Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:17: 3 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: ./Li3N.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 35 35 10 1855 1855 280 Max 36 36 11 1866 1866 287 Sum 1285 1285 367 66965 66965 10115 bravais-lattice index = 14 lattice parameter (alat) = 6.7493 a.u. unit-cell volume = 473.3656 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.749326 celldm(2)= 1.000000 celldm(3)= 1.777808 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 1.777808 ) 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 0.562491 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 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 ) ( -0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( -0.8889038 ) 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 ) ( -0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( -0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( 0.8889038 ) 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 ) ( -0.8889038 ) 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 ) ( -0.8889038 ) 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027473 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027473 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027473 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027473 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0027473 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0027473 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0027473 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0027473 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0027473 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0027473 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0027473 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0027473 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0027473 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0112498), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0224996), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0337494), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0449992), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0562491), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0674989), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0787487), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.0899985), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1012483), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1124981), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1237479), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1349977), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1462475), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1574974), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.1687472), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.1799970), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.1912468), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2024966), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2137464), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2249962), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2362460), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2474958), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2587457), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.2699955), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.2812453), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.2812453), wk = 0.0027473 k( 171) = ( 0.0098039 0.0056603 0.2812453), wk = 0.0027473 k( 172) = ( 0.0196078 0.0113206 0.2812453), wk = 0.0027473 k( 173) = ( 0.0294118 0.0169809 0.2812453), wk = 0.0027473 k( 174) = ( 0.0392157 0.0226412 0.2812453), wk = 0.0027473 k( 175) = ( 0.0490196 0.0283015 0.2812453), wk = 0.0027473 k( 176) = ( 0.0588235 0.0339618 0.2812453), wk = 0.0027473 k( 177) = ( 0.0686275 0.0396221 0.2812453), wk = 0.0027473 k( 178) = ( 0.0784314 0.0452824 0.2812453), wk = 0.0027473 k( 179) = ( 0.0882353 0.0509427 0.2812453), wk = 0.0027473 k( 180) = ( 0.0980392 0.0566030 0.2812453), wk = 0.0027473 k( 181) = ( 0.1078431 0.0622633 0.2812453), wk = 0.0027473 k( 182) = ( 0.1176471 0.0679236 0.2812453), wk = 0.0027473 k( 183) = ( 0.1274510 0.0735839 0.2812453), wk = 0.0027473 k( 184) = ( 0.1372549 0.0792442 0.2812453), wk = 0.0027473 k( 185) = ( 0.1470588 0.0849044 0.2812453), wk = 0.0027473 k( 186) = ( 0.1568627 0.0905648 0.2812453), wk = 0.0027473 k( 187) = ( 0.1666667 0.0962250 0.2812453), wk = 0.0027473 k( 188) = ( 0.1764706 0.1018853 0.2812453), wk = 0.0027473 k( 189) = ( 0.1862745 0.1075456 0.2812453), wk = 0.0027473 k( 190) = ( 0.1960784 0.1132059 0.2812453), wk = 0.0027473 k( 191) = ( 0.2058823 0.1188662 0.2812453), wk = 0.0027473 k( 192) = ( 0.2156863 0.1245265 0.2812453), wk = 0.0027473 k( 193) = ( 0.2254902 0.1301868 0.2812453), wk = 0.0027473 k( 194) = ( 0.2352941 0.1358471 0.2812453), wk = 0.0027473 k( 195) = ( 0.2450980 0.1415074 0.2812453), wk = 0.0027473 k( 196) = ( 0.2549020 0.1471677 0.2812453), wk = 0.0027473 k( 197) = ( 0.2647059 0.1528280 0.2812453), wk = 0.0027473 k( 198) = ( 0.2745098 0.1584883 0.2812453), wk = 0.0027473 k( 199) = ( 0.2843137 0.1641486 0.2812453), wk = 0.0027473 k( 200) = ( 0.2941177 0.1698089 0.2812453), wk = 0.0027473 k( 201) = ( 0.3039216 0.1754692 0.2812453), wk = 0.0027473 k( 202) = ( 0.3137255 0.1811295 0.2812453), wk = 0.0027473 k( 203) = ( 0.3235294 0.1867898 0.2812453), wk = 0.0027473 k( 204) = ( 0.3333333 0.1924501 0.2812453), wk = 0.0027473 k( 205) = ( 0.3431373 0.1981104 0.2812453), wk = 0.0027473 k( 206) = ( 0.3529412 0.2037707 0.2812453), wk = 0.0027473 k( 207) = ( 0.3627451 0.2094310 0.2812453), wk = 0.0027473 k( 208) = ( 0.3725490 0.2150913 0.2812453), wk = 0.0027473 k( 209) = ( 0.3823529 0.2207516 0.2812453), wk = 0.0027473 k( 210) = ( 0.3921569 0.2264119 0.2812453), wk = 0.0027473 k( 211) = ( 0.4019608 0.2320722 0.2812453), wk = 0.0027473 k( 212) = ( 0.4117647 0.2377325 0.2812453), wk = 0.0027473 k( 213) = ( 0.4215686 0.2433928 0.2812453), wk = 0.0027473 k( 214) = ( 0.4313726 0.2490531 0.2812453), wk = 0.0027473 k( 215) = ( 0.4411765 0.2547134 0.2812453), wk = 0.0027473 k( 216) = ( 0.4509804 0.2603736 0.2812453), wk = 0.0027473 k( 217) = ( 0.4607843 0.2660339 0.2812453), wk = 0.0027473 k( 218) = ( 0.4705882 0.2716942 0.2812453), wk = 0.0027473 k( 219) = ( 0.4803922 0.2773545 0.2812453), wk = 0.0027473 k( 220) = ( 0.4901961 0.2830148 0.2812453), wk = 0.0027473 k( 221) = ( 0.5000000 0.2886751 0.2812453), wk = 0.0027473 k( 222) = ( 0.5000000 0.2886751 0.2812453), wk = 0.0027473 k( 223) = ( 0.4944444 0.2982976 0.2812453), wk = 0.0027473 k( 224) = ( 0.4888889 0.3079201 0.2812453), wk = 0.0027473 k( 225) = ( 0.4833333 0.3175426 0.2812453), wk = 0.0027473 k( 226) = ( 0.4777778 0.3271651 0.2812453), wk = 0.0027473 k( 227) = ( 0.4722222 0.3367877 0.2812453), wk = 0.0027473 k( 228) = ( 0.4666667 0.3464102 0.2812453), wk = 0.0027473 k( 229) = ( 0.4611111 0.3560327 0.2812453), wk = 0.0027473 k( 230) = ( 0.4555556 0.3656552 0.2812453), wk = 0.0027473 k( 231) = ( 0.4500000 0.3752777 0.2812453), wk = 0.0027473 k( 232) = ( 0.4444444 0.3849002 0.2812453), wk = 0.0027473 k( 233) = ( 0.4388889 0.3945227 0.2812453), wk = 0.0027473 k( 234) = ( 0.4333333 0.4041452 0.2812453), wk = 0.0027473 k( 235) = ( 0.4277778 0.4137677 0.2812453), wk = 0.0027473 k( 236) = ( 0.4222222 0.4233902 0.2812453), wk = 0.0027473 k( 237) = ( 0.4166667 0.4330127 0.2812453), wk = 0.0027473 k( 238) = ( 0.4111111 0.4426352 0.2812453), wk = 0.0027473 k( 239) = ( 0.4055556 0.4522577 0.2812453), wk = 0.0027473 k( 240) = ( 0.4000000 0.4618802 0.2812453), wk = 0.0027473 k( 241) = ( 0.3944444 0.4715027 0.2812453), wk = 0.0027473 k( 242) = ( 0.3888889 0.4811252 0.2812453), wk = 0.0027473 k( 243) = ( 0.3833333 0.4907477 0.2812453), wk = 0.0027473 k( 244) = ( 0.3777778 0.5003702 0.2812453), wk = 0.0027473 k( 245) = ( 0.3722222 0.5099927 0.2812453), wk = 0.0027473 k( 246) = ( 0.3666667 0.5196152 0.2812453), wk = 0.0027473 k( 247) = ( 0.3611111 0.5292377 0.2812453), wk = 0.0027473 k( 248) = ( 0.3555556 0.5388603 0.2812453), wk = 0.0027473 k( 249) = ( 0.3500000 0.5484828 0.2812453), wk = 0.0027473 k( 250) = ( 0.3444444 0.5581053 0.2812453), wk = 0.0027473 k( 251) = ( 0.3388889 0.5677278 0.2812453), wk = 0.0027473 k( 252) = ( 0.3333333 0.5773503 0.2812453), wk = 0.0027473 k( 253) = ( 0.3333333 0.5773503 0.2812453), wk = 0.0027473 k( 254) = ( 0.3276836 0.5675647 0.2812453), wk = 0.0027473 k( 255) = ( 0.3220339 0.5577791 0.2812453), wk = 0.0027473 k( 256) = ( 0.3163842 0.5479935 0.2812453), wk = 0.0027473 k( 257) = ( 0.3107345 0.5382079 0.2812453), wk = 0.0027473 k( 258) = ( 0.3050848 0.5284223 0.2812453), wk = 0.0027473 k( 259) = ( 0.2994350 0.5186367 0.2812453), wk = 0.0027473 k( 260) = ( 0.2937853 0.5088511 0.2812453), wk = 0.0027473 k( 261) = ( 0.2881356 0.4990655 0.2812453), wk = 0.0027473 k( 262) = ( 0.2824859 0.4892799 0.2812453), wk = 0.0027473 k( 263) = ( 0.2768362 0.4794943 0.2812453), wk = 0.0027473 k( 264) = ( 0.2711864 0.4697087 0.2812453), wk = 0.0027473 k( 265) = ( 0.2655367 0.4599231 0.2812453), wk = 0.0027473 k( 266) = ( 0.2598870 0.4501375 0.2812453), wk = 0.0027473 k( 267) = ( 0.2542373 0.4403519 0.2812453), wk = 0.0027473 k( 268) = ( 0.2485876 0.4305663 0.2812453), wk = 0.0027473 k( 269) = ( 0.2429379 0.4207807 0.2812453), wk = 0.0027473 k( 270) = ( 0.2372881 0.4109951 0.2812453), wk = 0.0027473 k( 271) = ( 0.2316384 0.4012095 0.2812453), wk = 0.0027473 k( 272) = ( 0.2259887 0.3914239 0.2812453), wk = 0.0027473 k( 273) = ( 0.2203390 0.3816383 0.2812453), wk = 0.0027473 k( 274) = ( 0.2146893 0.3718527 0.2812453), wk = 0.0027473 k( 275) = ( 0.2090395 0.3620671 0.2812453), wk = 0.0027473 k( 276) = ( 0.2033898 0.3522815 0.2812453), wk = 0.0027473 k( 277) = ( 0.1977401 0.3424959 0.2812453), wk = 0.0027473 k( 278) = ( 0.1920904 0.3327103 0.2812453), wk = 0.0027473 k( 279) = ( 0.1864407 0.3229247 0.2812453), wk = 0.0027473 k( 280) = ( 0.1807910 0.3131391 0.2812453), wk = 0.0027473 k( 281) = ( 0.1751412 0.3033535 0.2812453), wk = 0.0027473 k( 282) = ( 0.1694915 0.2935679 0.2812453), wk = 0.0027473 k( 283) = ( 0.1638418 0.2837823 0.2812453), wk = 0.0027473 k( 284) = ( 0.1581921 0.2739967 0.2812453), wk = 0.0027473 k( 285) = ( 0.1525424 0.2642111 0.2812453), wk = 0.0027473 k( 286) = ( 0.1468927 0.2544256 0.2812453), wk = 0.0027473 k( 287) = ( 0.1412429 0.2446399 0.2812453), wk = 0.0027473 k( 288) = ( 0.1355932 0.2348543 0.2812453), wk = 0.0027473 k( 289) = ( 0.1299435 0.2250687 0.2812453), wk = 0.0027473 k( 290) = ( 0.1242938 0.2152832 0.2812453), wk = 0.0027473 k( 291) = ( 0.1186441 0.2054976 0.2812453), wk = 0.0027473 k( 292) = ( 0.1129943 0.1957120 0.2812453), wk = 0.0027473 k( 293) = ( 0.1073446 0.1859264 0.2812453), wk = 0.0027473 k( 294) = ( 0.1016949 0.1761408 0.2812453), wk = 0.0027473 k( 295) = ( 0.0960452 0.1663552 0.2812453), wk = 0.0027473 k( 296) = ( 0.0903955 0.1565696 0.2812453), wk = 0.0027473 k( 297) = ( 0.0847458 0.1467840 0.2812453), wk = 0.0027473 k( 298) = ( 0.0790961 0.1369984 0.2812453), wk = 0.0027473 k( 299) = ( 0.0734463 0.1272128 0.2812453), wk = 0.0027473 k( 300) = ( 0.0677966 0.1174272 0.2812453), wk = 0.0027473 k( 301) = ( 0.0621469 0.1076416 0.2812453), wk = 0.0027473 k( 302) = ( 0.0564972 0.0978560 0.2812453), wk = 0.0027473 k( 303) = ( 0.0508475 0.0880704 0.2812453), wk = 0.0027473 k( 304) = ( 0.0451977 0.0782848 0.2812453), wk = 0.0027473 k( 305) = ( 0.0395480 0.0684992 0.2812453), wk = 0.0027473 k( 306) = ( 0.0338983 0.0587136 0.2812453), wk = 0.0027473 k( 307) = ( 0.0282486 0.0489280 0.2812453), wk = 0.0027473 k( 308) = ( 0.0225989 0.0391424 0.2812453), wk = 0.0027473 k( 309) = ( 0.0169491 0.0293568 0.2812453), wk = 0.0027473 k( 310) = ( 0.0112994 0.0195712 0.2812453), wk = 0.0027473 k( 311) = ( 0.0056497 0.0097856 0.2812453), wk = 0.0027473 k( 312) = ( 0.0000000 0.0000000 