent up to now is 62.4 secs Computing kpt #: 109 total cpu time spent up to now is 63.0 secs Computing kpt #: 110 total cpu time spent up to now is 63.5 secs Computing kpt #: 111 total cpu time spent up to now is 64.1 secs Computing kpt #: 112 total cpu time spent up to now is 64.6 secs Computing kpt #: 113 total cpu time spent up to now is 65.2 secs Computing kpt #: 114 total cpu time spent up to now is 65.8 secs Computing kpt #: 115 total cpu time spent up to now is 66.3 secs Computing kpt #: 116 total cpu time spent up to now is 66.9 secs Computing kpt #: 117 total cpu time spent up to now is 67.5 secs Computing kpt #: 118 total cpu time spent up to now is 68.1 secs Computing kpt #: 119 total cpu time spent up to now is 68.6 secs Computing kpt #: 120 total cpu time spent up to now is 69.2 secs Computing kpt #: 121 total cpu time spent up to now is 69.7 secs Computing kpt #: 122 total cpu time spent up to now is 70.3 secs Computing kpt #: 123 total cpu time spent up to now is 70.9 secs Computing kpt #: 124 total cpu time spent up to now is 71.5 secs Computing kpt #: 125 total cpu time spent up to now is 72.1 secs Computing kpt #: 126 total cpu time spent up to now is 72.7 secs Computing kpt #: 127 total cpu time spent up to now is 73.3 secs Computing kpt #: 128 total cpu time spent up to now is 73.9 secs Computing kpt #: 129 total cpu time spent up to now is 74.5 secs Computing kpt #: 130 total cpu time spent up to now is 75.1 secs Computing kpt #: 131 total cpu time spent up to now is 75.7 secs Computing kpt #: 132 total cpu time spent up to now is 76.4 secs Computing kpt #: 133 total cpu time spent up to now is 77.1 secs Computing kpt #: 134 total cpu time spent up to now is 77.8 secs Computing kpt #: 135 total cpu time spent up to now is 78.5 secs Computing kpt #: 136 total cpu time spent up to now is 79.3 secs Computing kpt #: 137 total cpu time spent up to now is 80.0 secs Computing kpt #: 138 total cpu time spent up to now is 80.7 secs Computing kpt #: 139 total cpu time spent up to now is 81.4 secs Computing kpt #: 140 total cpu time spent up to now is 82.1 secs Computing kpt #: 141 total cpu time spent up to now is 83.0 secs Computing kpt #: 142 total cpu time spent up to now is 83.7 secs Computing kpt #: 143 total cpu time spent up to now is 84.2 secs Computing kpt #: 144 total cpu time spent up to now is 84.7 secs Computing kpt #: 145 total cpu time spent up to now is 85.5 secs Computing kpt #: 146 total cpu time spent up to now is 86.2 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.6 secs Computing kpt #: 149 total cpu time spent up to now is 88.3 secs Computing kpt #: 150 total cpu time spent up to now is 89.1 secs Computing kpt #: 151 total cpu time spent up to now is 89.8 secs Computing kpt #: 152 total cpu time spent up to now is 90.5 secs Computing kpt #: 153 total cpu time spent up to now is 91.2 secs Computing kpt #: 154 total cpu time spent up to now is 91.9 secs Computing kpt #: 155 total cpu time spent up to now is 92.8 secs Computing kpt #: 156 total cpu time spent up to now is 93.5 secs Computing kpt #: 157 total cpu time spent up to now is 94.2 secs Computing kpt #: 158 total cpu time spent up to now is 94.9 secs Computing kpt #: 159 total cpu time spent up to now is 95.5 secs Computing kpt #: 160 total cpu time spent up to now is 96.1 secs Computing kpt #: 161 total cpu time spent up to now is 96.7 secs Computing kpt #: 162 total cpu time spent up to now is 97.2 secs Computing kpt #: 163 total cpu time spent up to now is 97.7 secs Computing kpt #: 164 total cpu time spent up to now is 98.3 secs Computing kpt #: 165 total cpu time spent up to now is 98.8 secs Computing kpt #: 166 total cpu time spent up to now is 99.3 secs Computing kpt #: 167 total cpu time spent up to now is 99.9 secs Computing kpt #: 168 total cpu time spent up to now is 100.3 secs Computing kpt #: 169 total cpu time spent up to now is 100.8 secs Computing kpt #: 170 total cpu time spent up to now is 101.2 secs Computing kpt #: 171 total cpu time spent up to now is 101.6 secs Computing kpt #: 172 total cpu time spent up to now is 102.1 secs Computing kpt #: 173 total cpu time spent up to now is 102.6 secs Computing kpt #: 174 total cpu time spent up to now is 103.1 secs Computing kpt #: 175 total cpu time spent up to now is 103.6 secs Computing kpt #: 176 total cpu time spent up to now is 104.1 secs Computing kpt #: 177 total cpu time spent up to now is 104.5 secs Computing kpt #: 178 total cpu time spent up to now is 105.0 secs Computing kpt #: 179 total cpu time spent up to now is 105.6 secs Computing kpt #: 180 total cpu time spent up to now is 106.0 secs Computing kpt #: 181 total cpu time spent up to now is 106.5 secs Computing kpt #: 182 total cpu time spent up to now is 107.0 secs Computing kpt #: 183 total cpu time spent up to now is 107.4 secs Computing kpt #: 184 total cpu time spent up to now is 107.9 secs Computing kpt #: 185 total cpu time spent up to now is 108.3 secs Computing kpt #: 186 total cpu time spent up to now is 108.8 secs Computing kpt #: 187 total cpu time spent up to now is 109.2 secs Computing kpt #: 188 total cpu time spent up to now is 109.6 secs Computing kpt #: 189 total cpu time spent up to now is 110.1 secs Computing kpt #: 190 total cpu time spent up to now is 110.7 secs Computing kpt #: 191 total cpu time spent up to now is 111.2 secs Computing kpt #: 192 total cpu time spent up to now is 111.7 secs Computing kpt #: 193 total cpu time spent up to now is 112.2 secs Computing kpt #: 194 total cpu time spent up to now is 112.7 secs Computing kpt #: 195 total cpu time spent up to now is 113.3 secs Computing kpt #: 196 total cpu time spent up to now is 113.8 secs Computing kpt #: 197 total cpu time spent up to now is 114.4 secs Computing kpt #: 198 total cpu time spent up to now is 114.9 secs Computing kpt #: 199 total cpu time spent up to now is 115.4 secs Computing kpt #: 200 total cpu time spent up to now is 115.9 secs Computing kpt #: 201 total cpu time spent up to now is 116.5 secs Computing kpt #: 202 total cpu time spent up to now is 116.9 secs Computing kpt #: 203 total cpu time spent up to now is 117.4 secs Computing kpt #: 204 total cpu time spent up to now is 117.8 secs Computing kpt #: 205 total cpu time spent up to now is 118.3 secs Computing kpt #: 206 total cpu time spent up to now is 118.8 secs Computing kpt #: 207 total cpu time spent up to now is 119.2 secs Computing kpt #: 208 total cpu time spent up to now is 119.7 secs Computing kpt #: 209 total cpu time spent up to now is 120.2 secs Computing kpt #: 210 total cpu time spent up to now is 120.7 secs Computing kpt #: 211 total cpu time spent up to now is 121.3 secs Computing kpt #: 212 total cpu time spent up to now is 121.8 secs Computing kpt #: 213 total cpu time spent up to now is 122.3 secs Computing kpt #: 214 total cpu time spent up to now is 122.9 secs Computing kpt #: 215 total cpu time spent up to now is 123.4 secs Computing kpt #: 216 total cpu time spent up to now is 124.0 secs Computing kpt #: 217 total cpu time spent up to now is 124.6 secs Computing kpt #: 218 total cpu time spent up to now is 125.2 secs Computing kpt #: 219 total cpu time spent up to now is 125.8 secs Computing kpt #: 220 total cpu time spent up to now is 126.4 secs Computing kpt #: 221 total cpu time spent up to now is 127.0 secs Computing kpt #: 222 total cpu time spent up to now is 127.6 secs Computing kpt #: 223 total cpu time spent up to now is 128.2 secs Computing kpt #: 224 total cpu time spent up to now is 128.8 secs Computing kpt #: 225 total cpu time spent up to now is 129.4 secs Computing kpt #: 226 total cpu time spent up to now is 130.0 secs Computing kpt #: 227 total cpu time spent up to now is 130.5 secs Computing kpt #: 228 total cpu time spent up to now is 131.1 secs Computing kpt #: 229 total cpu time spent up to now is 131.6 secs Computing kpt #: 230 total cpu time spent up to now is 132.2 secs Computing kpt #: 231 total cpu time spent up to now is 132.7 secs Computing kpt #: 232 total cpu time spent up to now is 133.3 secs Computing kpt #: 233 total cpu time spent up to now is 133.8 secs Computing kpt #: 234 total cpu time spent up to now is 134.3 secs Computing kpt #: 235 total cpu time spent up to now is 134.9 secs Computing kpt #: 236 total cpu time spent up to now is 135.4 secs Computing kpt #: 237 total cpu time spent up to now is 136.0 secs Computing kpt #: 238 total cpu time spent up to now is 136.5 secs Computing kpt #: 239 total cpu time spent up to now is 137.0 secs Computing kpt #: 240 total cpu time spent up to now is 137.6 secs Computing kpt #: 241 total cpu time spent up to now is 138.1 secs Computing kpt #: 242 total cpu time spent up to now is 138.7 secs Computing kpt #: 243 total cpu time spent up to now is 139.2 secs Computing kpt #: 244 total cpu time spent up to now is 139.8 secs Computing kpt #: 245 total cpu time spent up to now is 140.4 secs Computing kpt #: 246 total cpu time spent up to now is 140.9 secs Computing kpt #: 247 total cpu time spent up to now is 141.5 secs Computing kpt #: 248 total cpu time spent up to now is 142.1 secs Computing kpt #: 249 total cpu time spent up to now is 142.7 secs Computing kpt #: 250 total cpu time spent up to now is 143.2 secs Computing kpt #: 251 total cpu time spent up to now is 143.7 secs Computing kpt #: 252 total cpu time spent up to now is 144.1 secs Computing kpt #: 253 total cpu time spent up to now is 144.6 secs Computing kpt #: 254 total cpu time spent up to now is 145.1 secs Computing kpt #: 255 total cpu time spent up to now is 145.6 secs Computing kpt #: 256 total cpu time spent up to now is 146.1 secs Computing kpt #: 257 total cpu time spent up to now is 146.7 secs Computing kpt #: 258 total cpu time spent up to now is 147.3 secs Computing kpt #: 259 total cpu time spent up to now is 147.9 secs Computing kpt #: 260 total cpu time spent up to now is 148.4 secs Computing kpt #: 261 total cpu time spent up to now is 149.0 secs Computing kpt #: 262 total cpu time spent up to now is 149.5 secs Computing kpt #: 263 total cpu time spent up to now is 150.0 secs Computing kpt #: 264 total cpu time spent up to now is 150.5 secs Computing kpt #: 265 total cpu time spent up to now is 151.0 secs Computing kpt #: 266 total cpu time spent up to now is 151.6 secs Computing kpt #: 267 total cpu time spent up to now is 152.1 secs Computing kpt #: 268 total cpu time spent up to now is 152.6 secs Computing kpt #: 269 total cpu time spent up to now is 153.1 secs Computing kpt #: 270 total cpu time spent up to now is 153.7 secs Computing kpt #: 271 total cpu time spent up to now is 154.2 secs Computing kpt #: 272 total cpu time spent up to now is 154.7 secs Computing kpt #: 273 total cpu time spent up to now is 155.2 secs Computing kpt #: 274 total cpu time spent up to now is 155.7 secs Computing kpt #: 275 total cpu time spent up to now is 156.2 secs Computing kpt #: 276 total cpu time spent up to now is 156.7 secs Computing kpt #: 277 total cpu time spent up to now is 157.1 secs Computing kpt #: 278 total cpu time spent up to now is 157.7 secs Computing kpt #: 279 total cpu time spent up to now is 158.1 secs Computing kpt #: 280 total cpu time spent up to now is 158.6 secs Computing kpt #: 281 total cpu time spent up to now is 159.1 secs Computing kpt #: 282 total cpu time spent up to now is 159.7 secs Computing kpt #: 283 total cpu time spent up to now is 160.1 secs Computing kpt #: 284 total cpu time spent up to now is 160.6 secs Computing kpt #: 285 total cpu time spent up to now is 161.2 secs Computing kpt #: 286 total cpu time spent up to now is 161.7 secs Computing kpt #: 287 total cpu time spent up to now is 162.2 secs Computing kpt #: 288 total cpu time spent up to now is 162.7 secs Computing kpt #: 289 total cpu time spent up to now is 163.3 secs Computing kpt #: 290 total cpu time spent up to now is 163.7 secs Computing kpt #: 291 total cpu time spent up to now is 164.2 secs Computing kpt #: 292 total cpu time spent up to now is 164.6 secs Computing kpt #: 293 total cpu time spent up to now is 165.0 secs Computing kpt #: 294 total cpu time spent up to now is 165.5 secs Computing kpt #: 295 total cpu time spent up to now is 165.9 secs Computing kpt #: 296 total cpu time spent up to now is 166.4 secs Computing kpt #: 297 total cpu time spent up to now is 166.8 secs Computing kpt #: 298 total cpu time spent up to now is 167.2 secs Computing kpt #: 299 total cpu time spent up to now is 167.7 secs Computing kpt #: 300 total cpu time spent up to now is 168.1 secs Computing kpt #: 301 total cpu time spent up to now is 168.6 secs Computing kpt #: 302 total cpu time spent up to now is 169.0 secs Computing kpt #: 303 total cpu time spent up to now is 169.4 secs Computing kpt #: 304 total cpu time spent up to now is 169.9 secs Computing kpt #: 305 total cpu time spent up to now is 170.4 secs Computing kpt #: 306 total cpu time spent up to now is 170.8 secs Computing kpt #: 307 total cpu time spent up to now is 171.3 secs Computing kpt #: 308 total cpu time spent up to now is 171.7 secs Computing kpt #: 309 total cpu time spent up to now is 172.2 secs Computing kpt #: 310 total cpu time spent up to now is 172.7 secs Computing kpt #: 311 total cpu time spent up to now is 173.2 secs Computing kpt #: 312 total cpu time spent up to now is 173.6 secs Computing kpt #: 313 total cpu time spent up to now is 174.1 secs Computing kpt #: 314 total cpu time spent up to now is 174.7 secs Computing kpt #: 315 total cpu time spent up to now is 175.3 secs Computing kpt #: 316 total cpu time spent up to now is 175.8 secs Computing kpt #: 317 total cpu time spent up to now is 176.5 secs Computing kpt #: 318 total cpu time spent up to now is 177.1 secs Computing kpt #: 319 total cpu time spent up to now is 177.7 secs Computing kpt #: 320 total cpu time spent up to now is 178.3 secs Computing kpt #: 321 total cpu time spent up to now is 178.9 secs Computing kpt #: 322 total cpu time spent up to now is 179.6 secs Computing kpt #: 323 total cpu time spent up to now is 180.2 secs Computing kpt #: 324 total cpu time spent up to now is 180.8 secs Computing kpt #: 325 total cpu time spent up to now is 181.4 secs Computing kpt #: 326 total cpu time spent up to now is 182.0 secs Computing kpt #: 327 total cpu time spent up to now is 182.6 secs Computing kpt #: 328 total cpu time spent up to now is 183.2 secs Computing kpt #: 329 total cpu time spent up to now is 183.8 secs Computing kpt #: 330 total cpu time spent up to now is 184.4 secs Computing kpt #: 331 total cpu time spent up to now is 185.0 secs Computing kpt #: 332 total cpu time spent up to now is 185.6 secs Computing kpt #: 333 total cpu time spent up to now is 186.2 secs Computing kpt #: 334 total cpu time spent up to now is 186.7 secs Computing kpt #: 335 total cpu time spent up to now is 187.4 secs Computing kpt #: 336 total cpu time spent up to now is 187.9 secs Computing kpt #: 337 total cpu time spent up to now is 188.5 secs Computing kpt #: 338 total cpu time spent up to now is 189.0 secs Computing kpt #: 339 total cpu time spent up to now is 189.6 secs Computing kpt #: 340 total cpu time spent up to now is 190.1 secs Computing kpt #: 341 total cpu time spent up to now is 190.6 secs Computing kpt #: 342 total cpu time spent up to now is 191.0 secs Computing kpt #: 343 total cpu time spent up to now is 191.5 secs Computing kpt #: 344 total cpu time spent up to now is 191.9 secs Computing kpt #: 345 total cpu time spent up to now is 192.4 secs Computing kpt #: 346 total cpu time spent up to now is 192.8 secs Computing kpt #: 347 total cpu time spent up to now is 193.2 secs Computing kpt #: 348 total cpu time spent up to now is 193.7 secs Computing kpt #: 349 total cpu time spent up to now is 194.1 secs Computing kpt #: 350 total cpu time spent up to now is 194.6 secs Computing kpt #: 351 total cpu time spent up to now is 195.0 secs Computing kpt #: 352 total cpu time spent up to now is 195.4 secs Computing kpt #: 353 total cpu time spent up to now is 195.9 secs Computing kpt #: 354 total cpu time spent up to now is 196.3 secs Computing kpt #: 355 total cpu time spent up to now is 196.8 secs Computing kpt #: 356 total cpu time spent up to now is 197.3 secs Computing kpt #: 357 total cpu time spent up to now is 197.8 secs Computing kpt #: 358 total cpu time spent up to now is 198.2 secs Computing kpt #: 359 total cpu time spent up to now is 198.7 secs Computing kpt #: 360 total cpu time spent up to now is 199.1 secs Computing kpt #: 361 total cpu time spent up to now is 199.6 secs Computing kpt #: 362 total cpu time spent up to now is 200.0 secs Computing kpt #: 363 total cpu time spent up to now is 200.5 secs Computing kpt #: 364 total cpu time spent up to now is 201.0 secs Computing kpt #: 365 total cpu time spent up to now is 201.4 secs Computing kpt #: 366 total cpu time spent up to now is 202.0 secs Computing kpt #: 367 total cpu time spent up to now is 202.5 secs ethr = 2.78E-08, avg # of iterations = 28.7 total cpu time spent up to now is 202.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5589 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0142 -21.0142 -20.9602 -20.9602 -20.3930 -20.3930 -20.3518 -20.3518 -20.3270 -20.3270 -20.2377 -20.2377 -2.7076 -2.7076 -1.3070 -1.3070 5.5069 5.5069 8.8428 8.8428 9.0221 9.0221 10.7249 10.7249 11.2656 11.2656 11.3920 11.3920 11.6326 11.6326 12.6786 12.6786 12.6892 12.6892 12.7062 12.7062 12.7222 12.7222 14.3281 14.3281 k = 0.0098 0.0057-0.0000 ( 5581 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0142 -21.0142 -20.9603 -20.9603 -20.3930 -20.3930 -20.3519 -20.3519 -20.3270 -20.3270 -20.2377 -20.2377 -2.7065 -2.7065 -1.3068 -1.3068 5.5084 5.5084 8.8418 8.8418 9.0210 9.0210 10.7193 10.7193 11.2561 11.2561 11.3905 11.3905 11.6249 11.6249 12.6834 12.6834 12.6961 12.6961 12.7097 12.7097 12.7257 12.7257 14.3282 14.3282 k = 0.0196 0.0113-0.0000 ( 5591 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0143 -21.0143 -20.9604 -20.9604 -20.3930 -20.3930 -20.3521 -20.3521 -20.3272 -20.3272 -20.2377 -20.2377 -2.7032 -2.7032 -1.3061 -1.3061 5.5129 5.5129 8.8386 8.8386 9.0179 9.0179 10.7026 10.7026 11.2274 11.2274 11.3860 11.3860 11.6033 11.6033 12.6958 12.6958 12.7142 12.7142 12.7216 12.7216 12.7379 12.7379 14.3284 14.3284 k = 0.0294 0.0170-0.0000 ( 5599 PWs) bands (ev): -44.2711 -44.2711 -44.2507 -44.2507 -21.0144 -21.0144 -20.9606 -20.9606 -20.3930 -20.3930 -20.3524 -20.3524 -20.3274 -20.3274 -20.2377 -20.2377 -2.6978 -2.6978 -1.3050 -1.3050 5.5204 5.5204 8.8331 8.8331 9.0131 9.0131 10.6753 10.6753 11.1797 11.1797 11.3780 11.3780 11.5718 11.5718 12.7094 12.7094 12.7332 12.7332 12.7525 12.7525 12.7611 12.7611 14.3286 14.3286 k = 0.0392 0.0226-0.0000 ( 5607 PWs) bands (ev): -44.2711 -44.2711 -44.2507 -44.2507 -21.0145 -21.0145 -20.9609 -20.9609 -20.3930 -20.3930 -20.3528 -20.3528 -20.3278 -20.3278 -20.2378 -20.2378 -2.6902 -2.6902 -1.3035 -1.3035 5.5309 5.5309 8.8249 8.8249 9.0069 9.0069 10.6381 10.6381 11.1142 11.1142 11.3639 11.3639 11.5369 11.5369 12.7209 12.7209 12.7579 12.7579 12.7934 12.7934 12.7972 12.7972 14.3285 14.3285 k = 0.0490 0.0283-0.0000 ( 5615 PWs) bands (ev): -44.2710 -44.2710 -44.2506 -44.2506 -21.0146 -21.0146 -20.9612 -20.9612 -20.3931 -20.3931 -20.3533 -20.3533 -20.3282 -20.3282 -20.2378 -20.2378 -2.6804 -2.6804 -1.3015 -1.3015 5.5444 5.5444 8.8136 8.8136 8.9998 8.9998 10.5918 10.5918 11.0332 11.0332 11.3389 11.3389 11.5065 11.5065 12.7322 12.7322 12.7871 12.7871 12.8352 12.8352 12.8491 12.8491 14.3279 14.3279 k = 0.0588 0.0340-0.0000 ( 5613 PWs) bands (ev): -44.2709 -44.2709 -44.2505 -44.2505 -21.0148 -21.0148 -20.9616 -20.9616 -20.3931 -20.3931 -20.3540 -20.3540 -20.3287 -20.3287 -20.2379 -20.2379 -2.6686 -2.6686 -1.2991 -1.2991 5.5608 5.5608 8.7986 8.7986 8.9925 8.9925 10.5371 10.5371 10.9394 10.9394 11.2997 11.2997 11.4863 11.4863 12.7448 12.7448 12.8185 12.8185 12.8827 12.8827 12.9079 12.9079 14.3266 14.3266 k = 0.0686 0.0396-0.0000 ( 5617 PWs) bands (ev): -44.2709 -44.2709 -44.2505 -44.2505 -21.0150 -21.0150 -20.9621 -20.9621 -20.3932 -20.3932 -20.3547 -20.3547 -20.3294 -20.3294 -20.2379 -20.2379 -2.6546 -2.6546 -1.2963 -1.2963 5.5802 5.5802 8.7797 8.7797 8.9854 8.9854 10.4740 10.4740 10.8358 10.8358 11.2483 11.2483 11.4760 11.4760 12.7590 12.7590 12.8509 12.8509 12.9344 12.9344 12.9715 12.9715 14.3246 14.3246 k = 0.0784 0.0453-0.0000 ( 5609 PWs) bands (ev): -44.2707 -44.2707 -44.2504 -44.2504 -21.0153 -21.0153 -20.9627 -20.9627 -20.3932 -20.3932 -20.3556 -20.3556 -20.3301 -20.3301 -20.2380 -20.2380 -2.6385 -2.6385 -1.2930 -1.2930 5.6024 5.6024 8.7565 8.7565 8.9790 8.9790 10.4025 10.4025 10.7258 10.7258 11.1890 11.1890 11.4722 11.4722 12.7751 12.7751 12.8834 12.8834 12.9887 12.9887 13.0384 13.0384 14.3222 14.3222 k = 0.0882 0.0509-0.0000 ( 5619 PWs) bands (ev): -44.2706 -44.2706 -44.2503 -44.2503 -21.0156 -21.0156 -20.9633 -20.9633 -20.3933 -20.3933 -20.3566 -20.3566 -20.3309 -20.3309 -20.2381 -20.2381 -2.6204 -2.6204 -1.2894 -1.2894 5.6275 5.6275 8.7292 8.7292 8.9733 8.9733 10.3215 10.3215 10.6135 10.6135 11.1254 11.1254 11.4722 11.4722 12.7932 12.7932 12.9154 12.9154 13.0442 13.0442 13.1074 13.1074 14.3192 14.3192 k = 0.0980 0.0566-0.0000 ( 5615 PWs) bands (ev): -44.2705 -44.2705 -44.2501 -44.2501 -21.0159 -21.0159 -20.9640 -20.9640 -20.3933 -20.3933 -20.3576 -20.3576 -20.3317 -20.3317 -20.2382 -20.2382 -2.6002 -2.6002 -1.2853 -1.2853 5.6555 5.6555 8.6977 8.6977 8.9685 8.9685 10.2291 10.2291 10.5029 10.5029 11.0596 11.0596 11.4742 11.4742 12.8131 12.8131 12.9468 12.9468 13.0993 13.0993 13.1777 13.1777 14.3159 14.3159 k = 0.1078 0.0623-0.0000 ( 5607 PWs) bands (ev): -44.2704 -44.2704 -44.2500 -44.2500 -21.0162 -21.0162 -20.9648 -20.9648 -20.3934 -20.3934 -20.3588 -20.3588 -20.3327 -20.3327 -20.2383 -20.2383 -2.5781 -2.5781 -1.2809 -1.2809 5.6863 5.6863 8.6624 8.6624 8.9644 8.9644 10.1236 10.1236 10.3980 10.3980 10.9928 10.9928 11.4775 11.4775 12.8349 12.8349 12.9777 12.9777 13.1527 13.1527 13.2485 13.2485 14.3122 14.3122 k = 0.1176 0.0679-0.0000 ( 5601 PWs) bands (ev): -44.2702 -44.2702 -44.2499 -44.2499 -21.0166 -21.0166 -20.9657 -20.9657 -20.3935 -20.3935 -20.3601 -20.3601 -20.3337 -20.3337 -20.2384 -20.2384 -2.5540 -2.5540 -1.2762 -1.2762 5.7198 5.7198 8.6235 8.6235 8.9608 8.9608 10.0050 10.0050 10.3005 10.3005 10.9259 10.9259 11.4814 11.4814 12.8586 12.8586 13.0080 13.0080 13.2031 13.2031 13.3192 13.3192 14.3082 14.3082 k = 0.1275 0.0736-0.0000 ( 5593 PWs) bands (ev): -44.2700 -44.2700 -44.2497 -44.2497 -21.0170 -21.0170 -20.9666 -20.9666 -20.3936 -20.3936 -20.3614 -20.3614 -20.3348 -20.3348 -20.2385 -20.2385 -2.5280 -2.5280 -1.2710 -1.2710 5.7560 5.7560 8.5814 8.5814 8.9577 8.9577 9.8753 9.8753 10.2100 10.2100 10.8594 10.8594 11.4855 11.4855 12.8842 12.8842 13.0381 13.0381 13.2491 13.2491 13.3892 13.3892 14.3040 14.3040 k = 0.1373 0.0792-0.0000 ( 5593 PWs) bands (ev): -44.2699 -44.2699 -44.2496 -44.2496 -21.0174 -21.0174 -20.9675 -20.9675 -20.3937 -20.3937 -20.3628 -20.3628 -20.3359 -20.3359 -20.2386 -20.2386 -2.5002 -2.5002 -1.2656 -1.2656 5.7948 5.7948 8.5363 8.5363 8.9549 8.9549 9.7375 9.7375 10.1249 10.1249 10.7937 10.7937 11.4895 11.4895 12.9114 12.9114 13.0683 13.0683 13.2900 13.2900 13.4581 13.4581 14.2996 14.2996 k = 0.1471 0.0849-0.0000 ( 5597 PWs) bands (ev): -44.2697 -44.2697 -44.2494 -44.2494 -21.0179 -21.0179 -20.9685 -20.9685 -20.3938 -20.3938 -20.3644 -20.3644 -20.3371 -20.3371 -20.2387 -20.2387 -2.4706 -2.4706 -1.2598 -1.2598 5.8361 5.8361 8.4885 8.4885 8.9521 8.9521 9.5946 9.5946 10.0435 10.0435 10.7291 10.7291 11.4933 11.4933 12.9404 12.9404 13.0987 13.0987 13.3250 13.3250 13.5254 13.5254 14.2951 14.2951 k = 0.1569 0.0906-0.0000 ( 5587 PWs) bands (ev): -44.2695 -44.2695 -44.2492 -44.2492 -21.0184 -21.0184 -20.9696 -20.9696 -20.3940 -20.3940 -20.3659 -20.3659 -20.3383 -20.3383 -20.2388 -20.2388 -2.4393 -2.4393 -1.2537 -1.2537 5.8800 5.8800 8.4381 8.4381 8.9492 8.9492 9.4485 9.4485 9.9647 9.9647 10.6659 10.6659 11.4964 11.4964 12.9710 12.9710 13.1298 13.1298 13.3536 13.3536 13.5908 13.5908 14.2905 14.2905 k = 0.1667 0.0962-0.0000 ( 5585 PWs) bands (ev): -44.2693 -44.2693 -44.2490 -44.2490 -21.0189 -21.0189 -20.9707 -20.9707 -20.3941 -20.3941 -20.3676 -20.3676 -20.3396 -20.3396 -20.2389 -20.2389 -2.4064 -2.4064 -1.2473 -1.2473 5.9263 5.9263 8.3853 8.3853 8.9461 8.9461 9.3012 9.3012 9.8881 9.8881 10.6043 10.6043 11.4989 11.4989 13.0031 13.0031 13.1616 13.1616 13.3760 13.3760 13.6539 13.6539 14.2859 14.2859 k = 0.1765 0.1019-0.0000 ( 5585 PWs) bands (ev): -44.2691 -44.2691 -44.2488 -44.2488 -21.0194 -21.0194 -20.9718 -20.9718 -20.3943 -20.3943 -20.3693 -20.3693 -20.3408 -20.3408 -20.2390 -20.2390 -2.3718 -2.3718 -1.2407 -1.2407 5.9750 5.9750 8.3301 8.3301 8.9422 8.9422 9.1541 9.1541 9.8131 9.8131 10.5444 10.5444 11.5004 11.5004 13.0367 13.0367 13.1945 13.1945 13.3923 13.3923 13.7144 13.7144 14.2813 14.2813 k = 0.1863 0.1075-0.0000 ( 5585 PWs) bands (ev): -44.2689 -44.2689 -44.2486 -44.2486 -21.0199 -21.0199 -20.9730 -20.9730 -20.3945 -20.3945 -20.3710 -20.3710 -20.3422 -20.3422 -20.2391 -20.2391 -2.3358 -2.3358 -1.2338 -1.2338 6.0259 6.0259 8.2722 8.2722 8.9353 8.9353 9.0110 9.0110 9.7398 9.7398 10.4866 10.4866 11.5009 11.5009 13.0716 13.0716 13.2287 13.2287 13.4029 13.4029 13.7719 13.7719 14.2768 14.2768 k = 0.1961 0.1132-0.0000 ( 5581 PWs) bands (ev): -44.2687 -44.2687 -44.2484 -44.2484 -21.0205 -21.0205 -20.9743 -20.9743 -20.3947 -20.3947 -20.3728 -20.3728 -20.3435 -20.3435 -20.2392 -20.2392 -2.2983 -2.2983 -1.2268 -1.2268 6.0789 6.0789 8.2112 8.2112 8.8571 8.8571 8.9411 8.9411 9.6679 9.6679 10.4308 10.4308 11.5001 11.5001 13.1078 13.1078 13.2641 13.2641 13.4085 13.4085 13.8262 13.8262 14.2725 14.2725 k = 0.2059 0.1189-0.0000 ( 5577 PWs) bands (ev): -44.2684 -44.2684 -44.2482 -44.2482 -21.0211 -21.0211 -20.9755 -20.9755 -20.3950 -20.3950 -20.3747 -20.3747 -20.3448 -20.3448 -20.2393 -20.2393 -2.2596 -2.2596 -1.2195 -1.2195 6.1340 6.1340 8.1466 8.1466 8.7198 8.7198 8.9337 8.9337 9.5975 9.5975 10.3772 10.3772 11.4980 11.4980 13.1450 13.1450 13.3008 13.3008 13.4097 13.4097 13.8770 13.8770 14.2684 14.2684 k = 0.2157 0.1245-0.0000 ( 5577 PWs) bands (ev): -44.2682 -44.2682 -44.2480 -44.2480 -21.0217 -21.0217 -20.9768 -20.9768 -20.3952 -20.3952 -20.3765 -20.3765 -20.3461 -20.3461 -20.2394 -20.2394 -2.2196 -2.2196 -1.2121 -1.2121 6.1910 6.1910 8.0770 8.0770 8.5860 8.5860 8.9279 8.9279 9.5286 9.5286 10.3259 10.3259 11.4945 11.4945 13.1831 13.1831 13.3384 13.3384 13.4077 13.4077 13.9241 13.9241 14.2647 14.2647 k = 0.2255 0.1302-0.0000 ( 5569 PWs) bands (ev): -44.2680 -44.2680 -44.2478 -44.2478 -21.0223 -21.0223 -20.9781 -20.9781 -20.3955 -20.3955 -20.3784 -20.3784 -20.3474 -20.3474 -20.2395 -20.2395 -2.1784 -2.1784 -1.2045 -1.2045 6.2499 6.2499 8.0010 8.0010 8.4598 8.4598 8.9218 8.9218 9.4612 9.4612 10.2771 10.2771 11.4894 11.4894 13.2220 13.2220 13.3727 13.3727 13.4072 13.4072 13.9675 13.9675 14.2613 14.2613 k = 0.2353 0.1358-0.0000 ( 5567 PWs) bands (ev): -44.2678 -44.2678 -44.2476 -44.2476 -21.0229 -21.0229 -20.9795 -20.9795 -20.3959 -20.3959 -20.3803 -20.3803 -20.3487 -20.3487 -20.2396 -20.2396 -2.1363 -2.1363 -1.1968 -1.1968 6.3104 6.3104 7.9167 7.9167 8.3439 8.3439 8.9150 8.9150 9.3954 9.3954 10.2307 10.2307 11.4828 11.4828 13.2613 13.2613 13.3813 13.3813 13.4311 13.4311 14.0071 14.0071 14.2586 14.2586 k = 0.2451 0.1415-0.0000 ( 5559 PWs) bands (ev): -44.2675 -44.2675 -44.2474 -44.2474 -21.0236 -21.0236 -20.9808 -20.9808 -20.3962 -20.3962 -20.3822 -20.3822 -20.3500 -20.3500 -20.2397 -20.2397 -2.0933 -2.0933 -1.1891 -1.1891 6.3725 6.3725 7.8229 7.8229 8.2401 8.2401 8.9075 8.9075 9.3313 9.3313 10.1869 10.1869 11.4746 11.4746 13.3005 13.3005 13.3724 13.3724 13.4723 13.4723 14.0428 14.0428 14.2564 14.2564 k = 0.2549 0.1472-0.0000 ( 5559 PWs) bands (ev): -44.2673 -44.2673 -44.2472 -44.2472 -21.0242 -21.0242 -20.9822 -20.9822 -20.3966 -20.3966 -20.3841 -20.3841 -20.3512 -20.3512 -20.2398 -20.2398 -2.0495 -2.0495 -1.1812 -1.1812 6.4359 6.4359 7.7194 7.7194 8.1489 8.1489 8.8991 8.8991 9.2689 9.2689 10.1456 10.1456 11.4647 11.4647 13.3355 13.3355 13.3633 13.3633 13.5173 13.5173 14.0747 14.0747 14.2551 14.2551 k = 0.2647 0.1528-0.0000 ( 5565 PWs) bands (ev): -44.2671 -44.2671 -44.2470 -44.2470 -21.0249 -21.0249 -20.9835 -20.9835 -20.3970 -20.3970 -20.3860 -20.3860 -20.3524 -20.3524 -20.2399 -20.2399 -2.0051 -2.0051 -1.1734 -1.1734 6.5006 6.5006 7.6082 7.6082 8.0692 8.0692 8.8899 8.8899 9.2082 9.2082 10.1070 10.1070 11.4533 11.4533 13.3356 13.3356 13.3866 13.3866 13.5644 13.5644 14.1030 14.1030 14.2547 14.2547 k = 0.2745 0.1585-0.0000 ( 5569 PWs) bands (ev): -44.2668 -44.2668 -44.2467 -44.2467 -21.0255 -21.0255 -20.9849 -20.9849 -20.3975 -20.3975 -20.3879 -20.3879 -20.3536 -20.3536 -20.2399 -20.2399 -1.9603 -1.9603 -1.1656 -1.1656 6.5662 6.5662 7.4918 7.4918 7.9987 7.9987 8.8796 8.8796 9.1494 9.1494 10.0709 10.0709 11.4404 11.4404 13.3184 13.3184 13.4248 13.4248 13.6132 13.6132 14.1277 14.1277 14.2553 14.2553 k = 0.2843 0.1641-0.0000 ( 5565 PWs) bands (ev): -44.2666 -44.2666 -44.2465 -44.2465 -21.0262 -21.0262 -20.9862 -20.9862 -20.3980 -20.3980 -20.3897 -20.3897 -20.3547 -20.3547 -20.2400 -20.2400 -1.9151 -1.9151 -1.1578 -1.1578 6.6325 6.6325 7.3727 7.3727 7.9353 7.9353 8.8682 8.8682 9.0927 9.0927 10.0375 10.0375 11.4261 11.4261 13.2983 13.2983 13.4637 13.4637 13.6635 13.6635 14.1492 14.1492 14.2572 14.2572 k = 0.2941 0.1698-0.0000 ( 5556 PWs) bands (ev): -44.2664 -44.2664 -44.2463 -44.2463 -21.0268 -21.0268 -20.9875 -20.9875 -20.3985 -20.3985 -20.3915 -20.3915 -20.3558 -20.3558 -20.2400 -20.2400 -1.8697 -1.8697 -1.1500 -1.1500 6.6991 6.6991 7.2534 7.2534 7.8776 7.8776 8.8556 8.8556 9.0382 9.0382 10.0066 10.0066 11.4106 11.4106 13.2766 13.2766 13.5019 13.5019 13.7150 13.7150 14.1676 14.1676 14.2605 14.2605 k = 0.3039 0.1755-0.0000 ( 5556 PWs) bands (ev): -44.2661 -44.2661 -44.2461 -44.2461 -21.0275 -21.0275 -20.9888 -20.9888 -20.3991 -20.3991 -20.3932 -20.3932 -20.3568 -20.3568 -20.2401 -20.2401 -1.8244 -1.8244 -1.1424 -1.1424 6.7650 6.7650 7.1361 7.1361 7.8242 7.8242 8.8413 8.8413 8.9864 8.9864 9.9781 9.9781 11.3938 11.3938 13.2537 13.2537 13.5390 13.5390 13.7674 13.7674 14.1832 14.1832 14.2654 14.2654 k = 0.3137 0.1811-0.0000 ( 5552 PWs) bands (ev): -44.2659 -44.2659 -44.2459 -44.2459 -21.0281 -21.0281 -20.9901 -20.9901 -20.3998 -20.3998 -20.3948 -20.3948 -20.3577 -20.3577 -20.2401 -20.2401 -1.7792 -1.7792 -1.1349 -1.1349 6.8265 6.8265 7.0252 7.0252 7.7746 7.7746 8.8246 8.8246 8.9383 8.9383 9.9521 9.9521 11.3761 11.3761 13.2297 13.2297 13.5746 13.5746 13.8203 13.8203 14.1962 14.1962 14.2720 14.2720 k = 0.3235 0.1868-0.0000 ( 5556 PWs) bands (ev): -44.2657 -44.2657 -44.2457 -44.2457 -21.0287 -21.0287 -20.9914 -20.9914 -20.4005 -20.4005 -20.3963 -20.3963 -20.3586 -20.3586 -20.2402 -20.2402 -1.7345 -1.7345 -1.1276 -1.1276 6.8503 6.8503 6.9550 6.9550 7.7282 7.7282 8.8038 8.8038 8.8954 8.8954 9.9284 9.9284 11.3576 11.3576 13.2049 13.2049 13.6083 13.6083 13.8736 13.8736 14.2071 14.2071 14.2806 14.2806 k = 0.3333 0.1925-0.0000 ( 5556 PWs) bands (ev): -44.2655 -44.2655 -44.2455 -44.2455 -21.0293 -21.0293 -20.9926 -20.9926 -20.4013 -20.4013 -20.3977 -20.3977 -20.3594 -20.3594 -20.2402 -20.2402 -1.6903 -1.6903 -1.1205 -1.1205 6.7704 6.7704 6.9916 6.9916 7.6848 7.6848 8.7766 8.7766 8.8602 8.8602 9.9068 9.9068 11.3385 11.3385 13.1795 13.1795 13.6398 13.6398 13.9267 13.9267 14.2159 14.2159 14.2912 14.2912 k = 0.3431 0.1981-0.0000 ( 5564 PWs) bands (ev): -44.2653 -44.2653 -44.2453 -44.2453 -21.0299 -21.0299 -20.9938 -20.9938 -20.4023 -20.4023 -20.3989 -20.3989 -20.3601 -20.3601 -20.2403 -20.2403 -1.6469 -1.6469 -1.1136 -1.1136 6.6681 6.6681 7.0541 7.0541 7.6443 7.6443 8.7423 8.7423 8.8334 8.8334 9.8874 9.8874 11.3190 11.3190 13.1537 13.1537 13.6689 13.6689 13.9793 13.9793 14.2230 14.2230 14.3038 14.3038 k = 0.3529 0.2038-0.0000 ( 5570 PWs) bands (ev): -44.2651 -44.2651 -44.2452 -44.2452 -21.0305 -21.0305 -20.9949 -20.9949 -20.4034 -20.4034 -20.3999 -20.3999 -20.3608 -20.3608 -20.2403 -20.2403 -1.6045 -1.6045 -1.1069 -1.1069 6.5665 6.5665 7.1194 7.1194 7.6066 7.6066 8.7034 8.7034 8.8128 8.8128 9.8699 9.8699 11.2994 11.2994 13.1276 13.1276 13.6952 13.6952 14.0308 14.0308 14.2287 14.2287 14.3186 14.3186 k = 0.3627 0.2094-0.0000 ( 5562 PWs) bands (ev): -44.2649 -44.2649 -44.2450 -44.2450 -21.0311 -21.0311 -20.9960 -20.9960 -20.4046 -20.4046 -20.4007 -20.4007 -20.3614 -20.3614 -20.2403 -20.2403 -1.5633 -1.5633 -1.1006 -1.1006 6.4686 6.4686 7.1846 7.1846 7.5720 7.5720 8.6626 8.6626 8.7957 8.7957 9.8543 9.8543 11.2797 11.2797 13.1015 13.1015 13.7188 13.7188 14.0806 14.0806 14.2332 14.2332 14.3353 14.3353 k = 0.3725 0.2151-0.0000 ( 5558 PWs) bands (ev): -44.2648 -44.2648 -44.2448 -44.2448 -21.0316 -21.0316 -20.9970 -20.9970 -20.4058 -20.4058 -20.4015 -20.4015 -20.3620 -20.3620 -20.2404 -20.2404 -1.5236 -1.5236 -1.0946 -1.0946 6.3753 6.3753 7.2483 7.2483 7.5409 7.5409 8.6214 8.6214 8.7805 8.7805 9.8404 9.8404 11.2603 11.2603 13.0755 13.0755 13.7396 13.7396 14.1282 14.1282 14.2367 14.2367 14.3537 14.3537 k = 0.3824 0.2208-0.0000 ( 5564 PWs) bands (ev): -44.2646 -44.2646 -44.2447 -44.2447 -21.0321 -21.0321 -20.9980 -20.9980 -20.4070 -20.4070 -20.4022 -20.4022 -20.3625 -20.3625 -20.2404 -20.2404 -1.4855 -1.4855 -1.0889 -1.0889 6.2872 6.2872 7.3086 7.3086 7.5147 7.5147 8.5806 8.5806 8.7666 8.7666 9.8280 9.8280 11.2414 11.2414 13.0500 13.0500 13.7577 13.7577 14.1726 14.1726 14.2399 14.2399 14.3735 14.3735 k = 0.3922 0.2264-0.0000 ( 5560 PWs) bands (ev): -44.2644 -44.2644 -44.2446 -44.2446 -21.0325 -21.0325 -20.9989 -20.9989 -20.4081 -20.4081 -20.4028 -20.4028 -20.3630 -20.3630 -20.2404 -20.2404 -1.4494 -1.4494 -1.0836 -1.0836 6.2048 6.2048 7.3610 7.3610 7.4974 7.4974 8.5405 8.5405 8.7538 8.7538 9.8172 9.8172 11.2232 11.2232 13.0251 13.0251 13.7732 13.7732 14.2117 14.2117 14.2446 14.2446 14.3943 14.3943 k = 0.4020 0.2321-0.0000 ( 5560 PWs) bands (ev): -44.2643 -44.2643 -44.2444 -44.2444 -21.0330 -21.0330 -20.9998 -20.9998 -20.4091 -20.4091 -20.4033 -20.4033 -20.3634 -20.3634 -20.2404 -20.2404 -1.4154 -1.4154 -1.0787 -1.0787 6.1283 6.1283 7.3925 7.3925 7.5019 7.5019 8.5013 8.5013 8.7419 8.7419 9.8076 9.8076 11.2058 11.2058 13.0011 13.0011 13.7863 13.7863 14.2333 14.2333 14.2626 14.2626 14.4155 14.4155 k = 0.4118 0.2377-0.0000 ( 5556 PWs) bands (ev): -44.2642 -44.2642 -44.2443 -44.2443 -21.0334 -21.0334 -21.0006 -21.0006 -20.4101 -20.4101 -20.4039 -20.4039 -20.3638 -20.3638 -20.2404 -20.2404 -1.3837 -1.3837 -1.0742 -1.0742 6.0581 6.0581 7.3941 7.3941 7.5367 7.5367 8.4630 8.4630 8.7309 8.7309 9.7994 9.7994 11.1895 11.1895 12.9783 12.9783 13.7973 13.7973 14.2376 14.2376 14.2936 14.2936 14.4368 14.4368 k = 0.4216 0.2434-0.0000 ( 5548 PWs) bands (ev): -44.2641 -44.2641 -44.2442 -44.2442 -21.0338 -21.0338 -21.0013 -21.0013 -20.4110 -20.4110 -20.4043 -20.4043 -20.3641 -20.3641 -20.2404 -20.2404 -1.3547 -1.3547 -1.0702 -1.0702 5.9945 5.9945 7.3821 7.3821 7.5853 7.5853 8.4257 8.4257 8.7209 8.7209 9.7922 9.7922 11.1744 11.1744 12.9569 12.9569 13.8064 13.8064 14.2388 14.2388 14.3234 14.3234 14.4575 14.4575 k = 0.4314 0.2491-0.0000 ( 5548 PWs) bands (ev): -44.2640 -44.2640 -44.2441 -44.2441 -21.0341 -21.0341 -21.0019 -21.0019 -20.4118 -20.4118 -20.4047 -20.4047 -20.3643 -20.3643 -20.2404 -20.2404 -1.3284 -1.3284 -1.0667 -1.0667 5.9377 5.9377 7.3674 7.3674 7.6365 7.6365 8.3895 8.3895 8.7119 8.7119 9.7861 9.7861 11.1607 11.1607 12.9372 12.9372 13.8138 13.8138 14.2392 14.2392 14.3497 14.3497 14.4771 14.4771 k = 0.4412 0.2547-0.0000 ( 5548 PWs) bands (ev): -44.2639 -44.2639 -44.2440 -44.2440 -21.0344 -21.0344 -21.0025 -21.0025 -20.4125 -20.4125 -20.4051 -20.4051 -20.3646 -20.3646 -20.2404 -20.2404 -1.3052 -1.3052 -1.0636 -1.0636 5.8880 5.8880 7.3532 7.3532 7.6865 7.6865 8.3546 8.3546 8.7040 8.7040 9.7810 9.7810 11.1486 11.1486 12.9194 12.9194 13.8198 13.8198 14.2392 14.2392 14.3722 14.3722 14.4952 14.4952 k = 0.4510 0.2604-0.0000 ( 5542 PWs) bands (ev): -44.2638 -44.2638 -44.2439 -44.2439 -21.0346 -21.0346 -21.0029 -21.0029 -20.4131 -20.4131 -20.4054 -20.4054 -20.3648 -20.3648 -20.2405 -20.2405 -1.2851 -1.2851 -1.0611 -1.0611 5.8456 5.8456 7.3406 7.3406 7.7336 7.7336 8.3213 8.3213 8.6972 8.6972 9.7768 9.7768 11.1380 11.1380 12.9039 12.9039 13.8245 13.8245 14.2390 14.2390 14.3908 14.3908 14.5112 14.5112 k = 0.4608 0.2660-0.0000 ( 5548 PWs) bands (ev): -44.2637 -44.2637 -44.2439 -44.2439 -21.0348 -21.0348 -21.0033 -21.0033 -20.4136 -20.4136 -20.4057 -20.4057 -20.3649 -20.3649 -20.2405 -20.2405 -1.2684 -1.2684 -1.0590 -1.0590 5.8106 5.8106 7.3300 7.3300 7.7766 7.7766 8.2902 8.2902 8.6916 8.6916 9.7734 9.7734 11.1293 11.1293 12.8909 12.8909 13.8282 13.8282 14.2388 14.2388 14.4057 14.4057 14.5250 14.5250 k = 0.4706 0.2717-0.0000 ( 5546 PWs) bands (ev): -44.2637 -44.2637 -44.2438 -44.2438 -21.0350 -21.0350 -21.0036 -21.0036 -20.4140 -20.4140 -20.4059 -20.4059 -20.3650 -20.3650 -20.2405 -20.2405 -1.2553 -1.2553 -1.0574 -1.0574 5.7832 5.7832 7.3216 7.3216 7.8140 7.8140 8.2625 8.2625 8.6871 8.6871 9.7709 9.7709 11.1224 11.1224 12.8805 12.8805 13.8309 13.8309 14.2385 14.2385 14.4170 14.4170 14.5360 14.5360 k = 0.4804 0.2774-0.0000 ( 5554 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0351 -21.0351 -21.0039 -21.0039 -20.4143 -20.4143 -20.4061 -20.4061 -20.3651 -20.3651 -20.2405 -20.2405 -1.2458 -1.2458 -1.0562 -1.0562 5.7635 5.7635 7.3156 7.3156 7.8437 7.8437 8.2399 8.2399 8.6839 8.6839 9.7691 9.7691 11.1174 11.1174 12.8730 12.8730 13.8328 13.8328 14.2383 14.2383 14.4250 14.4250 14.5440 14.5440 k = 0.4902 0.2830-0.0000 ( 5566 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0040 -21.0040 -20.4145 -20.4145 -20.4062 -20.4062 -20.3652 -20.3652 -20.2405 -20.2405 -1.2401 -1.2401 -1.0556 -1.0556 5.7517 5.7517 7.3120 7.3120 7.8632 7.8632 8.2247 8.2247 8.6820 8.6820 9.7680 9.7680 11.1144 11.1144 12.8684 12.8684 13.8339 13.8339 14.2382 14.2382 14.4297 14.4297 14.5489 14.5489 k = 0.5000 0.2887-0.0000 ( 5570 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0040 -21.0040 -20.4145 -20.4145 -20.4062 -20.4062 -20.3652 -20.3652 -20.2405 -20.2405 -1.2381 -1.2381 -1.0553 -1.0553 5.7477 5.7477 7.3108 7.3108 7.8701 7.8701 8.2193 8.2193 8.6814 8.6814 9.7676 9.7676 11.1134 11.1134 12.8669 12.8669 13.8343 13.8343 14.2381 14.2381 14.4313 14.4313 14.5506 14.5506 k = 0.5000 0.2887-0.0000 ( 5570 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0040 -21.0040 -20.4145 -20.4145 -20.4062 -20.4062 -20.3652 -20.3652 -20.2405 -20.2405 -1.2381 -1.2381 -1.0553 -1.0553 5.7477 5.7477 7.3108 7.3108 7.8701 7.8701 8.2193 8.2193 8.6814 8.6814 9.7676 9.7676 11.1134 11.1134 12.8669 12.8669 13.8343 13.8343 14.2381 14.2381 14.4313 14.4313 14.5506 14.5506 k = 0.4944 0.2983-0.0000 ( 5566 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0040 -21.0040 -20.4145 -20.4145 -20.4062 -20.4062 -20.3652 -20.3652 -20.2405 -20.2405 -1.2376 -1.2376 -1.0552 -1.0552 5.7490 5.7490 7.3101 7.3101 7.8709 7.8709 8.2190 8.2190 8.6813 8.6813 9.7539 9.7539 11.1257 11.1257 12.8679 12.8679 13.8347 13.8347 14.2368 14.2368 14.4302 14.4302 14.5503 14.5503 k = 0.4889 0.3079-0.0000 ( 5558 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0041 -21.0041 -20.4146 -20.4146 -20.4061 -20.4061 -20.3653 -20.3653 -20.2405 -20.2405 -1.2361 -1.2361 -1.0550 -1.0550 5.7527 5.7527 7.3079 7.3079 7.8733 7.8733 8.2181 8.2181 8.6812 8.6812 9.7140 9.7140 11.1610 11.1610 12.8707 12.8707 13.8361 13.8361 14.2326 14.2326 14.4270 14.4270 14.5496 14.5496 k = 0.4833 0.3175-0.0000 ( 5562 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0041 -21.0041 -20.4147 -20.4147 -20.4060 -20.4060 -20.3655 -20.3655 -20.2405 -20.2405 -1.2336 -1.2336 -1.0545 -1.0545 5.7589 5.7589 7.3044 7.3044 7.8774 7.8774 8.2167 8.2167 8.6810 8.6810 9.6520 9.6520 11.2156 11.2156 12.8756 12.8756 13.8383 13.8383 14.2257 14.2257 14.4216 14.4216 14.5485 14.5485 k = 0.4778 0.3272-0.0000 ( 5556 PWs) bands (ev): -44.2636 -44.2636 -44.2437 -44.2437 -21.0352 -21.0352 -21.0042 -21.0042 -20.4148 -20.4148 -20.4059 -20.4059 -20.3658 -20.3658 -20.2406 -20.2406 -1.2301 -1.2301 -1.0538 -1.0538 5.7675 5.7675 7.2995 7.2995 7.8830 7.8830 8.2148 8.2148 8.6807 8.6807 9.5723 9.5723 11.2849 11.2849 12.8823 12.8823 13.8412 13.8412 14.2161 14.2161 14.4141 14.4141 14.5473 14.5473 k = 0.4722 0.3368-0.0000 ( 5548 PWs) bands (ev): -44.2636 -44.2636 -44.2437 -44.2437 -21.0353 -21.0353 -21.0042 -21.0042 -20.4149 -20.4149 -20.4057 -20.4057 -20.3662 -20.3662 -20.2406 -20.2406 -1.2256 -1.2256 -1.0530 -1.0530 5.7786 5.7786 7.2933 7.2933 7.8902 7.8902 8.2123 8.2123 8.6802 8.6802 9.4794 9.4794 11.3648 11.3648 12.8909 12.8909 13.8444 13.8444 14.2039 14.2039 14.4043 14.4043 14.5462 14.5462 k = 0.4667 0.3464-0.0000 ( 5548 PWs) bands (ev): -44.2635 -44.2635 -44.2437 -44.2437 -21.0353 -21.0353 -21.0043 -21.0043 -20.4151 -20.4151 -20.4055 -20.4055 -20.3666 -20.3666 -20.2407 -20.2407 -1.2202 -1.2202 -1.0520 -1.0520 5.7921 5.7921 7.2859 7.2859 7.8988 7.8988 8.2092 8.2092 8.6796 8.6796 9.3768 9.3768 11.4517 11.4517 12.9014 12.9014 13.8478 13.8478 14.1893 14.1893 14.3924 14.3924 14.5457 14.5457 k = 0.4611 0.3560-0.0000 ( 5554 PWs) bands (ev): -44.2635 -44.2635 -44.2437 -44.2437 -21.0354 -21.0354 -21.0044 -21.0044 -20.4153 -20.4153 -20.4053 -20.4053 -20.3671 -20.3671 -20.2408 -20.2408 -1.2139 -1.2139 -1.0508 -1.0508 5.8081 5.8081 7.2773 7.2773 7.9088 7.9088 8.2057 8.2057 8.6788 8.6788 9.2674 9.2674 11.5431 11.5431 12.9137 12.9137 13.8510 13.8510 14.1722 14.1722 14.3782 14.3782 14.5461 14.5461 k = 0.4556 0.3657-0.0000 ( 5556 PWs) bands (ev): -44.2635 -44.2635 -44.2436 -44.2436 -21.0354 -21.0354 -21.0045 -21.0045 -20.4155 -20.4155 -20.4050 -20.4050 -20.3677 -20.3677 -20.2409 -20.2409 -1.2068 -1.2068 -1.0495 -1.0495 5.8264 5.8264 7.2677 7.2677 7.9201 7.9201 8.2016 8.2016 8.6777 8.6777 9.1533 9.1533 11.6372 11.6372 12.9279 12.9279 13.8535 13.8535 14.1530 14.1530 14.3618 14.3618 