0.2812453), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2812453), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2699955), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2587457), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2474958), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2362460), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2249962), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.2137464), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.2024966), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1912468), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1799970), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1687472), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1574974), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1462475), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1349977), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1237479), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.1124981), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.1012483), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0899985), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0787487), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0674989), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0562491), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0449992), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0337494), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 0.0224996), wk = 0.0027473 k( 337) = ( 0.5000000 0.2886751 0.0112498), wk = 0.0027473 k( 338) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0112498), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0224996), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0337494), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0449992), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0562491), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0674989), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.0787487), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.0899985), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1012483), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1124981), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1237479), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1349977), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1462475), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1574974), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1687472), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.1799970), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.1912468), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2024966), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2137464), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2249962), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2362460), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2474958), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2587457), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2699955), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.2812453), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0098039 -0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0196078 -0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0490196 -0.0000000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0588235 -0.0000000 0.0000000), wk = 0.0027473 k( 8) = ( 0.0686275 -0.0000000 0.0000000), wk = 0.0027473 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0980392 -0.0000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1176471 -0.0000000 0.0000000), wk = 0.0027473 k( 14) = ( 0.1274510 -0.0000000 0.0000000), wk = 0.0027473 k( 15) = ( 0.1372549 -0.0000000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1568627 -0.0000000 0.0000000), wk = 0.0027473 k( 18) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0027473 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1862745 -0.0000000 0.0000000), wk = 0.0027473 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2156863 -0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2254902 -0.0000000 0.0000000), wk = 0.0027473 k( 25) = ( 0.2352941 -0.0000000 0.0000000), wk = 0.0027473 k( 26) = ( 0.2450980 -0.0000000 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2549020 -0.0000000 0.0000000), wk = 0.0027473 k( 28) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0027473 k( 29) = ( 0.2745098 -0.0000000 0.0000000), wk = 0.0027473 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3039216 -0.0000000 0.0000000), wk = 0.0027473 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0027473 k( 35) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0027473 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3627451 -0.0000000 0.0000000), wk = 0.0027473 k( 39) = ( 0.3725490 -0.0000000 0.0000000), wk = 0.0027473 k( 40) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0027473 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4019608 -0.0000000 0.0000000), wk = 0.0027473 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4313726 -0.0000000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4705882 -0.0000000 0.0000000), wk = 0.0027473 k( 50) = ( 0.4803922 -0.0000000 0.0000000), wk = 0.0027473 k( 51) = ( 0.4901961 -0.0000000 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0027473 k( 55) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0027473 k( 56) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0027473 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0027473 k( 61) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0027473 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0027473 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0027473 k( 64) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0027473 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0027473 k( 66) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0027473 k( 70) = ( 0.4055556 0.1888889 -0.0000000), wk = 0.0027473 k( 71) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0027473 k( 73) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0027473 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0027473 k( 75) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0027473 k( 78) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0027473 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3276836 0.3276836 0.0000000), wk = 0.0027473 k( 86) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0027473 k( 87) = ( 0.3163842 0.3163842 0.0000000), wk = 0.0027473 k( 88) = ( 0.3107345 0.3107345 -0.0000000), wk = 0.0027473 k( 89) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0027473 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0027473 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2824859 0.2824859 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2768362 0.2768362 0.0000000), wk = 0.0027473 k( 95) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0027473 k( 96) = ( 0.2655367 0.2655367 0.0000000), wk = 0.0027473 k( 97) = ( 0.2598870 0.2598870 0.0000000), wk = 0.0027473 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0027473 k( 100) = ( 0.2429379 0.2429378 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0027473 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2259887 0.2259887 0.0000000), wk = 0.0027473 k( 104) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0027473 k( 106) = ( 0.2090395 0.2090395 -0.0000000), wk = 0.0027473 k( 107) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0027473 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1920904 0.1920904 0.0000000), wk = 0.0027473 k( 110) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0027473 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1751412 0.1751412 0.0000000), wk = 0.0027473 k( 113) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0027473 k( 114) = ( 0.1638418 0.1638418 0.0000000), wk = 0.0027473 k( 115) = ( 0.1581921 0.1581921 0.0000000), wk = 0.0027473 k( 116) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0027473 k( 118) = ( 0.1412429 0.1412429 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0027473 k( 120) = ( 0.1299435 0.1299435 0.0000000), wk = 0.0027473 k( 121) = ( 0.1242938 0.1242938 0.0000000), wk = 0.0027473 k( 122) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0027473 k( 123) = ( 0.1129943 0.1129944 0.0000000), wk = 0.0027473 k( 124) = ( 0.1073446 0.1073446 0.0000000), wk = 0.0027473 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0027473 k( 126) = ( 0.0960452 0.0960452 0.0000000), wk = 0.0027473 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0790961 0.0790960 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0027473 k( 131) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0027473 k( 132) = ( 0.0621469 0.0621469 0.0000000), wk = 0.0027473 k( 133) = ( 0.0564972 0.0564972 0.0000000), wk = 0.0027473 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0027473 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0027473 k( 137) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0282486 0.0282486 0.0000000), wk = 0.0027473 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0112994 0.0112994 0.0000000), wk = 0.0027473 k( 142) = ( 0.0056497 0.0056497 0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0098039 -0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0196078 -0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0392157 -0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0490196 -0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0784314 -0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.0980392 -0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1078431 -0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1274510 -0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1568627 -0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.1862745 -0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.1960784 -0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2156863 -0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2254902 -0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2450980 -0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2549020 -0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3039216 -0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3431373 -0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3725490 -0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.3921569 -0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4019608 -0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4215686 -0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4313726 -0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4509804 -0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4607843 -0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.4803922 -0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.4901961 -0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 222) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 223) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0027473 k( 224) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0027473 k( 225) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0027473 k( 226) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0027473 k( 227) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0027473 k( 228) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0027473 k( 229) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0027473 k( 230) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0027473 k( 231) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0027473 k( 232) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027473 k( 233) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0027473 k( 234) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0027473 k( 235) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0027473 k( 236) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0027473 k( 237) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027473 k( 238) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0027473 k( 239) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0027473 k( 240) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0027473 k( 241) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0027473 k( 242) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027473 k( 243) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0027473 k( 244) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0027473 k( 245) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0027473 k( 246) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0027473 k( 247) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0027473 k( 248) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0027473 k( 249) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0027473 k( 250) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0027473 k( 251) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0027473 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 254) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0027473 k( 255) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027473 k( 256) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0027473 k( 257) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0027473 k( 258) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027473 k( 259) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0027473 k( 260) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0027473 k( 261) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027473 k( 262) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0027473 k( 263) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0027473 k( 264) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027473 k( 265) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0027473 k( 266) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0027473 k( 267) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027473 k( 268) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0027473 k( 269) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0027473 k( 270) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027473 k( 271) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0027473 k( 272) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0027473 k( 273) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027473 k( 274) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0027473 k( 275) = ( 0.2090395 0.2090395 0.5000000), wk = 0.0027473 k( 276) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027473 k( 277) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0027473 k( 278) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0027473 k( 279) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027473 k( 280) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0027473 k( 281) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0027473 k( 282) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027473 k( 283) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0027473 k( 284) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0027473 k( 285) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027473 k( 286) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0027473 k( 287) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0027473 k( 288) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027473 k( 289) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0027473 k( 290) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0027473 k( 291) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027473 k( 292) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0027473 k( 293) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0027473 k( 294) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027473 k( 295) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0027473 k( 296) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0027473 k( 297) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027473 k( 298) = ( 0.0790961 0.0790960 0.5000000), wk = 0.0027473 k( 299) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0027473 k( 300) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027473 k( 301) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0027473 k( 302) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0027473 k( 303) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027473 k( 304) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0027473 k( 305) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0027473 k( 306) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027473 k( 307) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0027473 k( 308) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0027473 k( 309) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027473 k( 310) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0027473 k( 311) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0027473 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 313) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027473 k( 314) = ( 0.5000000 -0.0000000 0.4800000), wk = 0.0027473 k( 315) = ( 0.5000000 -0.0000000 0.4600000), wk = 0.0027473 k( 316) = ( 0.5000000 -0.0000000 0.4400000), wk = 0.0027473 k( 317) = ( 0.5000000 -0.0000000 0.4200000), wk = 0.0027473 k( 318) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0027473 k( 319) = ( 0.5000000 -0.0000000 0.3800000), wk = 0.0027473 k( 320) = ( 0.5000000 -0.0000000 0.3600000), wk = 0.0027473 k( 321) = ( 0.5000000 -0.0000000 0.3400000), wk = 0.0027473 k( 322) = ( 0.5000000 -0.0000000 0.3200000), wk = 0.0027473 k( 323) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0027473 k( 324) = ( 0.5000000 -0.0000000 0.2800000), wk = 0.0027473 k( 325) = ( 0.5000000 -0.0000000 0.2600000), wk = 0.0027473 k( 326) = ( 0.5000000 -0.0000000 0.2400000), wk = 0.0027473 k( 327) = ( 0.5000000 -0.0000000 0.2200000), wk = 0.0027473 k( 328) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0027473 k( 329) = ( 0.5000000 -0.0000000 0.1800000), wk = 0.0027473 k( 330) = ( 0.5000000 -0.0000000 0.1600000), wk = 0.0027473 k( 331) = ( 0.5000000 -0.0000000 0.1400000), wk = 0.0027473 k( 332) = ( 0.5000000 -0.0000000 0.1200000), wk = 0.0027473 k( 333) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0027473 k( 334) = ( 0.5000000 -0.0000000 0.0800000), wk = 0.0027473 k( 335) = ( 0.5000000 -0.0000000 0.0600000), wk = 0.0027473 k( 336) = ( 0.5000000 -0.0000000 0.0400000), wk = 0.0027473 k( 337) = ( 0.5000000 -0.0000000 0.0200000), wk = 0.0027473 k( 338) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 66965 G-vectors FFT dimensions: ( 45, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 470, 36) NL pseudopotentials 0.40 Mb ( 235, 112) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1864) G-vector shells 0.01 Mb ( 892) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 470, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.12 Mb ( 112, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li3N.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.8 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.6 secs Computing kpt #: 19 total cpu time spent up to now is 8.9 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.2 secs Computing kpt #: 31 total cpu time spent up to now is 13.7 secs Computing kpt #: 32 total cpu time spent up to now is 14.2 secs Computing kpt #: 33 total cpu time spent up to now is 14.7 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.1 secs Computing kpt #: 37 total cpu time spent up to now is 16.6 secs Computing kpt #: 38 total cpu time spent up to now is 17.0 secs Computing kpt #: 39 total cpu time spent up to now is 17.5 secs Computing kpt #: 40 total cpu time spent up to now is 17.9 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.9 secs Computing kpt #: 43 total cpu time spent up to now is 19.3 secs Computing kpt #: 44 total cpu time spent up to now is 19.7 secs Computing kpt #: 45 total cpu time spent up to now is 20.1 secs Computing kpt #: 46 total cpu time spent up to now is 20.5 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.3 secs Computing kpt #: 49 total cpu time spent up to now is 21.7 secs Computing kpt #: 50 total cpu time spent up to now is 22.1 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.3 secs Computing kpt #: 57 total cpu time spent up to now is 24.7 secs Computing kpt #: 58 total cpu time spent up to now is 25.1 secs Computing kpt #: 59 total cpu time spent up to now is 25.5 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.3 secs Computing kpt #: 62 total cpu time spent up to now is 26.7 secs Computing kpt #: 63 total cpu time spent up to now is 27.1 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.0 secs Computing kpt #: 66 total cpu time spent up to now is 28.5 secs Computing kpt #: 67 total cpu time spent up to now is 29.0 secs Computing kpt #: 68 total cpu time spent up to now is 29.5 secs Computing kpt #: 69 total cpu time spent up to now is 30.0 secs Computing kpt #: 70 total cpu time spent up to now is 30.5 secs Computing kpt #: 71 total cpu time spent up to now is 31.0 secs Computing kpt #: 72 total cpu time spent up to now is 31.5 secs Computing kpt #: 73 total cpu time spent up to now is 31.9 secs Computing kpt #: 74 total cpu time spent up to now is 32.3 secs Computing kpt #: 75 total cpu time spent up to now is 32.7 secs Computing kpt #: 76 total cpu time spent up to now is 33.1 secs Computing kpt #: 77 total cpu time spent up to now is 33.5 secs Computing kpt #: 78 total cpu time spent up to now is 33.8 secs Computing kpt #: 79 total cpu time spent up to now is 34.2 secs Computing kpt #: 80 total cpu time spent up to now is 34.6 secs Computing kpt #: 81 total cpu time spent up to now is 35.0 secs Computing kpt #: 82 total cpu time spent up to now is 35.4 secs Computing kpt #: 83 total cpu time spent up to now is 35.7 secs Computing kpt #: 84 total cpu time spent up to now is 36.1 secs Computing kpt #: 85 total cpu time spent up to now is 36.5 secs Computing kpt #: 86 total cpu time spent up to now is 36.8 secs Computing kpt #: 87 total cpu time spent up to now is 37.2 secs Computing kpt #: 88 total cpu time spent up to now is 37.6 secs Computing kpt #: 89 total cpu time spent up to now is 38.0 secs Computing kpt #: 90 total cpu time spent up to now is 38.4 secs Computing kpt #: 91 total cpu time spent up to now is 38.8 secs Computing kpt #: 92 total cpu time spent up to now is 39.2 secs Computing kpt #: 93 total cpu time spent up to now is 39.5 secs Computing kpt #: 94 total cpu time spent up to now is 39.9 secs Computing kpt #: 95 total cpu time spent up to now is 40.3 secs Computing kpt #: 96 total cpu time spent up to now is 40.7 secs Computing kpt #: 97 total cpu time spent up to now is 41.1 secs Computing kpt #: 98 total cpu time spent up to now is 41.5 secs Computing kpt #: 99 total cpu time spent up to now is 41.9 secs Computing kpt #: 100 total cpu time spent up to now is 42.2 secs Computing kpt #: 101 total cpu time spent up to now is 42.6 secs Computing kpt #: 102 total cpu time spent up to now is 43.0 secs Computing kpt #: 103 total cpu time spent up to now is 43.4 secs Computing kpt #: 104 total cpu time spent up to now is 43.8 secs Computing kpt #: 105 total cpu time spent up to now is 44.1 secs Computing kpt #: 106 total cpu time spent up to now is 44.5 secs Computing kpt #: 107 total cpu time spent up to now is 44.9 secs Computing kpt #: 108 total cpu time spent up to now is 45.3 secs Computing kpt #: 109 total cpu time spent up to now is 45.6 secs Computing kpt #: 110 total cpu time spent up to now is 46.0 secs Computing kpt #: 111 total cpu time spent up to now is 46.4 secs Computing kpt #: 112 total cpu time spent up to now is 46.8 secs Computing kpt #: 113 total cpu time spent up to now is 47.1 secs Computing kpt #: 114 total cpu time spent up to now is 47.5 secs Computing kpt #: 115 total cpu time spent up to now is 47.9 secs Computing kpt #: 116 total cpu time spent up to now is 48.3 secs Computing kpt #: 117 total cpu time spent up to now is 48.6 secs Computing kpt #: 118 total cpu time spent up to now is 49.0 secs Computing kpt #: 119 total cpu time spent up to now is 49.4 secs Computing kpt #: 120 total cpu time spent up to now is 49.8 secs Computing kpt #: 121 total cpu time spent up to now is 50.1 secs Computing kpt #: 122 total cpu time spent up to now is 50.5 secs Computing kpt #: 123 total cpu time spent up to now is 50.9 secs Computing kpt #: 124 total cpu time spent up to now is 51.3 secs Computing kpt #: 125 total cpu time spent up to now is 51.7 secs Computing kpt #: 126 total cpu time spent up to now is 52.0 secs Computing kpt #: 127 total cpu time spent up to now is 52.4 secs Computing kpt #: 128 total cpu time spent up to