14.5481 14.5481 k = 0.4500 0.3753-0.0000 ( 5556 PWs) bands (ev): -44.2634 -44.2634 -44.2436 -44.2436 -21.0355 -21.0355 -21.0046 -21.0046 -20.4158 -20.4158 -20.4047 -20.4047 -20.3683 -20.3683 -20.2410 -20.2410 -1.1988 -1.1988 -1.0480 -1.0480 5.8471 5.8471 7.2571 7.2571 7.9326 7.9326 8.1970 8.1970 8.6761 8.6761 9.0363 9.0363 11.7326 11.7326 12.9438 12.9438 13.8551 13.8551 14.1318 14.1318 14.3433 14.3433 14.5520 14.5520 k = 0.4444 0.3849-0.0000 ( 5560 PWs) bands (ev): -44.2634 -44.2634 -44.2436 -44.2436 -21.0355 -21.0355 -21.0048 -21.0048 -20.4160 -20.4160 -20.4043 -20.4043 -20.3690 -20.3690 -20.2411 -20.2411 -1.1902 -1.1902 -1.0464 -1.0464 5.8701 5.8701 7.2457 7.2457 7.9463 7.9463 8.1918 8.1918 8.6738 8.6738 8.9180 8.9180 11.8283 11.8283 12.9615 12.9615 13.8551 13.8551 14.1088 14.1088 14.3225 14.3225 14.5586 14.5586 k = 0.4389 0.3945-0.0000 ( 5556 PWs) bands (ev): -44.2634 -44.2634 -44.2435 -44.2435 -21.0356 -21.0356 -21.0049 -21.0049 -20.4163 -20.4163 -20.4039 -20.4039 -20.3698 -20.3698 -20.2412 -20.2412 -1.1808 -1.1808 -1.0447 -1.0447 5.8954 5.8954 7.2335 7.2335 7.9608 7.9608 8.1858 8.1858 8.6693 8.6693 8.8011 8.8011 11.9236 11.9236 12.9809 12.9809 13.8533 13.8533 14.0842 14.0842 14.2995 14.2995 14.5682 14.5682 k = 0.4333 0.4041-0.0000 ( 5554 PWs) bands (ev): -44.2633 -44.2633 -44.2435 -44.2435 -21.0357 -21.0357 -21.0051 -21.0051 -20.4167 -20.4167 -20.4035 -20.4035 -20.3706 -20.3706 -20.2414 -20.2414 -1.1709 -1.1709 -1.0429 -1.0429 5.9230 5.9230 7.2207 7.2207 7.9763 7.9763 8.1788 8.1788 8.6462 8.6462 8.7030 8.7030 12.0180 12.0180 13.0019 13.0019 13.8493 13.8493 14.0584 14.0584 14.2743 14.2743 14.5813 14.5813 k = 0.4278 0.4138-0.0000 ( 5560 PWs) bands (ev): -44.2633 -44.2633 -44.2435 -44.2435 -21.0358 -21.0358 -21.0052 -21.0052 -20.4170 -20.4170 -20.4030 -20.4030 -20.3715 -20.3715 -20.2415 -20.2415 -1.1605 -1.1605 -1.0410 -1.0410 5.9527 5.9527 7.2074 7.2074 7.9923 7.9923 8.1699 8.1699 8.5513 8.5513 8.6787 8.6787 12.1113 12.1113 13.0245 13.0245 13.8429 13.8429 14.0315 14.0315 14.2470 14.2470 14.5982 14.5982 k = 0.4222 0.4234-0.0000 ( 5568 PWs) bands (ev): -44.2632 -44.2632 -44.2434 -44.2434 -21.0359 -21.0359 -21.0054 -21.0054 -20.4174 -20.4174 -20.4025 -20.4025 -20.3724 -20.3724 -20.2416 -20.2416 -1.1496 -1.1496 -1.0390 -1.0390 5.9847 5.9847 7.1937 7.1937 8.0089 8.0089 8.1572 8.1572 8.4418 8.4418 8.6733 8.6733 12.2031 12.2031 13.0486 13.0486 13.8340 13.8340 14.0039 14.0039 14.2177 14.2177 14.6193 14.6193 k = 0.4167 0.4330-0.0000 ( 5580 PWs) bands (ev): -44.2632 -44.2632 -44.2434 -44.2434 -21.0359 -21.0359 -21.0056 -21.0056 -20.4178 -20.4178 -20.4019 -20.4019 -20.3733 -20.3733 -20.2417 -20.2417 -1.1384 -1.1384 -1.0370 -1.0370 6.0187 6.0187 7.1798 7.1798 8.0256 8.0256 8.1354 8.1354 8.3410 8.3410 8.6697 8.6697 12.2934 12.2934 13.0741 13.0741 13.8226 13.8226 13.9759 13.9759 14.1862 14.1862 14.6444 14.6444 k = 0.4111 0.4426-0.0000 ( 5580 PWs) bands (ev): -44.2631 -44.2631 -44.2433 -44.2433 -21.0360 -21.0360 -21.0058 -21.0058 -20.4181 -20.4181 -20.4014 -20.4014 -20.3743 -20.3743 -20.2419 -20.2419 -1.1271 -1.1271 -1.0349 -1.0349 6.0546 6.0546 7.1656 7.1656 8.0418 8.0418 8.0920 8.0920 8.2640 8.2640 8.6664 8.6664 12.3819 12.3819 13.1009 13.1009 13.8089 13.8089 13.9477 13.9477 14.1528 14.1528 14.6738 14.6738 k = 0.4056 0.4523-0.0000 ( 5584 PWs) bands (ev): -44.2631 -44.2631 -44.2433 -44.2433 -21.0361 -21.0361 -21.0059 -21.0059 -20.4185 -20.4185 -20.4008 -20.4008 -20.3753 -20.3753 -20.2420 -20.2420 -1.1156 -1.1156 -1.0329 -1.0329 6.0926 6.0926 7.1515 7.1515 8.0121 8.0121 8.0621 8.0621 8.2217 8.2217 8.6631 8.6631 12.4686 12.4686 13.1289 13.1289 13.7929 13.7929 13.9195 13.9195 14.1176 14.1176 14.7071 14.7071 k = 0.4000 0.4619-0.0000 ( 5582 PWs) bands (ev): -44.2630 -44.2630 -44.2432 -44.2432 -21.0362 -21.0362 -21.0061 -21.0061 -20.4189 -20.4189 -20.4001 -20.4001 -20.3763 -20.3763 -20.2421 -20.2421 -1.1041 -1.1041 -1.0308 -1.0308 6.1323 6.1323 7.1374 7.1374 7.9176 7.9176 8.0776 8.0776 8.2016 8.2016 8.6598 8.6598 12.5535 12.5535 13.1579 13.1579 13.7750 13.7750 13.8917 13.8917 14.0805 14.0805 14.7441 14.7441 k = 0.3944 0.4715-0.0000 ( 5566 PWs) bands (ev): -44.2630 -44.2630 -44.2432 -44.2432 -21.0363 -21.0363 -21.0063 -21.0063 -20.4193 -20.4193 -20.3995 -20.3995 -20.3773 -20.3773 -20.2422 -20.2422 -1.0927 -1.0927 -1.0288 -1.0288 6.1736 6.1736 7.1234 7.1234 7.8167 7.8167 8.0935 8.0935 8.1907 8.1907 8.6563 8.6563 12.6365 12.6365 13.1877 13.1877 13.7555 13.7555 13.8645 13.8645 14.0418 14.0418 14.7832 14.7832 k = 0.3889 0.4811-0.0000 ( 5560 PWs) bands (ev): -44.2629 -44.2629 -44.2431 -44.2431 -21.0364 -21.0364 -21.0065 -21.0065 -20.4197 -20.4197 -20.3988 -20.3988 -20.3784 -20.3784 -20.2423 -20.2423 -1.0816 -1.0816 -1.0268 -1.0268 6.2165 6.2165 7.1097 7.1097 7.7157 7.7157 8.1086 8.1086 8.1840 8.1840 8.6529 8.6529 12.7176 12.7176 13.2183 13.2183 13.7346 13.7346 13.8380 13.8380 14.0016 14.0016 14.7787 14.7787 k = 0.3833 0.4907-0.0000 ( 5556 PWs) bands (ev): -44.2629 -44.2629 -44.2431 -44.2431 -21.0365 -21.0365 -21.0067 -21.0067 -20.4200 -20.4200 -20.3981 -20.3981 -20.3794 -20.3794 -20.2424 -20.2424 -1.0709 -1.0709 -1.0249 -1.0249 6.2606 6.2606 7.0961 7.0961 7.6173 7.6173 8.1224 8.1224 8.1801 8.1801 8.6493 8.6493 12.7967 12.7967 13.2494 13.2494 13.7126 13.7126 13.8124 13.8124 13.9601 13.9601 14.7557 14.7557 k = 0.3778 0.5004-0.0000 ( 5562 PWs) bands (ev): -44.2628 -44.2628 -44.2431 -44.2431 -21.0366 -21.0366 -21.0068 -21.0068 -20.4204 -20.4204 -20.3975 -20.3975 -20.3804 -20.3804 -20.2425 -20.2425 -1.0608 -1.0608 -1.0230 -1.0230 6.3058 6.3058 7.0827 7.0827 7.5230 7.5230 8.1343 8.1343 8.1783 8.1783 8.6458 8.6458 12.8737 12.8737 13.2807 13.2807 13.6899 13.6899 13.7877 13.7877 13.9176 13.9176 14.7327 14.7327 k = 0.3722 0.5100-0.0000 ( 5558 PWs) bands (ev): -44.2628 -44.2628 -44.2430 -44.2430 -21.0367 -21.0367 -21.0070 -21.0070 -20.4207 -20.4207 -20.3968 -20.3968 -20.3814 -20.3814 -20.2426 -20.2426 -1.0513 -1.0513 -1.0213 -1.0213 6.3515 6.3515 7.0694 7.0694 7.4341 7.4341 8.1437 8.1437 8.1790 8.1790 8.6424 8.6424 12.9483 12.9483 13.3120 13.3120 13.6666 13.6666 13.7642 13.7642 13.8746 13.8746 14.7103 14.7103 k = 0.3667 0.5196-0.0000 ( 5558 PWs) bands (ev): -44.2628 -44.2628 -44.2430 -44.2430 -21.0367 -21.0367 -21.0071 -21.0071 -20.4209 -20.4209 -20.3961 -20.3961 -20.3823 -20.3823 -20.2426 -20.2426 -1.0427 -1.0427 -1.0196 -1.0196 6.3972 6.3972 7.0556 7.0556 7.3520 7.3520 8.1501 8.1501 8.1821 8.1821 8.6392 8.6392 13.0203 13.0203 13.3429 13.3429 13.6431 13.6431 13.7415 13.7415 13.8316 13.8316 14.6890 14.6890 k = 0.3611 0.5292-0.0000 ( 5554 PWs) bands (ev): -44.2627 -44.2627 -44.2430 -44.2430 -21.0368 -21.0368 -21.0073 -21.0073 -20.4212 -20.4212 -20.3954 -20.3954 -20.3832 -20.3832 -20.2427 -20.2427 -1.0352 -1.0352 -1.0180 -1.0180 6.4422 6.4422 7.0408 7.0408 7.2787 7.2787 8.1540 8.1540 8.1868 8.1868 8.6362 8.6362 13.0889 13.0889 13.3733 13.3733 13.6195 13.6195 13.7196 13.7196 13.7899 13.7899 14.6695 14.6695 k = 0.3556 0.5389-0.0000 ( 5546 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0369 -21.0369 -21.0074 -21.0074 -20.4214 -20.4214 -20.3948 -20.3948 -20.3840 -20.3840 -20.2428 -20.2428 -1.0289 -1.0289 -1.0165 -1.0165 6.4851 6.4851 7.0240 7.0240 7.2167 7.2167 8.1568 8.1568 8.1915 8.1915 8.6335 8.6335 13.1532 13.1532 13.4026 13.4026 13.5960 13.5960 13.6973 13.6973 13.7516 13.7516 14.6522 14.6522 k = 0.3500 0.5485-0.0000 ( 5550 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0369 -21.0369 -21.0075 -21.0075 -20.4216 -20.4216 -20.3943 -20.3943 -20.3847 -20.3847 -20.2428 -20.2428 -1.0241 -1.0241 -1.0149 -1.0149 6.5239 6.5239 7.0043 7.0043 7.1692 7.1692 8.1591 8.1591 8.1953 8.1953 8.6313 8.6313 13.2113 13.2113 13.4307 13.4307 13.5727 13.5727 13.6737 13.6737 13.7199 13.7199 14.6379 14.6379 k = 0.3444 0.5581-0.0000 ( 5556 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0075 -21.0075 -20.4217 -20.4217 -20.3939 -20.3939 -20.3853 -20.3853 -20.2428 -20.2428 -1.0210 -1.0210 -1.0133 -1.0133 6.5557 6.5557 6.9835 6.9835 7.1375 7.1375 8.1614 8.1614 8.1976 8.1976 8.6295 8.6295 13.2597 13.2597 13.4572 13.4572 13.5498 13.5498 13.6499 13.6499 13.6970 13.6970 14.6270 14.6270 k = 0.3389 0.5677-0.0000 ( 5548 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0076 -21.0076 -20.4218 -20.4218 -20.3936 -20.3936 -20.3856 -20.3856 -20.2428 -20.2428 -1.0193 -1.0193 -1.0120 -1.0120 6.5769 6.5769 6.9671 6.9671 7.1204 7.1204 8.1635 8.1635 8.1984 8.1984 8.6284 8.6284 13.2929 13.2929 13.4819 13.4819 13.5273 13.5273 13.6326 13.6326 13.6823 13.6823 14.6202 14.6202 k = 0.3333 0.5774-0.0000 ( 5550 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0076 -21.0076 -20.4218 -20.4218 -20.3935 -20.3935 -20.3858 -20.3858 -20.2428 -20.2428 -1.0188 -1.0188 -1.0115 -1.0115 6.5842 6.5842 6.9610 6.9610 7.1150 7.1150 8.1645 8.1645 8.1984 8.1984 8.6280 8.6280 13.3047 13.3047 13.5018 13.5018 13.5081 13.5081 13.6271 13.6271 13.6762 13.6762 14.6178 14.6178 k = 0.3333 0.5774-0.0000 ( 5550 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0076 -21.0076 -20.4218 -20.4218 -20.3935 -20.3935 -20.3858 -20.3858 -20.2428 -20.2428 -1.0188 -1.0188 -1.0115 -1.0115 6.5842 6.5842 6.9610 6.9610 7.1150 7.1150 8.1645 8.1645 8.1984 8.1984 8.6280 8.6280 13.3047 13.3047 13.5018 13.5018 13.5081 13.5081 13.6271 13.6271 13.6762 13.6762 14.6178 14.6178 k = 0.3277 0.5676-0.0000 ( 5546 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0076 -21.0076 -20.4218 -20.4218 -20.3936 -20.3936 -20.3856 -20.3856 -20.2428 -20.2428 -1.0194 -1.0194 -1.0120 -1.0120 6.5773 6.5773 6.9667 6.9667 7.1204 7.1204 8.1627 8.1627 8.1991 8.1991 8.6285 8.6285 13.2933 13.2933 13.4831 13.4831 13.5260 13.5260 13.6286 13.6286 13.6859 13.6859 14.6203 14.6203 k = 0.3220 0.5578-0.0000 ( 5550 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0075 -21.0075 -20.4217 -20.4217 -20.3939 -20.3939 -20.3853 -20.3853 -20.2428 -20.2428 -1.0215 -1.0215 -1.0133 -1.0133 6.5600 6.5600 6.9805 6.9805 7.1373 7.1373 8.1562 8.1562 8.2024 8.2024 8.6299 8.6299 13.2634 13.2634 13.4627 13.4627 13.5439 13.5439 13.6273 13.6273 13.7164 13.7164 14.6280 14.6280 k = 0.3164 0.5480-0.0000 ( 5554 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0369 -21.0369 -21.0074 -21.0074 -20.4216 -20.4216 -20.3942 -20.3942 -20.3848 -20.3848 -20.2428 -20.2428 -1.0258 -1.0258 -1.0148 -1.0148 6.5374 6.5374 6.9964 6.9964 7.1663 7.1663 8.1444 8.1444 8.2085 8.2085 8.6325 8.6325 13.2219 13.2219 13.4434 13.4434 13.5593 13.5593 13.6241 13.6241 13.7602 13.7602 14.6409 14.6409 k = 0.3107 0.5382-0.0000 ( 5546 PWs) bands (ev): -44.2627 -44.2627 -44.2430 -44.2430 -21.0368 -21.0368 -21.0073 -21.0073 -20.4213 -20.4213 -20.3947 -20.3947 -20.3841 -20.3841 -20.2428 -20.2428 -1.0326 -1.0326 -1.0163 -1.0163 6.5136 6.5136 7.0114 7.0114 7.2065 7.2065 8.1278 8.1278 8.2172 8.2172 8.6363 8.6363 13.1735 13.1735 13.4252 13.4252 13.5724 13.5724 13.6214 13.6214 13.8101 13.8101 14.6588 14.6588 k = 0.3051 0.5284-0.0000 ( 5550 PWs) bands (ev): -44.2628 -44.2628 -44.2430 -44.2430 -21.0367 -21.0367 -21.0071 -21.0071 -20.4210 -20.4210 -20.3952 -20.3952 -20.3834 -20.3834 -20.2427 -20.2427 -1.0420 -1.0420 -1.0180 -1.0180 6.4914 6.4914 7.0249 7.0249 7.2555 7.2555 8.1069 8.1069 8.2278 8.2278 8.6416 8.6416 13.1209 13.1209 13.4082 13.4082 13.5833 13.5833 13.6202 13.6202 13.8624 13.8624 14.6812 14.6812 k = 0.2994 0.5186-0.0000 ( 5552 PWs) bands (ev): -44.2628 -44.2628 -44.2430 -44.2430 -21.0366 -21.0366 -21.0069 -21.0069 -20.4207 -20.4207 -20.3957 -20.3957 -20.3826 -20.3826 -20.2427 -20.2427 -1.0538 -1.0538 -1.0198 -1.0198 6.4727 6.4727 7.0379 7.0379 7.3107 7.3107 8.0820 8.0820 8.2402 8.2402 8.6483 8.6483 13.0658 13.0658 13.3924 13.3924 13.5924 13.5924 13.6209 13.6209 13.9155 13.9155 14.7077 14.7077 k = 0.2938 0.5089-0.0000 ( 5556 PWs) bands (ev): -44.2629 -44.2629 -44.2431 -44.2431 -21.0365 -21.0365 -21.0066 -21.0066 -20.4202 -20.4202 -20.3961 -20.3961 -20.3817 -20.3817 -20.2426 -20.2426 -1.0681 -1.0681 -1.0220 -1.0220 6.4586 6.4586 7.0512 7.0512 7.3700 7.3700 8.0531 8.0531 8.2544 8.2544 8.6566 8.6566 13.0090 13.0090 13.3779 13.3779 13.5998 13.5998 13.6239 13.6239 13.9681 13.9681 14.7376 14.7376 k = 0.2881 0.4991-0.0000 ( 5558 PWs) bands (ev): -44.2629 -44.2629 -44.2431 -44.2431 -21.0363 -21.0363 -21.0063 -21.0063 -20.4197 -20.4197 -20.3966 -20.3966 -20.3808 -20.3808 -20.2425 -20.2425 -1.0848 -1.0848 -1.0244 -1.0244 6.4497 6.4497 7.0653 7.0653 7.4318 7.4318 8.0208 8.0208 8.2702 8.2702 8.6667 8.6667 12.9513 12.9513 13.3646 13.3646 13.6060 13.6060 13.6290 13.6290 14.0195 14.0195 14.7695 14.7695 k = 0.2825 0.4893-0.0000 ( 5558 PWs) bands (ev): -44.2630 -44.2630 -44.2432 -44.2432 -21.0361 -21.0361 -21.0059 -21.0059 -20.4191 -20.4191 -20.3970 -20.3970 -20.3799 -20.3799 -20.2425 -20.2425 -1.1040 -1.1040 -1.0273 -1.0273 6.4465 6.4465 7.0807 7.0807 7.4951 7.4951 7.9853 7.9853 8.2877 8.2877 8.6786 8.6786 12.8929 12.8929 13.3527 13.3527 13.6119 13.6119 13.6358 13.6358 14.0693 14.0693 14.7981 14.7981 k = 0.2768 0.4795-0.0000 ( 5552 PWs) bands (ev): -44.2631 -44.2631 -44.2433 -44.2433 -21.0359 -21.0359 -21.0055 -21.0055 -20.4184 -20.4184 -20.3973 -20.3973 -20.3790 -20.3790 -20.2424 -20.2424 -1.1257 -1.1257 -1.0304 -1.0304 6.4494 6.4494 7.0975 7.0975 7.5584 7.5584 7.9474 7.9474 8.3069 8.3069 8.6924 8.6924 12.8344 12.8344 13.3421 13.3421 13.6181 13.6181 13.6438 13.6438 14.1171 14.1171 14.7746 14.7746 k = 0.2712 0.4697-0.0000 ( 5556 PWs) bands (ev): -44.2632 -44.2632 -44.2434 -44.2434 -21.0356 -21.0356 -21.0050 -21.0050 -20.4177 -20.4177 -20.3976 -20.3976 -20.3780 -20.3780 -20.2423 -20.2423 -1.1497 -1.1497 -1.0340 -1.0340 6.4585 6.4585 7.1159 7.1159 7.6197 7.6197 7.9090 7.9090 8.3278 8.3278 8.7082 8.7082 12.7758 12.7758 13.3329 13.3329 13.6250 13.6250 13.6528 13.6528 14.1624 14.1624 14.7190 14.7190 k = 0.2655 0.4599-0.0000 ( 5560 PWs) bands (ev): -44.2633 -44.2633 -44.2435 -44.2435 -21.0354 -21.0354 -21.0045 -21.0045 -20.4169 -20.4169 -20.3979 -20.3979 -20.3770 -20.3770 -20.2422 -20.2422 -1.1761 -1.1761 -1.0379 -1.0379 6.4739 6.4739 7.1359 7.1359 7.6740 7.6740 7.8749 7.8749 8.3504 8.3504 8.7261 8.7261 12.7175 12.7175 13.3250 13.3250 13.6328 13.6328 13.6626 13.6626 14.2049 14.2049 14.6614 14.6614 k = 0.2599 0.4501-0.0000 ( 5556 PWs) bands (ev): -44.2634 -44.2634 -44.2436 -44.2436 -21.0351 -21.0351 -21.0039 -21.0039 -20.4160 -20.4160 -20.3981 -20.3981 -20.3760 -20.3760 -20.2421 -20.2421 -1.2047 -1.2047 -1.0421 -1.0421 6.4957 6.4957 7.1574 7.1574 7.7056 7.7056 7.8608 7.8608 8.3748 8.3748 8.7462 8.7462 12.6597 12.6597 13.3185 13.3185 13.6415 13.6415 13.6732 13.6732 14.2442 14.2442 14.6039 14.6039 k = 0.2542 0.4404-0.0000 ( 5562 PWs) bands (ev): -44.2635 -44.2635 -44.2437 -44.2437 -21.0347 -21.0347 -21.0032 -21.0032 -20.4150 -20.4150 -20.3983 -20.3983 -20.3750 -20.3750 -20.2420 -20.2420 -1.2355 -1.2355 -1.0467 -1.0467 6.5238 6.5238 7.1805 7.1805 7.6945 7.6945 7.8866 7.8866 8.4010 8.4010 8.7686 8.7686 12.6025 12.6025 13.3133 13.3133 13.6510 13.6510 13.6843 13.6843 14.2797 14.2797 14.5469 14.5469 k = 0.2486 0.4306-0.0000 ( 5570 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0344 -21.0344 -21.0025 -21.0025 -20.4139 -20.4139 -20.3984 -20.3984 -20.3740 -20.3740 -20.2419 -20.2419 -1.2684 -1.2684 -1.0517 -1.0517 6.5583 6.5583 7.2047 7.2047 7.6551 7.6551 7.9383 7.9383 8.4290 8.4290 8.7932 8.7932 12.5460 12.5460 13.3096 13.3096 13.6613 13.6613 13.6958 13.6958 14.3110 14.3110 14.4909 14.4909 k = 0.2429 0.4208-0.0000 ( 5566 PWs) bands (ev): -44.2638 -44.2638 -44.2439 -44.2439 -21.0340 -21.0340 -21.0017 -21.0017 -20.4128 -20.4128 -20.3985 -20.3985 -20.3729 -20.3729 -20.2418 -20.2418 -1.3033 -1.3033 -1.0570 -1.0570 6.5990 6.5990 7.2298 7.2298 7.6051 7.6051 7.9984 7.9984 8.4588 8.4588 8.8203 8.8203 12.4905 12.4905 13.3071 13.3071 13.6722 13.6722 13.7075 13.7075 14.3373 14.3373 14.4361 14.4361 k = 0.2373 0.4110-0.0000 ( 5574 PWs) bands (ev): -44.2639 -44.2639 -44.2441 -44.2441 -21.0335 -21.0335 -21.0009 -21.0009 -20.4116 -20.4116 -20.3985 -20.3985 -20.3719 -20.3719 -20.2417 -20.2417 -1.3400 -1.3400 -1.0626 -1.0626 6.6459 6.6459 7.2546 7.2546 7.5518 7.5518 8.0610 8.0610 8.4905 8.4905 8.8498 8.8498 12.4360 12.4360 13.3059 13.3059 13.6835 13.6835 13.7189 13.7189 14.3575 14.3575 14.3833 14.3833 k = 0.2316 0.4012-0.0000 ( 5570 PWs) bands (ev): -44.2641 -44.2641 -44.2442 -44.2442 -21.0331 -21.0331 -21.0000 -21.0000 -20.4103 -20.4103 -20.3985 -20.3985 -20.3708 -20.3708 -20.2416 -20.2416 -1.3784 -1.3784 -1.0685 -1.0685 6.6989 6.6989 7.2767 7.2767 7.4996 7.4996 8.1240 8.1240 8.5242 8.5242 8.8818 8.8818 12.3827 12.3827 13.3060 13.3060 13.6951 13.6951 13.7295 13.7295 14.3306 14.3306 14.3734 14.3734 k = 0.2260 0.3914-0.0000 ( 5570 PWs) bands (ev): -44.2643 -44.2643 -44.2444 -44.2444 -21.0326 -21.0326 -20.9991 -20.9991 -20.4090 -20.4090 -20.3984 -20.3984 -20.3697 -20.3697 -20.2415 -20.2415 -1.4183 -1.4183 -1.0747 -1.0747 6.7577 6.7577 7.2887 7.2887 7.4567 7.4567 8.1864 8.1864 8.5597 8.5597 8.9163 8.9163 12.3306 12.3306 13.3073 13.3073 13.7066 13.7066 13.7389 13.7389 14.2821 14.2821 14.3809 14.3809 k = 0.2203 0.3816-0.0000 ( 5568 PWs) bands (ev): -44.2644 -44.2644 -44.2445 -44.2445 -21.0321 -21.0321 -20.9981 -20.9981 -20.4076 -20.4076 -20.3983 -20.3983 -20.3686 -20.3686 -20.2414 -20.2414 -1.4596 -1.4596 -1.0812 -1.0812 6.8223 6.8223 7.2762 7.2762 7.4382 7.4382 8.2478 8.2478 8.5971 8.5971 8.9534 8.9534 12.2800 12.2800 13.3098 13.3098 13.7176 13.7176 13.7461 13.7461 14.2370 14.2370 14.3811 14.3811 k = 0.2147 0.3719-0.0000 ( 5560 PWs) bands (ev): -44.2646 -44.2646 -44.2447 -44.2447 -21.0316 -21.0316 -20.9971 -20.9971 -20.4061 -20.4061 -20.3982 -20.3982 -20.3674 -20.3674 -20.2413 -20.2413 -1.5022 -1.5022 -1.0880 -1.0880 6.8924 6.8924 7.2346 7.2346 7.4489 7.4489 8.3077 8.3077 8.6365 8.6365 8.9931 8.9931 12.2309 12.2309 13.3133 13.3133 13.7269 13.7269 13.7510 13.7510 14.1964 14.1964 14.3739 14.3739 k = 0.2090 0.3621-0.0000 ( 5563 PWs) bands (ev): -44.2648 -44.2648 -44.2449 -44.2449 -21.0310 -21.0310 -20.9960 -20.9960 -20.4046 -20.4046 -20.3980 -20.3980 -20.3663 -20.3663 -20.2412 -20.2412 -1.5458 -1.5458 -1.0949 -1.0949 6.9680 6.9680 7.1775 7.1775 7.4757 7.4757 8.3660 8.3660 8.6779 8.6779 9.0355 9.0355 12.1833 12.1833 13.3179 13.3179 13.7316 13.7316 13.7547 13.7547 14.1618 14.1618 14.3591 14.3591 k = 0.2034 0.3523-0.0000 ( 5559 PWs) bands (ev): -44.2650 -44.2650 -44.2451 -44.2451 -21.0305 -21.0305 -20.9949 -20.9949 -20.4030 -20.4030 -20.3978 -20.3978 -20.3651 -20.3651 -20.2411 -20.2411 -1.5903 -1.5903 -1.1021 -1.1021 7.0487 7.0487 7.1138 7.1138 7.5098 7.5098 8.4222 8.4222 8.7212 8.7212 9.0806 9.0806 12.1374 12.1374 13.3235 13.3235 13.7271 13.7271 13.7603 13.7603 14.1345 14.1345 14.3373 14.3373 k = 0.1977 0.3425-0.0000 ( 5563 PWs) bands (ev): -44.2652 -44.2652 -44.2453 -44.2453 -21.0299 -21.0299 -20.9937 -20.9937 -20.4015 -20.4015 -20.3974 -20.3974 -20.3639 -20.3639 -20.2410 -20.2410 -1.6355 -1.6355 -1.1095 -1.1095 7.0470 7.0470 7.1346 7.1346 7.5478 7.5478 8.4764 8.4764 8.7664 8.7664 9.1283 9.1283 12.0932 12.0932 13.3299 13.3299 13.7125 13.7125 13.7675 13.7675 14.1153 14.1153 14.3092 14.3092 k = 0.1921 0.3327-0.0000 ( 5553 PWs) bands (ev): -44.2654 -44.2654 -44.2455 -44.2455 -21.0293 -21.0293 -20.9925 -20.9925 -20.4000 -20.4000 -20.3970 -20.3970 -20.3626 -20.3626 -20.2408 -20.2408 -1.6813 -1.6813 -1.1171 -1.1171 6.9787 6.9787 7.2251 7.2251 7.5885 7.5885 8.5283 8.5283 8.8136 8.8136 9.1788 9.1788 12.0508 12.0508 13.3371 13.3371 13.6894 13.6894 13.7742 13.7742 14.1040 14.1040 14.2755 14.2755 k = 0.1864 0.3229-0.0000 ( 5569 PWs) bands (ev): -44.2657 -44.2657 -44.2457 -44.2457 -21.0287 -21.0287 -20.9913 -20.9913 -20.3988 -20.3988 -20.3962 -20.3962 -20.3614 -20.3614 -20.2407 -20.2407 -1.7275 -1.7275 -1.1248 -1.1248 6.9097 6.9097 7.3202 7.3202 7.6311 7.6311 8.5778 8.5778 8.8628 8.8628 9.2319 9.2319 12.0101 12.0101 13.3449 13.3449 13.6594 13.6594 13.7796 13.7796 14.0998 14.0998 14.2371 14.2371 k = 0.1808 0.3131-0.0000 ( 5571 PWs) bands (ev): -44.2659 -44.2659 -44.2459 -44.2459 -21.0280 -21.0280 -20.9900 -20.9900 -20.3980 -20.3980 -20.3949 -20.3949 -20.3601 -20.3601 -20.2406 -20.2406 -1.7740 -1.7740 -1.1326 -1.1326 6.8404 6.8404 7.4195 7.4195 7.6755 7.6755 8.6248 8.6248 8.9139 8.9139 9.2878 9.2878 11.9713 11.9713 13.3532 13.3532 13.6240 13.6240 13.7831 13.7831 14.1013 14.1013 14.1950 14.1950 k = 0.1751 0.3034-0.0000 ( 5559 PWs) bands (ev): -44.2661 -44.2661 -44.2461 -44.2461 -21.0274 -21.0274 -20.9887 -20.9887 -20.3975 -20.3975 -20.3934 -20.3934 -20.3588 -20.3588 -20.2405 -20.2405 -1.8205 -1.8205 -1.1406 -1.1406 6.7712 6.7712 7.5228 7.5228 7.7214 7.7214 8.6693 8.6693 8.9669 8.9669 9.3463 9.3463 11.9342 11.9342 13.3618 13.3618 13.5847 13.5847 13.7841 13.7841 14.1068 14.1068 14.1500 14.1500 k = 0.1695 0.2936-0.0000 ( 5559 PWs) bands (ev): -44.2663 -44.2663 -44.2463 -44.2463 -21.0268 -21.0268 -20.9874 -20.9874 -20.3971 -20.3971 -20.3916 -20.3916 -20.3575 -20.3575 -20.2404 -20.2404 -1.8670 -1.8670 -1.1486 -1.1486 6.7024 6.7024 7.6296 7.6296 7.7688 7.7688 8.7112 8.7112 9.0218 9.0218 9.4075 9.4075 11.8990 11.8990 13.3706 13.3706 13.5430 13.5430 13.7823 13.7823 14.1005 14.1005 14.1174 14.1174 k = 0.1638 0.2838-0.0000 ( 5559 PWs) bands (ev): -44.2666 -44.2666 -44.2465 -44.2465 -21.0261 -21.0261 -20.9861 -20.9861 -20.3968 -20.3968 -20.3898 -20.3898 -20.3561 -20.3561 -20.2403 -20.2403 -1.9133 -1.9133 -1.1566 -1.1566 6.6342 6.6342 7.7386 7.7386 7.8184 7.8184 8.7507 8.7507 9.0785 9.0785 9.4713 9.4713 11.8655 11.8655 13.3791 13.3791 13.5000 13.5000 13.7773 13.7773 14.0524 14.0524 14.1269 14.1269 k = 0.1582 0.2740-0.0000 ( 5559 PWs) bands (ev): -44.2668 -44.2668 -44.2467 -44.2467 -21.0255 -21.0255 -20.9848 -20.9848 -20.3965 -20.3965 -20.3880 -20.3880 -20.3548 -20.3548 -20.2402 -20.2402 -1.9592 -1.9592 -1.1647 -1.1647 6.5669 6.5669 7.8418 7.8418 7.8779 7.8779 8.7879 8.7879 9.1371 9.1371 9.5376 9.5376 11.8337 11.8337 13.3869 13.3869 13.4567 13.4567 13.7688 13.7688 14.0020 14.0020 14.1387 14.1387 k = 0.1525 0.2642-0.0000 ( 5567 PWs) bands (ev): -44.2670 -44.2670 -44.2469 -44.2469 -21.0248 -21.0248 -20.9834 -20.9834 -20.3962 -20.3962 -20.3861 -20.3861 -20.3534 -20.3534 -20.2401 -20.2401 -2.0047 -2.0047 -1.1728 -1.1728 6.5005 6.5005 7.9074 7.9074 7.9783 7.9783 8.8230 8.8230 9.1974 9.1974 9.6065 9.6065 11.8036 11.8036 13.3894 13.3894 13.4178 13.4178 13.7565 13.7565 13.9508 13.9508 14.1513 14.1513 k = 0.1469 0.2544-0.0000 ( 5559 PWs) bands (ev): -44.2673 -44.2673 -44.2472 -44.2472 -21.0242 -21.0242 -20.9821 -20.9821 -20.3959 -20.3959 -20.3841 -20.3841 -20.3520 -20.3520 -20.2400 -20.2400 -2.0496 -2.0496 -1.1808 -1.1808 6.4353 6.4353 7.9598 7.9598 8.0947 8.0947 8.8565 8.8565 9.2596 9.2596 9.6777 9.6777 11.7751 11.7751 13.3613 13.3613 13.4091 13.4091 13.7401 13.7401 13.8992 13.8992 14.1643 14.1643 k = 0.1412 0.2446-0.0000 ( 5567 PWs) bands (ev): -44.2675 -44.2675 -44.2474 -44.2474 -21.0235 -21.0235 -20.9807 -20.9807 -20.3957 -20.3957 -20.3822 -20.3822 -20.3506 -20.3506 -20.2399 -20.2399 -2.0937 -2.0937 -1.1887 -1.1887 6.3715 6.3715 8.0110 8.0110 8.2138 8.2138 8.8890 8.8890 9.3234 9.3234 9.7513 9.7513 11.7482 11.7482 13.3192 13.3192 13.4136 13.4136 13.7194 13.7194 13.8476 13.8476 14.1773 14.1773 k = 0.1356 0.2349-0.0000 ( 5575 PWs) bands (ev): -44.2678 -44.2678 -44.2476 -44.2476 -21.0229 -21.0229 -20.9794 -20.9794 -20.3954 -20.3954 -20.3803 -20.3803 -20.3492 -20.3492 -20.2397 -20.2397 -2.1369 -2.1369 -1.1966 -1.1966 6.3092 6.3092 8.0621 8.0621 8.3334 8.3334 8.9215 8.9215 9.3889 9.3889 9.8271 9.8271 11.7228 11.7228 13.2765 13.2765 13.4181 13.4181 13.6944 13.6944 13.7962 13.7962 14.1902 14.1902 k = 0.1299 0.2251-0.0000 ( 5567 PWs) bands (ev): -44.2680 -44.2680 -44.2478 -44.2478 -21.0223 -21.0223 -20.9781 -20.9781 -20.3952 -20.3952 -20.3784 -20.3784 -20.3478 -20.3478 -20.2396 -20.2396 -2.1793 -2.1793 -1.2044 -1.2044 6.2485 6.2485 8.1132 8.1132 8.4511 8.4511 8.9560 8.9560 9.4560 9.4560 9.9050 9.9050 11.6988 11.6988 13.2342 13.2342 13.4211 13.4211 13.6650 13.6650 13.7454 13.7454 14.2028 14.2028 k = 0.1243 0.2153-0.0000 ( 5575 PWs) bands (ev): -44.2682 -44.2682 -44.2480 -44.2480 -21.0217 -21.0217 -20.9768 -20.9768 -20.3950 -20.3950 -20.3765 -20.3765 -20.3464 -20.3464 -20.2395 -20.2395 -2.2205 -2.2205 -1.2121 -1.2121 6.1896 6.1896 8.1643 8.1643 8.5635 8.5635 8.9955 8.9955 9.5248 9.5248 9.9848 9.9848 11.6761 11.6761 13.1929 13.1929 13.4218 13.4218 13.6313 13.6313 13.6955 13.6955 14.2149 14.2149 k = 0.1186 0.2055-0.0000 ( 5585 PWs) bands (ev): -44.2684 -44.2684 -44.2482 -44.2482 -21.0211 -21.0211 -20.9755 -20.9755 -20.3948 -20.3948 -20.3746 -20.3746 -20.3450 -20.3450 -20.2394 -20.2394 -2.2606 -2.2606 -1.2195 -1.2195 6.1325 6.1325 8.2151 8.2151 8.6652 8.6652 9.0454 9.0454 9.5951 9.5951 10.0663 10.0663 11.6546 11.6546 13.1528 13.1528 13.4194 13.4194 13.5934 13.5934 13.6464 13.6464 14.2266 14.2266 k = 0.1130 0.1957-0.0000 ( 5581 PWs) bands (ev): -44.2687 -44.2687 -44.2485 -44.2485 -21.0205 -21.0205 -20.9742 -20.9742 -20.3946 -20.3946 -20.3728 -20.3728 -20.3436 -20.3436 -20.2393 -20.2393 -2.2994 -2.2994 -1.2269 -1.2269 6.0774 6.0774 8.2656 8.2656 8.7493 8.7493 9.1122 9.1122 9.6669 9.6669 10.1495 10.1495 11.6344 11.6344 13.1139 13.1139 13.4134 13.4134 13.5522 13.5522 13.5981 13.5981 14.2376 14.2376 k = 0.1073 0.1859-0.0000 ( 5581 PWs) bands (ev): -44.2689 -44.2689 -44.2487 -44.2487 -21.0199 -21.0199 -20.9730 -20.9730 -20.3944 -20.3944 -20.3710 -20.3710 -20.3422 -20.3422 -20.2392 -20.2392 -2.3368 -2.3368 -1.2340 -1.2340 6.0244 6.0244 8.3156 8.3156 8.8119 8.8119 9.1998 9.1998 9.7402 9.7402 10.2341 10.2341 11.6153 11.6153 13.0763 13.0763 13.4024 13.4024 13.5088 13.5088 13.5501 13.5501 14.2481 14.2481 k = 0.1017 0.1761-0.0000 ( 5585 PWs) bands (ev): -44.2691 -44.2691 -44.2488 -44.2488 -21.0194 -21.0194 -20.9718 -20.9718 -20.3942 -20.3942 -20.3692 -20.3692 -20.3409 -20.3409 -20.2391 -20.2391 -2.3728 -2.3728 -1.2408 -1.2408 5.9736 5.9736 8.3648 8.3648 8.8551 8.8551 9.3055 9.3055 9.8152 9.8152 10.3197 10.3197 11.5974 11.5974 13.0403 13.0403 13.3853 13.3853 13.4648 13.4648 13.5018 13.5018 14.2580 14.2580 k = 0.0960 0.1664-0.0000 ( 5589 PWs) bands (ev): -44.2693 -44.2693 -44.2490 -44.2490 -21.0188 -21.0188 -20.9707 -20.9707 -20.3941 -20.3941 -20.3675 -20.3675 -20.3396 -20.3396 -20.2389 -20.2389 -2.4073 -2.4073 -1.2475 -1.2475 5.9250 5.9250 8.4130 8.4130 8.8847 8.8847 9.4232 9.4232 9.8918 9.8918 10.4063 10.4063 11.5804 11.5804 13.0058 13.0058 13.3598 13.3598 13.4224 13.4224 13.4531 13.4531 14.2672 14.2672 k = 0.0904 0.1566-0.0000 ( 5589 PWs) bands (ev): -44.2695 -44.2695 -44.2492 -44.2492 -21.0183 -21.0183 -20.9695 -20.9695 -20.3939 -20.3939 -20.3659 -20.3659 -20.3383 -20.3383 -20.2388 -20.2388 -2.4402 -2.4402 -1.2538 -1.2538 5.8788 5.8788 8.4601 8.4601 8.9057 8.9057 9.5472 9.5472 9.9704 9.9704 10.4935 10.4935 11.5646 11.5646 12.9729 12.9729 13.3245 13.3245 13.3830 13.3830 13.4037 13.4037 14.2757 14.2757 k = 0.0847 0.1468-0.0000 ( 5589 PWs) bands (ev): -44.2697 -44.2697 -44.2494 -44.2494 -21.0179 -21.0179 -20.9685 -20.9685 -20.3938 -20.3938 -20.3643 -20.3643 -20.3371 -20.3371 -20.2387 -20.2387 -2.4714 -2.4714 -1.2599 -1.2599 5.8350 5.8350 8.5057 8.5057 8.9211 8.9211 9.6737 9.6737 10.0513 10.0513 10.5811 10.5811 11.5497 11.5497 12.9418 12.9418 13.2811 13.2811 13.3444 13.3444 13.3542 13.3542 14.2836 14.2836 k = 0.0791 0.1370-0.0000 ( 5583 PWs) bands (ev): -44.2699 -44.2699 -44.2496 -44.2496 -21.0174 -21.0174 -20.9675 -20.9675 -20.3937 -20.3937 -20.3628 -20.3628 -20.3359 -20.3359 -20.2386 -20.2386 -2.5009 -2.5009 -1.2657 -1.2657 5.7938 5.7938 8.5496 8.5496 8.9331 8.9331 9.7994 9.7994 10.1352 10.1352 10.6685 10.6685 11.5359 11.5359 12.9124 12.9124 13.2330 13.2330 13.3004 13.3004 13.3077 13.3077 14.2909 14.2909 k = 0.0734 0.1272-0.0000 ( 5579 PWs) bands (ev): -44.2700 -44.2700 -44.2497 -44.2497 -21.0170 -21.0170 -20.9665 -20.9665 -20.3936 -20.3936 -20.3614 -20.3614 -20.3348 -20.3348 -20.2385 -20.2385 -2.5287 -2.5287 -1.2711 -1.2711 5.7551 5.7551 8.5914 8.5914 8.9426 8.9426 9.9215 9.9215 10.2230 10.2230 10.7555 10.7555 11.5232 11.5232 12.8848 12.8848 13.1825 13.1825 13.2503 13.2503 13.2631 13.2631 14.2975 14.2975 k = 0.0678 0.1174-0.0000 ( 5587 PWs) bands (ev): -44.2702 -44.2702 -44.2499 -44.2499 -21.0166 -21.0166 -20.9656 -20.9656 -20.3935 -20.3935 -20.3600 -20.3600 -20.3337 -20.3337 -20.2384 -20.2384 -2.5545 -2.5545 -1.2763 -1.2763 5.7190 5.7190 8.6309 8.6309 8.9506 8.9506 10.0372 10.0372 10.3161 10.3161 10.8416 10.8416 11.5117 11.5117 12.8590 12.8590 13.1308 13.1308 13.1991 13.1991 13.2151 13.2151 14.3035 14.3035 k = 0.0621 0.1076-0.0000 ( 5593 PWs) bands (ev): -44.2704 -44.2704 -44.2500 -44.2500 -21.0162 -21.0162 -20.9648 -20.9648 -20.3934 -20.3934 -20.3588 -20.3588 -20.3327 -20.3327 -20.2383 -20.2383 -2.5785 -2.5785 -1.2810 -1.2810 5.6856 5.6856 8.6676 8.6676 8.9577 8.9577 10.1442 10.1442 10.4152 10.4152 10.9263 10.9263 11.5016 11.5016 12.8351 12.8351 13.0787 13.0787 13.1472 13.1472 13.1635 13.1635 14.3088 14.3088 k = 0.0565 0.0979-0.0000 ( 5597 PWs) bands (ev): -44.2705 -44.2705 -44.2501 -44.2501 -21.0159 -21.0159 -20.9640 -20.9640 -20.3933 -20.3933 -20.3576 -20.3576 -20.3317 -20.3317 -20.2382 -20.2382 -2.6006 -2.6006 -1.2854 -1.2854 5.6550 5.6550 8.7012 8.7012 8.9643 8.9643 10.2410 10.2410 10.5199 10.5199 11.0088 11.0088 11.4930 11.4930 12.8132 12.8132 13.0270 13.0270 13.0949 13.0949 13.1091 13.1091 14.3136 14.3136 k = 0.0508 0.0881-0.0000 ( 5609 PWs) bands (ev): -44.2706 -44.2706 -44.2503 -44.2503 -21.0156 -21.0156 -20.9633 -20.9633 -20.3933 -20.3933 -20.3565 -20.3565 -20.3309 -20.3309 -20.2381 -20.2381 -2.6207 -2.6207 -1.2894 -1.2894 5.6271 5.6271 8.7315 8.7315 8.9709 8.9709 10.3280 10.3280 10.6283 10.6283 11.0883 11.0883 11.4864 11.4864 12.7932 12.7932 12.9762 12.9762 13.0420 13.0420 13.0531 13.0531 14.3177 14.3177 k = 0.0452 0.0783-0.0000 ( 5609 PWs) bands (ev): -44.2707 -44.2707 -44.2504 -44.2504 -21.0153 -21.0153 -20.9627 -20.9627 -20.3932 -20.3932 -20.3556 -20.3556 -20.3301 -20.3301 -20.2380 -20.2380 -2.6387 -2.6387 -1.2931 -1.2931 5.6021 5.6021 8.7579 8.7579 8.9777 8.9777 10.4060 10.4060 10.7374 10.7374 11.1634 11.1634 11.4826 11.4826 12.7751 12.7751 12.9271 12.9271 12.9886 12.9886 12.9969 12.9969 14.3213 14.3213 k = 0.0395 0.0685-0.0000 ( 5605 PWs) bands (ev): -44.2709 -44.2709 -44.2505 -44.2505 -21.0150 -21.0150 -20.9621 -20.9621 -20.3932 -20.3932 -20.3547 -20.3547 -20.3294 -20.3294 -20.2379 -20.2379 -2.6548 -2.6548 -1.2963 -1.2963 5.5799 5.5799 8.7804 8.7804 8.9848 8.9848 10.4759 10.4759 10.8438 10.8438 11.2321 11.2321 11.4830 11.4830 12.7590 12.7590 12.8803 12.8803 12.9352 12.9352 12.9418 12.9418 14.3241 14.3242 k = 0.0339 0.0587-0.0000 ( 5611 PWs) bands (ev): -44.2709 -44.2709 -44.2505 -44.2505 -21.0148 -21.0148 -20.9616 -20.9616 -20.3931 -20.3931 -20.3540 -20.3540 -20.3287 -20.3287 -20.2379 -20.2379 -2.6687 -2.6687 -1.2991 -1.2991 5.5606 5.5606 8.7990 8.7990 8.9923 8.9923 10.5381 10.5381 10.9443 10.9443 11.2908 11.2908 11.4904 11.4904 12.7447 12.7447 12.8367 12.8367 12.8833 12.8833 12.8888 12.8888 14.3263 14.3263 k = 0.0282 0.0489-0.0000 ( 5611 PWs) bands (ev): -44.2710 -44.2710 -44.2506 -44.2506 -21.0146 -21.0146 -20.9612 -20.9612 -20.3931 -20.3931 -20.3533 -20.3533 -20.3282 -20.3282 -20.2378 -20.2378 -2.6805 -2.6805 -1.3015 -1.3015 5.5442 5.5442 8.8138 8.8138 8.9998 8.9998 10.5924 10.5924 11.0359 11.0359 11.3351 11.3351 11.5084 11.5084 12.7322 12.7322 12.7971 12.7971 12.8350 12.8350 12.8386 12.8386 14.3278 14.3278 k = 0.0226 0.0391-0.0000 ( 5615 PWs) bands (ev): -44.2711 -44.2711 -44.2507 -44.2507 -21.0145 -21.0145 -20.9609 -20.9609 -20.3930 -20.3930 -20.3528 -20.3528 -20.3278 -20.3278 -20.2378 -20.2378 -2.6903 -2.6903 -1.3035 -1.3035 5.5308 5.5308 8.8250 8.8250 9.0069 9.0069 10.6385 10.6385 11.1154 11.1154 11.3628 11.3628 11.5375 11.5375 12.7209 12.7209 12.7625 12.7625 12.7906 12.7906 12.7946 12.7946 14.3285 14.3285 k = 0.0169 0.0294-0.0000 ( 5603 PWs) bands (ev): -44.2711 -44.2711 -44.2507 -44.2507 -21.0144 -21.0144 -20.9606 -20.9606 -20.3930 -20.3930 -20.3524 -20.3524 -20.3274 -20.3274 -20.2377 -20.2377 -2.6978 -2.6978 -1.3050 -1.3050 5.5203 5.5203 8.8332 8.8332 9.0131 9.0131 10.6755 10.6755 11.1802 11.1802 11.3778 11.3778 11.5720 11.5720 12.7095 12.7095 12.7347 12.7347 12.7505 12.7505 12.7609 12.7609 14.3286 14.3286 k = 0.0113 0.0196-0.0000 ( 5589 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0143 -21.0143 -20.9604 -20.9604 -20.3930 -20.3930 -20.3521 -20.3521 -20.3272 -20.3272 -20.2377 -20.2377 -2.7032 -2.7032 -1.3061 -1.3061 5.5129 5.5129 8.8387 8.8387 9.0180 9.0180 10.7026 10.7026 11.2276 11.2276 11.3860 11.3860 11.6034 11.6034 12.6958 12.6958 12.7144 12.7144 12.7213 12.7213 12.7378 12.7378 14.3284 14.3285 k = 0.0056 0.0098-0.0000 ( 5581 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0142 -21.0142 -20.9603 -20.9603 -20.3930 -20.3930 -20.3519 -20.3519 -20.3270 -20.3270 -20.2377 -20.2377 -2.7065 -2.7065 -1.3068 -1.3068 5.5084 5.5084 8.8418 8.8418 9.0210 9.0210 10.7193 10.7193 11.2561 11.2561 11.3905 11.3905 11.6250 11.6250 12.6834 12.6834 12.6961 12.6961 12.7097 12.7097 12.7257 12.7257 14.3282 14.3282 k = 0.0000 0.0000 0.0000 ( 5589 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0142 -21.0142 -20.9602 -20.9602 -20.3930 -20.3930 -20.3518 -20.3518 -20.3270 -20.3270 -20.2377 -20.2377 -2.7076 -2.7076 -1.3070 -1.3070 5.5069 5.5069 8.8428 8.8428 9.0221 9.0221 10.7249 10.7249 11.2656 11.2656 11.3920 11.3920 11.6326 11.6326 12.6786 12.6786 12.6892 12.6892 12.7062 12.7062 12.7222 12.7222 14.3281 14.3281 k = 0.0000 0.0000 0.0000 ( 5589 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0142 -21.0142 -20.9602 -20.9602 -20.3930 -20.3930 -20.3518 -20.3518 -20.3270 -20.3270 -20.2377 -20.2377 -2.7076 -2.7076 -1.3070 -1.3070 5.5069 5.5069 8.8428 8.8428 9.0221 9.0221 10.7249 10.7249 11.2656 11.2656 11.3920 11.3920 11.6326 11.6326 12.6786 12.6786 12.6892 12.6892 12.7062 12.7062 12.7222 12.7222 14.3281 14.3281 k = 0.0000 0.0000 0.0110 ( 5577 PWs) bands (ev): -44.2712 -44.2712 -44.2508 -44.2508 -21.0141 -21.0141 -20.9603 -20.9603 -20.3929 -20.3929 -20.3518 -20.3518 -20.3270 -20.3270 -20.2378 -20.2378 -2.7066 -2.7066 -1.3087 -1.3087 5.5105 5.5105 8.8441 8.8441 9.0233 9.0233 10.7048 10.7048 11.2704 11.2704 11.3959 11.3959 11.6226 11.6226 12.6828 12.6828 12.6902 12.6902 12.7132 12.7132 12.7302 12.7302 14.3272 14.3272 k = 0.0000 0.0000 0.0220 ( 5595 PWs) bands (ev): -44.2711 -44.2711 -44.2509 -44.2509 -21.0139 -21.0139 -20.9604 -20.9604 -20.3925 -20.3925 -20.3518 -20.3518 -20.3271 -20.3271 -20.2383 -20.2383 -2.7035 -2.7035 -1.3138 -1.3138 5.5212 5.5212 8.8477 8.8477 9.0270 9.0270 10.6501 10.6501 11.2708 11.2708 11.4165 11.4165 11.5939 11.5939 12.6899 12.6899 12.6930 12.6930 12.7384 12.7384 12.7537 12.7537 14.3245 14.3245 k = 0.0000 0.0000 0.0330 ( 5601 PWs) bands (ev): -44.2710 -44.2710 -44.2510 -44.2510 -21.0136 -21.0136 -20.9605 -20.9605 -20.3919 -20.3919 -20.3516 -20.3516 -20.3272 -20.3272 -20.2391 -20.2391 -2.6985 -2.6985 -1.3223 -1.3223 5.5391 5.5391 8.8538 8.8538 9.0332 9.0332 10.5712 10.5712 11.2496 11.2496 11.4623 11.4623 11.5492 11.5492 12.6966 12.6966 12.6978 12.6978 12.7822 12.7822 12.7910 12.7910 14.3203 14.3203 k = 0.0000 0.0000 0.0440 ( 5589 PWs) bands (ev): -44.2709 -44.2709 -44.2511 -44.2511 -21.0131 -21.0131 -20.9608 -20.9608 -20.3911 -20.3911 -20.3515 -20.3515 -20.3273 -20.3273 -20.2403 -20.2403 -2.6914 -2.6914 -1.3340 -1.3340 5.5640 5.5640 8.8624 8.8624 9.0419 9.0419 10.4763 10.4763 11.2094 11.2094 11.4921 11.4921 11.5250 11.5250 12.7041 12.7041 12.7044 12.7044 12.8396 12.8396 12.8398 12.8398 14.3148 14.3148 k = 0.0000 0.0000 0.0550 ( 5601 PWs) bands (ev): -44.2707 -44.2707 -44.2512 -44.2512 -21.0125 -21.0125 -20.9611 -20.9611 -20.3900 -20.3900 -20.3513 -20.3513 -20.3275 -20.3275 -20.2417 -20.2417 -2.6824 -2.6824 -1.3490 -1.3490 5.5959 5.5959 8.8734 8.8734 9.0530 9.0530 10.3706 10.3706 11.1566 11.1566 11.4260 11.4260 11.5956 11.5956 12.7129 12.7129 12.7130 12.7130 12.8976 12.8976 12.9062 12.9062 14.3084 14.3084 k = 0.0000 0.0000 0.0660 ( 5601 PWs) bands (ev): -44.2705 -44.2705 -44.2514 -44.2514 -21.0118 -21.0118 -20.9614 -20.9614 -20.3887 -20.3887 -20.3510 -20.3510 -20.3278 -20.3278 -20.2434 -20.2434 -2.6714 -2.6714 -1.3670 -1.3670 5.6346 5.6346 8.8868 8.8868 9.0666 9.0666 10.2571 10.2571 11.0951 11.0951 11.3535 11.3535 11.6697 11.6697 12.7233 12.7233 12.7235 12.7235 12.9620 12.9620 12.9785 12.9785 14.3017 14.3017 k = 0.0000 0.0000 0.0770 ( 5613 PWs) bands (ev): -44.2703 -44.2703 -44.2517 -44.2517 -21.0110 -21.0110 -20.9618 -20.9618 -20.3872 -20.3872 -20.3508 -20.3508 -20.3281 -20.3281 -20.2455 -20.2455 -2.6584 -2.6584 -1.3880 -1.3880 5.6800 5.6800 8.9027 8.9027 9.0826 9.0826 10.1375 10.1375 11.0275 11.0275 11.2766 11.2766 11.7452 11.7452 12.7354 12.7354 12.7359 12.7359 13.0306 13.0306 13.0537 13.0537 14.2954 14.2954 k = 0.0000 0.0000 0.0880 ( 5625 PWs) bands (ev): -44.2700 -44.2700 -44.2520 -44.2520 -21.0100 -21.0100 -20.9623 -20.9623 -20.3855 -20.3855 -20.3504 -20.3504 -20.3284 -20.3284 -20.2478 -20.2478 -2.6435 -2.6435 -1.4118 -1.4118 5.7319 5.7319 8.9209 8.9209 9.1011 9.1011 10.0130 10.0130 10.9557 10.9557 11.1968 11.1968 11.8212 11.8212 12.7494 12.7494 12.7499 12.7499 13.1011 13.1011 13.1291 13.1291 14.2906 14.2906 k = 0.0000 0.0000 0.0990 ( 5637 PWs) bands (ev): -44.2697 -44.2697 -44.2523 -44.2523 -21.0089 -21.0089 -20.9629 -20.9629 -20.3835 -20.3835 -20.3501 -20.3501 -20.3288 -20.3288 -20.2504 -20.2504 -2.6266 -2.6266 -1.4381 -1.4381 5.7901 5.7901 8.9416 8.9416 9.1220 9.1220 9.8846 9.8846 10.8810 10.8810 11.1153 11.1153 11.8972 11.8972 12.7652 12.7652 12.7657 12.7657 13.1713 13.1713 13.2024 13.2024 14.2884 14.2884 k = 0.0000 0.0000 0.1100 ( 5631 PWs) bands (ev): -44.2694 -44.2694 -44.2526 -44.2526 -21.0078 -21.0078 -20.9635 -20.9635 -20.3813 -20.3813 -20.3496 -20.3496 -20.3292 -20.3292 -20.2533 -20.2533 -2.6079 -2.6079 -1.4669 -1.4669 5.8544 5.8544 8.9647 8.9647 9.1454 9.1454 9.7528 9.7528 10.8043 10.8043 11.0328 11.0328 11.9731 11.9731 12.7827 12.7827 12.7833 12.7833 13.2388 13.2388 13.2713 13.2713 14.2906 14.2906 k = 0.0000 0.0000 0.1210 ( 5625 PWs) bands (ev): -44.2690 -44.2690 -44.2530 -44.2530 -21.0065 -21.0065 -20.9642 -20.9642 -20.3789 -20.3789 -20.3492 -20.3492 -20.3296 -20.3296 -20.2564 -20.2564 -2.5874 -2.5874 -1.4979 -1.4979 5.9246 5.9246 8.9902 8.9902 9.1711 9.1711 9.6183 9.6183 10.7265 10.7265 10.9499 10.9499 12.0491 12.0491 12.8019 12.8019 12.8025 12.8025 13.3014 13.3014 13.3333 13.3333 14.2989 14.2989 k = 0.0000 0.0000 0.1320 ( 5625 PWs) bands (ev): -44.2686 -44.2686 -44.2534 -44.2534 -21.0052 -21.0052 -20.9650 -20.9650 -20.3762 -20.3762 -20.3487 -20.3487 -20.3301 -20.3301 -20.2598 -20.2598 -2.5650 -2.5650 -1.5310 -1.5310 6.0005 6.0005 9.0180 9.0180 9.1993 9.1993 9.4816 9.4816 10.6481 10.6481 10.8671 10.8671 12.1251 12.1251 12.8227 12.8227 12.8234 12.8234 13.3565 13.3565 13.3861 13.3861 14.3153 14.3153 k = 0.0000 0.0000 0.1430 ( 5595 PWs) bands (ev): -44.2682 -44.2682 -44.2538 -44.2538 -21.0038 -21.0038 -20.9658 -20.9658 -20.3734 -20.3734 -20.3482 -20.3482 -20.3306 -20.3306 -20.2633 -20.2633 -2.5410 -2.5410 -1.5659 -1.5659 6.0818 6.0818 9.0483 9.0483 9.2299 9.2299 9.3430 9.3430 10.5697 10.5697 10.7848 10.7848 12.2014 12.2014 12.8452 12.8452 12.8459 12.8459 13.4020 13.4020 13.4280 13.4280 14.3418 14.3418 k = 0.0000 0.0000 0.1541 ( 5584 PWs) bands (ev): -44.2678 -44.2678 -44.2542 -44.2542 -21.0023 -21.0023 -20.9667 -20.9667 -20.3703 -20.3703 -20.3477 -20.3477 -20.3312 -20.3312 -20.2671 -20.2671 -2.5152 -2.5152 -1.6024 -1.6024 6.1684 6.1684 9.0808 9.0808 9.2030 9.2030 9.2629 9.2629 10.4915 10.4915 10.7033 10.7033 12.2781 12.2781 12.8692 12.8692 12.8699 12.8699 13.4363 13.4363 13.4580 13.4580 14.3798 14.3798 k = 0.0000 0.0000 0.1651 ( 5584 PWs) bands (ev): -44.2673 -44.2673 -44.2547 -44.2547 -21.0007 -21.0007 -20.9677 -20.9677 -20.3671 -20.3671 -20.3471 -20.3471 -20.3317 -20.3317 -20.2711 -20.2711 -2.4877 -2.4877 -1.6403 -1.6403 6.2599 6.2599 9.0619 9.0619 9.1157 9.1157 9.2983 9.2983 10.4139 10.4139 10.6227 10.6227 12.3554 12.3554 12.8947 12.8947 12.8954 12.8954 13.4587 13.4587 13.4760 13.4760 14.3445 14.3445 k = 0.0000 0.0000 0.1761 ( 5584 PWs) bands (ev): -44.2668 -44.2668 -44.2552 -44.2552 -20.9991 -20.9991 -20.9687 -20.9687 -20.3637 -20.3637 -20.3465 -20.3465 -20.3324 -20.3324 -20.2752 -20.2752 -2.4587 -2.4587 -1.6794 -1.6794 6.3562 6.3562 8.9201 8.9201 9.1530 9.1530 9.3360 9.3360 10.3371 10.3371 10.5433 10.5433 12.4335 12.4335 12.9216 12.9216 12.9223 12.9223 13.4697 13.4697 13.4829 13.4829 14.2451 14.2451 k = 0.0000 0.0000 0.1871 ( 5584 PWs) bands (ev): -44.2663 -44.2663 -44.2557 -44.2557 -20.9975 -20.9975 -20.9698 -20.9698 -20.3600 -20.3600 -20.3459 -20.3459 -20.3330 -20.3330 -20.2795 -20.2795 -2.4281 -2.4281 -1.7195 -1.7195 6.4569 6.4569 8.7780 8.7780 9.1925 9.1925 9.3760 9.3760 10.2614 10.2614 10.4652 10.4652 12.5125 12.5125 12.9498 12.9498 12.9505 12.9505 13.4704 13.4704 13.4803 13.4803 14.1457 14.1457 k = 0.0000 0.0000 0.1981 ( 5602 PWs) bands (ev): -44.2657 -44.2657 -44.2563 -44.2563 -20.9958 -20.9958 -20.9710 -20.9710 -20.3563 -20.3563 -20.3452 -20.3452 -20.3336 -20.3336 -20.2839 -20.2839 -2.3960 -2.3960 -1.7605 -1.7605 6.5620 6.5620 8.6358 8.6358 9.2343 9.2343 9.4184 9.4184 10.1868 10.1868 10.3886 10.3886 12.5926 12.5926 12.9792 12.9792 12.9799 12.9799 13.4625 13.4625 13.4697 13.4697 14.0466 14.0466 k = 0.0000 0.0000 0.2091 ( 5590 PWs) bands (ev): -44.2652 -44.2652 -44.2568 -44.2568 -20.9941 -20.9941 -20.9722 -20.9722 -20.3523 -20.3523 -20.3445 -20.3445 -20.3343 -20.3343 -20.2884 -20.2884 -2.3626 -2.3626 -1.8021 -1.8021 6.6711 6.6711 8.4938 8.4938 9.2784 9.2784 9.4631 9.4631 10.1137 10.1137 10.3135 10.3135 12.6738 12.6738 13.0098 13.0098 13.0106 13.0106 13.4476 13.4476 13.4527 13.4527 13.9480 13.9480 k = 0.0000 0.0000 0.2201 ( 5590 PWs) bands (ev): -44.2646 -44.2646 -44.2574 -44.2574 -20.9924 -20.9924 -20.9735 -20.9735 -20.3482 -20.3482 -20.3438 -20.3438 -20.3350 -20.3350 -20.2930 -20.2930 -2.3278 -2.3278 -1.8441 -1.8441 6.7839 6.7839 8.3523 8.3523 9.3247 9.3247 9.5100 9.5100 10.0420 10.0420 10.2401 10.2401 12.7562 12.7562 13.0413 13.0413 13.0422 13.0422 13.4272 13.4272 13.4308 13.4308 