now is 52.8 secs Computing kpt #: 129 total cpu time spent up to now is 53.2 secs Computing kpt #: 130 total cpu time spent up to now is 53.5 secs Computing kpt #: 131 total cpu time spent up to now is 53.9 secs Computing kpt #: 132 total cpu time spent up to now is 54.3 secs Computing kpt #: 133 total cpu time spent up to now is 54.7 secs Computing kpt #: 134 total cpu time spent up to now is 55.0 secs Computing kpt #: 135 total cpu time spent up to now is 55.4 secs Computing kpt #: 136 total cpu time spent up to now is 55.8 secs Computing kpt #: 137 total cpu time spent up to now is 56.2 secs Computing kpt #: 138 total cpu time spent up to now is 56.6 secs Computing kpt #: 139 total cpu time spent up to now is 57.1 secs Computing kpt #: 140 total cpu time spent up to now is 57.5 secs Computing kpt #: 141 total cpu time spent up to now is 58.0 secs Computing kpt #: 142 total cpu time spent up to now is 58.7 secs Computing kpt #: 143 total cpu time spent up to now is 59.1 secs Computing kpt #: 144 total cpu time spent up to now is 59.5 secs Computing kpt #: 145 total cpu time spent up to now is 59.9 secs Computing kpt #: 146 total cpu time spent up to now is 60.4 secs Computing kpt #: 147 total cpu time spent up to now is 60.8 secs Computing kpt #: 148 total cpu time spent up to now is 61.3 secs Computing kpt #: 149 total cpu time spent up to now is 61.8 secs Computing kpt #: 150 total cpu time spent up to now is 62.2 secs Computing kpt #: 151 total cpu time spent up to now is 62.7 secs Computing kpt #: 152 total cpu time spent up to now is 63.1 secs Computing kpt #: 153 total cpu time spent up to now is 63.4 secs Computing kpt #: 154 total cpu time spent up to now is 63.9 secs Computing kpt #: 155 total cpu time spent up to now is 64.3 secs Computing kpt #: 156 total cpu time spent up to now is 64.8 secs Computing kpt #: 157 total cpu time spent up to now is 65.1 secs Computing kpt #: 158 total cpu time spent up to now is 65.5 secs Computing kpt #: 159 total cpu time spent up to now is 66.0 secs Computing kpt #: 160 total cpu time spent up to now is 66.6 secs Computing kpt #: 161 total cpu time spent up to now is 67.1 secs Computing kpt #: 162 total cpu time spent up to now is 67.6 secs Computing kpt #: 163 total cpu time spent up to now is 68.1 secs Computing kpt #: 164 total cpu time spent up to now is 68.6 secs Computing kpt #: 165 total cpu time spent up to now is 69.1 secs Computing kpt #: 166 total cpu time spent up to now is 69.6 secs Computing kpt #: 167 total cpu time spent up to now is 70.1 secs Computing kpt #: 168 total cpu time spent up to now is 70.7 secs Computing kpt #: 169 total cpu time spent up to now is 71.1 secs Computing kpt #: 170 total cpu time spent up to now is 71.4 secs Computing kpt #: 171 total cpu time spent up to now is 72.0 secs Computing kpt #: 172 total cpu time spent up to now is 72.5 secs Computing kpt #: 173 total cpu time spent up to now is 73.0 secs Computing kpt #: 174 total cpu time spent up to now is 73.5 secs Computing kpt #: 175 total cpu time spent up to now is 74.0 secs Computing kpt #: 176 total cpu time spent up to now is 74.4 secs Computing kpt #: 177 total cpu time spent up to now is 74.9 secs Computing kpt #: 178 total cpu time spent up to now is 75.3 secs Computing kpt #: 179 total cpu time spent up to now is 75.7 secs Computing kpt #: 180 total cpu time spent up to now is 76.1 secs Computing kpt #: 181 total cpu time spent up to now is 76.5 secs Computing kpt #: 182 total cpu time spent up to now is 76.9 secs Computing kpt #: 183 total cpu time spent up to now is 77.3 secs Computing kpt #: 184 total cpu time spent up to now is 77.6 secs Computing kpt #: 185 total cpu time spent up to now is 78.0 secs Computing kpt #: 186 total cpu time spent up to now is 78.4 secs Computing kpt #: 187 total cpu time spent up to now is 78.8 secs Computing kpt #: 188 total cpu time spent up to now is 79.2 secs Computing kpt #: 189 total cpu time spent up to now is 79.5 secs Computing kpt #: 190 total cpu time spent up to now is 79.9 secs Computing kpt #: 191 total cpu time spent up to now is 80.2 secs Computing kpt #: 192 total cpu time spent up to now is 80.6 secs Computing kpt #: 193 total cpu time spent up to now is 81.0 secs Computing kpt #: 194 total cpu time spent up to now is 81.3 secs Computing kpt #: 195 total cpu time spent up to now is 81.7 secs Computing kpt #: 196 total cpu time spent up to now is 82.0 secs Computing kpt #: 197 total cpu time spent up to now is 82.4 secs Computing kpt #: 198 total cpu time spent up to now is 82.8 secs Computing kpt #: 199 total cpu time spent up to now is 83.1 secs Computing kpt #: 200 total cpu time spent up to now is 83.5 secs Computing kpt #: 201 total cpu time spent up to now is 83.9 secs Computing kpt #: 202 total cpu time spent up to now is 84.2 secs Computing kpt #: 203 total cpu time spent up to now is 84.6 secs Computing kpt #: 204 total cpu time spent up to now is 85.0 secs Computing kpt #: 205 total cpu time spent up to now is 85.4 secs Computing kpt #: 206 total cpu time spent up to now is 85.8 secs Computing kpt #: 207 total cpu time spent up to now is 86.2 secs Computing kpt #: 208 total cpu time spent up to now is 86.5 secs Computing kpt #: 209 total cpu time spent up to now is 86.9 secs Computing kpt #: 210 total cpu time spent up to now is 87.3 secs Computing kpt #: 211 total cpu time spent up to now is 87.7 secs Computing kpt #: 212 total cpu time spent up to now is 88.1 secs Computing kpt #: 213 total cpu time spent up to now is 88.5 secs Computing kpt #: 214 total cpu time spent up to now is 88.9 secs Computing kpt #: 215 total cpu time spent up to now is 89.2 secs Computing kpt #: 216 total cpu time spent up to now is 89.6 secs Computing kpt #: 217 total cpu time spent up to now is 90.0 secs Computing kpt #: 218 total cpu time spent up to now is 90.4 secs Computing kpt #: 219 total cpu time spent up to now is 90.8 secs Computing kpt #: 220 total cpu time spent up to now is 91.2 secs Computing kpt #: 221 total cpu time spent up to now is 91.6 secs Computing kpt #: 222 total cpu time spent up to now is 92.0 secs Computing kpt #: 223 total cpu time spent up to now is 92.4 secs Computing kpt #: 224 total cpu time spent up to now is 92.8 secs Computing kpt #: 225 total cpu time spent up to now is 93.2 secs Computing kpt #: 226 total cpu time spent up to now is 93.6 secs Computing kpt #: 227 total cpu time spent up to now is 94.0 secs Computing kpt #: 228 total cpu time spent up to now is 94.3 secs Computing kpt #: 229 total cpu time spent up to now is 94.7 secs Computing kpt #: 230 total cpu time spent up to now is 95.1 secs Computing kpt #: 231 total cpu time spent up to now is 95.5 secs Computing kpt #: 232 total cpu time spent up to now is 95.9 secs Computing kpt #: 233 total cpu time spent up to now is 96.3 secs Computing kpt #: 234 total cpu time spent up to now is 96.7 secs Computing kpt #: 235 total cpu time spent up to now is 97.0 secs Computing kpt #: 236 total cpu time spent up to now is 97.4 secs Computing kpt #: 237 total cpu time spent up to now is 97.8 secs Computing kpt #: 238 total cpu time spent up to now is 98.2 secs Computing kpt #: 239 total cpu time spent up to now is 98.6 secs Computing kpt #: 240 total cpu time spent up to now is 98.9 secs Computing kpt #: 241 total cpu time spent up to now is 99.3 secs Computing kpt #: 242 total cpu time spent up to now is 99.7 secs Computing kpt #: 243 total cpu time spent up to now is 100.1 secs Computing kpt #: 244 total cpu time spent up to now is 100.4 secs Computing kpt #: 245 total cpu time spent up to now is 100.8 secs Computing kpt #: 246 total cpu time spent up to now is 101.2 secs Computing kpt #: 247 total cpu time spent up to now is 101.5 secs Computing kpt #: 248 total cpu time spent up to now is 101.9 secs Computing kpt #: 249 total cpu time spent up to now is 102.2 secs Computing kpt #: 250 total cpu time spent up to now is 102.6 secs Computing kpt #: 251 total cpu time spent up to now is 102.9 secs Computing kpt #: 252 total cpu time spent up to now is 103.2 secs Computing kpt #: 253 total cpu time spent up to now is 103.6 secs Computing kpt #: 254 total cpu time spent up to now is 103.9 secs Computing kpt #: 255 total cpu time spent up to now is 104.2 secs Computing kpt #: 256 total cpu time spent up to now is 104.6 secs Computing kpt #: 257 total cpu time spent up to now is 104.9 secs Computing kpt #: 258 total cpu time spent up to now is 105.3 secs Computing kpt #: 259 total cpu time spent up to now is 105.7 secs Computing kpt #: 260 total cpu time spent up to now is 106.0 secs Computing kpt #: 261 total cpu time spent up to now is 106.4 secs Computing kpt #: 262 total cpu time spent up to now is 106.7 secs Computing kpt #: 263 total cpu time spent up to now is 107.1 secs Computing kpt #: 264 total cpu time spent up to now is 107.4 secs Computing kpt #: 265 total cpu time spent up to now is 107.8 secs Computing kpt #: 266 total cpu time spent up to now is 108.2 secs Computing kpt #: 267 total cpu time spent up to now is 108.6 secs Computing kpt #: 268 total cpu time spent up to now is 108.9 secs Computing kpt #: 269 total cpu time spent up to now is 109.3 secs Computing kpt #: 270 total cpu time spent up to now is 109.7 secs Computing kpt #: 271 total cpu time spent up to now is 110.0 secs Computing kpt #: 272 total cpu time spent up to now is 110.4 secs Computing kpt #: 273 total cpu time spent up to now is 110.8 secs Computing kpt #: 274 total cpu time spent up to now is 111.2 secs Computing kpt #: 275 total cpu time spent up to now is 111.5 secs Computing kpt #: 276 total cpu time spent up to now is 111.9 secs Computing kpt #: 277 total cpu time spent up to now is 112.3 secs Computing kpt #: 278 total cpu time spent up to now is 112.7 secs Computing kpt #: 279 total cpu time spent up to now is 113.1 secs Computing kpt #: 280 total cpu time spent up to now is 113.4 secs Computing kpt #: 281 total cpu time spent up to now is 113.8 secs Computing kpt #: 282 total cpu time spent up to now is 114.2 secs Computing kpt #: 283 total cpu time spent up to now is 114.6 secs Computing kpt #: 284 total cpu time spent up to now is 114.9 secs Computing kpt #: 285 total cpu time spent up to now is 115.3 secs Computing kpt #: 286 total cpu time spent up to now is 115.7 secs Computing kpt #: 287 total cpu time spent up to now is 116.1 secs Computing kpt #: 288 total cpu time spent up to now is 116.4 secs Computing kpt #: 289 total cpu time spent up to now is 116.8 secs Computing kpt #: 290 total cpu time spent up to now is 117.2 secs Computing kpt #: 291 total cpu time spent up to now is 117.6 secs Computing kpt #: 292 total cpu time spent up to now is 117.9 secs Computing kpt #: 293 total cpu time spent up to now is 118.3 secs Computing kpt #: 294 total cpu time spent up to now is 118.7 secs Computing kpt #: 295 total cpu time spent up to now is 119.1 secs Computing kpt #: 296 total cpu time spent up to now is 119.4 secs Computing kpt #: 297 total cpu time spent up to now is 119.8 secs Computing kpt #: 298 total cpu time spent up to now is 120.2 secs Computing kpt #: 299 total cpu time spent up to now is 120.6 secs Computing kpt #: 300 total cpu time spent up to now is 121.0 secs Computing kpt #: 301 total cpu time spent up to now is 121.3 secs Computing kpt #: 302 total cpu time spent up to now is 121.7 secs Computing kpt #: 303 total cpu time spent up to now is 122.1 secs Computing kpt #: 304 total cpu time spent up to now is 122.6 secs Computing kpt #: 305 total cpu time spent up to now is 123.0 secs Computing kpt #: 306 total cpu time spent up to now is 123.4 secs Computing kpt #: 307 total cpu time spent up to now is 123.8 secs Computing kpt #: 308 total cpu time spent up to now is 124.3 secs Computing kpt #: 309 total cpu time spent up to now is 124.8 secs Computing kpt #: 310 total cpu time spent up to now is 125.3 secs Computing kpt #: 311 total cpu time spent up to now is 125.8 secs Computing kpt #: 312 total cpu time spent up to now is 126.2 secs Computing kpt #: 313 total cpu time spent up to now is 126.6 secs Computing kpt #: 314 total cpu time spent up to now is 127.0 secs Computing kpt #: 315 total cpu time