13.8499 13.8499 k = 0.0000 0.0000 0.2311 ( 5584 PWs) bands (ev): -44.2640 -44.2640 -44.2580 -44.2580 -20.9907 -20.9907 -20.9748 -20.9748 -20.3440 -20.3440 -20.3431 -20.3431 -20.3357 -20.3357 -20.2977 -20.2977 -2.2918 -2.2918 -1.8864 -1.8864 6.9004 6.9004 8.2116 8.2116 9.3732 9.3732 9.5592 9.5592 9.9718 9.9718 10.1684 10.1684 12.8400 12.8400 13.0738 13.0738 13.0747 13.0747 13.4026 13.4026 13.4050 13.4050 13.7526 13.7526 k = 0.0000 0.0000 0.2421 ( 5584 PWs) bands (ev): -44.2634 -44.2634 -44.2586 -44.2586 -20.9890 -20.9890 -20.9762 -20.9762 -20.3424 -20.3424 -20.3397 -20.3397 -20.3364 -20.3364 -20.3024 -20.3024 -2.2546 -2.2546 -1.9288 -1.9288 7.0202 7.0202 8.0719 8.0719 9.4239 9.4239 9.6106 9.6106 9.9034 9.9034 10.0985 10.0985 12.9250 12.9250 13.1069 13.1069 13.1080 13.1080 13.3749 13.3749 13.3763 13.3763 13.6563 13.6563 k = 0.0000 0.0000 0.2531 ( 5584 PWs) bands (ev): -44.2628 -44.2628 -44.2592 -44.2592 -20.9873 -20.9873 -20.9777 -20.9777 -20.3417 -20.3417 -20.3372 -20.3372 -20.3352 -20.3352 -20.3071 -20.3071 -2.2164 -2.2164 -1.9712 -1.9712 7.1431 7.1431 7.9335 7.9335 9.4767 9.4767 9.6643 9.6643 9.8367 9.8367 10.0304 10.0304 13.0113 13.0113 13.1406 13.1406 13.1419 13.1419 13.3449 13.3449 13.3454 13.3454 13.5610 13.5610 k = 0.0000 0.0000 0.2641 ( 5590 PWs) bands (ev): -44.2622 -44.2622 -44.2598 -44.2598 -20.9856 -20.9856 -20.9792 -20.9792 -20.3409 -20.3409 -20.3379 -20.3379 -20.3307 -20.3307 -20.3119 -20.3119 -2.1773 -2.1773 -2.0134 -2.0134 7.2689 7.2689 7.7966 7.7966 9.5317 9.5317 9.7201 9.7201 9.7718 9.7718 9.9643 9.9643 13.0986 13.0986 13.1744 13.1744 13.1763 13.1763 13.3130 13.3130 13.3135 13.3135 13.4669 13.4669 k = 0.0000 0.0000 0.2751 ( 5590 PWs) bands (ev): -44.2616 -44.2616 -44.2604 -44.2604 -20.9840 -20.9840 -20.9808 -20.9808 -20.3402 -20.3402 -20.3387 -20.3387 -20.3261 -20.3261 -20.3166 -20.3166 -2.1373 -2.1373 -2.0552 -2.0552 7.3974 7.3974 7.6615 7.6615 9.5887 9.5887 9.7088 9.7088 9.7780 9.7780 9.9002 9.9002 13.1856 13.1856 13.2079 13.2079 13.2108 13.2108 13.2795 13.2795 13.2826 13.2826 13.3747 13.3747 k = 0.0000 0.0000 0.2861 ( 5590 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9824 -20.9824 -20.9824 -20.9824 -20.3394 -20.3394 -20.3394 -20.3394 -20.3214 -20.3214 -20.3214 -20.3214 -2.0965 -2.0965 -2.0965 -2.0965 7.5283 7.5283 7.5283 7.5283 9.6478 9.6478 9.6478 9.6478 9.8381 9.8381 9.8381 9.8381 13.2360 13.2360 13.2360 13.2360 13.2453 13.2453 13.2453 13.2453 13.2889 13.2889 13.2889 13.2889 k = 0.0000 0.0000 0.2861 ( 5590 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9824 -20.9824 -20.9824 -20.9824 -20.3394 -20.3394 -20.3394 -20.3394 -20.3214 -20.3214 -20.3214 -20.3214 -2.0965 -2.0965 -2.0965 -2.0965 7.5283 7.5283 7.5283 7.5283 9.6478 9.6478 9.6478 9.6478 9.8381 9.8381 9.8381 9.8381 13.2360 13.2360 13.2360 13.2360 13.2453 13.2453 13.2453 13.2453 13.2889 13.2889 13.2889 13.2889 k = 0.0098 0.0057 0.2861 ( 5590 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9824 -20.9824 -20.9824 -20.9824 -20.3395 -20.3395 -20.3395 -20.3395 -20.3214 -20.3214 -20.3214 -20.3214 -2.0958 -2.0958 -2.0958 -2.0958 7.5281 7.5281 7.5281 7.5281 9.6460 9.6460 9.6460 9.6460 9.8363 9.8363 9.8363 9.8363 13.2350 13.2350 13.2350 13.2350 13.2447 13.2447 13.2447 13.2447 13.2914 13.2914 13.2914 13.2914 k = 0.0196 0.0113 0.2861 ( 5584 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9825 -20.9825 -20.9825 -20.9825 -20.3397 -20.3397 -20.3397 -20.3397 -20.3214 -20.3214 -20.3214 -20.3214 -2.0934 -2.0934 -2.0934 -2.0934 7.5273 7.5273 7.5273 7.5273 9.6407 9.6407 9.6407 9.6407 9.8311 9.8311 9.8311 9.8311 13.2309 13.2309 13.2309 13.2309 13.2438 13.2438 13.2438 13.2438 13.2993 13.2993 13.2993 13.2993 k = 0.0294 0.0170 0.2861 ( 5578 PWs) bands (ev): -44.2609 -44.2609 -44.2609 -44.2609 -20.9826 -20.9826 -20.9826 -20.9826 -20.3399 -20.3399 -20.3399 -20.3399 -20.3214 -20.3214 -20.3214 -20.3214 -2.0896 -2.0896 -2.0896 -2.0896 7.5260 7.5260 7.5260 7.5260 9.6316 9.6316 9.6316 9.6316 9.8228 9.8228 9.8228 9.8228 13.2223 13.2223 13.2223 13.2223 13.2435 13.2435 13.2435 13.2435 13.3129 13.3129 13.3129 13.3129 k = 0.0392 0.0226 0.2861 ( 5578 PWs) bands (ev): -44.2609 -44.2609 -44.2609 -44.2609 -20.9828 -20.9828 -20.9828 -20.9828 -20.3403 -20.3403 -20.3403 -20.3403 -20.3214 -20.3214 -20.3214 -20.3214 -2.0842 -2.0842 -2.0842 -2.0842 7.5242 7.5242 7.5242 7.5242 9.6183 9.6183 9.6183 9.6183 9.8119 9.8119 9.8119 9.8119 13.2092 13.2092 13.2092 13.2092 13.2436 13.2436 13.2436 13.2436 13.3321 13.3321 13.3321 13.3321 k = 0.0490 0.0283 0.2861 ( 5570 PWs) bands (ev): -44.2608 -44.2608 -44.2608 -44.2608 -20.9831 -20.9831 -20.9831 -20.9831 -20.3408 -20.3408 -20.3408 -20.3408 -20.3214 -20.3214 -20.3214 -20.3214 -2.0772 -2.0772 -2.0772 -2.0772 7.5216 7.5216 7.5216 7.5216 9.6007 9.6007 9.6007 9.6007 9.7993 9.7993 9.7993 9.7993 13.1920 13.1920 13.1920 13.1920 13.2440 13.2440 13.2440 13.2440 13.3567 13.3567 13.3567 13.3567 k = 0.0588 0.0340 0.2861 ( 5570 PWs) bands (ev): -44.2608 -44.2608 -44.2608 -44.2608 -20.9834 -20.9834 -20.9834 -20.9834 -20.3415 -20.3415 -20.3415 -20.3415 -20.3214 -20.3214 -20.3214 -20.3214 -2.0688 -2.0688 -2.0688 -2.0688 7.5183 7.5183 7.5183 7.5183 9.5784 9.5784 9.5784 9.5784 9.7855 9.7855 9.7855 9.7855 13.1711 13.1711 13.1711 13.1711 13.2446 13.2446 13.2446 13.2446 13.3863 13.3863 13.3863 13.3863 k = 0.0686 0.0396 0.2861 ( 5570 PWs) bands (ev): -44.2607 -44.2607 -44.2607 -44.2607 -20.9837 -20.9837 -20.9837 -20.9837 -20.3422 -20.3422 -20.3422 -20.3422 -20.3214 -20.3214 -20.3214 -20.3214 -2.0589 -2.0589 -2.0589 -2.0589 7.5142 7.5142 7.5142 7.5142 9.5514 9.5514 9.5514 9.5514 9.7711 9.7711 9.7711 9.7711 13.1465 13.1465 13.1465 13.1465 13.2456 13.2456 13.2456 13.2456 13.4203 13.4203 13.4203 13.4203 k = 0.0784 0.0453 0.2861 ( 5574 PWs) bands (ev): -44.2606 -44.2606 -44.2606 -44.2606 -20.9842 -20.9842 -20.9842 -20.9842 -20.3430 -20.3430 -20.3430 -20.3430 -20.3214 -20.3214 -20.3214 -20.3214 -2.0475 -2.0475 -2.0475 -2.0475 7.5091 7.5091 7.5091 7.5091 9.5197 9.5197 9.5197 9.5197 9.7565 9.7565 9.7565 9.7565 13.1184 13.1184 13.1184 13.1184 13.2471 13.2471 13.2471 13.2471 13.4582 13.4582 13.4582 13.4582 k = 0.0882 0.0509 0.2861 ( 5578 PWs) bands (ev): -44.2605 -44.2605 -44.2605 -44.2605 -20.9846 -20.9846 -20.9846 -20.9846 -20.3440 -20.3440 -20.3440 -20.3440 -20.3214 -20.3214 -20.3214 -20.3214 -2.0347 -2.0347 -2.0347 -2.0347 7.5028 7.5028 7.5028 7.5028 9.4839 9.4839 9.4839 9.4839 9.7418 9.7418 9.7418 9.7418 13.0873 13.0873 13.0873 13.0873 13.2492 13.2492 13.2492 13.2492 13.4995 13.4995 13.4995 13.4995 k = 0.0980 0.0566 0.2861 ( 5578 PWs) bands (ev): -44.2603 -44.2603 -44.2603 -44.2603 -20.9852 -20.9852 -20.9852 -20.9852 -20.3450 -20.3450 -20.3450 -20.3450 -20.3214 -20.3214 -20.3214 -20.3214 -2.0205 -2.0205 -2.0205 -2.0205 7.4952 7.4952 7.4952 7.4952 9.4445 9.4445 9.4445 9.4445 9.7272 9.7272 9.7272 9.7272 13.0531 13.0531 13.0531 13.0531 13.2521 13.2521 13.2521 13.2521 13.5435 13.5435 13.5435 13.5435 k = 0.1078 0.0623 0.2861 ( 5580 PWs) bands (ev): -44.2602 -44.2602 -44.2602 -44.2602 -20.9857 -20.9857 -20.9857 -20.9857 -20.3461 -20.3461 -20.3461 -20.3461 -20.3214 -20.3214 -20.3214 -20.3214 -2.0050 -2.0050 -2.0050 -2.0050 7.4862 7.4862 7.4862 7.4862 9.4022 9.4022 9.4022 9.4022 9.7124 9.7124 9.7124 9.7124 13.0164 13.0164 13.0164 13.0164 13.2560 13.2560 13.2560 13.2560 13.5898 13.5898 13.5898 13.5898 k = 0.1176 0.0679 0.2861 ( 5586 PWs) bands (ev): -44.2601 -44.2601 -44.2601 -44.2601 -20.9864 -20.9864 -20.9864 -20.9864 -20.3474 -20.3474 -20.3474 -20.3474 -20.3214 -20.3214 -20.3214 -20.3214 -1.9881 -1.9881 -1.9881 -1.9881 7.4754 7.4754 7.4754 7.4754 9.3575 9.3575 9.3575 9.3575 9.6976 9.6976 9.6976 9.6976 12.9773 12.9773 12.9773 12.9773 13.2609 13.2609 13.2609 13.2609 13.6377 13.6377 13.6377 13.6377 k = 0.1275 0.0736 0.2861 ( 5588 PWs) bands (ev): -44.2599 -44.2599 -44.2599 -44.2599 -20.9870 -20.9870 -20.9870 -20.9870 -20.3487 -20.3487 -20.3487 -20.3487 -20.3213 -20.3213 -20.3213 -20.3213 -1.9699 -1.9699 -1.9699 -1.9699 7.4628 7.4628 7.4628 7.4628 9.3114 9.3114 9.3114 9.3114 9.6825 9.6825 9.6825 9.6825 12.9361 12.9361 12.9361 12.9361 13.2671 13.2671 13.2671 13.2671 13.6866 13.6866 13.6866 13.6866 k = 0.1373 0.0792 0.2861 ( 5588 PWs) bands (ev): -44.2597 -44.2597 -44.2597 -44.2597 -20.9878 -20.9878 -20.9878 -20.9878 -20.3501 -20.3501 -20.3501 -20.3501 -20.3213 -20.3213 -20.3213 -20.3213 -1.9505 -1.9505 -1.9505 -1.9505 7.4480 7.4480 7.4480 7.4480 9.2644 9.2644 9.2644 9.2644 9.6670 9.6670 9.6670 9.6670 12.8933 12.8933 12.8933 12.8933 13.2746 13.2746 13.2746 13.2746 13.7358 13.7358 13.7358 13.7358 k = 0.1471 0.0849 0.2861 ( 5592 PWs) bands (ev): -44.2596 -44.2596 -44.2596 -44.2596 -20.9885 -20.9885 -20.9885 -20.9885 -20.3516 -20.3516 -20.3516 -20.3516 -20.3213 -20.3213 -20.3213 -20.3213 -1.9299 -1.9299 -1.9299 -1.9299 7.4310 7.4310 7.4310 7.4310 9.2171 9.2171 9.2171 9.2171 9.6512 9.6512 9.6512 9.6512 12.8492 12.8492 12.8492 12.8492 13.2836 13.2836 13.2836 13.2836 13.7848 13.7848 13.7848 13.7848 k = 0.1569 0.0906 0.2861 ( 5580 PWs) bands (ev): -44.2594 -44.2594 -44.2594 -44.2594 -20.9893 -20.9893 -20.9893 -20.9893 -20.3531 -20.3531 -20.3531 -20.3531 -20.3212 -20.3212 -20.3212 -20.3212 -1.9081 -1.9081 -1.9081 -1.9081 7.4114 7.4114 7.4114 7.4114 9.1701 9.1701 9.1701 9.1701 9.6350 9.6350 9.6350 9.6350 12.8041 12.8041 12.8041 12.8041 13.2942 13.2942 13.2942 13.2942 13.8330 13.8330 13.8330 13.8330 k = 0.1667 0.0962 0.2861 ( 5584 PWs) bands (ev): -44.2592 -44.2592 -44.2592 -44.2592 -20.9901 -20.9901 -20.9901 -20.9901 -20.3547 -20.3547 -20.3547 -20.3547 -20.3211 -20.3211 -20.3211 -20.3211 -1.8853 -1.8853 -1.8853 -1.8853 7.3891 7.3891 7.3891 7.3891 9.1240 9.1240 9.1240 9.1240 9.6184 9.6184 9.6184 9.6184 12.7585 12.7585 12.7585 12.7585 13.3065 13.3065 13.3065 13.3065 13.8797 13.8797 13.8797 13.8797 k = 0.1765 0.1019 0.2861 ( 5592 PWs) bands (ev): -44.2590 -44.2590 -44.2590 -44.2590 -20.9910 -20.9910 -20.9910 -20.9910 -20.3564 -20.3564 -20.3564 -20.3564 -20.3211 -20.3211 -20.3211 -20.3211 -1.8615 -1.8615 -1.8615 -1.8615 7.3640 7.3640 7.3640 7.3640 9.0791 9.0791 9.0791 9.0791 9.6013 9.6013 9.6013 9.6013 12.7126 12.7126 12.7126 12.7126 13.3205 13.3205 13.3205 13.3205 13.9243 13.9243 13.9243 13.9243 k = 0.1863 0.1075 0.2861 ( 5584 PWs) bands (ev): -44.2588 -44.2588 -44.2588 -44.2588 -20.9919 -20.9919 -20.9919 -20.9919 -20.3581 -20.3581 -20.3581 -20.3581 -20.3210 -20.3210 -20.3210 -20.3210 -1.8368 -1.8368 -1.8368 -1.8368 7.3359 7.3359 7.3359 7.3359 9.0359 9.0359 9.0359 9.0359 9.5839 9.5839 9.5839 9.5839 12.6669 12.6669 12.6669 12.6669 13.3363 13.3363 13.3363 13.3363 13.9664 13.9664 13.9664 13.9664 k = 0.1961 0.1132 0.2861 ( 5588 PWs) bands (ev): -44.2586 -44.2586 -44.2586 -44.2586 -20.9928 -20.9928 -20.9928 -20.9928 -20.3599 -20.3599 -20.3599 -20.3599 -20.3209 -20.3209 -20.3209 -20.3209 -1.8111 -1.8111 -1.8111 -1.8111 7.3049 7.3049 7.3049 7.3049 8.9948 8.9948 8.9948 8.9948 9.5662 9.5662 9.5662 9.5662 12.6217 12.6217 12.6217 12.6217 13.3539 13.3539 13.3539 13.3539 14.0055 14.0055 14.0055 14.0055 k = 0.2059 0.1189 0.2861 ( 5594 PWs) bands (ev): -44.2584 -44.2584 -44.2584 -44.2584 -20.9938 -20.9938 -20.9938 -20.9938 -20.3617 -20.3617 -20.3617 -20.3617 -20.3209 -20.3209 -20.3209 -20.3209 -1.7847 -1.7847 -1.7847 -1.7847 7.2708 7.2708 7.2708 7.2708 8.9558 8.9558 8.9558 8.9558 9.5481 9.5481 9.5481 9.5481 12.5774 12.5774 12.5774 12.5774 13.3735 13.3735 13.3735 13.3735 14.0414 14.0414 14.0414 14.0414 k = 0.2157 0.1245 0.2861 ( 5586 PWs) bands (ev): -44.2581 -44.2581 -44.2581 -44.2581 -20.9947 -20.9947 -20.9947 -20.9947 -20.3635 -20.3635 -20.3635 -20.3635 -20.3208 -20.3208 -20.3208 -20.3208 -1.7576 -1.7576 -1.7576 -1.7576 7.2337 7.2337 7.2337 7.2337 8.9192 8.9192 8.9192 8.9192 9.5298 9.5298 9.5298 9.5298 12.5341 12.5341 12.5341 12.5341 13.3949 13.3949 13.3949 13.3949 14.0738 14.0738 14.0738 14.0738 k = 0.2255 0.1302 0.2861 ( 5578 PWs) bands (ev): -44.2579 -44.2579 -44.2579 -44.2579 -20.9957 -20.9957 -20.9957 -20.9957 -20.3654 -20.3654 -20.3654 -20.3654 -20.3207 -20.3207 -20.3207 -20.3207 -1.7298 -1.7298 -1.7298 -1.7298 7.1938 7.1938 7.1938 7.1938 8.8851 8.8851 8.8851 8.8851 9.5113 9.5113 9.5113 9.5113 12.4924 12.4924 12.4924 12.4924 13.4182 13.4182 13.4182 13.4182 14.1029 14.1029 14.1029 14.1029 k = 0.2353 0.1358 0.2861 ( 5570 PWs) bands (ev): -44.2577 -44.2577 -44.2577 -44.2577 -20.9967 -20.9967 -20.9967 -20.9967 -20.3672 -20.3672 -20.3672 -20.3672 -20.3206 -20.3206 -20.3206 -20.3206 -1.7016 -1.7016 -1.7016 -1.7016 7.1512 7.1512 7.1512 7.1512 8.8534 8.8534 8.8534 8.8534 9.4926 9.4926 9.4926 9.4926 12.4523 12.4523 12.4523 12.4523 13.4434 13.4434 13.4434 13.4434 14.1289 14.1289 14.1289 14.1289 k = 0.2451 0.1415 0.2861 ( 5574 PWs) bands (ev): -44.2575 -44.2575 -44.2575 -44.2575 -20.9977 -20.9977 -20.9977 -20.9977 -20.3691 -20.3691 -20.3691 -20.3691 -20.3205 -20.3205 -20.3205 -20.3205 -1.6728 -1.6728 -1.6728 -1.6728 7.1062 7.1062 7.1062 7.1062 8.8242 8.8242 8.8242 8.8242 9.4739 9.4739 9.4739 9.4739 12.4141 12.4141 12.4141 12.4141 13.4705 13.4705 13.4705 13.4705 14.1520 14.1520 14.1520 14.1520 k = 0.2549 0.1472 0.2861 ( 5566 PWs) bands (ev): -44.2572 -44.2572 -44.2572 -44.2572 -20.9988 -20.9988 -20.9988 -20.9988 -20.3710 -20.3710 -20.3710 -20.3710 -20.3204 -20.3204 -20.3204 -20.3204 -1.6438 -1.6438 -1.6438 -1.6438 7.0590 7.0590 7.0590 7.0590 8.7974 8.7974 8.7974 8.7974 9.4552 9.4552 9.4552 9.4552 12.3779 12.3779 12.3779 12.3779 13.4994 13.4994 13.4994 13.4994 14.1728 14.1728 14.1728 14.1728 k = 0.2647 0.1528 0.2861 ( 5564 PWs) bands (ev): -44.2570 -44.2570 -44.2570 -44.2570 -20.9998 -20.9998 -20.9998 -20.9998 -20.3729 -20.3729 -20.3729 -20.3729 -20.3203 -20.3203 -20.3203 -20.3203 -1.6144 -1.6144 -1.6144 -1.6144 7.0099 7.0099 7.0099 7.0099 8.7727 8.7727 8.7727 8.7727 9.4365 9.4365 9.4365 9.4365 12.3441 12.3441 12.3441 12.3441 13.5300 13.5300 13.5300 13.5300 14.1917 14.1917 14.1917 14.1917 k = 0.2745 0.1585 0.2861 ( 5568 PWs) bands (ev): -44.2568 -44.2568 -44.2568 -44.2568 -21.0008 -21.0008 -21.0008 -21.0008 -20.3747 -20.3747 -20.3747 -20.3747 -20.3201 -20.3201 -20.3201 -20.3201 -1.5850 -1.5850 -1.5850 -1.5850 6.9594 6.9594 6.9594 6.9594 8.7501 8.7501 8.7501 8.7501 9.4180 9.4180 9.4180 9.4180 12.3126 12.3126 12.3126 12.3126 13.5624 13.5624 13.5624 13.5624 14.2093 14.2093 14.2093 14.2093 k = 0.2843 0.1641 0.2861 ( 5564 PWs) bands (ev): -44.2566 -44.2566 -44.2566 -44.2566 -21.0018 -21.0018 -21.0018 -21.0018 -20.3765 -20.3765 -20.3765 -20.3765 -20.3200 -20.3200 -20.3200 -20.3200 -1.5555 -1.5555 -1.5555 -1.5555 6.9077 6.9077 6.9077 6.9077 8.7294 8.7294 8.7294 8.7294 9.3997 9.3997 9.3997 9.3997 12.2836 12.2836 12.2836 12.2836 13.5963 13.5963 13.5963 13.5963 14.2259 14.2259 14.2259 14.2259 k = 0.2941 0.1698 0.2861 ( 5554 PWs) bands (ev): -44.2564 -44.2564 -44.2564 -44.2564 -21.0028 -21.0028 -21.0028 -21.0028 -20.3783 -20.3783 -20.3783 -20.3783 -20.3199 -20.3199 -20.3199 -20.3199 -1.5261 -1.5261 -1.5261 -1.5261 6.8553 6.8553 6.8553 6.8553 8.7104 8.7104 8.7104 8.7104 9.3816 9.3816 9.3816 9.3816 12.2570 12.2570 12.2570 12.2570 13.6319 13.6319 13.6319 13.6319 14.2420 14.2420 14.2420 14.2420 k = 0.3039 0.1755 0.2861 ( 5558 PWs) bands (ev): -44.2561 -44.2561 -44.2561 -44.2561 -21.0038 -21.0038 -21.0038 -21.0038 -20.3801 -20.3801 -20.3801 -20.3801 -20.3198 -20.3198 -20.3198 -20.3198 -1.4969 -1.4969 -1.4969 -1.4969 6.8024 6.8024 6.8024 6.8024 8.6930 8.6930 8.6930 8.6930 9.3639 9.3639 9.3639 9.3639 12.2330 12.2330 12.2330 12.2330 13.6688 13.6688 13.6688 13.6688 14.2579 14.2579 14.2579 14.2579 k = 0.3137 0.1811 0.2861 ( 5558 PWs) bands (ev): -44.2559 -44.2559 -44.2559 -44.2559 -21.0048 -21.0048 -21.0048 -21.0048 -20.3818 -20.3818 -20.3818 -20.3818 -20.3197 -20.3197 -20.3197 -20.3197 -1.4680 -1.4680 -1.4680 -1.4680 6.7496 6.7496 6.7496 6.7496 8.6769 8.6769 8.6769 8.6769 9.3466 9.3466 9.3466 9.3466 12.2115 12.2115 12.2115 12.2115 13.7071 13.7071 13.7071 13.7071 14.2740 14.2740 14.2740 14.2740 k = 0.3235 0.1868 0.2861 ( 5558 PWs) bands (ev): -44.2557 -44.2557 -44.2557 -44.2557 -21.0058 -21.0058 -21.0058 -21.0058 -20.3835 -20.3835 -20.3835 -20.3835 -20.3196 -20.3196 -20.3196 -20.3196 -1.4396 -1.4396 -1.4396 -1.4396 6.6971 6.6971 6.6971 6.6971 8.6620 8.6620 8.6620 8.6620 9.3298 9.3298 9.3298 9.3298 12.1924 12.1924 12.1924 12.1924 13.7466 13.7466 13.7466 13.7466 14.2905 14.2905 14.2905 14.2905 k = 0.3333 0.1925 0.2861 ( 5554 PWs) bands (ev): -44.2555 -44.2555 -44.2555 -44.2555 -21.0067 -21.0067 -21.0067 -21.0067 -20.3851 -20.3851 -20.3851 -20.3851 -20.3195 -20.3195 -20.3195 -20.3195 -1.4117 -1.4117 -1.4117 -1.4117 6.6453 6.6453 6.6453 6.6453 8.6482 8.6482 8.6482 8.6482 9.3135 9.3135 9.3135 9.3135 12.1757 12.1757 12.1757 12.1757 13.7872 13.7872 13.7872 13.7872 14.3076 14.3076 14.3076 14.3076 k = 0.3431 0.1981 0.2861 ( 5546 PWs) bands (ev): -44.2553 -44.2553 -44.2553 -44.2553 -21.0076 -21.0076 -21.0076 -21.0076 -20.3867 -20.3867 -20.3867 -20.3867 -20.3194 -20.3194 -20.3194 -20.3194 -1.3846 -1.3846 -1.3846 -1.3846 6.5946 6.5946 6.5946 6.5946 8.6354 8.6354 8.6354 8.6354 9.2978 9.2978 9.2978 9.2978 12.1613 12.1613 12.1613 12.1613 13.8287 13.8287 13.8287 13.8287 14.3253 14.3253 14.3253 14.3253 k = 0.3529 0.2038 0.2861 ( 5558 PWs) bands (ev): -44.2552 -44.2552 -44.2552 -44.2552 -21.0085 -21.0085 -21.0085 -21.0085 -20.3882 -20.3882 -20.3882 -20.3882 -20.3192 -20.3192 -20.3192 -20.3192 -1.3582 -1.3582 -1.3582 -1.3582 6.5452 6.5452 6.5452 6.5452 8.6235 8.6235 8.6235 8.6235 9.2827 9.2827 9.2827 9.2827 12.1491 12.1491 12.1491 12.1491 13.8710 13.8710 13.8710 13.8710 14.3437 14.3437 14.3437 14.3437 k = 0.3627 0.2094 0.2861 ( 5552 PWs) bands (ev): -44.2550 -44.2550 -44.2550 -44.2550 -21.0093 -21.0093 -21.0093 -21.0093 -20.3896 -20.3896 -20.3896 -20.3896 -20.3191 -20.3191 -20.3191 -20.3191 -1.3328 -1.3328 -1.3328 -1.3328 6.4976 6.4976 6.4976 6.4976 8.6125 8.6125 8.6125 8.6125 9.2684 9.2684 9.2684 9.2684 12.1388 12.1388 12.1388 12.1388 13.9138 13.9138 13.9138 13.9138 14.3630 14.3630 14.3630 14.3630 k = 0.3725 0.2151 0.2861 ( 5560 PWs) bands (ev): -44.2548 -44.2548 -44.2548 -44.2548 -21.0101 -21.0101 -21.0101 -21.0101 -20.3909 -20.3909 -20.3909 -20.3909 -20.3190 -20.3190 -20.3190 -20.3190 -1.3085 -1.3085 -1.3085 -1.3085 6.4518 6.4518 6.4518 6.4518 8.6022 8.6022 8.6022 8.6022 9.2548 9.2548 9.2548 9.2548 12.1303 12.1303 12.1303 12.1303 13.9570 13.9570 13.9570 13.9570 14.3829 14.3829 14.3829 14.3829 k = 0.3824 0.2208 0.2861 ( 5558 PWs) bands (ev): -44.2547 -44.2547 -44.2547 -44.2547 -21.0109 -21.0109 -21.0109 -21.0109 -20.3922 -20.3922 -20.3922 -20.3922 -20.3190 -20.3190 -20.3190 -20.3190 -1.2854 -1.2854 -1.2854 -1.2854 6.4084 6.4084 6.4084 6.4084 8.5926 8.5926 8.5926 8.5926 9.2420 9.2420 9.2420 9.2420 12.1235 12.1235 12.1235 12.1235 14.0003 14.0003 14.0003 14.0003 14.4034 14.4034 14.4034 14.4034 k = 0.3922 0.2264 0.2861 ( 5554 PWs) bands (ev): -44.2545 -44.2545 -44.2545 -44.2545 -21.0116 -21.0116 -21.0116 -21.0116 -20.3934 -20.3934 -20.3934 -20.3934 -20.3189 -20.3189 -20.3189 -20.3189 -1.2636 -1.2636 -1.2636 -1.2636 6.3674 6.3674 6.3674 6.3674 8.5838 8.5838 8.5838 8.5838 9.2301 9.2301 9.2301 9.2301 12.1182 12.1182 12.1182 12.1182 14.0434 14.0434 14.0434 14.0434 14.4244 14.4244 14.4244 14.4244 k = 0.4020 0.2321 0.2861 ( 5566 PWs) bands (ev): -44.2544 -44.2544 -44.2544 -44.2544 -21.0123 -21.0123 -21.0123 -21.0123 -20.3945 -20.3945 -20.3945 -20.3945 -20.3188 -20.3188 -20.3188 -20.3188 -1.2432 -1.2432 -1.2432 -1.2432 6.3292 6.3292 6.3292 6.3292 8.5757 8.5757 8.5757 8.5757 9.2190 9.2190 9.2190 9.2190 12.1141 12.1141 12.1141 12.1141 14.0861 14.0861 14.0861 14.0861 14.4455 14.4455 14.4455 14.4455 k = 0.4118 0.2377 0.2861 ( 5564 PWs) bands (ev): -44.2543 -44.2543 -44.2543 -44.2543 -21.0129 -21.0129 -21.0129 -21.0129 -20.3955 -20.3955 -20.3955 -20.3955 -20.3187 -20.3187 -20.3187 -20.3187 -1.2244 -1.2244 -1.2244 -1.2244 6.2939 6.2939 6.2939 6.2939 8.5683 8.5683 8.5683 8.5683 9.2089 9.2089 9.2089 9.2089 12.1111 12.1111 12.1111 12.1111 14.1278 14.1278 14.1278 14.1278 14.4667 14.4667 14.4667 14.4667 k = 0.4216 0.2434 0.2861 ( 5564 PWs) bands (ev): -44.2541 -44.2541 -44.2541 -44.2541 -21.0134 -21.0134 -21.0134 -21.0134 -20.3964 -20.3964 -20.3964 -20.3964 -20.3186 -20.3186 -20.3186 -20.3186 -1.2073 -1.2073 -1.2073 -1.2073 6.2618 6.2618 6.2618 6.2618 8.5617 8.5617 8.5617 8.5617 9.1998 9.1998 9.1998 9.1998 12.1090 12.1090 12.1090 12.1090 14.1682 14.1682 14.1682 14.1682 14.4874 14.4874 14.4874 14.4874 k = 0.4314 0.2491 0.2861 ( 5560 PWs) bands (ev): -44.2540 -44.2540 -44.2540 -44.2540 -21.0139 -21.0139 -21.0139 -21.0139 -20.3972 -20.3972 -20.3972 -20.3972 -20.3186 -20.3186 -20.3186 -20.3186 -1.1919 -1.1919 -1.1919 -1.1919 6.2330 6.2330 6.2330 6.2330 8.5557 8.5557 8.5557 8.5557 9.1916 9.1916 9.1916 9.1916 12.1077 12.1077 12.1077 12.1077 14.2068 14.2068 14.2068 14.2068 14.5073 14.5073 14.5073 14.5073 k = 0.4412 0.2547 0.2861 ( 5564 PWs) bands (ev): -44.2540 -44.2540 -44.2540 -44.2540 -21.0143 -21.0143 -21.0143 -21.0143 -20.3979 -20.3979 -20.3979 -20.3979 -20.3185 -20.3185 -20.3185 -20.3185 -1.1784 -1.1784 -1.1784 -1.1784 6.2077 6.2077 6.2077 6.2077 8.5505 8.5505 8.5505 8.5505 9.1845 9.1845 9.1845 9.1845 12.1069 12.1069 12.1069 12.1069 14.2428 14.2428 14.2428 14.2428 14.5260 14.5260 14.5260 14.5260 k = 0.4510 0.2604 0.2861 ( 5556 PWs) bands (ev): -44.2539 -44.2539 -44.2539 -44.2539 -21.0147 -21.0147 -21.0147 -21.0147 -20.3985 -20.3985 -20.3985 -20.3985 -20.3185 -20.3185 -20.3185 -20.3185 -1.1668 -1.1668 -1.1668 -1.1668 6.1861 6.1861 6.1861 6.1861 8.5461 8.5461 8.5461 8.5461 9.1784 9.1784 9.1784 9.1784 12.1065 12.1065 12.1065 12.1065 14.2757 14.2757 14.2757 14.2757 14.5430 14.5430 14.5430 14.5430 k = 0.4608 0.2660 0.2861 ( 5550 PWs) bands (ev): -44.2538 -44.2538 -44.2538 -44.2538 -21.0150 -21.0150 -21.0150 -21.0150 -20.3990 -20.3990 -20.3990 -20.3990 -20.3184 -20.3184 -20.3184 -20.3184 -1.1572 -1.1572 -1.1572 -1.1572 6.1682 6.1682 6.1682 6.1682 8.5425 8.5425 8.5425 8.5425 9.1735 9.1735 9.1735 9.1735 12.1063 12.1063 12.1063 12.1063 14.3044 14.3044 14.3044 14.3044 14.5578 14.5578 14.5578 14.5578 k = 0.4706 0.2717 0.2861 ( 5546 PWs) bands (ev): -44.2538 -44.2538 -44.2538 -44.2538 -21.0152 -21.0152 -21.0152 -21.0152 -20.3994 -20.3994 -20.3994 -20.3994 -20.3184 -20.3184 -20.3184 -20.3184 -1.1497 -1.1497 -1.1497 -1.1497 6.1542 6.1542 6.1542 6.1542 8.5396 8.5396 8.5396 8.5396 9.1696 9.1696 9.1696 9.1696 12.1063 12.1063 12.1063 12.1063 14.3282 14.3282 14.3282 14.3282 14.5699 14.5699 14.5699 14.5699 k = 0.4804 0.2774 0.2861 ( 5550 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0154 -21.0154 -21.0154 -21.0154 -20.3996 -20.3996 -20.3996 -20.3996 -20.3184 -20.3184 -20.3184 -20.3184 -1.1443 -1.1443 -1.1443 -1.1443 6.1442 6.1442 6.1442 6.1442 8.5375 8.5375 8.5375 8.5375 9.1668 9.1668 9.1668 9.1668 12.1064 12.1064 12.1064 12.1064 14.3460 14.3460 14.3460 14.3460 14.5788 14.5788 14.5788 14.5788 k = 0.4902 0.2830 0.2861 ( 5556 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0155 -21.0155 -21.0155 -21.0155 -20.3998 -20.3998 -20.3998 -20.3998 -20.3184 -20.3184 -20.3184 -20.3184 -1.1410 -1.1410 -1.1410 -1.1410 6.1381 6.1381 6.1381 6.1381 8.5363 8.5363 8.5363 8.5363 9.1651 9.1651 9.1651 9.1651 12.1065 12.1065 12.1065 12.1065 14.3571 14.3571 14.3571 14.3571 14.5844 14.5844 14.5844 14.5844 k = 0.5000 0.2887 0.2861 ( 5552 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0155 -21.0155 -21.0155 -21.0155 -20.3998 -20.3998 -20.3998 -20.3998 -20.3184 -20.3184 -20.3184 -20.3184 -1.1399 -1.1399 -1.1399 -1.1399 6.1361 6.1361 6.1361 6.1361 8.5359 8.5359 8.5359 8.5359 9.1645 9.1645 9.1645 9.1645 12.1065 12.1065 12.1065 12.1065 14.3609 14.3609 14.3609 14.3609 14.5862 14.5862 14.5862 14.5862 k = 0.5000 0.2887 0.2861 ( 5552 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0155 -21.0155 -21.0155 -21.0155 -20.3998 -20.3998 -20.3998 -20.3998 -20.3184 -20.3184 -20.3184 -20.3184 -1.1399 -1.1399 -1.1399 -1.1399 6.1361 6.1361 6.1361 6.1361 8.5359 8.5359 8.5359 8.5359 9.1645 9.1645 9.1645 9.1645 12.1065 12.1065 12.1065 12.1065 14.3609 14.3609 14.3609 14.3609 14.5862 14.5862 14.5862 14.5862 k = 0.4944 0.2983 0.2861 ( 5556 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0156 -21.0156 -21.0155 -21.0155 -20.4000 -20.4000 -20.3998 -20.3998 -20.3184 -20.3184 -20.3184 -20.3184 -1.1398 -1.1398 -1.1394 -1.1394 6.1370 6.1370 6.1375 6.1375 8.5348 8.5348 8.5363 8.5363 9.1595 9.1595 9.1610 9.1610 12.1085 12.1085 12.1094 12.1094 14.3582 14.3582 14.3608 14.3608 14.5852 14.5852 14.5854 14.5854 k = 0.4889 0.3079 0.2861 ( 5556 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0157 -21.0157 -21.0154 -21.0154 -20.4001 -20.4001 -20.3997 -20.3997 -20.3185 -20.3185 -20.3184 -20.3184 -1.1391 -1.1391 -1.1384 -1.1384 6.1401 6.1401 6.1413 6.1413 8.5329 8.5329 8.5359 8.5359 9.1462 9.1462 9.1491 9.1491 12.1154 12.1154 12.1172 12.1172 14.3531 14.3531 14.3581 14.3581 14.5821 14.5821 14.5824 14.5824 k = 0.4833 0.3175 0.2861 ( 5556 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0158 -21.0158 -21.0154 -21.0154 -20.4002 -20.4002 -20.3996 -20.3996 -20.3186 -20.3186 -20.3184 -20.3184 -1.1378 -1.1378 -1.1367 -1.1367 6.1455 6.1455 6.1473 6.1473 8.5302 8.5302 8.5349 8.5349 9.1248 9.1248 9.1289 9.1289 12.1269 12.1269 12.1296 12.1296 14.3458 14.3458 14.3531 14.3531 14.5768 14.5768 14.5770 14.5770 k = 0.4778 0.3272 0.2861 ( 5558 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0159 -21.0159 -21.0154 -21.0154 -20.4004 -20.4004 -20.3996 -20.3996 -20.3187 -20.3187 -20.3185 -20.3185 -1.1360 -1.1360 -1.1345 -1.1345 6.1532 6.1532 6.1556 6.1556 8.5265 8.5265 8.5332 8.5332 9.0958 9.0958 9.1009 9.1009 12.1430 12.1430 12.1464 12.1464 14.3369 14.3369 14.3462 14.3462 14.5687 14.5687 14.5688 14.5688 k = 0.4722 0.3368 0.2861 ( 5560 PWs) bands (ev): -44.2537 -44.2537 -44.2536 -44.2536 -21.0160 -21.0160 -21.0153 -21.0153 -20.4005 -20.4005 -20.3995 -20.3995 -20.3188 -20.3188 -20.3186 -20.3186 -1.1336 -1.1336 -1.1317 -1.1317 6.1631 6.1631 6.1662 6.1662 8.5219 8.5219 8.5307 8.5307 9.0598 9.0598 9.0655 9.0655 12.1632 12.1632 12.1673 12.1673 14.3269 14.3269 14.3378 14.3378 14.5571 14.5571 14.5578 14.5578 k = 0.4667 0.3464 0.2861 ( 5552 PWs) bands (ev): -44.2536 -44.2536 -44.2536 -44.2536 -21.0162 -21.0162 -21.0153 -21.0153 -20.4007 -20.4007 -20.3995 -20.3995 -20.3190 -20.3190 -20.3188 -20.3188 -1.1306 -1.1306 -1.1284 -1.1284 6.1753 6.1753 6.1791 6.1791 8.5159 8.5159 8.5276 8.5276 9.0176 9.0176 9.0234 9.0234 12.1871 12.1871 12.1919 12.1919 14.3162 14.3162 14.3287 14.3287 14.5421 14.5421 14.5433 14.5433 k = 0.4611 0.3560 0.2861 ( 5556 PWs) bands (ev): -44.2536 -44.2536 -44.2536 -44.2536 -21.0163 -21.0163 -21.0154 -21.0154 -20.4009 -20.4009 -20.3995 -20.3995 -20.3192 -20.3192 -20.3189 -20.3189 -1.1272 -1.1272 -1.1246 -1.1246 6.1896 6.1896 6.1943 6.1943 8.5085 8.5085 8.5235 8.5235 8.9702 8.9702 8.9752 8.9752 12.2144 12.2144 12.2196 12.2196 14.3054 14.3054 14.3192 14.3192 14.5239 14.5239 14.5255 14.5255 k = 0.4556 0.3657 0.2861 ( 5552 PWs) bands (ev): -44.2536 -44.2536 -44.2536 -44.2536 -21.0165 -21.0165 -21.0154 -21.0154 -20.4011 -20.4011 -20.3995 -20.3995 -20.3194 -20.3194 -20.3191 -20.3191 -1.1232 -1.1232 -1.1203 -1.1203 6.2061 6.2061 6.2116 6.2116 8.4990 8.4990 8.5185 8.5185 8.9186 8.9186 8.9218 8.9218 12.2445 12.2445 12.2501 12.2501 14.2948 14.2948 14.3098 14.3098 14.5026 14.5026 14.5044 14.5044 k = 0.4500 0.3753 0.2861 ( 5552 PWs) bands (ev): -44.2535 -44.2535 -44.2535 -44.2535 -21.0166 -21.0166 -21.0154 -21.0154 -20.4013 -20.4013 -20.3996 -20.3996 -20.3196 -20.3196 -20.3193 -20.3193 -1.1188 -1.1188 -1.1156 -1.1156 6.2246 6.2246 6.2312 6.2312 8.4868 8.4868 8.5122 8.5122 8.8642 8.8642 8.8643 8.8643 12.2770 12.2770 12.2829 12.2829 14.2846 14.2846 14.3007 14.3007 14.4791 14.4791 14.4806 14.4806 k = 0.4444 0.3849 0.2861 ( 5552 PWs) bands (ev): -44.2535 -44.2535 -44.2535 -44.2535 -21.0168 -21.0168 -21.0155 -21.0155 -20.4015 -20.4015 -20.3996 -20.3996 -20.3199 -20.3199 -20.3195 -20.3195 -1.1140 -1.1140 -1.1104 -1.1104 6.2452 6.2452 6.2529 6.2529 8.4707 8.4707 8.5041 8.5041 8.8037 8.8037 8.8091 8.8091 12.3115 12.3115 12.3176 12.3176 14.2746 14.2746 14.2921 14.2921 14.4541 14.4541 14.4549 14.4549 k = 0.4389 0.3945 0.2861 ( 5556 PWs) bands (ev): -44.2535 -44.2535 -44.2535 -44.2535 -21.0170 -21.0170 -21.0155 -21.0155 -20.4018 -20.4018 -20.3997 -20.3997 -20.3201 -20.3201 -20.3197 -20.3197 -1.1088 -1.1088 -1.1049 -1.1049 6.2678 6.2678 6.2767 6.2767 8.4490 8.4490 8.4932 8.4932 8.7420 8.7420 8.7554 8.7554 12.3476 12.3476 12.3537 12.3537 14.2647 14.2647 14.2837 14.2837 14.4283 14.4283 14.4288 14.4288 k = 0.4333 0.4041 0.2861 ( 5544 PWs) bands (ev): -44.2534 -44.2534 -44.2534 -44.2534 -21.0171 -21.0171 -21.0156 -21.0156 -20.4020 -20.4020 -20.3997 -20.3997 -20.3204 -20.3204 -20.3199 -20.3199 -1.1033 -1.1033 -1.0990 -1.0990 6.2923 6.2923 6.3027 6.3027 8.4196 8.4196 8.4774 8.4774 8.6820 8.6820 8.7062 8.7062 12.3847 12.3847 12.3909 12.3909 14.2541 14.2541 14.2748 14.2748 14.4023 14.4023 14.4046 14.4046 k = 0.4278 0.4138 0.2861 ( 5552 PWs) bands (ev): -44.2534 -44.2534 -44.2534 -44.2534 -21.0173 -21.0173 -21.0157 -21.0157 -20.4023 -20.4023 -20.3998 -20.3998 -20.3207 -20.3207 -20.3201 -20.3201 -1.0974 -1.0974 -1.0929 -1.0929 6.3187 6.3187 6.3306 6.3306 8.3803 8.3803 8.4527 8.4527 8.6282 8.6282 8.6642 8.6642 12.4227 12.4227 12.4288 12.4288 14.2417 14.2417 14.2641 14.2641 14.3791 14.3791 14.3835 14.3835 k = 0.4222 0.4234 0.2861 ( 5548 PWs) bands (ev): -44.2533 -44.2533 -44.2533 -44.2533 -21.0175 -21.0175 -21.0157 -21.0157 -20.4025 -20.4025 -20.3999 -20.3999 -20.3209 -20.3209 -20.3204 -20.3204 -1.0914 -1.0914 -1.0865 -1.0865 6.3467 6.3467 6.3605 6.3605 8.3304 8.3304 8.4141 8.4141 8.5863 8.5863 8.6306 8.6306 12.4610 12.4610 12.4669 12.4669 14.2262 14.2262 14.2496 14.2496 14.3611 14.3611 14.3673 14.3673 k = 0.4167 0.4330 0.2861 ( 5544 PWs) bands (ev): -44.2533 -44.2533 -44.2533 -44.2533 -21.0177 -21.0177 -21.0158 -21.0158 -20.4028 -20.4028 -20.4001 -20.4001 -20.3212 -20.3212 -20.3206 -20.3206 -1.0851 -1.0851 -1.0800 -1.0800 6.3764 6.3764 6.3924 6.3924 8.2711 8.2711 8.3606 8.3606 8.5580 8.5580 8.6050 8.6050 12.4994 12.4994 12.5051 12.5051 14.2068 14.2068 14.2301 14.2301 14.3504 14.3504 14.3572 14.3572 k = 0.4111 0.4426 0.2861 ( 5552 PWs) bands (ev): -44.2532 -44.2532 -44.2532 -44.2532 -21.0179 -21.0179 -21.0159 -21.0159 -20.4031 -20.4031 -20.4002 -20.4002 -20.3215 -20.3215 -20.3208 -20.3208 -1.0788 -1.0788 -1.0734 -1.0734 6.4076 6.4076 6.4260 6.4260 8.2048 8.2048 8.2966 8.2966 8.5396 8.5396 8.5855 8.5855 12.5375 12.5375 12.5429 12.5429 14.1838 14.1838 14.2059 14.2059 14.3468 14.3468 14.3535 14.3535 k = 0.4056 0.4523 0.2861 ( 5554 PWs) bands (ev): -44.2532 -44.2532 -44.2532 -44.2532 -21.0181 -21.0181 -21.0160 -21.0160 -20.4033 -20.4033 -20.4003 -20.4003 -20.3217 -20.3217 -20.3210 -20.3210 -1.0724 -1.0724 -1.0667 -1.0667 6.4401 6.4401 6.4614 6.4614 8.1339 8.1339 8.2271 8.2271 8.5268 8.5268 8.5703 8.5703 12.5750 12.5750 12.5800 12.5800 14.1584 14.1584 14.1789 14.1789 14.3491 14.3491 14.3554 14.3554 k = 0.4000 0.4619 0.2861 ( 5554 PWs) bands (ev): -44.2531 -44.2531 -44.2531 -44.2531 -21.0183 -21.0183 -21.0161 -21.0161 -20.4036 -20.4036 -20.4005 -20.4005 -20.3219 -20.3219 -20.3213 -20.3213 -1.0659 -1.0659 -1.0600 -1.0600 6.4737 6.4737 6.4983 6.4983 8.0602 8.0602 8.1551 8.1551 8.5170 8.5170 8.5582 8.5582 12.6115 12.6115 12.6161 12.6161 14.1317 14.1317 14.1506 14.1506 14.3559 14.3559 14.3618 14.3618 k = 0.3944 0.4715 0.2861 ( 5550 PWs) bands (ev): -44.2531 -44.2531 -44.2531 -44.2531 -21.0184 -21.0184 -21.0162 -21.0162 -20.4039 -20.4039 -20.4006 -20.4006 -20.3222 -20.3222 -20.3215 -20.3215 -1.0596 -1.0596 -1.0535 -1.0535 6.5083 6.5083 6.5367 6.5367 7.9851 7.9851 8.0826 8.0826 8.5090 8.5090 8.5482 8.5482 12.6467 12.6467 12.6509 12.6509 14.1048 14.1048 14.1224 14.1224 14.3662 14.3662 14.3721 14.3721 k = 0.3889 0.4811 0.2861 ( 5548 PWs) bands (ev): -44.2531 -44.2531 -44.2530 -44.2530 -21.0186 -21.0186 -21.0163 -21.0163 -20.4042 -20.4042 -20.4008 -20.4008 -20.3224 -20.3224 -20.3216 -20.3216 -1.0534 -1.0534 -1.0471 -1.0471 6.5434 6.5434 6.5764 6.5764 7.9098 7.9098 8.0109 8.0109 8.5022 8.5022 8.5398 8.5398 12.6804 12.6804 12.6841 12.6841 14.0785 14.0785 14.0951 14.0951 14.3796 14.3796 14.3856 14.3856 k = 0.3833 0.4907 0.2861 ( 5554 PWs) bands (ev): -44.2530 -44.2530 -44.2530 -44.2530 -21.0188 -21.0188 -21.0165 -21.0165 -20.4044 -20.4044 -20.4009 -20.4009 -20.3226 -20.3226 -20.3218 -20.3218 -1.0474 -1.0474 -1.0409 -1.0409 6.5789 6.5789 6.6171 6.6171 7.8353 7.8353 7.9409 7.9409 8.4962 8.4962 8.5326 8.5326 12.7121 12.7121 12.7154 12.7154 14.0534 14.0534 14.0691 14.0691 14.3955 14.3955 14.4019 14.4019 k = 0.3778 0.5004 0.2861 ( 5550 PWs) bands (ev): -44.2530 -44.2530 -44.2530 -44.2530 -21.0190 -21.0190 -21.0166 -21.0166 -20.4047 -20.4047 -20.4011 -20.4011 -20.3228 -20.3228 -20.3220 -20.3220 -1.0418 -1.0418 -1.0351 -1.0351 6.6141 6.6141 6.6586 6.6586 7.7623 7.7623 7.8737 7.8737 8.4909 8.4909 8.5264 8.5264 12.7415 12.7415 12.7444 12.7444 14.0302 14.0302 14.0452 14.0452 14.4138 14.4138 14.4207 14.4207 k = 0.3722 0.5100 0.2861 ( 5554 PWs) bands (ev): -44.2529 -44.2529 -44.2529 -44.2529 -21.0191 -21.0191 -21.0167 -21.0167 -20.4049 -20.4049 -20.4013 -20.4013 -20.3229 -20.3229 -20.3221 -20.3221 -1.0365 -1.0365 -1.0296 -1.0296 6.6487 6.6487 6.7005 6.7005 7.6918 7.6918 7.8102 7.8102 8.4862 8.4862 8.5210 8.5210 12.7683 12.7683 12.7707 12.7707 14.0091 14.0091 14.0235 14.0235 14.4341 14.4341 14.4415 14.4415 k = 0.3667 0.5196 0.2861 ( 5554 PWs) bands (ev): -44.2529 -44.2529 -44.2529 -44.2529 -21.0192 -21.0192 -21.0168 -21.0168 -20.4051 -20.4051 -20.4014 -20.4014 -20.3231 -20.3231 -20.3222 -20.3222 -1.0316 -1.0316 -1.0246 -1.0246 6.6818 6.6818 6.7420 6.7420 7.6246 7.6246 7.7514 7.7514 8.4820 8.4820 8.5164 8.5164 12.7921 12.7921 12.7942 12.7942 13.9905 13.9905 14.0045 14.0045 14.4563 14.4563 14.4643 14.4643 k = 0.3611 0.5292 0.2861 ( 5562 PWs) bands (ev): -44.2529 -44.2529 -44.2529 -44.2529 -21.0194 -21.0194 -21.0168 -21.0168 -20.4053 -20.4053 -20.4015 -20.4015 -20.3232 -20.3232 -20.3223 -20.3223 -1.0273 -1.0273 -1.0202 -1.0202 6.7126 6.7126 6.7825 6.7825 7.5618 7.5618 7.6983 7.6983 8.4784 8.4784 8.5125 8.5125 12.8127 12.8127 12.8144 12.8144 13.9747 13.9747 13.9884 13.9884 14.4801 14.4801 14.4886 14.4886 k = 0.3556 0.5389 0.2861 ( 5558 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0195 -21.0195 -21.0169 -21.0169 -20.4055 -20.4055 -20.4017 -20.4017 -20.3233 -20.3233 -20.3224 -20.3224 -1.0236 -1.0236 -1.0164 -1.0164 6.7401 6.7401 6.8208 6.8208 7.5050 7.5050 7.6522 7.6522 8.4755 8.4755 8.5093 8.5093 12.8298 12.8298 12.8312 12.8312 13.9619 13.9619 13.9755 13.9755 14.5053 14.5053 14.5141 14.5141 k = 0.3500 0.5485 0.2861 ( 5550 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0196 -21.0196 -21.0170 -21.0170 -20.4056 -20.4056 -20.4018 -20.4018 -20.3233 -20.3233 -20.3225 -20.3225 -1.0206 -1.0206 -1.0133 -1.0133 6.7631 6.7631 6.8550 6.8550 7.4561 7.4561 7.6146 7.6146 8.4731 8.4731 8.5068 8.5068 12.8431 12.8431 12.8443 12.8443 13.9522 13.9522 13.9657 13.9657 14.5316 14.5316 14.5405 14.5405 k = 0.3444 0.5581 0.2861 ( 5554 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0196 -21.0196 -21.0170 -21.0170 -20.4057 -20.4057 -20.4018 -20.4018 -20.3234 -20.3234 -20.3225 -20.3225 -1.0183 -1.0183 -1.0110 -1.0110 6.7804 6.7804 6.8826 6.8826 7.4178 7.4178 7.5866 7.5866 8.4713 8.4713 8.5050 8.5050 12.8526 12.8526 12.8537 12.8537 13.9456 13.9456 13.9590 13.9590 14.5590 14.5590 14.5669 14.5669 k = 0.3389 0.5677 0.2861 ( 5566 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0197 -21.0197 -21.0171 -21.0171 -20.4058 -20.4058 -20.4019 -20.4019 -20.3234 -20.3234 -20.3225 -20.3225 -1.0169 -1.0169 -1.0096 -1.0096 6.7911 6.7911 6.9009 6.9009 7.3930 7.3930 7.5695 7.5695 8.4703 8.4703 8.5039 8.5039 12.8583 12.8583 12.8592 12.8592 13.9419 13.9419 13.9553 13.9553 14.5870 14.5870 14.5910 14.5910 k = 0.3333 0.5774 0.2861 ( 5574 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0197 -21.0197 -21.0171 -21.0171 -20.4058 -20.4058 -20.4019 -20.4019 -20.3234 -20.3234 -20.3226 -20.3226 -1.0164 -1.0164 -1.0091 -1.0091 6.7946 6.7946 6.9072 6.9072 7.3845 7.3845 7.5638 7.5638 8.4699 8.4699 8.5035 8.5035 12.8601 12.8601 12.8611 12.8611 13.9407 13.9407 13.9541 13.9541 14.6036 14.6036 14.6132 14.6132 k = 0.3333 0.5774 0.2861 ( 5574 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0197 -21.0197 -21.0171 -21.0171 -20.4058 -20.4058 -20.4019 -20.4019 -20.3234 -20.3234 -20.3226 -20.3226 -1.0164 -1.0164 -1.0091 -1.0091 6.7946 6.7946 6.9072 6.9072 7.3845 7.3845 7.5638 7.5638 8.4699 8.4699 8.5035 8.5035 12.8601 12.8601 12.8611 12.8611 13.9407 13.9407 13.9541 13.9541 14.6036 14.6036 14.6132 14.6132 k = 0.3277 0.5676 0.2861 ( 5566 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0197 -21.0197 -21.0171 -21.0171 -20.4058 -20.4058 -20.4019 -20.4019 -20.3234 -20.3234 -20.3225 -20.3225 -1.0170 -1.0170 -1.0096 -1.0096 6.7912 6.7912 6.9010 6.9010 7.3931 7.3931 7.5695 7.5695 8.4703 8.4703 8.5039 8.5039 12.8583 12.8583 12.8592 12.8592 13.9417 13.9417 13.9551 13.9551 14.5866 14.5866 14.5907 14.5907 k = 0.3220 0.5578 0.2861 ( 5566 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0196 -21.0196 -21.0170 -21.0170 -20.4057 -20.4057 -20.4018 -20.4018 -20.3234 -20.3234 -20.3225 -20.3225 -1.0186 -1.0186 -1.0113 -1.0113 6.7814 6.7814 6.8840 6.8840 7.4170 7.4170 7.5861 7.5861 8.4715 8.4715 8.5051 8.5051 12.8530 12.8530 12.8540 12.8540 13.9442 13.9442 13.9575 13.9575 14.5584 14.5584 14.5660 14.5660 k = 0.3164 0.5480 0.2861 ( 5560 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0195 -21.0195 -21.0170 -21.0170 -20.4056 -20.4056 -20.4017 -20.4017 -20.3233 -20.3233 -20.3225 -20.3225 -1.0214 -1.0214 -1.0141 -1.0141 6.7668 6.7668 6.8597 6.8597 7.4528 7.4528 7.6121 7.6121 8.4736 8.4736 8.5071 8.5071 12.8445 12.8445 12.8457 12.8457 13.9473 13.9473 13.9603 13.9603 14.5315 14.5315 14.5396 14.5396 k = 0.3107 0.5382 0.2861 ( 5560 PWs) bands (ev): -44.2529 -44.2529 -44.2528 -44.2528 -21.0194 -21.0194 -21.0169 -21.0169 -20.4054 -20.4054 -20.4016 -20.4016 -20.3233 -20.3233 -20.3224 -20.3224 -1.0253 -1.0253 -1.0182 -1.0182 6.7490 6.7490 6.8317 6.8317 7.4973 7.4973 7.6459 7.6459 8.4766 8.4766 8.5099 8.5099 12.8332 12.8332 12.8346 12.8346 13.9500 13.9500 13.9624 13.9624 14.5068 14.5068 14.5141 14.5141 k = 0.3051 0.5284 0.2861 ( 5560 PWs) bands (ev): -44.2529 -44.2529 -44.2529 -44.2529 -21.0193 -21.0193 -21.0167 -21.0167 -20.4051 -20.4051 -20.4014 -20.4014 -20.3232 -20.3232 -20.3224 -20.3224 -1.0306 -1.0306 -1.0235 -1.0235 6.7294 6.7294 6.8024 6.8024 7.5477 7.5477 7.6861 7.6861 8.4806 8.4806 8.5135 8.5135 12.8196 12.8196 12.8212 12.8212 13.9512 13.9512 13.9628 13.9628 14.4852 14.4852 14.4908 14.4908 k = 0.2994 0.5186 0.2861 ( 5568 PWs) bands (ev): -44.2529 -44.2529 -44.2529 -44.2529 -21.0191 -21.0191 -21.0166 -21.0166 -20.4048 -20.4048 -20.4011 -20.4011 -20.3231 -20.3231 -20.3223 -20.3223 -1.0372 -1.0372 -1.0302 -1.0302 6.7093 6.7093 6.7735 6.7735 7.6024 7.6024 7.7312 7.7312 8.4856 8.4856 8.5180 8.5180 12.8041 12.8041 12.8058 12.8058 13.9496 13.9496 13.9601 13.9601 14.4674 14.4674 14.4709 14.4709 k = 0.2938 0.5089 0.2861 ( 5564 PWs) bands (ev): -44.2530 -44.2530 -44.2530 -44.2530 -21.0188 -21.0188 -21.0164 -21.0164 -20.4044 -20.4044 -20.4008 -20.4008 -20.3230 -20.3230 -20.3222 -20.3222 -1.0451 -1.0451 -1.0382 -1.0382 6.6899 6.6899 6.7463 6.7463 7.6601 7.6601 7.7801 7.7801 8.4918 8.4918 8.5234 8.5234 12.7869 12.7869 12.7889 12.7889 13.9441 13.9441 13.9531 13.9531 14.4544 14.4544 14.4553 14.4553 k = 0.2881 0.4991 0.2861 ( 5556 PWs) bands (ev): -44.2530 -44.2530 -44.2530 -44.2530 -21.0186 -21.0186 -21.0162 -21.0162 -20.4040 -20.4040 -20.4004 -20.4004 -20.3229 -20.3229 -20.3221 -20.3221 -1.0544 -1.0544 -1.0477 -1.0477 6.6719 6.6719 6.7215 6.7215 7.7200 7.7200 7.8318 7.8318 8.4991 8.4991 8.5296 8.5296 12.7686 12.7686 12.7708 12.7708 13.9338 13.9338 13.9412 13.9412 14.4445 14.4445 14.4465 14.4465 k = 0.2825 0.4893 0.2861 ( 5556 PWs) bands (ev): -44.2531 -44.2531 -44.2531 -44.2531 -21.0183 -21.0183 -21.0159 -21.0159 -20.4035 -20.4035 -20.4000 -20.4000 -20.3228 -20.3228 -20.3220 -20.3220 -1.0651 -1.0651 -1.0585 -1.0585 6.6560 6.6560 6.6996 6.6996 7.7815 7.7815 7.8856 7.8856 8.5078 8.5078 8.5368 8.5368 12.7494 12.7494 12.7519 12.7519 13.9182 13.9182 13.9239 13.9239 14.4390 14.4390 14.4439 14.4439 k = 0.2768 0.4795 0.2861 ( 5562 PWs) bands (ev): -44.2532 -44.2532 -44.2532 -44.2532 -21.0179 -21.0179 -21.0156 -21.0156 -20.4029 -20.4029 -20.3994 -20.3994 -20.3227 -20.3227 -20.3219 -20.3219 -1.0772 -1.0772 -1.0708 -1.0708 6.6425 6.6425 6.6810 6.6810 7.8442 7.8442 7.9408 7.9408 8.5179 8.5179 8.5449 8.5449 12.7298 12.7298 12.7325 12.7325 13.8972 13.8972 13.9014 13.9014 14.4383 14.4383 14.4462 14.4462 k = 0.2712 0.4697 0.2861 ( 5572 PWs) bands (ev): -44.2533 -44.2533 -44.2533 -44.2533 -21.0175 -21.0175 -21.0152 -21.0152 -20.4022 -20.4022 -20.3989 -20.3989 -20.3226 -20.3226 -20.3218 -20.3218 -1.0907 -1.0907 -1.0845 -1.0845 6.6320 6.6320 6.6659 6.6659 7.9076 7.9076 7.9966 7.9966 8.5296 8.5296 8.5540 8.5540 12.7099 12.7099 12.7129 12.7129 13.8713 13.8713 13.8741 13.8741 14.4420 14.4420 14.4527 14.4527 k = 0.2655 0.4599 0.2861 ( 5562 PWs) bands (ev): -44.2534 -44.2534 -44.2534 -44.2534 -21.0170 -21.0170 -21.0148 -21.0148 -20.4015 -20.4015 -20.3982 -20.3982 -20.3225 -20.3225 -20.3217 -20.3217 -1.1056 -1.1056 -1.0997 -1.0997 6.6245 6.6245 6.6545 6.6545 7.9714 7.9714 8.0526 8.0526 8.5431 8.5431 8.5640 8.5640 12.6902 12.6902 12.6935 12.6935 13.8410 13.8410 13.8429 13.8429 14.4493 14.4493 14.4624 14.4624 k = 0.2599 0.4501 0.2861 ( 5562 PWs) bands (ev): -44.2535 -44.2535 -44.2535 -44.2535 -21.0165 -21.0165 -21.0144 -21.0144 -20.4007 -20.4007 -20.3975 -20.3975 -20.3223 -20.3223 -20.3216 -20.3216 -1.1219 -1.1219 -1.1162 -1.1162 6.6204 6.6204 6.6467 6.6467 8.0353 8.0353 8.1082 8.1082 8.5587 8.5587 8.5752 8.5752 12.6708 12.6708 12.6744 12.6744 13.8072 13.8072 13.8084 13.8084 14.4591 14.4591 14.4744 14.4744 k = 0.2542 0.4404 0.2861 ( 5566 PWs) bands (ev): -44.2536 -44.2536 -44.2536 -44.2536 -21.0160 -21.0160 -21.0139 -21.0139 -20.3998 -20.3998 -20.3967 -20.3967 -20.3222 -20.3222 -20.3215 -20.3215 -1.1396 -1.1396 -1.1341 -1.1341 6.6196 6.6196 6.6428 6.6428 8.0991 8.0991 8.1625 8.1625 8.5767 8.5767 8.5874 8.5874 12.6521 12.6521 12.6560 12.6560 13.7707 13.7707 13.7714 13.7714 14.4706 14.4706 14.4879 14.4879 k = 0.2486 0.4306 0.2861 ( 5562 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0154 -21.0154 -21.0134 -21.0134 -20.3989 -20.3989 -20.3959 -20.3959 -20.3221 -20.3221 -20.3214 -20.3214 -1.1586 -1.1586 -1.1533 -1.1533 6.6223 6.6223 6.6426 6.6426 8.1623 8.1623 8.2151 8.2151 8.5975 8.5975 8.6009 8.6009 12.6342 12.6342 12.6385 12.6385 13.7321 13.7321 13.7325 13.7325 14.4830 14.4830 14.5020 14.5020 k = 0.2429 0.4208 0.2861 ( 5562 PWs) bands (ev): -44.2539 -44.2539 -44.2539 -44.2539 -21.0148 -21.0148 -21.0128 -21.0128 -20.3978 -20.3978 -20.3949 -20.3949 -20.3220 -20.3220 -20.3213 -20.3213 -1.1789 -1.1789 -1.1738 -1.1738 6.6284 6.6284 6.6462 6.6462 8.2246 8.2246 8.2653 8.2653 8.6158 8.6158 8.6216 8.6216 12.6174 12.6174 12.6221 12.6221 13.6920 13.6920 13.6925 13.6925 14.4954 14.4954 14.5161 14.5161 k = 0.2373 0.4110 0.2861 ( 5562 PWs) bands (ev): -44.2540 -44.2540 -44.2540 -44.2540 -21.0141 -21.0141 -21.0122 -21.0122 -20.3967 -20.3967 -20.3939 -20.3939 -20.3219 -20.3219 -20.3212 -20.3212 -1.2004 -1.2004 -1.1955 -1.1955 6.6379 6.6379 6.6534 6.6534 8.2857 8.2857 8.3122 8.3122 8.6323 8.6323 8.6493 8.6493 12.6020 12.6020 12.6070 12.6070 13.6511 13.6511 13.6516 13.6516 14.5074 14.5074 14.5296 14.5296 k = 0.2316 0.4012 0.2861 ( 5560 PWs) bands (ev): -44.2542 -44.2542 -44.2542 -44.2542 -21.0134 -21.0134 -21.0116 -21.0116 -20.3955 -20.3955 -20.3929 -20.3929 -20.3218 -20.3218 -20.3211 -20.3211 -1.2230 -1.2230 -1.2184 -1.2184 6.6508 6.6508 6.6641 6.6641 8.3449 8.3449 8.3556 8.3556 8.6508 8.6508 8.6810 8.6810 12.5880 12.5880 12.5935 12.5935 13.6098 13.6098 13.6105 13.6105 14.5183 14.5183 14.5419 14.5419 k = 0.2260 0.3914 0.2861 ( 5548 PWs) bands (ev): -44.2543 -44.2543 -44.2543 -44.2543 -21.0126 -21.0126 -21.0109 -21.0109 -20.3943 -20.3943 -20.3917 -20.3917 -20.3217 -20.3217 -20.3210 -20.3210 -1.2467 -1.2467 -1.2424 -1.2424 6.6670 6.6670 6.6783 6.6783 8.3951 8.3951 8.4016 8.4016 8.6718 8.6718 8.7167 8.7167 12.5758 12.5758 12.5816 12.5816 13.5685 13.5685 13.5695 13.5695 14.5277 14.5277 14.5526 14.5526 k = 0.2203 0.3816 0.2861 ( 5556 PWs) bands (ev): -44.2545 -44.2545 -44.2545 -44.2545 -21.0118 -21.0118 -21.0102 -21.0102 -20.3930 -20.3930 -20.3905 -20.3905 -20.3216 -20.3216 -20.3210 -20.3210 -1.2715 -1.2715 -1.2674 -1.2674 6.6862 6.6862 6.6958 6.6958 8.4308 8.4308 8.4550 8.4550 8.6960 8.6960 8.7562 8.7562 12.5654 12.5654 12.5717 12.5717 13.5275 13.5275 13.5289 13.5289 14.5352 14.5352 14.5613 14.5613 k = 0.2147 0.3719 0.2861 ( 5554 PWs) bands (ev): -44.2547 -44.2547 -44.2547 -44.2547 -21.0110 -21.0110 -21.0094 -21.0094 -20.3916 -20.3916 -20.3892 -20.3892 -20.3215 -20.3215 -20.3209 -20.3209 -1.2972 -1.2972 -1.2933 -1.2933 6.7085 6.7085 6.7163 6.7163 8.4630 8.4630 8.5042 8.5042 8.7241 8.7241 8.7990 8.7990 12.5571 12.5571 12.5638 12.5638 13.4872 13.4872 13.4891 13.4891 14.5404 14.5404 14.5677 14.5677 k = 0.2090 0.3621 0.2861 ( 5554 PWs) bands (ev): -44.2549 -44.2549 -44.2549 -44.2549 -21.0101 -21.0101 -21.0086 -21.0086 -20.3901 -20.3901 -20.3879 -20.3879 -20.3214 -20.3214 -20.3208 -20.3208 -1.3237 -1.3237 -1.3201 -1.3201 6.7335 6.7335 6.7398 6.7398 8.4925 8.4925 8.5482 8.5482 8.7569 8.7569 8.8441 8.8441 12.5509 12.5509 12.5581 12.5581 13.4479 13.4479 13.4502 13.4502 14.5429 14.5429 14.5715 14.5715 k = 0.2034 0.3523 0.2861 ( 5556 PWs) bands (ev): -44.2551 -44.2551 -44.2551 -44.2551 -21.0092 -21.0092 -21.0078 -21.0078 -20.3886 -20.3886 -20.3865 -20.3865 -20.3214 -20.3214 -20.3208 -20.3208 -1.3510 -1.3510 -1.3476 -1.3476 6.7612 6.7612 6.7660 6.7660 8.5198 8.5198 8.5869 8.5869 8.7945 8.7945 8.8910 8.8910 12.5471 12.5471 12.5547 12.5547 13.4099 13.4099 13.4127 13.4127 14.5427 14.5427 14.5723 14.5723 k = 0.1977 0.3425 0.2861 ( 5556 PWs) bands (ev): -44.2553 -44.2553 -44.2553 -44.2553 -21.0082 -21.0082 -21.0070 -21.0070 -20.3871 -20.3871 -20.3850 -20.3850 -20.3213 -20.3213 -20.3207 -20.3207 -1.3790 -1.3790 -1.3758 -1.3758 6.7912 6.7912 6.7946 6.7946 8.5455 8.5455 8.6207 8.6207 8.8363 8.8363 8.9389 8.9389 12.5457 12.5457 12.5537 12.5537 13.3733 13.3733 13.3766 13.3766 14.5393 14.5393 14.5699 14.5699 k = 0.1921 0.3327 0.2861 ( 5562 PWs) bands (ev): -44.2555 -44.2555 -44.2555 -44.2555 -21.0073 -21.0073 -21.0061 -21.0061 -20.3855 -20.3855 -20.3835 -20.3835 -20.3213 -20.3213 -20.3207 -20.3207 -1.4076 -1.4076 -1.4046 -1.4046 6.8233 6.8233 6.8255 6.8255 8.5702 8.5702 8.6506 8.6506 8.8814 8.8814 8.9871 8.9871 12.5467 12.5467 12.5552 12.5552 13.3385 13.3385 13.3423 13.3423 14.5326 14.5326 14.5642 14.5642 k = 0.1864 0.3229 0.2861 ( 5570 PWs) bands (ev): -44.2557 -44.2557 -44.2557 -44.2557 -21.0063 -21.0063 -21.0052 -21.0052 -20.3838 -20.3838 -20.3820 -20.3820 -20.3212 -20.3212 -20.3207 -20.3207 -1.4366 -1.4366 -1.4338 -1.4338 6.8573 6.8573 6.8583 6.8583 8.5944 8.5944 8.6777 8.6777 8.9285 8.9285 9.0352 9.0352 12.5503 12.5503 12.5593 12.5593 13.3056 13.3056 13.3100 13.3100 14.5225 14.5225 14.5549 14.5549 k = 0.1808 0.3131 0.2861 ( 5560 PWs) bands (ev): -44.2559 -44.2559 -44.2559 -44.2559 -21.0053 -21.0053 -21.0042 -21.0042 -20.3821 -20.3821 -20.3804 -20.3804 -20.3212 -20.3212 -20.3207 -20.3207 -1.4660 -1.4660 -1.4634 -1.4634 6.8928 6.8928 6.8929 6.8929 8.6183 8.6183 8.7031 8.7031 8.9765 8.9765 9.0826 9.0826 12.5565 12.5565 12.5659 12.5659 13.2748 13.2748 13.2797 13.2797 14.5089 14.5089 14.5418 14.5418 k = 0.1751 0.3034 0.2861 ( 5568 PWs) bands (ev): -44.2561 -44.2561 -44.2561 -44.2561 -21.0043 -21.0043 -21.0033 -21.0033 -20.3803 -20.3803 -20.3787 -20.3787 -20.3212 -20.3212 -20.3207 -20.3207 -1.4956 -1.4956 -1.4933 -1.4933 6.9287 6.9287 6.9297 6.9297 8.6425 8.6425 8.7275 8.7275 9.0246 9.0246 9.1292 9.1292 12.5652 12.5652 12.5751 12.5751 13.2463 13.2463 13.2517 13.2517 14.4915 14.4915 14.5248 14.5248 k = 0.1695 0.2936 0.2861 ( 5574 PWs) bands (ev): -44.2563 -44.2563 -44.2563 -44.2563 -21.0032 -21.0032 -21.0023 -21.0023 -20.3785 -20.3785 -20.3770 -20.3770 -20.3211 -20.3211 -20.3207 -20.3207 -1.5254 -1.5254 -1.5233 -1.5233 6.9656 6.9656 6.9675 6.9675 8.6671 8.6671 8.7516 8.7516 9.0723 9.0723 9.1747 9.1747 12.5765 12.5765 12.5869 12.5869 13.2202 13.2202 13.2262 13.2262 14.4705 14.4705 14.5039 14.5039 k = 0.1638 0.2838 0.2861 ( 5574 PWs) bands (ev): -44.2566 -44.2566 -44.2566 -44.2566 -21.0022 -21.0022 -21.0013 -21.0013 -20.3767 -20.3767 -20.3753 -20.3753 -20.3211 -20.3211 -20.3207 -20.3207 -1.5553 -1.5553 -1.5534 -1.5534 7.0032 7.0032 7.0059 7.0059 8.6924 8.6924 8.7759 8.7759 9.1192 9.1192 9.2188 9.2188 12.5902 12.5902 12.6011 12.6011 13.1967 13.1967 13.2032 13.2032 14.4458 14.4458 14.4791 14.4791 k = 0.1582 0.2740 0.2861 ( 5574 PWs) bands (ev): -44.2568 -44.2568 -44.2568 -44.2568 -21.0011 -21.0011 -21.0004 -21.0004 -20.3749 -20.3749 -20.3736 -20.3736 -20.3211 -20.3211 -20.3207 -20.3207 -1.5852 -1.5852 -1.5835 -1.5835 7.0411 7.0411 7.0445 7.0445 8.7187 8.7187 8.8007 8.8007 9.1649 9.1649 9.2613 9.2613 12.6064 12.6064 12.6176 12.6176 13.1758 13.1758 13.1828 13.1828 14.4175 14.4175 14.4504 14.4504 k = 0.1525 0.2642 0.2861 ( 5574 PWs) bands (ev): -44.2570 -44.2570 -44.2570 -44.2570 -21.0001 -21.0001 -20.9994 -20.9994 -20.3730 -20.3730 -20.3718 -20.3718 -20.3211 -20.3211 -20.3207 -20.3207 -1.6150 -1.6150 -1.6134 -1.6134 7.0791 7.0791 7.0831 7.0831 8.7461 8.7461 8.8262 8.8262 9.2093 9.2093 9.3022 9.3022 12.6247 12.6247 12.6364 12.6364 13.1577 13.1577 13.1652 13.1652 14.3856 14.3856 14.4179 14.4179 k = 0.1469 0.2544 0.2861 ( 5578 PWs) bands (ev): -44.2572 -44.2572 -44.2572 -44.2572 -20.9990 -20.9990 -20.9984 -20.9984 -20.3711 -20.3711 -20.3700 -20.3700 -20.3211 -20.3211 -20.3207 -20.3207 -1.6445 -1.6445 -1.6431 -1.6431 7.1168 7.1168 7.1213 7.1213 8.7749 8.7749 8.8529 8.8529 9.2522 9.2522 9.3414 9.3414 12.6452 12.6452 12.6573 12.6573 13.1425 13.1425 13.1504 13.1504 14.3504 14.3504 14.3818 14.3818 k = 0.1412 0.2446 0.2861 ( 5578 PWs) bands (ev): -44.2575 -44.2575 -44.2575 -44.2575 -20.9980 -20.9980 -20.9974 -20.9974 -20.3692 -20.3692 -20.3682 -20.3682 -20.3211 -20.3211 -20.3208 -20.3208 -1.6738 -1.6738 -1.6725 -1.6725 7.1538 7.1538 7.1586 7.1586 8.8053 8.8053 8.8808 8.8808 9.2934 9.2934 9.3788 9.3788 12.6675 12.6675 12.6800 12.6800 13.1300 13.1300 13.1383 13.1383 14.3120 14.3120 14.3424 14.3424 k = 0.1356 0.2349 0.2861 ( 5578 PWs) bands (ev): -44.2577 -44.2577 -44.2577 -44.2577 -20.9969 -20.9969 -20.9964 -20.9964 -20.3674 -20.3674 -20.3664 -20.3664 -20.3212 -20.3212 -20.3208 -20.3208 -1.7026 -1.7026 -1.7014 -1.7014 7.1899 7.1899 7.1949 7.1949 8.8374 8.8374 8.9103 8.9103 9.3330 9.3330 9.4144 9.4144 12.6916 12.6916 12.7045 12.7045 13.1204 13.1204 13.1291 13.1291 14.2706 14.2706 14.2998 14.2998 k = 0.1299 0.2251 0.2861 ( 5582 PWs) bands (ev): -44.2579 -44.2579 -44.2579 -44.2579 -20.9959 -20.9959 -20.9954 -20.9954 -20.3655 -20.3655 -20.3646 -20.3646 -20.3212 -20.3212 -20.3209 -20.3209 -1.7309 -1.7309 -1.7299 -1.7299 7.2247 7.2247 7.2297 7.2297 8.8713 8.8713 8.9413 8.9413 9.3708 9.3708 9.4481 9.4481 12.7171 12.7171 12.7304 12.7304 13.1137 13.1137 13.1226 13.1226 14.2265 14.2265 14.2544 14.2544 k = 0.1243 0.2153 0.2861 ( 5586 PWs) bands (ev): -44.2581 -44.2581 -44.2581 -44.2581 -20.9949 -20.9949 -20.9945 -20.9945 -20.3636 -20.3636 -20.3629 -20.3629 -20.3212 -20.3212 -20.3209 -20.3209 -1.7587 -1.7587 -1.7578 -1.7578 7.2579 7.2579 7.2629 7.2629 8.9072 8.9072 8.9741 8.9741 9.4068 9.4068 9.4799 9.4799 12.7439 12.7439 12.7575 12.7575 13.1097 13.1097 13.1188 13.1188 14.1799 14.1799 14.2065 14.2065 k = 0.1186 0.2055 0.2861 ( 5584 PWs) bands (ev): -44.2584 -44.2584 -44.2584 -44.2584 -20.9939 -20.9939 -20.9935 -20.9935 -20.3618 -20.3618 -20.3611 -20.3611 -20.3212 -20.3212 -20.3209 -20.3209 -1.7858 -1.7858 -1.7850 -1.7850 7.2893 7.2893 7.2942 7.2942 8.9451 8.9451 9.0087 9.0087 9.4410 9.4410 9.5099 9.5099 12.7718 12.7718 12.7856 12.7856 13.1083 13.1083 13.1175 13.1175 14.1312 14.1312 14.1563 14.1563 k = 0.1130 0.1957 0.2861 ( 5576 PWs) bands (ev): -44.2586 -44.2586 -44.2586 -44.2586 -20.9929 -20.9929 -20.9926 -20.9926 -20.3600 -20.3600 -20.3594 -20.3594 -20.3213 -20.3213 -20.3210 -20.3210 -1.8122 -1.8122 -1.8115 -1.8115 7.3188 7.3188 7.3235 7.3235 8.9849 8.9849 9.0451 9.0451 9.4734 9.4734 9.5380 9.5380 12.8005 12.8005 12.8144 12.8144 13.1093 13.1093 13.1186 13.1186 14.0807 14.0807 14.1042 14.1042 k = 0.1073 0.1859 0.2861 ( 5576 PWs) bands (ev): -44.2588 -44.2588 -44.2588 -44.2588 -20.9920 -20.9920 -20.9917 -20.9917 -20.3582 -20.3582 -20.3577 -20.3577 -20.3213 -20.3213 -20.3210 -20.3210 -1.8377 -1.8377 -1.8372 -1.8372 7.3461 7.3461 7.3505 7.3505 9.0266 9.0266 9.0833 9.0833 9.5041 9.5041 9.5643 9.5643 12.8298 12.8298 12.8438 12.8438 13.1127 13.1127 13.1218 13.1218 14.0286 14.0286 14.0506 14.0506 k = 0.1017 0.1761 0.2861 ( 5572 PWs) bands (ev): -44.2590 -44.2590 -44.2590 -44.2590 -20.9911 -20.9911 -20.9908 -20.9908 -20.3565 -20.3565 -20.3560 -20.3560 -20.3213 -20.3213 -20.3211 -20.3211 -1.8624 -1.8624 -1.8619 -1.8619 7.3712 7.3712 7.3752 7.3752 9.0701 9.0701 9.1231 9.1231 9.5330 9.5330 9.5890 9.5890 12.8595 12.8595 12.8735 12.8735 13.1180 13.1180 13.1270 13.1270 13.9753 13.9753 13.9958 13.9958 k = 0.0960 0.1664 0.2861 ( 5572 PWs) bands (ev): -44.2592 -44.2592 -44.2592 -44.2592 -20.9902 -20.9902 -20.9900 -20.9900 -20.3548 -20.3548 -20.3544 -20.3544 -20.3213 -20.3213 -20.3211 -20.3211 -1.8862 -1.8862 -1.8857 -1.8857 7.3940 7.3940 7.3977 7.3977 9.1150 9.1150 9.1642 9.1642 9.5602 9.5602 9.6119 9.6119 12.8893 12.8893 12.9033 12.9033 13.1251 13.1251 13.1337 13.1337 13.9211 13.9211 13.9402 13.9402 k = 0.0904 0.1566 0.2861 ( 5576 PWs) bands (ev): -44.2594 -44.2594 -44.2594 -44.2594 -20.9894 -20.9894 -20.9892 -20.9892 -20.3532 -20.3532 -20.3528 -20.3528 -20.3214 -20.3214 -20.3212 -20.3212 -1.9089 -1.9089 -1.9085 -1.9085 7.4146 7.4146 7.4178 7.4178 9.1611 9.1611 9.2065 9.2065 9.5858 9.5858 9.6333 9.6333 12.9193 12.9193 12.9330 12.9330 13.1336 13.1336 13.1418 13.1418 13.8665 13.8665 13.8840 13.8840 k = 0.0847 0.1468 0.2861 ( 5572 PWs) bands (ev): -44.2596 -44.2596 -44.2596 -44.2596 -20.9886 -20.9886 -20.9884 -20.9884 -20.3516 -20.3516 -20.3513 -20.3513 -20.3214 -20.3214 -20.3212 -20.3212 -1.9305 -1.9305 -1.9303 -1.9303 7.4329 7.4329 7.4357 7.4357 9.2080 9.2080 9.2496 9.2496 9.6100 9.6100 9.6532 9.6532 12.9490 12.9490 12.9624 12.9624 13.1432 13.1432 13.1510 13.1510 13.8117 13.8117 13.8278 13.8278 k = 0.0791 0.1370 0.2861 ( 5584 PWs) bands (ev): -44.2597 -44.2597 -44.2597 -44.2597 -20.9878 -20.9878 -20.9877 -20.9877 -20.3501 -20.3501 -20.3499 -20.3499 -20.3214 -20.3214 -20.3213 -20.3213 -1.9511 -1.9511 -1.9508 -1.9508 7.4492 7.4492 7.4515 7.4515 9.2553 9.2553 9.2930 9.2930 9.6327 9.6327 9.6717 9.6717 12.9785 12.9785 12.9915 12.9915 13.1536 13.1536 13.1608 13.1608 13.7572 13.7572 13.7719 13.7719 k = 0.0734 0.1272 0.2861 ( 5580 PWs) bands (ev): -44.2599 -44.2599 -44.2599 -44.2599 -20.9871 -20.9871 -20.9870 -20.9870 -20.3487 -20.3487 -20.3485 -20.3485 -20.3214 -20.3214 -20.3213 -20.3213 -1.9704 -1.9704 -1.9702 -1.9702 7.4633 7.4633 7.4653 7.4653 9.3025 9.3025 9.3362 9.3362 9.6542 9.6542 9.6889 9.6889 13.0074 13.0074 13.0199 13.0199 13.1644 13.1644 13.1710 13.1710 13.7035 13.7035 13.7167 13.7167 k = 0.0678 0.1174 0.2861 ( 5580 PWs) bands (ev): -44.2601 -44.2601 -44.2601 -44.2601 -20.9864 -20.9864 -20.9863 -20.9863 -20.3474 -20.3474 -20.3472 -20.3472 -20.3214 -20.3214 -20.3213 -20.3213 -1.9885 -1.9885 -1.9884 -1.9884 7.4756 7.4756 7.4772 7.4772 9.3489 9.3489 9.3786 9.3786 9.6745 9.6745 9.7051 9.7051 13.0357 13.0357 13.0476 13.0476 13.1752 13.1752 13.1812 13.1812 13.6509 13.6509 13.6628 13.6628 k = 0.0621 0.1076 0.2861 ( 5576 PWs) bands (ev): -44.2602 -44.2602 -44.2602 -44.2602 -20.9858 -20.9858 -20.9857 -20.9857 -20.3462 -20.3462 -20.3460 -20.3460 -20.3214 -20.3214 -20.3214 -20.3214 -2.0053 -2.0053 -2.0052 -2.0052 7.4862 7.4862 7.4874 7.4874 9.3940 9.3940 9.4197 9.4197 9.6940 9.6940 9.7203 9.7203 13.0631 13.0631 13.0743 13.0743 13.1859 13.1859 13.1913 13.1913 13.5999 13.5999 13.6105 13.6105 k = 0.0565 0.0979 0.2861 ( 5574 PWs) bands (ev): -44.2603 -44.2603 -44.2603 -44.2603 -20.9852 -20.9852 -20.9851 -20.9851 -20.3450 -20.3450 -20.3449 -20.3449 -20.3214 -20.3214 -20.3214 -20.3214 -2.0208 -2.0208 -2.0208 -2.0208 7.4952 7.4952 7.4961 7.4961 9.4371 9.4371 9.4588 9.4588 9.7126 9.7126 9.7348 9.7348 13.0894 13.0894 13.0998 13.0998 13.1962 13.1962 13.2010 13.2010 13.5510 13.5510 13.5603 13.5603 k = 0.0508 0.0881 0.2861 ( 5574 PWs) bands (ev): -44.2605 -44.2605 -44.2605 -44.2605 -20.9847 -20.9847 -20.9846 -20.9846 -20.3440 -20.3440 -20.3439 -20.3439 -20.3214 -20.3214 -20.3214 -20.3214 -2.0350 -2.0350 -2.0349 -2.0349 7.5027 7.5027 7.5034 7.5034 9.4774 9.4774 9.4951 9.4951 9.7307 9.7307 9.7488 9.7488 13.1144 13.1144 13.1239 13.1239 13.2058 13.2058 13.2101 13.2101 13.5048 13.5048 13.5128 13.5128 k = 0.0452 0.0783 0.2861 ( 5570 PWs) bands (ev): -44.2606 -44.2606 -44.2606 -44.2606 -20.9842 -20.9842 -20.9842 -20.9842 -20.3430 -20.3430 -20.3430 -20.3430 -20.3214 -20.3214 -20.3214 -20.3214 -2.0477 -2.0477 -2.0477 -2.0477 7.5090 7.5090 7.5095 7.5095 9.5144 9.5144 9.5282 9.5282 9.7483 9.7483 9.7624 9.7624 13.1378 13.1378 13.1464 13.1464 13.2145 13.2145 13.2183 13.2183 13.4617 13.4617 13.4685 13.4685 k = 0.0395 0.0685 0.2861 ( 5570 PWs) bands (ev): -44.2607 -44.2607 -44.2607 -44.2607 -20.9838 -20.9838 -20.9837 -20.9837 -20.3422 -20.3422 -20.3421 -20.3421 -20.3214 -20.3214 -20.3214 -20.3214 -2.0591 -2.0591 -2.0590 -2.0590 7.5141 7.5141 7.5145 7.5145 9.5472 9.5472 9.5573 9.5573 9.7654 9.7654 9.7757 9.7757 13.1593 13.1593 13.1670 13.1670 13.2222 13.2222 13.2257 13.2257 13.4223 13.4223 13.4279 13.4279 k = 0.0339 0.0587 0.2861 ( 5566 PWs) bands (ev): -44.2608 -44.2608 -44.2608 -44.2608 -20.9834 -20.9834 -20.9834 -20.9834 -20.3415 -20.3415 -20.3414 -20.3414 -20.3214 -20.3214 -20.3214 -20.3214 -2.0689 -2.0689 -2.0689 -2.0689 7.5183 7.5183 7.5185 7.5185 9.5755 9.5755 9.5824 9.5824 9.7818 9.7818 9.7888 9.7888 13.1788 13.1788 13.1854 13.1854 13.2288 13.2288 13.2319 13.2319 13.3872 13.3872 13.3916 13.3916 k = 0.0282 0.0489 0.2861 ( 5570 PWs) bands (ev): -44.2608 -44.2608 -44.2608 -44.2608 -20.9831 -20.9831 -20.9831 -20.9831 -20.3408 -20.3408 -20.3408 -20.3408 -20.3214 -20.3214 -20.3214 -20.3214 -2.0773 -2.0773 -2.0773 -2.0773 7.5216 7.5216 7.5217 7.5217 9.5989 9.5989 9.6031 9.6031 9.7972 9.7972 9.8014 9.8014 13.1959 13.1959 13.2014 13.2014 13.2341 13.2341 13.2369 13.2369 13.3569 13.3569 13.3600 13.3600 k = 0.0226 0.0391 0.2861 ( 5574 PWs) bands (ev): -44.2609 -44.2609 -44.2609 -44.2609 -20.9828 -20.9828 -20.9828 -20.9828 -20.3403 -20.3403 -20.3403 -20.3403 -20.3214 -20.3214 -20.3214 -20.3214 -2.0842 -2.0842 -2.0842 -2.0842 7.5241 7.5241 7.5242 7.5242 9.6174 9.6174 9.6196 9.6196 9.8109 9.8109 9.8131 9.8131 13.2105 13.2105 13.2148 13.2148 13.2381 13.2381 13.2406 13.2406 13.3318 13.3318 13.3339 13.3339 k = 0.0169 0.0294 0.2861 ( 5578 PWs) bands (ev): -44.2609 -44.2609 -44.2609 -44.2609 -20.9826 -20.9826 -20.9826 -20.9826 -20.3399 -20.3399 -20.3399 -20.3399 -20.3214 -20.3214 -20.3214 -20.3214 -2.0896 -2.0896 -2.0896 -2.0896 7.5260 7.5260 7.5261 7.5261 9.6311 9.6311 9.6321 9.6321 9.8223 9.8223 9.8233 9.8233 13.2221 13.2221 13.2251 13.2251 13.2409 13.2409 13.2429 13.2429 13.3125 13.3125 13.3136 13.3136 k = 0.0113 0.0196 0.2861 ( 5586 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9825 -20.9825 -20.9825 -20.9825 -20.3397 -20.3397 -20.3397 -20.3397 -20.3214 -20.3214 -20.3214 -20.3214 -2.0934 -2.0934 -2.0934 -2.0934 7.5273 7.5273 7.5273 7.5273 9.6406 9.6406 9.6409 9.6409 9.8309 9.8309 9.8312 9.8312 13.2304 13.2304 13.2319 13.2319 13.2429 13.2429 13.2441 13.2441 13.2991 13.2991 13.2995 13.2995 k = 0.0056 0.0098 0.2861 ( 5590 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9824 -20.9824 -20.9824 -20.9824 -20.3395 -20.3395 -20.3395 -20.3395 -20.3214 -20.3214 -20.3214 -20.3214 -2.0958 -2.0958 -2.0958 -2.0958 7.5281 7.5281 7.5281 7.5281 9.6460 9.6460 9.6461 9.6461 9.8363 9.8363 9.8363 9.8363 13.2349 13.2349 13.2352 13.2352 13.2446 13.2446 13.2448 13.2448 13.2914 13.2914 13.2915 13.2915 k = 0.0000 0.0000 0.2861 ( 5590 PWs) bands (ev): -44.2610 -44.2610 -44.2610 -44.2610 -20.9824 -20.9824 -20.9824 -20.9824 -20.3394 -20.3394 -20.3394 -20.3394 -20.3214 -20.3214 -20.3214 -20.3214 -2.0965 -2.0965 -2.0965 -2.0965 7.5283 7.5283 7.5283 7.5283 9.6478 9.6478 9.6478 9.6478 9.8381 9.8381 9.8381 9.8381 13.2360 13.2360 13.2360 13.2360 13.2453 13.2453 13.2453 13.2453 13.2889 13.2889 13.2889 13.2889 k = 0.5000 0.2887 0.2861 ( 5552 PWs) bands (ev): -44.2537 -44.2537 -44.2537 -44.2537 -21.0155 -21.0155 -21.0155 -21.0155 -20.3998 -20.3998 -20.3998 -20.3998 -20.3184 -20.3184 -20.3184 -20.3184 -1.1399 -1.1399 -1.1399 -1.1399 6.1361 6.1361 6.1361 6.1361 8.5359 8.5359 8.5359 8.5359 9.1645 9.1645 9.1645 9.1645 12.1065 12.1065 12.1065 12.1065 14.3609 14.3609 14.3609 14.3609 14.5862 14.5862 14.5862 14.5862 k = 0.5000 0.2887 0.2751 ( 5544 PWs) bands (ev): -44.2543 -44.2543 -44.2531 -44.2531 -21.0165 -21.0165 -21.0146 -21.0146 -20.4006 -20.4006 -20.3992 -20.3992 -20.3226 -20.3226 -20.3141 -20.3141 -1.1455 -1.1455 -1.1344 -1.1344 6.1029 6.1029 6.1711 6.1711 8.5284 8.5284 8.5410 8.5410 9.1335 9.1335 9.1960 9.1960 12.0490 12.0490 12.1632 12.1632 14.3546 14.3546 14.3667 14.3667 14.5751 14.5751 14.5982 14.5982 k = 0.5000 0.2887 0.2641 ( 5542 PWs) bands (ev): -44.2549 -44.2549 -44.2525 -44.2525 -21.0174 -21.0174 -21.0138 -21.0138 -20.4013 -20.4013 -20.3985 -20.3985 -20.3267 -20.3267 -20.3097 -20.3097 -1.1511 -1.1511 -1.1290 -1.1290 6.0714 6.0714 6.2078 6.2078 8.5186 8.5186 8.5434 8.5434 9.1031 9.1031 9.2278 9.2278 11.9911 11.9911 12.2187 12.2187 14.3479 14.3479 14.3718 14.3718 14.5647 14.5647 14.6113 14.6113 k = 0.5000 0.2887 0.2531 ( 5540 PWs) bands (ev): -44.2555 -44.2555 -44.2519 -44.2519 -21.0184 -21.0184 -21.0129 -21.0129 -20.4021 -20.4021 -20.3980 -20.3980 -20.3307 -20.3307 -20.3054 -20.3054 -1.1566 -1.1566 -1.1237 -1.1237 6.0416 6.0416 6.2463 6.2463 8.5069 8.5069 8.5431 8.5431 9.0732 9.0732 9.2598 9.2598 11.9330 11.9330 12.2729 12.2729 14.3410 14.3410 14.3758 14.3758 14.5549 14.5549 14.6255 14.6255 k = 0.5000 0.2887 0.2421 ( 5536 PWs) bands (ev): -44.2561 -44.2561 -44.2513 -44.2513 -21.0194 -21.0194 -21.0121 -21.0121 -20.4029 -20.4029 -20.3975 -20.3975 -20.3345 -20.3345 -20.3010 -20.3010 -1.1622 -1.1622 -1.1184 -1.1184 6.0135 6.0135 6.2865 6.2865 8.4935 8.4935 8.5397 8.5397 9.0441 9.0441 9.2921 9.2921 11.8751 11.8751 12.3254 12.3254 14.3340 14.3340 14.3784 14.3784 14.5456 14.5456 14.6410 14.6410 k = 0.5000 0.2887 0.2311 ( 5550 PWs) bands (ev): -44.2567 -44.2567 -44.2508 -44.2508 -21.0204 -21.0204 -21.0114 -21.0114 -20.4037 -20.4037 -20.3971 -20.3971 -20.3382 -20.3382 -20.2966 -20.2966 -1.1677 -1.1677 -1.1133 -1.1133 5.9871 5.9871 6.3284 6.3284 8.4786 8.4786 8.5331 8.5331 9.0156 9.0156 9.3244 9.3244 11.8177 11.8177 12.3758 12.3758 14.3270 14.3270 14.3787 14.3787 14.5367 14.5367 14.6580 14.6580 k = 0.5000 0.2887 0.2201 ( 5552 PWs) bands (ev): -44.2572 -44.2572 -44.2502 -44.2502 -21.0215 -21.0215 -21.0106 -21.0106 -20.4045 -20.4045 -20.3968 -20.3968 -20.3417 -20.3417 -20.2923 -20.2923 -1.1732 -1.1732 -1.1083 -1.1083 5.9623 5.9623 6.3720 6.3720 8.4625 8.4625 8.5233 8.5233 8.9878 8.9878 9.3566 9.3566 11.7611 11.7611 12.4241 12.4241 14.3199 14.3199 14.3758 14.3758 14.5281 14.5281 14.6760 14.6760 k = 0.5000 0.2887 0.2091 ( 5556 PWs) bands (ev): -44.2578 -44.2578 -44.2496 -44.2496 -21.0225 -21.0225 -21.0099 -21.0099 -20.4053 -20.4053 -20.3966 -20.3966 -20.3449 -20.3449 -20.2880 -20.2880 -1.1786 -1.1786 -1.1035 -1.1035 5.9391 5.9391 6.4173 6.4173 8.4453 8.4453 8.5103 8.5103 8.9609 8.9609 9.3886 9.3886 11.7055 11.7055 12.4699 12.4699 14.3129 14.3129 14.3678 14.3678 14.5197 14.5197 14.6658 14.6658 k = 0.5000 0.2887 0.1981 ( 5558 PWs) bands (ev): -44.2583 -44.2583 -44.2491 -44.2491 -21.0235 -21.0235 -21.0093 -21.0093 -20.4061 -20.4061 -20.3965 -20.3965 -20.3479 -20.3479 -20.2838 -20.2838 -1.1839 -1.1839 -1.0989 -1.0989 5.9175 5.9175 6.4642 6.4642 8.4274 8.4274 8.4939 8.4939 8.9348 8.9348 9.4204 9.4204 11.6512 11.6512 12.5132 12.5132 14.3058 14.3058 14.3529 14.3529 14.5117 14.5117 14.6208 14.6208 k = 0.5000 0.2887 0.1871 ( 5574 PWs) bands (ev): -44.2588 -44.2588 -44.2486 -44.2486 -21.0246 -21.0246 -21.0087 -21.0087 -20.4068 -20.4068 -20.3965 -20.3965 -20.3507 -20.3507 -20.2797 -20.2797 -1.1891 -1.1891 -1.0944 -1.0944 5.8975 5.8975 6.5126 6.5126 8.4088 8.4088 8.4744 8.4744 8.9096 8.9096 9.4516 9.4516 11.5985 11.5985 12.5539 12.5539 14.2986 14.2986 14.3296 14.3296 14.5039 14.5039 14.5861 14.5861 k = 0.5000 0.2887 0.1761 ( 5538 PWs) bands (ev): -44.2593 -44.2593 -44.2481 -44.2481 -21.0256 -21.0256 -21.0081 -21.0081 -20.4076 -20.4076 -20.3967 -20.3967 -20.3532 -20.3532 -20.2757 -20.2757 -1.1941 -1.1941 -1.0902 -1.0902 5.8789 5.8789 6.5625 6.5625 8.3897 8.3897 8.4518 8.4518 8.8854 8.8854 9.4823 9.4823 11.5476 11.5476 12.5918 12.5918 14.2877 14.2877 14.3013 14.3013 14.4965 14.4965 14.5625 14.5625 k = 0.5000 0.2887 0.1651 ( 5538 PWs) bands (ev): -44.2598 -44.2598 -44.2476 -44.2476 -21.0266 -21.0266 -21.0076 -21.0076 -20.4083 -20.4083 -20.3971 -20.3971 -20.3554 -20.3554 -20.2718 -20.2718 -1.1989 -1.1989 -1.0861 -1.0861 5.8617 5.8617 6.6137 6.6137 8.3700 8.3700 8.4264 8.4264 8.8622 8.8622 9.5121 9.5121 11.4988 11.4988 12.6270 12.6270 14.2546 14.2546 14.2888 14.2888 14.4893 14.4893 14.5482 14.5482 k = 0.5000 0.2887 0.1541 ( 5546 PWs) bands (ev): -44.2603 -44.2603 -44.2471 -44.2471 -21.0275 -21.0275 -21.0071 -21.0071 -20.4090 -20.4090 -20.3976 -20.3976 -20.3573 -20.3573 -20.2681 -20.2681 -1.2036 -1.2036 -1.0823 -1.0823 5.8460 5.8460 6.6662 6.6662 8.3492 8.3492 8.3991 8.3991 8.8400 8.8400 9.5411 9.5411 11.4521 11.4521 12.6595 12.6595 14.2122 14.2122 14.2821 14.2821 14.4825 14.4825 14.5403 14.5403 k = 0.5000 0.2887 0.1430 ( 5548 PWs) bands (ev): -44.2607 -44.2607 -44.2467 -44.2467 -21.0285 -21.0285 -21.0067 -21.0067 -20.4097 -20.4097 -20.3982 -20.3982 -20.3589 -20.3589 -20.2645 -20.2645 -1.2080 -1.2080 -1.0787 -1.0787 5.8316 5.8316 6.7199 6.7199 8.3263 8.3263 8.3711 8.3711 8.8191 8.8191 9.5690 9.5690 11.4079 11.4079 12.6893 12.6893 14.1679 14.1679 14.2762 14.2762 14.4760 14.4760 14.5365 14.5365 k = 0.5000 0.2887 0.1320 ( 5544 PWs) bands (ev): -44.2611 -44.2611 -44.2463 -44.2463 -21.0294 -21.0294 -21.0063 -21.0063 -20.4104 -20.4104 -20.3989 -20.3989 -20.3603 -20.3603 -20.2612 -20.2612 -1.2122 -1.2122 -1.0753 -1.0753 5.8185 5.8185 6.7745 6.7745 8.2992 8.2992 8.3449 8.3449 8.7994 8.7994 9.5957 9.5957 11.3662 11.3662 12.7165 12.7165 14.1240 14.1240 14.2708 14.2708 14.4698 14.4698 14.5353 14.5353 k = 0.5000 0.2887 0.1210 ( 5544 PWs) bands (ev): -44.2615 -44.2615 -44.2459 -44.2459 -21.0302 -21.0302 -21.0059 -21.0059 -20.4110 -20.4110 -20.3997 -20.3997 -20.3615 -20.3615 -20.2581 -20.2581 -1.2161 -1.2161 -1.0722 -1.0722 5.8066 5.8066 6.8298 6.8298 8.2664 8.2664 8.3226 8.3226 8.7810 8.7810 9.6210 9.6210 11.3273 11.3273 12.7412 12.7412 14.0815 14.0815 14.2658 14.2658 14.4640 14.4640 14.5356 14.5356 k = 0.5000 0.2887 0.1100 ( 5540 PWs) bands (ev): -44.2619 -44.2619 -44.2455 -44.2455 -21.0310 -21.0310 -21.0056 -21.0056 -20.4116 -20.4116 -20.4005 -20.4005 -20.3624 -20.3624 -20.2551 -20.2551 -1.2198 -1.2198 -1.0693 -1.0693 5.7960 5.7960 6.8857 6.8857 8.2286 8.2286 8.3038 8.3038 8.7641 8.7641 9.6448 9.6448 11.2913 11.2913 12.7636 12.7636 14.0412 14.0412 14.2611 14.2611 14.4586 14.4586 14.5368 14.5368 k = 0.5000 0.2887 0.0990 ( 5544 PWs) bands (ev): -44.2622 -44.2622 -44.2452 -44.2452 -21.0318 -21.0318 -21.0053 -21.0053 -20.4121 -20.4121 -20.4014 -20.4014 -20.3631 -20.3631 -20.2524 -20.2524 -1.2232 -1.2232 -1.0667 -1.0667 5.7865 5.7865 6.9419 6.9419 8.1872 8.1872 8.2875 8.2875 8.7486 8.7486 9.6669 9.6669 11.2583 11.2583 12.7835 12.7835 14.0038 14.0038 14.2568 14.2568 14.4536 14.4536 14.5386 14.5386 k = 0.5000 0.2887 0.0880 ( 5546 PWs) bands (ev): -44.2625 -44.2625 -44.2449 -44.2449 -21.0325 -21.0325 -21.0050 -21.0050 -20.4126 -20.4126 -20.4023 -20.4023 -20.3637 -20.3637 -20.2500 -20.2500 -1.2262 -1.2262 -1.0643 -1.0643 5.7781 5.7781 6.9978 6.9978 8.1434 8.1434 8.2733 8.2733 8.7347 8.7347 9.6871 9.6871 11.2285 11.2285 12.8013 12.8013 13.9695 13.9695 14.2530 14.2530 14.4491 14.4491 14.5405 14.5405 k = 0.5000 0.2887 0.0770 ( 5554 PWs) bands (ev): -44.2627 -44.2627 -44.2447 -44.2447 -21.0331 -21.0331 -21.0048 -21.0048 -20.4130 -20.4130 -20.4031 -20.4031 -20.3641 -20.3641 -20.2478 -20.2478 -1.2290 -1.2290 -1.0622 -1.0622 5.7708 5.7708 7.0530 7.0530 8.0983 8.0983 8.2608 8.2608 8.7223 8.7223 9.7054 9.7054 11.2019 11.2019 12.8168 12.8168 13.9386 13.9386 14.2496 14.2496 14.4450 14.4450 14.5425 14.5425 k = 0.5000 0.2887 0.0660 ( 5556 PWs) bands (ev): -44.2630 -44.2630 -44.2444 -44.2444 -21.0336 -21.0336 -21.0046 -21.0046 -20.4134 -20.4134 -20.4039 -20.4039 -20.3645 -20.3645 -20.2459 -20.2459 -1.2314 -1.2314 -1.0604 -1.0604 5.7646 5.7646 7.1068 7.1068 8.0528 8.0528 8.2499 8.2499 8.7115 8.7115 9.7215 9.7215 11.1787 11.1787 12.8302 12.8302 13.9114 13.9114 14.2466 14.2466 14.4415 14.4415 14.5445 14.5445 k = 0.5000 0.2887 0.0550 ( 5550 PWs) bands (ev): -44.2632 -44.2632 -44.2442 -44.2442 -21.0341 -21.0341 -21.0044 -21.0044 -20.4137 -20.4137 -20.4045 -20.4045 -20.3647 -20.3647 -20.2442 -20.2442 -1.2334 -1.2334 -1.0589 -1.0589 5.7594 5.7594 7.1582 7.1582 8.0082 8.0082 8.2406 8.2406 8.7023 8.7023 9.7353 9.7353 11.1589 11.1589 12.8414 12.8414 13.8882 13.8882 14.2440 14.2440 14.4384 14.4384 14.5462 14.5462 k = 0.5000 0.2887 0.0440 ( 5554 PWs) bands (ev): -44.2633 -44.2633 -44.2441 -44.2441 -21.0345 -21.0345 -21.0043 -21.0043 -20.4140 -20.4140 -20.4051 -20.4051 -20.3649 -20.3649 -20.2429 -20.2429 -1.2351 -1.2351 -1.0576 -1.0576 5.7552 5.7552 7.2058 7.2058 7.9660 7.9660 8.2330 8.2330 8.6948 8.6948 9.7468 9.7468 11.1426 11.1426 12.8506 12.8506 13.8689 13.8689 14.2419 14.2419 14.4359 14.4359 14.5477 14.5477 k = 0.5000 0.2887 0.0330 ( 5558 PWs) bands (ev): -44.2634 -44.2634 -44.2439 -44.2439 -21.0348 -21.0348 -21.0042 -21.0042 -20.4142 -20.4142 -20.4056 -20.4056 -20.3650 -20.3650 -20.2418 -20.2418 -1.2364 -1.2364 -1.0566 -1.0566 5.7519 5.7519 7.2476 7.2476 7.9282 7.9282 8.2270 8.2270 8.6889 8.6889 9.7559 9.7559 11.1299 11.1299 12.8577 12.8577 13.8538 13.8538 14.2403 14.2403 14.4339 14.4339 14.5490 14.5490 k = 0.5000 0.2887 0.0220 ( 5554 PWs) bands (ev): -44.2635 -44.2635 -44.2438 -44.2438 -21.0350 -21.0350 -21.0041 -21.0041 -20.4144 -20.4144 -20.4059 -20.4059 -20.3651 -20.3651 -20.2411 -20.2411 -1.2374 -1.2374 -1.0559 -1.0559 5.7496 5.7496 7.2811 7.2811 7.8976 7.8976 8.2227 8.2227 8.6847 8.6847 9.7624 9.7624 11.1207 11.1207 12.8628 12.8628 13.8430 13.8430 14.2391 14.2391 14.4325 14.4325 14.5499 14.5499 k = 0.5000 0.2887 0.0110 ( 5570 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0351 -21.0351 -21.0041 -21.0041 -20.4145 -20.4145 -20.4061 -20.4061 -20.3652 -20.3652 -20.2406 -20.2406 -1.2380 -1.2380 -1.0555 -1.0555 5.7482 5.7482 7.3031 7.3031 7.8772 7.8772 8.2201 8.2201 8.6822 8.6822 9.7663 9.7663 11.1153 11.1153 12.8659 12.8659 13.8364 13.8364 14.2384 14.2384 14.4316 14.4316 14.5504 14.5504 k = 0.5000 0.2887-0.0000 ( 5570 PWs) bands (ev): -44.2636 -44.2636 -44.2438 -44.2438 -21.0352 -21.0352 -21.0040 -21.0040 -20.4145 -20.4145 -20.4062 -20.4062 -20.3652 -20.3652 -20.2405 -20.2405 -1.2381 -1.2381 -1.0553 -1.0553 5.7477 5.7477 7.3108 7.3108 7.8701 7.8701 8.2193 8.2193 8.6814 8.6814 9.7676 9.7676 11.1134 11.1134 12.8669 12.8669 13.8343 13.8343 14.2381 14.2381 14.4313 14.4313 14.5506 14.5506 k = 0.3333 0.5774-0.0000 ( 5550 PWs) bands (ev): -44.2627 -44.2627 -44.2429 -44.2429 -21.0370 -21.0370 -21.0076 -21.0076 -20.4218 -20.4218 -20.3935 -20.3935 -20.3858 -20.3858 -20.2428 -20.2428 -1.0188 -1.0188 -1.0115 -1.0115 6.5842 6.5842 6.9610 6.9610 7.1150 7.1150 8.1645 8.1645 8.1984 8.1984 8.6280 8.6280 13.3047 13.3047 13.5018 13.5018 13.5081 13.5081 13.6271 13.6271 13.6762 13.6762 14.6178 14.6178 k = 0.3333 0.5774 0.0110 ( 5547 PWs) bands (ev): -44.2626 -44.2626 -44.2429 -44.2429 -21.0369 -21.0369 -21.0076 -21.0076 -20.4218 -20.4218 -20.3934 -20.3934 -20.3858 -20.3858 -20.2430 -20.2430 -1.0188 -1.0188 -1.0115 -1.0115 6.5856 6.5856 6.9602 6.9602 7.1141 7.1141 8.1657 8.1657 8.1995 8.1995 8.6257 8.6257 13.3057 13.3057 13.4930 13.4930 13.4960 13.4960 13.6393 13.6393 13.6851 13.6851 14.6168 14.6168 k = 0.3333 0.5774 0.0220 ( 5559 PWs) bands (ev): -44.2626 -44.2626 -44.2430 -44.2430 -21.0368 -21.0368 -21.0077 -21.0077 -20.4217 -20.4217 -20.3930 -20.3930 -20.3859 -20.3859 -20.2435 -20.2435 -1.0188 -1.0188 -1.0114 -1.0114 6.5900 6.5900 6.9581 6.9581 7.1113 7.1113 8.1694 8.1694 8.2027 8.2027 8.6187 8.6187 13.3088 13.3088 13.4683 13.4683 13.4704 13.4704 13.6673 13.6673 13.7081 13.7081 14.6139 14.6139 k = 0.3333 0.5774 0.0330 ( 5559 PWs) bands (ev): -44.2625 -44.2625 -44.2431 -44.2431 -21.0366 -21.0366 -21.0077 -21.0077 -20.4215 -20.4215 -20.3924 -20.3924 -20.3861 -20.3861 -20.2442 -20.2442 -1.0188 -1.0188 -1.0114 -1.0114 6.5973 6.5973 6.9546 6.9546 7.1068 7.1068 8.1754 8.1754 8.2080 8.2080 8.6071 8.6071 13.3137 13.3137 13.4346 13.4346 13.4406 13.4406 13.7015 13.7015 13.7387 13.7387 14.6090 14.6090 k = 0.3333 0.5774 0.0440 ( 5556 PWs) bands (ev): -44.2624 -44.2624 -44.2432 -44.2432 -21.0363 -21.0363 -21.0078 -21.0078 -20.4213 -20.4213 -20.3916 -20.3916 -20.3863 -20.3863 -20.2453 -20.2453 -1.0187 -1.0187 -1.0113 -1.0113 6.6074 6.6074 6.9498 6.9498 7.1006 7.1006 8.1835 8.1835 8.2153 8.2153 8.5912 8.5912 13.3201 13.3201 13.3985 13.3985 13.4078 13.4078 13.7382 13.7382 13.7732 13.7732 14.6021 14.6021 k = 0.3333 0.5774 0.0550 ( 5556 PWs) bands (ev): -44.2622 -44.2622 -44.2433 -44.2433 -21.0360 -21.0360 -21.0079 -21.0079 -20.4210 -20.4210 -20.3905 -20.3905 -20.3866 -20.3866 -20.2466 -20.2466 -1.0186 -1.0186 -1.0113 -1.0113 6.6205 6.6205 6.9438 6.9438 7.0929 7.0929 8.1934 8.1934 8.2244 8.2244 8.5710 8.5710 13.3262 13.3262 13.3617 13.3617 13.3756 13.3756 13.7762 13.7762 13.8097 13.8097 14.5931 14.5931 k = 0.3333 0.5774 0.0660 ( 5562 PWs) bands (ev): -44.2620 -44.2620 -44.2435 -44.2435 -21.0355 -21.0355 -21.0081 -21.0081 -20.4207 -20.4207 -20.3892 -20.3892 -20.3869 -20.3869 -20.2483 -20.2483 -1.0185 -1.0185 -1.0112 -1.0112 6.6364 6.6364 6.9368 6.9368 7.0840 7.0840 8.2047 8.2047 8.2352 8.2352 8.5470 8.5470 13.3196 13.3196 13.3246 13.3246 13.3575 13.3575 13.8148 13.8148 13.8474 13.8474 14.5819 14.5819 k = 0.3333 0.5774 0.0770 ( 5556 PWs) bands (ev): -44.2618 -44.2618 -44.2438 -44.2438 -21.0350 -21.0350 -21.0083 -21.0083 -20.4203 -20.4203 -20.3877 -20.3877 -20.3873 -20.3873 -20.2502 -20.2502 -1.0184 -1.0184 -1.0111 -1.0111 6.6550 6.6550 6.9288 6.9288 7.0740 7.0740 8.2170 8.2170 8.2475 8.2475 8.5197 8.5197 13.2876 13.2876 13.2903 13.2903 13.3639 13.3639 13.8538 13.8538 13.8858 13.8858 14.5684 14.5684 k = 0.3333 0.5774 0.0880 ( 5556 PWs) bands (ev): -44.2615 -44.2615 -44.2440 -44.2440 -21.0344 -21.0344 -21.0085 -21.0085 -20.4198 -20.4198 -20.3878 -20.3878 -20.3860 -20.3860 -20.2525 -20.2525 -1.0183 -1.0183 -1.0110 -1.0110 6.6765 6.6765 6.9201 6.9201 7.0632 7.0632 8.2294 8.2294 8.2610 8.2610 8.4896 8.4896 13.2511 13.2511 13.2556 13.2556 13.3779 13.3779 13.8930 13.8930 13.9247 13.9247 14.5525 14.5525 k = 0.3333 0.5774 0.0990 ( 5556 PWs) bands (ev): -44.2612 -44.2612 -44.2443 -44.2443 -21.0338 -21.0338 -21.0087 -21.0087 -20.4193 -20.4193 -20.3883 -20.3883 -20.3840 -20.3840 -20.2549 -20.2549 -1.0182 -1.0182 -1.0108 -1.0108 6.7006 6.7006 6.9108 6.9108 7.0517 7.0517 8.2407 8.2407 8.2756 8.2756 8.4582 8.4582 13.2152 13.2152 13.2202 13.2202 13.3952 13.3952 13.9325 13.9325 13.9639 13.9639 14.5343 14.5343 k = 0.3333 0.5774 0.1100 ( 5550 PWs) bands (ev): -44.2609 -44.2609 -44.2447 -44.2447 -21.0331 -21.0331 -21.0090 -21.0090 -20.4187 -20.4187 -20.3889 -20.3889 -20.3818 -20.3818 -20.2576 -20.2576 -1.0181 -1.0181 -1.0107 -1.0107 6.7273 6.7273 6.9011 6.9011 7.0399 7.0399 8.2486 8.2486 8.2909 8.2909 8.4276 8.4276 13.1802 13.1802 13.1852 13.1852 13.4147 13.4147 13.9721 13.9721 14.0034 14.0034 14.5137 14.5137 k = 0.3333 0.5774 0.1210 ( 5544 PWs) bands (ev): -44.2606 -44.2606 -44.2450 -44.2450 -21.0323 -21.0323 -21.0093 -21.0093 -20.4181 -20.4181 -20.3896 -20.3896 -20.3794 -20.3794 -20.2606 -20.2606 -1.0179 -1.0179 -1.0106 -1.0106 6.7565 6.7565 6.8912 6.8912 7.0279 7.0279 8.2487 8.2487 8.3068 8.3068 8.4021 8.4021 13.1461 13.1461 13.1509 13.1509 13.4364 13.4364 14.0118 14.0118 14.0430 14.0430 14.4908 14.4908 k = 0.3333 0.5774 0.1320 ( 5544 PWs) bands (ev): -44.2602 -44.2602 -44.2454 -44.2454 -21.0315 -21.0315 -21.0096 -21.0096 -20.4174 -20.4174 -20.3903 -20.3903 -20.3768 -20.3768 -20.2638 -20.2638 -1.0178 -1.0178 -1.0104 -1.0104 6.7882 6.7882 6.8811 6.8811 7.0161 7.0161 8.2353 8.2353 8.3231 8.3231 8.3876 8.3876 13.1132 13.1132 13.1176 13.1176 13.4601 13.4601 14.0517 14.0517 14.0828 14.0828 14.4655 14.4655 k = 0.3333 0.5774 0.1430 ( 5541 PWs) bands (ev): -44.2598 -44.2598 -44.2458 -44.2458 -21.0307 -21.0307 -21.0100 -21.0100 -20.4166 -20.4166 -20.3910 -20.3910 -20.3739 -20.3739 -20.2672 -20.2672 -1.0176 -1.0176 -1.0103 -1.0103 6.8219 6.8219 6.8711 6.8711 7.0047 7.0047 8.2066 8.2066 8.3394 8.3394 8.3858 8.3858 13.0816 13.0816 13.0856 13.0856 13.4856 13.4856 14.0916 14.0916 14.1227 14.1227 14.4379 14.4379 k = 0.3333 0.5774 0.1541 ( 5547 PWs) bands (ev): -44.2593 -44.2593 -44.2462 -44.2462 -21.0298 -21.0298 -21.0104 -21.0104 -20.4159 -20.4159 -20.3918 -20.3918 -20.3709 -20.3709 -20.2708 -20.2708 -1.0175 -1.0175 -1.0101 -1.0101 6.8575 6.8575 6.8613 6.8613 6.9943 6.9943 8.1666 8.1666 8.3556 8.3556 8.3928 8.3928 13.0515 13.0515 13.0550 13.0550 13.5129 13.5129 14.1316 14.1316 14.1627 14.1627 14.4082 14.4082 k = 0.3333 0.5774 0.1651 ( 5556 PWs) bands (ev): -44.2589 -44.2589 -44.2467 -44.2467 -21.0289 -21.0289 -21.0109 -21.0109 -20.4150 -20.4150 -20.3926 -20.3926 -20.3677 -20.3677 -20.2746 -20.2746 -1.0174 -1.0174 -1.0100 -1.0100 6.8518 6.8518 6.8936 6.8936 6.9860 6.9860 8.1197 8.1197 8.3714 8.3714 8.4043 8.4043 13.0231 13.0231 13.0261 13.0261 13.5420 13.5420 14.1717 14.1717 14.2028 14.2028 14.3765 14.3765 k = 0.3333 0.5774 0.1761 ( 5550 PWs) bands (ev): -44.2584 -44.2584 -44.2472 -44.2472 -21.0279 -21.0279 -21.0113 -21.0113 -20.4142 -20.4142 -20.3935 -20.3935 -20.3643 -20.3643 -20.2785 -20.2785 -1.0172 -1.0172 -1.0099 -1.0099 6.8428 6.8428 6.9258 6.9258 6.9844 6.9844 8.0686 8.0686 8.3866 8.3866 8.4176 8.4176 12.9966 12.9966 12.9990 12.9990 13.5727 13.5727 14.2118 14.2118 14.2429 14.2429 14.3429 14.3429 k = 0.3333 0.5774 0.1871 ( 5550 PWs) bands (ev): -44.2579 -44.2579 -44.2477 -44.2477 -21.0270 -21.0270 -21.0119 -21.0119 -20.4133 -20.4133 -20.3943 -20.3943 -20.3608 -20.3608 -20.2826 -20.2826 -1.0171 -1.0171 -1.0097 -1.0097 6.8343 6.8343 6.9404 6.9404 7.0031 7.0031 8.0148 8.0148 8.4010 8.4010 8.4314 8.4314 12.9720 12.9720 12.9738 12.9738 13.6049 13.6049 14.2520 14.2520 14.2829 14.2829 14.3077 14.3077 k = 0.3333 0.5774 0.1981 ( 5562 PWs) bands (ev): -44.2574 -44.2574 -44.2482 -44.2482 -21.0260 -21.0260 -21.0124 -21.0124 -20.4124 -20.4124 -20.3953 -20.3953 -20.3571 -20.3571 -20.2868 -20.2868 -1.0170 -1.0170 -1.0096 -1.0096 6.8264 6.8264 6.9388 6.9388 7.0408 7.0408 7.9591 7.9591 8.4144 8.4144 8.4449 8.4449 12.9496 12.9496 12.9509 12.9509 13.6386 13.6386 14.2709 14.2709 14.2921 14.2921 14.3230 14.3230 k = 0.3333 0.5774 0.2091 ( 5562 PWs) bands (ev): -44.2568 -44.2568 -44.2487 -44.2487 -21.0251 -21.0251 -21.0130 -21.0130 -20.4114 -20.4114 -20.3962 -20.3962 -20.3532 -20.3532 -20.2912 -20.2912 -1.0168 -1.0168 -1.0095 -1.0095 6.8192 6.8192 6.9331 6.9331 7.0851 7.0851 7.9021 7.9021 8.4268 8.4268 8.4576 8.4576 12.9294 12.9294 12.9302 12.9302 13.6737 13.6737 14.2329 14.2329 14.3322 14.3322 14.3630 14.3630 k = 0.3333 0.5774 0.2201 ( 5556 PWs) bands (ev): -44.2563 -44.2563 -44.2493 -44.2493 -21.0241 -21.0241 -21.0136 -21.0136 -20.4105 -20.4105 -20.3972 -20.3972 -20.3492 -20.3492 -20.2956 -20.2956 -1.0167 -1.0167 -1.0094 -1.0094 6.8129 6.8129 6.9269 6.9269 7.1324 7.1324 7.8445 7.8445 8.4378 8.4378 8.4691 8.4691 12.9117 12.9117 12.9120 12.9120 13.7100 13.7100 14.1938 14.1938 14.3722 14.3722 14.4028 14.4028 k = 0.3333 0.5774 0.2311 ( 5565 PWs) bands (ev): -44.2557 -44.2557 -44.2499 -44.2499 -21.0232 -21.0232 -21.0143 -21.0143 -20.4095 -20.4095 -20.3982 -20.3982 -20.3451 -20.3451 -20.3001 -20.3001 -1.0167 -1.0167 -1.0093 -1.0093 6.8074 6.8074 6.9212 6.9212 7.1814 7.1814 7.7869 7.7869 8.4473 8.4473 8.4793 8.4793 12.8964 12.8964 12.8964 12.8964 13.7475 13.7475 14.1538 14.1538 14.4121 14.4121 14.4425 14.4425 k = 0.3333 0.5774 0.2421 ( 5565 PWs) bands (ev): -44.2552 -44.2552 -44.2504 -44.2504 -21.0223 -21.0223 -21.0149 -21.0149 -20.4085 -20.4085 -20.3991 -20.3991 -20.3408 -20.3408 -20.3046 -20.3046 -1.0166 -1.0166 -1.0092 -1.0092 6.8029 6.8029 6.9163 6.9163 7.2313 7.2313 7.7298 7.7298 8.4553 8.4553 8.4878 8.4878 12.8835 12.8835 12.8838 12.8838 13.7859 13.7859 14.1131 14.1131 14.4518 14.4518 14.4819 14.4819 k = 0.3333 0.5774 0.2531 ( 5568 PWs) bands (ev): -44.2546 -44.2546 -44.2510 -44.2510 -21.0214 -21.0214 -21.0156 -21.0156 -20.4076 -20.4076 -20.4001 -20.4001 -20.3365 -20.3365 -20.3092 -20.3092 -1.0165 -1.0165 -1.0092 -1.0092 6.7993 6.7993 6.9124 6.9124 7.2810 7.2810 7.6745 7.6745 8.4616 8.4616 8.4946 8.4946 12.8733 12.8733 12.8739 12.8739 13.8253 13.8253 14.0720 14.0720 14.4913 14.4913 14.5208 14.5208 k = 0.3333 0.5774 0.2641 ( 5568 PWs) bands (ev): -44.2540 -44.2540 -44.2516 -44.2516 -21.0206 -21.0206 -21.0163 -21.0163 -20.4067 -20.4067 -20.4009 -20.4009 -20.3320 -20.3320 -20.3138 -20.3138 -1.0165 -1.0165 -1.0091 -1.0091 6.7967 6.7967 6.9095 6.9095 7.3283 7.3283 7.6232 7.6232 8.4662 8.4662 8.4995 8.4995 12.8660 12.8660 12.8668 12.8668 13.8653 13.8653 14.0307 14.0307 14.5306 14.5306 14.5591 14.5591 k = 0.3333 0.5774 0.2751 ( 5562 PWs) bands (ev): -44.2534 -44.2534 -44.2522 -44.2522 -21.0200 -21.0200 -21.0168 -21.0168 -20.4061 -20.4061 -20.4016 -20.4016 -20.3276 -20.3276 -20.3184 -20.3184 -1.0165 -1.0165 -1.0091 -1.0091 6.7952 6.7952 6.9078 6.9078 7.3674 7.3674 7.5817 7.5817 8.4690 8.4690 8.5025 8.5025 12.8616 12.8616 12.8625 12.8625 13.9057 13.9057 13.9894 13.9894 14.5694 14.5694 14.5954 14.5954 k = 0.3333 0.5774 0.2861 ( 5574 PWs) bands (ev): -44.2528 -44.2528 -44.2528 -44.2528 -21.0197 -21.0197 -21.0171 -21.0171 -20.4058 -20.4058 -20.4019 -20.4019 -20.3234 -20.3234 -20.3226 -20.3226 -1.0164 -1.0164 -1.0091 -1.0091 6.7946 6.7946 6.9072 6.9072 7.3845 7.3845 7.5638 7.5638 8.4699 8.4699 8.5035 8.5035 12.8601 12.8601 12.8611 12.8611 13.9407 13.9407 13.9541 13.9541 14.6036 14.6036 14.6132 14.6132 Writing output data file TiSe.save init_run : 0.67s CPU 0.81s WALL ( 1 calls) electrons : 197.90s CPU 201.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 197.89s CPU 201.11s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 367 calls) cegterg : 188.36s CPU 190.89s WALL ( 698 calls) Called by sum_band: Called by *egterg: h_psi : 108.46s CPU 110.54s WALL ( 11583 calls) s_psi : 2.55s CPU 2.70s WALL ( 11583 calls) g_psi : 0.45s CPU 0.44s WALL ( 10518 calls) cdiaghg : 58.06s CPU 58.71s WALL ( 10885 calls) cegterg:over : 9.04s CPU 9.11s WALL ( 10518 calls) cegterg:upda : 8.04s CPU 7.96s WALL ( 10518 calls) cegterg:last : 5.00s CPU 5.06s WALL ( 2166 calls) cdiaghg:chol : 3.45s CPU 3.31s WALL ( 10885 calls) cdiaghg:inve : 1.88s CPU 1.84s WALL ( 10885 calls) cdiaghg:para : 3.40s CPU 3.42s WALL ( 21770 calls) Called by h_psi: h_psi:vloc : 96.99s CPU 98.58s WALL ( 11583 calls) h_psi:vnl : 11.10s CPU 11.55s WALL ( 11583 calls) add_vuspsi : 5.26s CPU 5.63s WALL ( 11583 calls) General routines calbec : 5.78s CPU 5.89s WALL ( 11583 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 91.98s CPU 93.56s WALL ( 1094812 calls) davcio : 0.24s CPU 0.34s WALL ( 734 calls) Parallel routines fft_scatter : 36.79s CPU 37.05s WALL ( 1094827 calls) PWSCF : 3m35.42s CPU 4m20.04s WALL This run was terminated on: 21:19: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=