spent up to now is 127.3 secs Computing kpt #: 316 total cpu time spent up to now is 127.8 secs Computing kpt #: 317 total cpu time spent up to now is 128.5 secs Computing kpt #: 318 total cpu time spent up to now is 129.0 secs Computing kpt #: 319 total cpu time spent up to now is 129.5 secs Computing kpt #: 320 total cpu time spent up to now is 130.0 secs Computing kpt #: 321 total cpu time spent up to now is 130.5 secs Computing kpt #: 322 total cpu time spent up to now is 131.0 secs Computing kpt #: 323 total cpu time spent up to now is 131.5 secs Computing kpt #: 324 total cpu time spent up to now is 132.0 secs Computing kpt #: 325 total cpu time spent up to now is 132.4 secs Computing kpt #: 326 total cpu time spent up to now is 132.9 secs Computing kpt #: 327 total cpu time spent up to now is 133.4 secs Computing kpt #: 328 total cpu time spent up to now is 133.8 secs Computing kpt #: 329 total cpu time spent up to now is 134.2 secs Computing kpt #: 330 total cpu time spent up to now is 134.6 secs Computing kpt #: 331 total cpu time spent up to now is 134.9 secs Computing kpt #: 332 total cpu time spent up to now is 135.3 secs Computing kpt #: 333 total cpu time spent up to now is 135.7 secs Computing kpt #: 334 total cpu time spent up to now is 136.1 secs Computing kpt #: 335 total cpu time spent up to now is 136.5 secs Computing kpt #: 336 total cpu time spent up to now is 136.9 secs Computing kpt #: 337 total cpu time spent up to now is 137.2 secs Computing kpt #: 338 total cpu time spent up to now is 137.6 secs Computing kpt #: 339 total cpu time spent up to now is 138.0 secs Computing kpt #: 340 total cpu time spent up to now is 138.4 secs Computing kpt #: 341 total cpu time spent up to now is 138.8 secs Computing kpt #: 342 total cpu time spent up to now is 139.1 secs Computing kpt #: 343 total cpu time spent up to now is 139.5 secs Computing kpt #: 344 total cpu time spent up to now is 139.9 secs Computing kpt #: 345 total cpu time spent up to now is 140.3 secs Computing kpt #: 346 total cpu time spent up to now is 140.7 secs Computing kpt #: 347 total cpu time spent up to now is 141.1 secs Computing kpt #: 348 total cpu time spent up to now is 141.5 secs Computing kpt #: 349 total cpu time spent up to now is 141.8 secs Computing kpt #: 350 total cpu time spent up to now is 142.2 secs Computing kpt #: 351 total cpu time spent up to now is 142.6 secs Computing kpt #: 352 total cpu time spent up to now is 143.0 secs Computing kpt #: 353 total cpu time spent up to now is 143.3 secs Computing kpt #: 354 total cpu time spent up to now is 143.7 secs Computing kpt #: 355 total cpu time spent up to now is 144.0 secs Computing kpt #: 356 total cpu time spent up to now is 144.4 secs Computing kpt #: 357 total cpu time spent up to now is 144.8 secs Computing kpt #: 358 total cpu time spent up to now is 145.1 secs Computing kpt #: 359 total cpu time spent up to now is 145.5 secs Computing kpt #: 360 total cpu time spent up to now is 145.8 secs Computing kpt #: 361 total cpu time spent up to now is 146.2 secs Computing kpt #: 362 total cpu time spent up to now is 146.5 secs Computing kpt #: 363 total cpu time spent up to now is 146.9 secs Computing kpt #: 364 total cpu time spent up to now is 147.2 secs ethr = 3.57E-08, avg # of iterations = 17.1 total cpu time spent up to now is 147.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8307 PWs) bands (ev): -41.0662 -41.0662 -40.9640 -40.9640 -40.8926 -40.8926 -40.7964 -40.7964 -40.2823 -40.2823 -40.2815 -40.2815 -8.0211 -8.0211 -7.8291 -7.8291 0.7284 0.7284 3.3304 3.3304 3.5481 3.5481 3.5578 3.5578 3.9259 3.9259 3.9363 3.9363 6.5342 6.5342 9.7308 9.7308 10.2230 10.2230 11.0650 11.0652 k = 0.0098 0.0057-0.0000 ( 8293 PWs) bands (ev): -41.0662 -41.0662 -40.9640 -40.9640 -40.8926 -40.8926 -40.7964 -40.7964 -40.2823 -40.2823 -40.2815 -40.2815 -8.0209 -8.0209 -7.8290 -7.8290 0.7291 0.7291 3.3303 3.3303 3.5455 3.5455 3.5553 3.5553 3.9238 3.9238 3.9346 3.9346 6.5371 6.5371 9.7280 9.7280 10.2244 10.2244 11.0128 11.0128 k = 0.0196 0.0113-0.0000 ( 8289 PWs) bands (ev): -41.0660 -41.0660 -40.9639 -40.9639 -40.8926 -40.8926 -40.7965 -40.7965 -40.2823 -40.2823 -40.2815 -40.2815 -8.0202 -8.0202 -7.8285 -7.8285 0.7314 0.7314 3.3301 3.3301 3.5374 3.5374 3.5480 3.5480 3.9157 3.9157 3.9315 3.9315 6.5457 6.5457 9.7195 9.7195 10.2285 10.2285 10.9435 10.9435 k = 0.0294 0.0170-0.0000 ( 8297 PWs) bands (ev): -41.0658 -41.0658 -40.9637 -40.9637 -40.8928 -40.8928 -40.7966 -40.7966 -40.2824 -40.2824 -40.2815 -40.2815 -8.0191 -8.0191 -7.8278 -7.8278 0.7351 0.7351 3.3297 3.3297 3.5228 3.5228 3.5370 3.5370 3.9002 3.9002 3.9286 3.9286 6.5598 6.5598 9.7054 9.7054 10.2351 10.2351 10.8768 10.8768 k = 0.0392 0.0226-0.0000 ( 8293 PWs) bands (ev): -41.0654 -41.0654 -40.9634 -40.9634 -40.8929 -40.8929 -40.7969 -40.7969 -40.2824 -40.2824 -40.2816 -40.2816 -8.0176 -8.0176 -7.8267 -7.8267 0.7403 0.7403 3.3291 3.3291 3.5016 3.5016 3.5228 3.5228 3.8780 3.8780 3.9254 3.9254 6.5790 6.5790 9.6855 9.6855 10.2439 10.2439 10.8143 10.8143 k = 0.0490 0.0283-0.0000 ( 8309 PWs) bands (ev): -41.0649 -41.0649 -40.9631 -40.9631 -40.8931 -40.8931 -40.7972 -40.7972 -40.2825 -40.2825 -40.2817 -40.2817 -8.0156 -8.0156 -7.8254 -7.8254 0.7471 0.7471 3.3283 3.3283 3.4738 3.4738 3.5055 3.5055 3.8502 3.8502 3.9214 3.9214 6.6030 6.6030 9.6598 9.6598 10.2542 10.2542 10.7567 10.7567 k = 0.0588 0.0340-0.0000 ( 8309 PWs) bands (ev): -41.0644 -41.0644 -40.9627 -40.9627 -40.8934 -40.8934 -40.7975 -40.7975 -40.2826 -40.2826 -40.2818 -40.2818 -8.0132 -8.0132 -7.8238 -7.8238 0.7553 0.7553 3.3273 3.3273 3.4399 3.4399 3.4852 3.4852 3.8173 3.8173 3.9163 3.9163 6.6312 6.6312 9.6281 9.6281 10.2651 10.2651 10.7050 10.7050 k = 0.0686 0.0396-0.0000 ( 8313 PWs) bands (ev): -41.0637 -41.0637 -40.9622 -40.9622 -40.8936 -40.8936 -40.7980 -40.7980 -40.2828 -40.2828 -40.2819 -40.2819 -8.0103 -8.0103 -7.8220 -7.8220 0.7650 0.7650 3.3261 3.3261 3.4000 3.4000 3.4620 3.4620 3.7800 3.7800 3.9101 3.9101 6.6631 6.6631 9.5904 9.5904 10.2753 10.2753 10.6606 10.6606 k = 0.0784 0.0453-0.0000 ( 8321 PWs) bands (ev): -41.0630 -41.0630 -40.9617 -40.9617 -40.8940 -40.8940 -40.7985 -40.7985 -40.2829 -40.2829 -40.2821 -40.2821 -8.0071 -8.0071 -7.8198 -7.8198 0.7762 0.7762 3.3246 3.3246 3.3545 3.3545 3.4362 3.4362 3.7390 3.7390 3.9026 3.9026 6.6981 6.6981 9.5466 9.5466 10.2828 10.2828 10.6250 10.6250 k = 0.0882 0.0509-0.0000 ( 8319 PWs) bands (ev): -41.0621 -41.0621 -40.9610 -40.9610 -40.8944 -40.8944 -40.7990 -40.7990 -40.2831 -40.2831 -40.2822 -40.2822 -8.0034 -8.0034 -7.8174 -7.8174 0.7889 0.7889 3.3034 3.3034 3.3232 3.3232 3.4081 3.4081 3.6947 3.6947 3.8937 3.8937 6.7359 6.7359 9.4967 9.4967 10.2856 10.2856 10.6005 10.6005 k = 0.0980 0.0566-0.0000 ( 8307 PWs) bands (ev): -41.0612 -41.0612 -40.9603 -40.9603 -40.8948 -40.8948 -40.7997 -40.7997 -40.2833 -40.2833 -40.2824 -40.2824 -7.9993 -7.9993 -7.8147 -7.8147 0.8031 0.8031 3.2478 3.2478 3.3211 3.3211 3.3779 3.3779 3.6478 3.6478 3.8835 3.8835 6.7757 6.7757 9.4407 9.4407 10.2815 10.2815 10.5887 10.5887 k = 0.1078 0.0623-0.0000 ( 8309 PWs) bands (ev): -41.0601 -41.0601 -40.9596 -40.9596 -40.8952 -40.8952 -40.8004 -40.8004 -40.2835 -40.2835 -40.2826 -40.2826 -7.9948 -7.9948 -7.8118 -7.8118 0.8187 0.8187 3.1876 3.1876 3.3188 3.3188 3.3459 3.3459 3.5984 3.5984 3.8720 3.8720 6.8172 6.8172 9.3788 9.3788 10.2702 10.2702 10.5898 10.5898 k = 0.1176 0.0679-0.0000 ( 8325 PWs) bands (ev): -41.0590 -41.0590 -40.9587 -40.9587 -40.8957 -40.8957 -40.8011 -40.8011 -40.2838 -40.2838 -40.2828 -40.2828 -7.9900 -7.9900 -7.8087 -7.8087 0.8359 0.8359 3.1235 3.1235 3.3114 3.3114 3.3170 3.3170 3.5471 3.5471 3.8590 3.8590 6.8599 6.8599 9.3112 9.3112 10.2530 10.2530 10.6022 10.6022 k = 0.1275 0.0736-0.0000 ( 8327 PWs) bands (ev): -41.0578 -41.0578 -40.9578 -40.9578 -40.8963 -40.8963 -40.8019 -40.8019 -40.2840 -40.2840 -40.2830 -40.2830 -7.9847 -7.9847 -7.8054 -7.8054 0.8545 0.8545 3.0559 3.0559 3.2768 3.2768 3.3135 3.3135 3.4940 3.4940 3.8447 3.8447 6.9035 6.9035 9.2380 9.2380 10.2322 10.2322 10.6235 10.6235 k = 0.1373 0.0792-0.0000 ( 8341 PWs) bands (ev): -41.0565 -41.0565 -40.9569 -40.9569 -40.8969 -40.8969 -40.8028 -40.8028 -40.2843 -40.2843 -40.2832 -40.2832 -7.9792 -7.9792 -7.8018 -7.8018 0.8745 0.8745 2.9854 2.9854 3.2406 3.2406 3.3101 3.3101 3.4395 3.4395 3.8292 3.8292 6.9475 6.9475 9.1597 9.1597 10.2097 10.2097 10.6513 10.6513 k = 0.1471 0.0849-0.0000 ( 8345 PWs) bands (ev): -41.0551 -41.0551 -40.9559 -40.9559 -40.8975 -40.8975 -40.8038 -40.8038 -40.2846 -40.2846 -40.2834 -40.2834 -7.9733 -7.9733 -7.7981 -7.7981 0.8961 0.8961 2.9125 2.9125 3.2033 3.2033 3.3063 3.3063 3.3837 3.3837 3.8125 3.8125 6.9919 6.9919 9.0766 9.0766 10.1872 10.1872 10.6840 10.6840 k = 0.1569 0.0906-0.0000 ( 8353 PWs) bands (ev): -41.0536 -41.0536 -40.9548 -40.9548 -40.8982 -40.8982 -40.8048 -40.8048 -40.2849 -40.2849 -40.2837 -40.2837 -7.9670 -7.9670 -7.7941 -7.7941 0.9191 0.9191 2.8377 2.8377 3.1652 3.1652 3.3018 3.3018 3.3271 3.3271 3.7947 3.7947 7.0361 7.0361 8.9893 8.9893 10.1655 10.1655 10.7203 10.7203 k = 0.1667 0.0962-0.0000 ( 8341 PWs) bands (ev): -41.0521 -41.0521 -40.9536 -40.9536 -40.8989 -40.8989 -40.8058 -40.8058 -40.2852 -40.2852 -40.2839 -40.2839 -7.9605 -7.9605 -7.7901 -7.7901 0.9435 0.9435 2.7614 2.7614 3.1266 3.1266 3.2684 3.2684 3.2980 3.2980 3.7759 3.7759 7.0802 7.0802 8.8981 8.8981 10.1451 10.1451 10.7595 10.7595 k = 0.1765 0.1019-0.0000 ( 8347 PWs) bands (ev): -41.0505 -41.0505 -40.9524 -40.9524 -40.8997 -40.8997 -40.8069 -40.8069 -40.2855 -40.2855 -40.2842 -40.2842 -7.9536 -7.9536 -7.7859 -7.7859 0.9694 0.9694 2.6841 2.6841 3.0875 3.0875 3.2102 3.2102 3.2925 3.2925 3.7562 3.7562 7.1238 7.1238 8.8037 8.8037 10.1265 10.1265 10.8009 10.8009 k = 0.1863 0.1075-0.0000 ( 8347 PWs) bands (ev): -41.0488 -41.0488 -40.9512 -40.9512 -40.9005 -40.9005 -40.8081 -40.8081 -40.2859 -40.2859 -40.2845 -40.2845 -7.9465 -7.9465 -7.7815 -7.7815 0.9967 0.9967 2.6061 2.6061 3.0481 3.0481 3.1512 3.1512 3.2865 3.2865 3.7357 3.7357 7.1668 7.1668 8.7066 8.7066 10.1097 10.1097 10.8443 10.8443 k = 0.1961 0.1132-0.0000 ( 8353 PWs) bands (ev): -41.0470 -41.0470 -40.9498 -40.9498 -40.9014 -40.9014 -40.8093 -40.8093 -40.2862 -40.2862 -40.2848 -40.2848 -7.9391 -7.9391 -7.7771 -7.7771 1.0254 1.0254 2.5279 2.5279 3.0087 3.0087 3.0920 3.0920 3.2800 3.2800 3.7145 3.7145 7.2091 7.2091 8.6073 8.6073 10.0949 10.0949 10.8892 10.8892 k = 0.2059 0.1189-0.0000 ( 8349 PWs) bands (ev): -41.0452 -41.0452 -40.9485 -40.9485 -40.9023 -40.9023 -40.8105 -40.8105 -40.2866 -40.2866 -40.2850 -40.2850 -7.9316 -7.9316 -7.7725 -7.7725 1.0555 1.0555 2.4497 2.4497 2.9692 2.9692 3.0325 3.0325 3.2727 3.2727 3.6927 3.6927 7.2506 7.2506 8.5064 8.5064 10.0821 10.0821 10.9355 10.9355 k = 0.2157 0.1245-0.0000 ( 8349 PWs) bands (ev): -41.0433 -41.0433 -40.9471 -40.9471 -40.9033 -40.9033 -40.8119 -40.8119 -40.2869 -40.2869 -40.2853 -40.2853 -7.9237 -7.9237 -7.7680 -7.7680 1.0870 1.0870 2.3718 2.3718 2.9299 2.9299 2.9732 2.9732 3.2647 3.2647 3.6705 3.6705 7.2912 7.2912 8.4044 8.4044 10.0712 10.0712 10.9831 10.9831 k = 0.2255 0.1302-0.0000 ( 8347 PWs) bands (ev): -41.0413 -41.0413 -40.9456 -40.9456 -40.9043 -40.9043 -40.8132 -40.8132 -40.2873 -40.2873 -40.2856 -40.2856 -7.9158 -7.9158 -7.7633 -7.7633 1.1198 1.1198 2.2946 2.2946 2.8907 2.8907 2.9143 2.9143 3.2558 3.2558 3.6480 3.6480 7.3308 7.3308 8.3019 8.3019 10.0621 10.0621 11.0317 11.0317 k = 0.2353 0.1358-0.0000 ( 8353 PWs) bands (ev): -41.0393 -41.0393 -40.9441 -40.9441 -40.9053 -40.9053 -40.8146 -40.8146 -40.2877 -40.2877 -40.2859 -40.2859 -7.9076 -7.9076 -7.7587 -7.7587 1.1540 1.1540 2.2183 2.2183 2.8499 2.8499 2.8579 2.8579 3.2460 3.2460 3.6253 3.6253 7.3693 7.3693 8.1992 8.1992 10.0548 10.0548 11.0813 11.0813 k = 0.2451 0.1415-0.0000 ( 8353 PWs) bands (ev): -41.0373 -41.0373 -40.9425 -40.9425 -40.9064 -40.9064 -40.8161 -40.8161 -40.2881 -40.2881 -40.2862 -40.2862 -7.8993 -7.8993 -7.7540 -7.7540 1.1895 1.1895 2.1431 2.1431 2.7959 2.7959 2.8158 2.8158 3.2352 3.2352 3.6024 3.6024 7.4068 7.4068 8.0969 8.0969 10.0490 10.0490 11.1317 11.1317 k = 0.2549 0.1472-0.0000 ( 8353 PWs) bands (ev): -41.0352 -41.0352 -40.9409 -40.9409 -40.9075 -40.9075 -40.8175 -40.8175 -40.2884 -40.2884 -40.2865 -40.2865 -7.8909 -7.8909 -7.7494 -7.7494 1.2264 1.2264 2.0692 2.0692 2.7389 2.7389 2.7781 2.7781 3.2233 3.2233 3.5795 3.5795 7.4431 7.4431 7.9953 7.9953 10.0448 10.0448 11.1829 11.1829 k = 0.2647 0.1528-0.0000 ( 8351 PWs) bands (ev): -41.0331 -41.0331 -40.9393 -40.9393 -40.9087 -40.9087 -40.8191 -40.8191 -40.2888 -40.2888 -40.2868 -40.2868 -7.8824 -7.8824 -7.7448 -7.7448 1.2645 1.2645 1.9969 1.9969 2.6825 2.6825 2.7415 2.7415 3.2103 3.2103 3.5568 3.5568 7.4783 7.4783 7.8950 7.8950 10.0420 10.0420 11.2347 11.2347 k = 0.2745 0.1585-0.0000 ( 8355 PWs) bands (ev): -41.0309 -41.0309 -40.9376 -40.9376 -40.9099 -40.9099 -40.8206 -40.8206 -40.2892 -40.2892 -40.2871 -40.2871 -7.8739 -7.8739 -7.7403 -7.7403 1.3038 1.3038 1.9263 1.9263 2.6271 2.6271 2.7058 2.7058 3.1962 3.1962 3.5342 3.5342 7.5123 7.5123 7.7962 7.7962 10.0404 10.0404 11.2872 11.2872 k = 0.2843 0.1641-0.0000 ( 8357 PWs) bands (ev): -41.0287 -41.0287 -40.9359 -40.9359 -40.9111 -40.9111 -40.8222 -40.8222 -40.2896 -40.2896 -40.2874 -40.2874 -7.8653 -7.8653 -7.7359 -7.7359 1.3444 1.3444 1.8576 1.8576 2.5729 2.5729 2.6711 2.6711 3.1807 3.1807 3.5119 3.5119 7.5450 7.5450 7.6994 7.6994 10.0399 10.0399 11.2169 11.2169 k = 0.2941 0.1698-0.0000 ( 8357 PWs) bands (ev): -41.0265 -41.0265 -40.9342 -40.9342 -40.9124 -40.9124 -40.8238 -40.8238 -40.2900 -40.2900 -40.2876 -40.2876 -7.8567 -7.8567 -7.7316 -7.7316 1.3861 1.3861 1.7909 1.7909 2.5201 2.5201 2.6374 2.6374 3.1639 3.1639 3.4901 3.4901 7.5765 7.5765 7.6048 7.6048 10.0403 10.0403 11.1564 11.1564 k = 0.3039 0.1755-0.0000 ( 8361 PWs) bands (ev): -41.0242 -41.0242 -40.9325 -40.9325 -40.9137 -40.9137 -40.8255 -40.8255 -40.2903 -40.2903 -40.2879 -40.2879 -7.8482 -7.8482 -7.7274 -7.7274 1.4290 1.4290 1.7264 1.7264 2.4688 2.4688 2.6048 2.6048 3.1456 3.1456 3.4686 3.4686 7.5128 7.5128 7.6068 7.6068 10.0416 10.0416 11.0986 11.0986 k = 0.3137 0.1811-0.0000 ( 8365 PWs) bands (ev): -41.0220 -41.0220 -40.9307 -40.9307 -40.9151 -40.9151 -40.8271 -40.8271 -40.2907 -40.2907 -40.2882 -40.2882 -7.8396 -7.8396 -7.7234 -7.7234 1.4730 1.4730 1.6643 1.6643 2.4192 2.4192 2.5735 2.5735 3.1259 3.1259 3.4478 3.4478 7.4237 7.4237 7.6358 7.6358 10.0436 10.0436 11.0436 11.0436 k = 0.3235 0.1868-0.0000 ( 8361 PWs) bands (ev): -41.0197 -41.0197 -40.9289 -40.9289 -40.9164 -40.9164 -40.8288 -40.8288 -40.2910 -40.2910 -40.2884 -40.2884 -7.8312 -7.8312 -7.7195 -7.7195 1.5180 1.5180 1.6047 1.6047 2.3713 2.3713 2.5433 2.5433 3.1046 3.1046 3.4275 3.4275 7.3377 7.3377 7.6634 7.6634 10.0461 10.0461 10.9912 10.9912 k = 0.3333 0.1925-0.0000 ( 8357 PWs) bands (ev): -41.0175 -41.0175 -40.9271 -40.9271 -40.9178 -40.9178 -40.8305 -40.8305 -40.2914 -40.2914 -40.2887 -40.2887 -7.8229 -7.8229 -7.7159 -7.7159 1.5474 1.5474 1.5642 1.5642 2.3254 2.3254 2.5145 2.5145 3.0816 3.0816 3.4080 3.4080 7.2551 7.2551 7.6898 7.6898 10.0491 10.0491 10.9416 10.9416 k = 0.3431 0.1981-0.0000 ( 8365 PWs) bands (ev): -41.0152 -41.0152 -40.9254 -40.9254 -40.9192 -40.9192 -40.8321 -40.8321 -40.2917 -40.2917 -40.2889 -40.2889 -7.8147 -7.8147 -7.7125 -7.7125 1.4931 1.4931 1.6110 1.6110 2.2815 2.2815 2.4870 2.4870 3.0570 3.0570 3.3892 3.3892 7.1762 7.1762 7.7148 7.7148 10.0524 10.0524 10.8948 10.8948 k = 0.3529 0.2038-0.0000 ( 8369 PWs) bands (ev): -41.0130 -41.0130 -40.9236 -40.9236 -40.9207 -40.9207 -40.8338 -40.8338 -40.2921 -40.2921 -40.2892 -40.2892 -7.8067 -7.8067 -7.7093 -7.7093 1.4416 1.4416 1.6587 1.6587 2.2397 2.2397 2.4610 2.4610 3.0307 3.0307 3.3713 3.3713 7.1011 7.1011 7.7385 7.7385 10.0560 10.0560 10.8508 10.8508 k = 0.3627 0.2094-0.0000 ( 8375 PWs) bands (ev): -41.0108 -41.0108 -40.9221 -40.9221 -40.9219 -40.9219 -40.8355 -40.8355 -40.2924 -40.2924 -40.2894 -40.2894 -7.7990 -7.7990 -7.7064 -7.7064 1.3929 1.3929 1.7073 1.7073 2.2001 2.2001 2.4364 2.4364 3.0027 3.0027 3.3543 3.3543 7.0300 7.0300 7.7608 7.7608 10.0597 10.0597 10.8095 10.8095 k = 0.3725 0.2151-0.0000 ( 8367 PWs) bands (ev): -41.0086 -41.0086 -40.9235 -40.9235 -40.9202 -40.9202 -40.8371 -40.8371 -40.2927 -40.2927 -40.2896 -40.2896 -7.7914 -7.7914 -7.7037 -7.7037 1.3471 1.3471 1.7566 1.7566 2.1629 2.1629 2.4134 2.4134 2.9729 2.9729 3.3382 3.3382 6.9632 6.9632 7.7818 7.7818 10.0634 10.0634 10.7711 10.7711 k = 0.3824 0.2208-0.0000 ( 8375 PWs) bands (ev): -41.0066 -41.0066 -40.9249 -40.9249 -40.9185 -40.9185 -40.8387 -40.8387 -40.2929 -40.2929 -40.2898 -40.2898 -7.7841 -7.7841 -7.7014 -7.7014 1.3045 1.3045 1.8066 1.8066 2.1280 2.1280 2.3919 2.3919 2.9413 2.9413 3.3231 3.3231 6.9007 6.9007 7.8013 7.8013 10.0671 10.0671 10.7354 10.7354 k = 0.3922 0.2264-0.0000 ( 8373 PWs) bands (ev): -41.0045 -41.0045 -40.9263 -40.9263 -40.9168 -40.9168 -40.8403 -40.8403 -40.2932 -40.2932 -40.2900 -40.2900 -7.7772 -7.7772 -7.6993 -7.6993 1.2650 1.2650 1.8571 1.8571 2.0957 2.0957 2.3719 2.3719 2.9080 2.9080 3.3090 3.3090 6.8428 6.8428 7.8193 7.8193 10.0707 10.0707 10.7026 10.7026 k = 0.4020 0.2321-0.0000 ( 8379 PWs) bands (ev): -41.0026 -41.0026 -40.9277 -40.9277 -40.9153 -40.9153 -40.8418 -40.8418 -40.2934 -40.2934 -40.2902 -40.2902 -7.7705 -7.7705 -7.6975 -7.6975 1.2286 1.2286 1.9080 1.9080 2.0659 2.0659 2.3536 2.3536 2.8730 2.8730 3.2961 3.2961 6.7896 6.7896 7.8359 7.8359 10.0742 10.0742 10.6727 10.6727 k = 0.4118 0.2377-0.0000 ( 8387 PWs) bands (ev): -41.0007 -41.0007 -40.9290 -40.9290 -40.9138 -40.9138 -40.8432 -40.8432 -40.2937 -40.2937 -40.2903 -40.2903 -7.7643 -7.7643 -7.6961 -7.6961 1.1956 1.1956 1.9592 1.9592 2.0388 2.0388 2.3370 2.3370 2.8362 2.8362 3.2842 3.2842 6.7411 6.7411 7.8510 7.8510 10.0774 10.0774 10.6455 10.6455 k = 0.4216 0.2434-0.0000 ( 8387 PWs) bands (ev): -40.9990 -40.9990 -40.9303 -40.9303 -40.9123 -40.9123 -40.8446 -40.8446 -40.2939 -40.2939 -40.2905 -40.2905 -7.7584 -7.7584 -7.6949 -7.6949 1.1659 1.1659 2.0094 2.0094 2.0156 2.0156 2.3220 2.3220 2.7979 2.7979 3.2735 3.2735 6.6975 6.6975 7.8646 7.8646 10.0804 10.0804 10.6212 10.6212 k = 0.4314 0.2491-0.0000 ( 8387 PWs) bands (ev): -40.9973 -40.9973 -40.9314 -40.9314 -40.9110 -40.9110 -40.8459 -40.8459 -40.2940 -40.2940 -40.2906 -40.2906 -7.7530 -7.7530 -7.6940 -7.6940 1.1395 1.1395 1.9925 1.9925 2.0623 2.0623 2.3088 2.3088 2.7581 2.7581 3.2640 3.2640 6.6589 6.6589 7.8767 7.8767 10.0831 10.0831 10.5998 10.5998 k = 0.4412 0.2547-0.0000 ( 8383 PWs) bands (ev): -40.9959 -40.9959 -40.9325 -40.9325 -40.9098 -40.9098 -40.8470 -40.8470 -40.2942 -40.2942 -40.2907 -40.2907 -7.7482 -7.7482 -7.6934 -7.6934 1.1166 1.1166 1.9736 1.9736 2.1136 2.1136 2.2973 2.2973 2.7170 2.7170 3.2557 3.2557 6.6253 6.6253 7.8872 7.8872 10.0854 10.0854 10.5812 10.5812 k = 0.4510 0.2604-0.0000 ( 8378 PWs) bands (ev): -40.9946 -40.9946 -40.9335 -40.9335 -40.9088 -40.9088 -40.8480 -40.8480 -40.2943 -40.2943 -40.2908 -40.2908 -7.7439 -7.7439 -7.6930 -7.6930 1.0972 1.0972 1.9576 1.9576 2.1646 2.1646 2.2875 2.2875 2.6747 2.6747 3.2487 3.2487 6.5967 6.5967 7.8961 7.8961 10.0875 10.0875 10.5654 10.5654 k = 0.4608 0.2660-0.0000 ( 8374 PWs) bands (ev): -40.9935 -40.9935 -40.9343 -40.9343 -40.9079 -40.9079 -40.8489 -40.8489 -40.2944 -40.2944 -40.2909 -40.2909 -7.7402 -7.7402 -7.6928 -7.6928 1.0812 1.0812 1.9444 1.9444 2.2147 2.2147 2.2795 2.2795 2.6316 2.6316 3.2429 3.2429 6.5734 6.5734 7.9035 7.9035 10.0892 10.0892 10.5525 10.5525 k = 0.4706 0.2717-0.0000 ( 8376 PWs) bands (ev): -40.9926 -40.9926 -40.9350 -40.9350 -40.9072 -40.9072 -40.8496 -40.8496 -40.2945 -40.2945 -40.2909 -40.2909 -7.7372 -7.7372 -7.6927 -7.6927 1.0688 1.0688 1.9341 1.9341 2.2627 2.2627 2.2740 2.2740 2.5885 2.5885 3.2384 3.2384 6.5551 6.5551 7.9092 7.9092 10.0905 10.0905 10.5425 10.5425 k = 0.4804 0.2774-0.0000 ( 8390 PWs) bands (ev): -40.9920 -40.9920 -40.9355 -40.9355 -40.9066 -40.9066 -40.8501 -40.8501 -40.2946 -40.2946 -40.2910 -40.2910 -7.7350 -7.7350 -7.6928 -7.6928 1.0599 1.0599 1.9267 1.9267 2.2685 2.2685 2.3094 2.3094 2.5467 2.5467 3.2351 3.2351 6.5421 6.5421 7.9133 7.9133 10.0914 10.0914 10.5353 10.5353 k = 0.4902 0.2830-0.0000 ( 8390 PWs) bands (ev): -40.9916 -40.9916 -40.9358 -40.9358 -40.9063 -40.9063 -40.8504 -40.8504 -40.2946 -40.2946 -40.2910 -40.2910 -7.7337 -7.7337 -7.6928 -7.6928 1.0545 1.0545 1.9223 1.9223 2.2659 2.2659 2.3476 2.3476 2.5109 2.5109 3.2332 3.2332 6.5342 6.5342 7.9158 7.9158 10.0920 10.0920 10.5310 10.5310 k = 0.5000 0.2887-0.0000 ( 8392 PWs) bands (ev): -40.9914 -40.9914 -40.9359 -40.9359 -40.9062 -40.9062 -40.8505 -40.8505 -40.2946 -40.2946 -40.2910 -40.2910 -7.7332 -7.7332 -7.6928 -7.6928 1.0527 1.0527 1.9208 1.9208 2.2650 2.2650 2.3650 2.3650 2.4943 2.4943 3.2325 3.2325 6.5316 6.5316 7.9166 7.9166 10.0922 10.0922 10.5296 10.5296 k = 0.5000 0.2887-0.0000 ( 8392 PWs) bands (ev): -40.9914 -40.9914 -40.9359 -40.9359 -40.9062 -40.9062 -40.8505 -40.8505 -40.2946 -40.2946 -40.2910 -40.2910 -7.7332 -7.7332 -7.6928 -7.6928 1.0527 1.0527 1.9208 1.9208 2.2650 2.2650 2.3650 2.3650 2.4943 2.4943 3.2325 3.2325 6.5316 6.5316 7.9166 7.9166 10.0922 10.0922 10.5296 10.5296 k = 0.4944 0.2983-0.0000 ( 8392 PWs) bands (ev): -40.9914 -40.9914 -40.9359 -40.9359 -40.9062 -40.9062 -40.8506 -40.8506 -40.2946 -40.2946 -40.2910 -40.2910 -7.7331 -7.7331 -7.6928 -7.6928 1.0531 1.0531 1.9203 1.9203 2.2631 2.2631 2.3654 2.3654 2.4950 2.4950 3.2318 3.2318 6.5276 6.5276 7.9204 7.9204 10.0942 10.0942 10.5342 10.5342 k = 0.4889 0.3079-0.0000 ( 8384 PWs) bands (ev): -40.9913 -40.9913 -40.9360 -40.9360 -40.9061 -40.9061 -40.8507 -40.8507 -40.2947 -40.2947 -40.2910 -40.2910 -7.7329 -7.7329 -7.6926 -7.6926 1.0543 1.0543 1.9188 1.9188 2.2573 2.2573 2.3665 2.3665 2.4970 2.4970 3.2296 3.2296 6.5157 6.5157 7.9317 7.9317 10.1001 10.1001 10.5478 10.5478 k = 0.4833 0.3175-0.0000 ( 8390 PWs) bands (ev): -40.9911 -40.9911 -40.9361 -40.9361 -40.9059 -40.9059 -40.8508 -40.8508 -40.2947 -40.2947 -40.2910 -40.2910 -7.7324 -7.7324 -7.6923 -7.6923 1.0561 1.0561 1.9163 1.9163 2.2478 2.2478 2.3685 2.3685 2.5005 2.5005 3.2259 3.2259 6.4960 6.4960 7.9504 7.9504 10.1098 10.1098 10.5703 10.5703 k = 0.4778 0.3272-0.0000 ( 8398 PWs) bands (ev): -40.9908 -40.9908 -40.9363 -40.9363 -40.9057 -40.9057 -40.8511 -40.8511 -40.2947 -40.2947 -40.2910 -40.2910 -7.7318 -7.7318 -7.6919 -7.6919 1.0588 1.0588 1.9127 1.9127 2.2347 2.2347 2.3712 2.3712 2.5053 2.5053 3.2208 3.2208 6.4690 6.4690 7.9765 7.9765 10.1233 10.1233 10.6012 10.6012 k = 0.4722 0.3368-0.0000 ( 8394 PWs) bands (ev): -40.9905 -40.9905 -40.9366 -40.9366 -40.9054 -40.9054 -40.8514 -40.8514 -40.2948 -40.2948 -40.2911 -40.2911 -7.7310 -7.7310 -7.6914 -7.6914 1.0622 1.0622 1.9082 1.9082 2.2181 2.2181 2.3747 2.3747 2.5113 2.5113 3.2145 3.2145 6.4351 6.4351 8.0096 8.0096 10.1404 10.1404 10.6401 10.6401 k = 0.4667 0.3464-0.0000 ( 8370 PWs) bands (ev): -40.9901 -40.9901 -40.9369 -40.9369 -40.9050 -40.9050 -40.8517 -40.8517 -40.2948 -40.2948 -40.2911 -40.2911 -7.7300 -7.7300 -7.6908 -7.6908 1.0664 1.0664 1.9026 1.9026 2.1983 2.1983 2.3790 2.3790 2.5187 2.5187 3.2069 3.2069 6.3949 6.3949 8.0495 8.0495 10.1608 10.1608 10.6863 10.6863 k = 0.4611 0.3560-0.0000 ( 8362 PWs) bands (ev): -40.9896 -40.9896 -40.9372 -40.9372 -40.9045 -40.9045 -40.8521 -40.8521 -40.2949 -40.2949 -40.2911 -40.2911 -7.7288 -7.7288 -7.6901 -7.6901 1.0713 1.0713 1.8961 1.8961 2.1755 2.1755 2.3840 2.3840 2.5272 2.5272 3.1982 3.1982 6.3491 6.3491 8.0959 8.0959 10.1843 10.1843 10.7392 10.7392 k = 0.4556 0.3657-0.0000 ( 8362 PWs) bands (ev): -40.9890 -40.9890 -40.9377 -40.9377 -40.9040 -40.9040 -40.8526 -40.8526 -40.2949 -40.2949 -40.2911 -40.2911 -7.7275 -7.7275 -7.6893 -7.6893 1.0770 1.0770 1.8887 1.8887 2.1500 2.1500 2.3898 2.3898 2.5369 2.5369 3.1885 3.1885 6.2983 6.2983 8.1484 8.1484 10.2107 10.2107 10.7981 10.7981 k = 0.4500 0.3753-0.0000 ( 8367 PWs) bands (ev): -40.9884 -40.9884 -40.9381 -40.9381 -40.9034 -40.9034 -40.8532 -40.8532 -40.2950 -40.2950 -40.2912 -40.2912 -7.7261 -7.7261 -7.6885 -7.6885 1.0834 1.0834 1.8803 1.8803 2.1221 2.1221 2.3963 2.3963 2.5476 2.5476 3.1780 3.1780 6.2432 6.2432 8.2066 8.2066 10.2397 10.2397 10.8622 10.8622 k = 0.4444 0.3849-0.0000 ( 8363 PWs) bands (ev): -40.9877 -40.9877 -40.9387 -40.9387 -40.9028 -40.9028 -40.8538 -40.8538 -40.2951 -40.2951 -40.2912 -40.2912 -7.7245 -7.7245 -7.6876 -7.6876 1.0905 1.0905 1.8710 1.8710 2.0920 2.0920 2.4036 2.4036 2.5593 2.5593 3.1668 3.1668 6.1847 6.1847 8.2702 8.2702 10.2708 10.2708 10.9308 10.9308 k = 0.4389 0.3945-0.0000 ( 8357 PWs) bands (ev): -40.9869 -40.9869 -40.9393 -40.9393 -40.9021 -40.9021 -40.8545 -40.8545 -40.2952 -40.2952 -40.2912 -40.2912 -7.7228 -7.7228 -7.6867 -7.6867 1.0984 1.0984 1.8609 1.8609 2.0603 2.0603 2.4117 2.4117 2.5718 2.5718 3.1551 3.1551 6.1232 6.1232 8.3386 8.3386 10.3038 10.3038 11.0032 11.0032 k = 0.4333 0.4041-0.0000 ( 8351 PWs) bands (ev): -40.9861 -40.9861 -40.9399 -40.9399 -40.9013 -40.9013 -40.8553 -40.8553 -40.2953 -40.2953 -40.2913 -40.2913 -7.7210 -7.7210 -7.6857 -7.6857 1.1070 1.1070 1.8500 1.8500 2.0271 2.0271 2.4204 2.4204 2.5851 2.5851 3.1430 3.1430 6.0597 6.0597 8.4114 8.4114 10.3383 10.3383 11.0787 11.0787 k = 0.4278 0.4138-0.0000 ( 8347 PWs) bands (ev): -40.9851 -40.9851 -40.9406 -40.9406 -40.9005 -40.9005 -40.8561 -40.8561 -40.2954 -40.2954 -40.2913 -40.2913 -7.7190 -7.7190 -7.6847 -7.6847 1.1163 1.1163 1.8382 1.8382 1.9928 1.9928 2.4298 2.4298 2.5989 2.5989 3.1307 3.1307 5.9946 5.9946 8.4881 8.4881 10.3738 10.3738 11.1565 11.1565 k = 0.4222 0.4234-0.0000 ( 8347 PWs) bands (ev): -40.9842 -40.9842 -40.9414 -40.9414 -40.8996 -40.8996 -40.8569 -40.8569 -40.2955 -40.2955 -40.2913 -40.2913 -7.7169 -7.7169 -7.6837 -7.6837 1.1262 1.1262 1.8258 1.8258 1.9578 1.9578 2.4400 2.4400 2.6131 2.6131 3.1183 3.1183 5.9287 5.9287 8.5682 8.5682 10.4101 10.4101 11.2361 11.2361 k = 0.4167 0.4330-0.0000 ( 8351 PWs) bands (ev): -40.9832 -40.9832 -40.9422 -40.9422 -40.8986 -40.8986 -40.8579 -40.8579 -40.2956 -40.2956 -40.2914 -40.2914 -7.7148 -7.7148 -7.6827 -7.6827 1.1368 1.1368 1.8128 1.8128 1.9225 1.9225 2.4508 2.4508 2.6275 2.6275 3.1059 3.1059 5.8626 5.8626 8.6511 8.6511 10.4466 10.4466 11.3168 11.3168 k = 0.4111 0.4426-0.0000 ( 8359 PWs) bands (ev): -40.9821 -40.9821 -40.9431 -40.9431 -40.8976 -40.8976 -40.8589 -40.8589 -40.2957 -40.2957 -40.2914 -40.2914 -7.7126 -7.7126 -7.6818 -7.6818 1.1480 1.1480 1.7991 1.7991 1.8870 1.8870 2.4622 2.4622 2.6419 2.6419 3.0938 3.0938 5.7970 5.7970 8.7362 8.7362 10.4830 10.4830 11.3981 11.3981 k = 0.4056 0.4523-0.0000 ( 8359 PWs) bands (ev): -40.9809 -40.9809 -40.9441 -40.9441 -40.8965 -40.8965 -40.8599 -40.8599 -40.2958 -40.2958 -40.2915 -40.2915 -7.7103 -7.7103 -7.6809 -7.6809 1.1597 1.1597 1.7850 1.7850 1.8519 1.8519 2.4744 2.4744 2.6561 2.6561 3.0820 3.0820 5.7323 5.7323 8.8230 8.8230 10.5190 10.5190 11.4794 11.4794 k = 0.4000 0.4619-0.0000 ( 8363 PWs) bands (ev): -40.9797 -40.9797 -40.9451 -40.9451 -40.8954 -40.8954 -40.8610 -40.8610 -40.2959 -40.2959 -40.2915 -40.2915 -7.7080 -7.7080 -7.6801 -7.6801 1.1719 1.1719 1.7705 1.7705 1.8175 1.8175 2.4871 2.4871 2.6698 2.6698 3.0706 3.0706 5.6692 5.6692 8.9109 8.9109 10.5543 10.5543 11.5601 11.5601 k = 0.3944 0.4715-0.0000 ( 8363 PWs) bands (ev): -40.9784 -40.9784 -40.9461 -40.9461 -40.8942 -40.8942 -40.8622 -40.8622 -40.2960 -40.2960 -40.2916 -40.2916 -7.7057 -7.7057 -7.6793 -7.6793 1.1844 1.1844 1.7556 1.7556 1.7841 1.7841 2.5004 2.5004 2.6827 2.6827 3.0599 3.0599 5.6084 5.6084 8.9991 8.9991 10.5884 10.5884 11.5225 11.5225 k = 0.3889 0.4811-0.0000 ( 8363 PWs) bands (ev): -40.9771 -40.9771 -40.9472 -40.9472 -40.8930 -40.8930 -40.8634 -40.8634 -40.2961 -40.2961 -40.2916 -40.2916 -7.7033 -7.7033 -7.6787 -7.6787 1.1972 1.1972 1.7402 1.7402 1.7525 1.7525 2.5144 2.5144 2.6946 2.6946 3.0497 3.0497 5.5502 5.5502 9.0869 9.0869 10.6212 10.6212 11.4387 11.4387 k = 0.3833 0.4907-0.0000 ( 8357 PWs) bands (ev): -40.9757 -40.9757 -40.9484 -40.9484 -40.8917 -40.8917 -40.8646 -40.8646 -40.2961 -40.2961 -40.2917 -40.2917 -7.7009 -7.7009 -7.6782 -7.6782 1.2101 1.2101 1.7200 1.7200 1.7275 1.7275 2.5288 2.5288 2.7050 2.7050 3.0403 3.0403 5.4954 5.4954 9.1734 9.1734 10.6523 10.6523 11.3556 11.3556 k = 0.3778 0.5004-0.0000 ( 8359 PWs) bands (ev): -40.9743 -40.9743 -40.9497 -40.9497 -40.8904 -40.8904 -40.8660 -40.8660 -40.2962 -40.2962 -40.2917 -40.2917 -7.6986 -7.6986 -7.6778 -7.6778 1.2228 1.2228 1.6929 1.6929 1.7116 1.7116 2.5439 2.5439 2.7137 2.7137 3.0317 3.0317 5.4445 5.4445 9.2577 9.2577 10.6816 10.6816 11.2741 11.2741 k = 0.3722 0.5100-0.0000 ( 8361 PWs) bands (ev): -40.9729 -40.9729 -40.9509 -40.9509 -40.8890 -40.8890 -40.8673 -40.8673 -40.2963 -40.2963 -40.2918 -40.2918 -7.6963 -7.6963 -7.6776 -7.6776 1.2351 1.2351 1.6677 1.6677 1.6967 1.6967 2.5594 2.5594 2.7202 2.7202 3.0240 3.0240 5.3979 5.3979 9.3387 9.3387 10.7089 10.7089 11.1951 11.1951 k = 0.3667 0.5196-0.0000 ( 8365 PWs) bands (ev): -40.9714 -40.9714 -40.9523 -40.9523 -40.8876 -40.8876 -40.8687 -40.8687 -40.2964 -40.2964 -40.2918 -40.2918 -7.6940 -7.6940 -7.6776 -7.6776 1.2467 1.2467 1.6456 1.6456 1.6822 1.6822 2.5754 2.5754 2.7243 2.7243 3.0172 3.0172 5.3563 5.3563 9.4150 9.4150 10.7342 10.7342 11.1198 11.1198 k = 0.3611 0.5292-0.0000 ( 8361 PWs) bands (ev): -40.9698 -40.9698 -40.9537 -40.9537 -40.8861 -40.8861 -40.8702 -40.8702 -40.2964 -40.2964 -40.2918 -40.2918 -7.6918 -7.6918 -7.6778 -7.6778 1.2571 1.2571 1.6272 1.6272 1.6682 1.6682 2.5919 2.5919 2.7256 2.7256 3.0114 3.0114 5.3202 5.3202 9.4850 9.4850 10.7572 10.7572 11.0496 11.0496 k = 0.3556 0.5389-0.0000 ( 8353 PWs) bands (ev): -40.9682 -40.9682 -40.9552 -40.9552 -40.8846 -40.8846 -40.8717 -40.8717 -40.2965 -40.2965 -40.2918 -40.2918 -7.6897 -7.6897 -7.6782 -7.6782 1.2660 1.2660 1.6133 1.6133 1.6547 1.6547 2.6089 2.6089 2.7237 2.7237 3.0066 3.0066 5.2899 5.2899 9.5468 9.5468 10.7779 10.7779 10.9862 10.9862 k = 0.3500 0.5485-0.0000 ( 8355 PWs) bands (ev): -40.9666 -40.9666 -40.9567 -40.9567 -40.8830 -40.8830 -40.8732 -40.8732 -40.2965 -40.2965 -40.2919 -40.2919 -7.6876 -7.6876 -7.6788 -7.6788 1.2730 1.2730 1.6042 1.6042 1.6420 1.6420 2.6262 2.6262 2.7185 2.7185 3.0028 3.0028 5.2658 5.2658 9.5984 9.5984 10.7964 10.7964 10.9315 10.9315 k = 0.3444 0.5581-0.0000 ( 8359 PWs) bands (ev): -40.9650 -40.9650 -40.9583 -40.9583 -40.8814 -40.8814 -40.8748 -40.8748 -40.2966 -40.2966 -40.2919 -40.2919 -7.6857 -7.6857 -7.6797 -7.6797 1.2778 1.2778 1.6003 1.6003 1.6302 1.6302 2.6439 2.6439 2.7096 2.7096 3.0001 3.0001 5.2484 5.2484 9.6374 9.6374 10.8127 10.8127 10.8875 10.8875 k = 0.3389 0.5677-0.0000 ( 8353 PWs) bands (ev): -40.9633 -40.9633 -40.9599 -40.9599 -40.8798 -40.8798 -40.8765 -40.8765 -40.2966 -40.2966 -40.2919 -40.2919 -7.6839 -7.6839 -7.6809 -7.6809 1.2804 1.2804 1.6017 1.6017 1.6195 1.6195 2.6620 2.6620 2.6969 2.6969 2.9985 2.9985 5.2378 5.2378 9.6617 9.6617 10.8266 10.8266 10.8561 10.8561 k = 0.3333 0.5774-0.0000 ( 8367 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6823 -7.6823 -7.6823 -7.6823 1.2812 1.2812 1.6060 1.6060 1.6121 1.6121 2.6803 2.6803 2.6804 2.6804 2.9980 2.9980 5.2343 5.2343 9.6700 9.6700 10.8381 10.8381 10.8388 10.8388 k = 0.3333 0.5774-0.0000 ( 8367 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6823 -7.6823 -7.6823 -7.6823 1.2812 1.2812 1.6060 1.6060 1.6121 1.6121 2.6803 2.6803 2.6804 2.6804 2.9980 2.9980 5.2343 5.2343 9.6700 9.6700 10.8381 10.8381 10.8388 10.8388 k = 0.3277 0.5676-0.0000 ( 8353 PWs) bands (ev): -40.9634 -40.9634 -40.9598 -40.9598 -40.8798 -40.8798 -40.8764 -40.8764 -40.2966 -40.2966 -40.2919 -40.2919 -7.6840 -7.6840 -7.6808 -7.6808 1.2806 1.2806 1.5998 1.5998 1.6214 1.6214 2.6595 2.6595 2.6993 2.6993 2.9985 2.9985 5.2380 5.2380 9.6616 9.6616 10.8345 10.8345 10.8483 10.8483 k = 0.3220 0.5578-0.0000 ( 8355 PWs) bands (ev): -40.9652 -40.9652 -40.9581 -40.9581 -40.8816 -40.8816 -40.8746 -40.8746 -40.2966 -40.2966 -40.2919 -40.2919 -7.6861 -7.6861 -7.6794 -7.6794 1.2793 1.2793 1.5926 1.5926 1.6374 1.6374 2.6347 2.6347 2.7186 2.7186 3.0002 3.0002 5.2490 5.2490 9.6373 9.6373 10.8434 10.8434 10.8560 10.8560 k = 0.3164 0.5480-0.0000 ( 8363 PWs) bands (ev): -40.9671 -40.9671 -40.9563 -40.9563 -40.8834 -40.8834 -40.8728 -40.8728 -40.2965 -40.2965 -40.2919 -40.2919 -7.6885 -7.6885 -7.6783 -7.6783 1.2779 1.2779 1.5866 1.5866 1.6573 1.6573 2.6061 2.6061 2.7380 2.7380 3.0031 3.0031 5.2673 5.2673 9.5991 9.5991 10.8615 10.8615 10.8628 10.8628 k = 0.3107 0.5382-0.0000 ( 8347 PWs) bands (ev): -40.9690 -40.9690 -40.9545 -40.9545 -40.8852 -40.8852 -40.8710 -40.8710 -40.2965 -40.2965 -40.2918 -40.2918 -7.6912 -7.6912 -7.6773 -7.6773 1.2772 1.2772 1.5822 1.5822 1.6806 1.6806 2.5739 2.5739 2.7576 2.7576 3.0070 3.0070 5.2926 5.2926 9.5497 9.5497 10.8654 10.8654 10.8894 10.8894 k = 0.3051 0.5284-0.0000 ( 8339 PWs) bands (ev): -40.9710 -40.9710 -40.9526 -40.9526 -40.8871 -40.8871 -40.8692 -40.8692 -40.2964 -40.2964 -40.2918 -40.2918 -7.6943 -7.6943 -7.6766 -7.6766 1.2775 1.2775 1.5795 1.5795 1.7066 1.7066 2.5383 2.5383 2.7774 2.7774 3.0121 3.0121 5.3248 5.3248 9.4914 9.4914 10.8673 10.8673 10.9207 10.9207 k = 0.2994 0.5186-0.0000 ( 8347 PWs) bands (ev): -40.9730 -40.9730 -40.9508 -40.9508 -40.8890 -40.8890 -40.8673 -40.8673 -40.2963 -40.2963 -40.2917 -40.2917 -7.6977 -7.6977 -7.6760 -7.6760 1.2794 1.2794 1.5785 1.5785 1.7351 1.7351 2.4997 2.4997 2.7973 2.7973 3.0184 3.0184 5.3636 5.3636 9.4266 9.4266 10.8674 10.8674 10.9541 10.9541 k = 0.2938 0.5089-0.0000 ( 8347 PWs) bands (ev): -40.9750 -40.9750 -40.9490 -40.9490 -40.8909 -40.8909 -40.8654 -40.8654 -40.2962 -40.2962 -40.2917 -40.2917 -7.7015 -7.7015 -7.6757 -7.6757 1.2831 1.2831 1.5794 1.5794 1.7657 1.7657 2.4584 2.4584 2.8172 2.8172 3.0257 3.0257 5.4087 5.4087 9.3571 9.3571 10.8660 10.8660 10.9873 10.9873 k = 0.2881 0.4991-0.0000 ( 8349 PWs) bands (ev): -40.9772 -40.9772 -40.9472 -40.9472 -40.8928 -40.8928 -40.8635 -40.8635 -40.2961 -40.2961 -40.2916 -40.2916 -7.7056 -7.7056 -7.6757 -7.6757 1.2890 1.2890 1.5822 1.5822 1.7982 1.7982 2.4147 2.4147 2.8372 2.8372 3.0341 3.0341 5.4597 5.4597 9.2841 9.2841 10.8630 10.8630 11.0186 11.0186 k = 0.2825 0.4893-0.0000 ( 8349 PWs) bands (ev): -40.9793 -40.9793 -40.9453 -40.9453 -40.8948 -40.8948 -40.8616 -40.8616 -40.2960 -40.2960 -40.2915 -40.2915 -7.7100 -7.7100 -7.6759 -7.6759 1.2971 1.2971 1.5871 1.5871 1.8324 1.8324 2.3689 2.3689 2.8571 2.8571 3.0437 3.0437 5.5163 5.5163 9.2088 9.2088 10.8586 10.8586 11.0467 11.0467 k = 0.2768 0.4795-0.0000 ( 8351 PWs) bands (ev): -40.9815 -40.9815 -40.9435 -40.9435 -40.8968 -40.8968 -40.8597 -40.8597 -40.2958 -40.2958 -40.2914 -40.2914 -7.7149 -7.7149 -7.6763 -7.6763 1.3077 1.3077 1.5940 1.5940 1.8682 1.8682 2.3215 2.3215 2.8770 2.8770 3.0543 3.0543 5.5783 5.5783 9.1320 9.1320 10.8528 10.8528 11.0705 11.0705 k = 0.2712 0.4697-0.0000 ( 8355 PWs) bands (ev): -40.9837 -40.9837 -40.9417 -40.9417 -40.8987 -40.8987 -40.8578 -40.8578 -40.2956 -40.2956 -40.2913 -40.2913 -7.7200 -7.7200 -7.6770 -7.6770 1.3209 1.3209 1.6030 1.6030 1.9055 1.9055 2.2726 2.2726 2.8968 2.8968 3.0659 3.0659 5.6452 5.6452 9.0543 9.0543 10.8459 10.8459 11.0893 11.0893 k = 0.2655 0.4599-0.0000 ( 8349 PWs) bands (ev): -40.9860 -40.9860 -40.9398 -40.9398 -40.9007 -40.9007 -40.8558 -40.8558 -40.2954 -40.2954 -40.2912 -40.2912 -7.7255 -7.7255 -7.6780 -7.6780 1.3367 1.3367 1.6142 1.6142 1.9442 1.9442 2.2226 2.2226 2.9164 2.9164 3.0786 3.0786 5.7168 5.7168 8.9763 8.9763 10.8377 10.8377 11.1024 11.1024 k = 0.2599 0.4501-0.0000 ( 8353 PWs) bands (ev): -40.9883 -40.9883 -40.9380 -40.9380 -40.9027 -40.9027 -40.8539 -40.8539 -40.2952 -40.2952 -40.2911 -40.2911 -7.7313 -7.7313 -7.6792 -7.6792 1.3552 1.3552 1.6277 1.6277 1.9842 1.9842 2.1718 2.1718 2.9359 2.9359 3.0923 3.0923 5.7929 5.7929 8.8982 8.8982 10.8286 10.8286 11.1097 11.1097 k = 0.2542 0.4404-0.0000 ( 8361 PWs) bands (ev): -40.9906 -40.9906 -40.9363 -40.9363 -40.9047 -40.9047 -40.8519 -40.8519 -40.2950 -40.2950 -40.2910 -40.2910 -7.7374 -7.7374 -7.6807 -7.6807 1.3764 1.3764 1.6434 1.6434 2.0253 2.0253 2.1203 2.1203 2.9552 2.9552 3.1071 3.1071 5.8730 5.8730 8.8205 8.8205 10.8185 10.8185 11.1110 11.1110 k = 0.2486 0.4306-0.0000 ( 8365 PWs) bands (ev): -40.9929 -40.9929 -40.9345 -40.9345 -40.9068 -40.9068 -40.8500 -40.8500 -40.2948 -40.2948 -40.2908 -40.2908 -7.7439 -7.7439 -7.6824 -7.6824 1.4005 1.4005 1.6614 1.6614 2.0651 2.0651 2.0710 2.0710 2.9742 2.9742 3.1228 3.1228 5.9571 5.9571 8.7433 8.7433 10.8075 10.8075 11.1066 11.1066 k = 0.2429 0.4208-0.0000 ( 8371 PWs) bands (ev): -40.9953 -40.9953 -40.9327 -40.9327 -40.9088 -40.9088 -40.8480 -40.8480 -40.2945 -40.2945 -40.2907 -40.2907 -7.7506 -7.7506 -7.6844 -7.6844 1.4273 1.4273 1.6818 1.6818 2.0163 2.0163 2.1112 2.1112 2.9929 2.9929 3.1394 3.1394 6.0448 6.0448 8.6668 8.6668 10.7957 10.7957 11.0967 11.0967 k = 0.2373 0.4110-0.0000 ( 8375 PWs) bands (ev): -40.9977 -40.9977 -40.9310 -40.9310 -40.9108 -40.9108 -40.8461 -40.8461 -40.2942 -40.2942 -40.2905 -40.2905 -7.7576 -7.7576 -7.6867 -7.6867 1.4569 1.4569 1.7044 1.7044 1.9643 1.9643 2.1556 2.1556 3.0112 3.0112 3.1570 3.1570 6.1359 6.1359 8.5913 8.5913 10.7833 10.7833 11.0817 11.0817 k = 0.2316 0.4012-0.0000 ( 8375 PWs) bands (ev): -41.0000 -41.0000 -40.9293 -40.9293 -40.9128 -40.9128 -40.8441 -40.8441 -40.2939 -40.2939 -40.2903 -40.2903 -7.7649 -7.7649 -7.6892 -7.6892 1.4893 1.4893 1.7294 1.7294 1.9125 1.9125 2.2010 2.2010 3.0292 3.0292 3.1755 3.1755 6.2302 6.2302 8.5167 8.5167 10.7702 10.7702 11.0621 11.0621 k = 0.2260 0.3914-0.0000 ( 8365 PWs) bands (ev): -41.0024 -41.0024 -40.9276 -40.9276 -40.9148 -40.9148 -40.8422 -40.8422 -40.2936 -40.2936 -40.2901 -40.2901 -7.7724 -7.7724 -7.6919 -7.6919 1.5245 1.5245 1.7567 1.7567 1.8610 1.8610 2.2473 2.2473 3.0468 3.0468 3.1948 3.1948 6.3274 6.3274 8.4433 8.4433 10.7565 10.7565 11.0384 11.0384 k = 0.2203 0.3816-0.0000 ( 8361 PWs) bands (ev): -41.0049 -41.0049 -40.9259 -40.9259 -40.9168 -40.9168 -40.8403 -40.8403 -40.2933 -40.2933 -40.2899 -40.2899 -7.7801 -7.7801 -7.6949 -7.6949 1.5623 1.5623 1.7861 1.7861 1.8101 1.8101 2.2943 2.2943 3.0640 3.0640 3.2150 3.2150 6.4275 6.4275 8.3711 8.3711 10.7424 10.7424 11.0113 11.0113 k = 0.2147 0.3719-0.0000 ( 8365 PWs) bands (ev): -41.0073 -41.0073 -40.9243 -40.9243 -40.9188 -40.9188 -40.8384 -40.8384 -40.2930 -40.2930 -40.2897 -40.2897 -7.7881 -7.7881 -7.6981 -7.6981 1.6029 1.6029 1.7592 1.7592 1.8184 1.8184 2.3422 2.3422 3.0807 3.0807 3.2359 3.2359 6.5302 6.5302 8.3001 8.3001 10.7279 10.7279 10.9813 10.9813 k = 0.2090 0.3621-0.0000 ( 8365 PWs) bands (ev): -41.0097 -41.0097 -40.9227 -40.9227 -40.9208 -40.9208 -40.8365 -40.8365 -40.2926 -40.2926 -40.2895 -40.2895 -7.7962 -7.7962 -7.7015 -7.7015 1.6461 1.6461 1.7094 1.7094 1.8526 1.8526 2.3907 2.3907 3.0969 3.0969 3.2576 3.2576 6.6352 6.6352 8.2304 8.2304 10.7131 10.7131 10.9490 10.9490 k = 0.2034 0.3523-0.0000 ( 8367 PWs) bands (ev): -41.0121 -41.0121 -40.9227 -40.9227 -40.9211 -40.9211 -40.8347 -40.8347 -40.2923 -40.2923 -40.2892 -40.2892 -7.8045 -7.8045 -7.7051 -7.7051 1.6603 1.6603 1.6919 1.6919 1.8890 1.8890 2.4399 2.4399 3.1126 3.1126 3.2801 3.2801 6.7425 6.7425 8.1621 8.1621 10.6979 10.6979 10.9149 10.9149 k = 0.1977 0.3425-0.0000 ( 8371 PWs) bands (ev): -41.0145 -41.0145 -40.9247 -40.9247 -40.9196 -40.9196 -40.8328 -40.8328 -40.2919 -40.2919 -40.2890 -40.2890 -7.8129 -7.8129 -7.7089 -7.7089 1.6120 1.6120 1.7402 1.7402 1.9276 1.9276 2.4895 2.4895 3.1277 3.1277 3.3031 3.3031 6.8518 6.8518 8.0951 8.0951 10.6826 10.6826 10.8794 10.8794 k = 0.1921 0.3327-0.0000 ( 8367 PWs) bands (ev): -41.0169 -41.0169 -40.9266 -40.9266 -40.9181 -40.9181 -40.8310 -40.8310 -40.2916 -40.2916 -40.2887 -40.2887 -7.8214 -7.8214 -7.7129 -7.7129 1.5647 1.5647 1.7910 1.7910 1.9684 1.9684 2.5397 2.5397 3.1423 3.1423 3.3268 3.3268 6.9629 6.9629 8.0295 8.0295 10.6672 10.6672 10.8431 10.8431 k = 0.1864 0.3229-0.0000 ( 8365 PWs) bands (ev): -41.0193 -41.0193 -40.9285 -40.9285 -40.9166 -40.9166 -40.8292 -40.8292 -40.2912 -40.2912 -40.2885 -40.2885 -7.8300 -7.8300 -7.7170 -7.7170 1.5183 1.5183 1.8441 1.8441 2.0113 2.0113 2.5902 2.5902 3.1563 3.1563 3.3510 3.3510 7.0757 7.0757 7.9653 7.9653 10.6516 10.6516 10.8063 10.8063 k = 0.1808 0.3131-0.0000 ( 8367 PWs) bands (ev): -41.0216 -41.0216 -40.9303 -40.9303 -40.9152 -40.9152 -40.8275 -40.8275 -40.2908 -40.2908 -40.2882 -40.2882 -7.8387 -7.8387 -7.7213 -7.7213 1.4730 1.4730 1.8995 1.8995 2.0562 2.0562 2.6409 2.6409 3.1697 3.1697 3.3757 3.3757 7.1898 7.1898 7.9024 7.9024 10.6360 10.6360 10.7695 10.7695 k = 0.1751 0.3034-0.0000 ( 8351 PWs) bands (ev): -41.0240 -41.0240 -40.9322 -40.9322 -40.9138 -40.9138 -40.8257 -40.8257 -40.2904 -40.2904 -40.2879 -40.2879 -7.8475 -7.8475 -7.7257 -7.7257 1.4288 1.4288 1.9571 1.9571 2.1030 2.1030 2.6919 2.6919 3.1825 3.1825 3.4009 3.4009 7.3052 7.3052 7.8409 7.8409 10.6205 10.6205 10.7330 10.7330 k = 0.1695 0.2936-0.0000 ( 8341 PWs) bands (ev): -41.0263 -41.0263 -40.9340 -40.9340 -40.9124 -40.9124 -40.8240 -40.8240 -40.2900 -40.2900 -40.2877 -40.2877 -7.8562 -7.8562 -7.7302 -7.7302 1.3857 1.3857 2.0167 2.0167 2.1517 2.1517 2.7429 2.7429 3.1947 3.1947 3.4264 3.4264 7.4215 7.4215 7.7808 7.7808 10.6050 10.6050 10.6973 10.6973 k = 0.1638 0.2838-0.0000 ( 8359 PWs) bands (ev): -41.0286 -41.0286 -40.9358 -40.9358 -40.9111 -40.9111 -40.8224 -40.8224 -40.2896 -40.2896 -40.2874 -40.2874 -7.8650 -7.8650 -7.7348 -7.7348 1.3438 1.3438 2.0783 2.0783 2.2021 2.2021 2.7940 2.7940 3.2062 3.2062 3.4522 3.4522 7.5386 7.5386 7.7219 7.7219 10.5895 10.5895 10.6625 10.6625 k = 0.1582 0.2740-0.0000 ( 8371 PWs) bands (ev): -41.0308 -41.0308 -40.9375 -40.9375 -40.9099 -40.9099 -40.8207 -40.8207 -40.2893 -40.2893 -40.2871 -40.2871 -7.8737 -7.8737 -7.7394 -7.7394 1.3031 1.3031 2.1418 2.1418 2.2542 2.2542 2.8450 2.8450 3.2172 3.2172 3.4782 3.4782 7.6561 7.6561 7.6642 7.6642 10.5743 10.5743 10.6290 10.6290 k = 0.1525 0.2642-0.0000 ( 8375 PWs) bands (ev): -41.0330 -41.0330 -40.9392 -40.9392 -40.9087 -40.9087 -40.8191 -40.8191 -40.2889 -40.2889 -40.2868 -40.2868 -7.8823 -7.8823 -7.7441 -7.7441 1.2636 1.2636 2.2069 2.2069 2.3078 2.3078 2.8957 2.8957 3.2275 3.2275 3.5043 3.5043 7.6077 7.6077 7.7738 7.7738 10.5592 10.5592 10.5970 10.5970 k = 0.1469 0.2544-0.0000 ( 8367 PWs) bands (ev): -41.0352 -41.0352 -40.9409 -40.9409 -40.9075 -40.9075 -40.8176 -40.8176 -40.2885 -40.2885 -40.2865 -40.2865 -7.8909 -7.8909 -7.7489 -7.7489 1.2254 1.2254 2.2736 2.2736 2.3628 2.3628 2.9462 2.9462 3.2372 3.2372 3.5305 3.5305 7.5523 7.5523 7.8915 7.8915 10.5443 10.5443 10.5670 10.5670 k = 0.1412 0.2446-0.0000 ( 8343 PWs) bands (ev): -41.0373 -41.0373 -40.9425 -40.9425 -40.9063 -40.9063 -40.8161 -40.8161 -40.2881 -40.2881 -40.2862 -40.2862 -7.8994 -7.8994 -7.7537 -7.7537 1.1886 1.1886 2.3417 2.3417 2.4191 2.4191 2.9962 2.9962 3.2463 3.2463 3.5567 3.5567 7.4980 7.4980 8.0086 8.0086 10.5296 10.5296 10.5391 10.5391 k = 0.1356 0.2349-0.0000 ( 8363 PWs) bands (ev): -41.0394 -41.0394 -40.9441 -40.9441 -40.9053 -40.9053 -40.8146 -40.8146 -40.2877 -40.2877 -40.2859 -40.2859 -7.9077 -7.9077 -7.7584 -7.7584 1.1530 1.1530 2.4110 2.4110 2.4765 2.4765 3.0458 3.0458 3.2548 3.2548 3.5827 3.5827 7.4447 7.4447 8.1250 8.1250 10.5134 10.5134 10.5152 10.5152 k = 0.1299 0.2251-0.0000 ( 8355 PWs) bands (ev): -41.0414 -41.0414 -40.9456 -40.9456 -40.9042 -40.9042 -40.8132 -40.8132 -40.2873 -40.2873 -40.2856 -40.2856 -7.9159 -7.9159 -7.7632 -7.7632 1.1188 1.1188 2.4813 2.4813 2.5349 2.5349 3.0948 3.0948 3.2627 3.2627 3.6086 3.6086 7.3923 7.3923 8.2403 8.2403 10.4906 10.4906 10.5009 10.5009 k = 0.1243 0.2153-0.0000 ( 8345 PWs) bands (ev): -41.0433 -41.0433 -40.9471 -40.9471 -40.9032 -40.9032 -40.8119 -40.8119 -40.2869 -40.2869 -40.2853 -40.2853 -7.9239 -7.9239 -7.7679 -7.7679 1.0860 1.0860 2.5523 2.5523 2.5940 2.5940 3.1431 3.1431 3.2701 3.2701 3.6341 3.6341 7.3407 7.3407 8.3540 8.3540 10.4706 10.4706 10.4869 10.4869 k = 0.1186 0.2055-0.0000 ( 8349 PWs) bands (ev): -41.0452 -41.0452 -40.9485 -40.9485 -40.9023 -40.9023 -40.8105 -40.8105 -40.2866 -40.2866 -40.2850 -40.2850 -7.9317 -7.9317 -7.7725 -7.7725 1.0545 1.0545 2.6238 2.6238 2.6538 2.6538 3.1907 3.1907 3.2769 3.2769 3.6592 3.6592 7.2898 7.2898 8.4657 8.4657 10.4536 10.4536 10.4730 10.4730 k = 0.1130 0.1957-0.0000 ( 8335 PWs) bands (ev): -41.0470 -41.0470 -40.9499 -40.9499 -40.9014 -40.9014 -40.8093 -40.8093 -40.2862 -40.2862 -40.2847 -40.2847 -7.9393 -7.9393 -7.7771 -7.7771 1.0245 1.0245 2.6956 2.6956 2.7139 2.7139 3.2375 3.2375 3.2832 3.2832 3.6838 3.6838 7.2397 7.2397 8.5750 8.5750 10.4401 10.4401 10.4594 10.4594 k = 0.1073 0.1859-0.0000 ( 8331 PWs) bands (ev): -41.0488 -41.0488 -40.9512 -40.9512 -40.9005 -40.9005 -40.8080 -40.8080 -40.2859 -40.2859 -40.2845 -40.2845 -7.9467 -7.9467 -7.7816 -7.7816 0.9958 0.9958 2.7672 2.7672 2.7742 2.7742 3.2827 3.2827 3.2898 3.2898 3.7077 3.7077 7.1901 7.1901 8.6815 8.6815 10.4301 10.4301 10.4459 10.4459 k = 0.1017 0.1761-0.0000 ( 8337 PWs) bands (ev): -41.0505 -41.0505 -40.9525 -40.9525 -40.8997 -40.8997 -40.8069 -40.8069 -40.2855 -40.2855 -40.2842 -40.2842 -7.9538 -7.9538 -7.7859 -7.7859 0.9686 0.9686 2.8341 2.8341 2.8388 2.8388 3.2939 3.2939 3.3290 3.3290 3.7309 3.7309 7.1412 7.1412 8.7847 8.7847 10.4239 10.4239 10.4326 10.4326 k = 0.0960 0.1664-0.0000 ( 8333 PWs) bands (ev): -41.0521 -41.0521 -40.9537 -40.9537 -40.8989 -40.8989 -40.8058 -40.8058 -40.2852 -40.2852 -40.2839 -40.2839 -7.9606 -7.9606 -7.7901 -7.7901 0.9428 0.9428 2.8942 2.8942 2.9091 2.9091 3.2988 3.2988 3.3733 3.3733 3.7532 3.7532 7.0928 7.0928 8.8841 8.8841 10.4192 10.4192 10.4217 10.4217 k = 0.0904 0.1566-0.0000 ( 8325 PWs) bands (ev): -41.0537 -41.0537 -40.9548 -40.9548 -40.8982 -40.8982 -40.8047 -40.8047 -40.2849 -40.2849 -40.2837 -40.2837 -7.9672 -7.9672 -7.7942 -7.7942 0.9184 0.9184 2.9535 2.9535 2.9782 2.9782 3.3031 3.3031 3.4169 3.4169 3.7746 3.7746 7.0451 7.0451 8.9793 8.9793 10.4059 10.4059 10.4237 10.4237 k = 0.0847 0.1468-0.0000 ( 8317 PWs) bands (ev): -41.0551 -41.0551 -40.9559 -40.9559 -40.8975 -40.8975 -40.8037 -40.8037 -40.2846 -40.2846 -40.2834 -40.2834 -7.9734 -7.9734 -7.7981 -7.7981 0.8955 0.8955 3.0120 3.0120 3.0454 3.0454 3.3071 3.3071 3.4599 3.4599 3.7950 3.7950 6.9979 6.9979 9.0699 9.0699 10.3925 10.3925 10.4300 10.4300 k = 0.0791 0.1370-0.0000 ( 8331 PWs) bands (ev): -41.0565 -41.0565 -40.9569 -40.9569 -40.8969 -40.8969 -40.8028 -40.8028 -40.2843 -40.2843 -40.2832 -40.2832 -7.9793 -7.9793 -7.8019 -7.8019 0.8740 0.8740 3.0693 3.0693 3.1103 3.1103 3.3106 3.3106 3.5022 3.5022 3.8141 3.8141 6.9514 6.9514 9.1554 9.1554 10.3790 10.3790 10.4409 10.4409 k = 0.0734 0.1272-0.0000 ( 8331 PWs) bands (ev): -41.0578 -41.0578 -40.9579 -40.9579 -40.8963 -40.8963 -40.8019 -40.8019 -40.2840 -40.2840 -40.2830 -40.2830 -7.9849 -7.9849 -7.8054 -7.8054 0.8540 0.8540 3.1252 3.1252 3.1721 3.1721 3.3138 3.3138 3.5442 3.5442 3.8319 3.8319 6.9058 6.9058 9.2355 9.2355 10.3653 10.3653 10.4564 10.4564 k = 0.0678 0.1174-0.0000 ( 8313 PWs) bands (ev): -41.0590 -41.0590 -40.9588 -40.9588 -40.8957 -40.8957 -40.8011 -40.8011 -40.2838 -40.2838 -40.2828 -40.2828 -7.9901 -7.9901 -7.8088 -7.8088 0.8355 0.8355 3.1792 3.1792 3.2303 3.2303 3.3166 3.3166 3.5858 3.5858 3.8484 3.8484 6.8611 6.8611 9.3099 9.3099 10.3513 10.3513 10.4767 10.4767 k = 0.0621 0.1076-0.0000 ( 8307 PWs) bands (ev): -41.0602 -41.0602 -40.9596 -40.9596 -40.8952 -40.8952 -40.8003 -40.8003 -40.2835 -40.2835 -40.2826 -40.2826 -7.9949 -7.9949 -7.8119 -7.8119 0.8184 0.8184 3.2312 3.2312 3.2842 3.2842 3.3192 3.3192 3.6271 3.6271 3.8634 3.8634 6.8176 6.8176 9.3784 9.3784 10.3372 10.3372 10.5018 10.5018 k = 0.0565 0.0979-0.0000 ( 8301 PWs) bands (ev): -41.0612 -41.0612 -40.9603 -40.9603 -40.8947 -40.8947 -40.7996 -40.7996 -40.2833 -40.2833 -40.2824 -40.2824 -7.9994 -7.9994 -7.8148 -7.8148 0.8028 0.8028 3.2806 3.2806 3.3208 3.3208 3.3341 3.3341 3.6680 3.6680 3.8769 3.8769 6.7757 6.7757 9.4408 9.4408 10.3228 10.3228 10.5319 10.5319 k = 0.0508 0.0881-0.0000 ( 8309 PWs) bands (ev): -41.0621 -41.0621 -40.9610 -40.9610 -40.8943 -40.8943 -40.7990 -40.7990 -40.2831 -40.2831 -40.2822 -40.2822 -8.0034 -8.0034 -7.8174 -7.8174 0.7887 0.7887 3.3227 3.3227 3.3276 3.3276 3.3779 3.3779 3.7083 3.7083 3.8888 3.8888 6.7356 6.7356 9.4970 9.4970 10.3084 10.3084 10.5669 10.5669 k = 0.0452 0.0783-0.0000 ( 8305 PWs) bands (ev): -41.0630 -41.0630 -40.9617 -40.9617 -40.8940 -40.8940 -40.7985 -40.7985 -40.2829 -40.2829 -40.2821 -40.2821 -8.0071 -8.0071 -7.8198 -7.8198 0.7760 0.7760 3.3247 3.3247 3.3706 3.3706 3.4167 3.4167 3.7476 3.7476 3.8991 3.8991 6.6978 6.6978 9.5470 9.5470 10.2941 10.2941 10.6067 10.6067 k = 0.0395 0.0685-0.0000 ( 8315 PWs) bands (ev): -41.0637 -41.0637 -40.9622 -40.9622 -40.8936 -40.8936 -40.7980 -40.7980 -40.2828 -40.2828 -40.2819 -40.2819 -8.0104 -8.0104 -7.8220 -7.8220 0.7649 0.7649 3.3261 3.3261 3.4103 3.4103 3.4503 3.4503 3.7851 3.7851 3.9078 3.9078 6.6627 6.6627 9.5908 9.5908 10.2802 10.2802 10.6515 10.6515 k = 0.0339 0.0587-0.0000 ( 8313 PWs) bands (ev): -41.0644 -41.0644 -40.9627 -40.9627 -40.8934 -40.8934 -40.7975 -40.7975 -40.2826 -40.2826 -40.2818 -40.2818 -8.0132 -8.0132 -7.8238 -7.8238 0.7552 0.7552 3.3273 3.3273 3.4459 3.4459 3.4788 3.4788 3.8201 3.8201 3.9149 3.9149 6.6309 6.6309 9.6284 9.6284 10.2669 10.2669 10.7011 10.7011 k = 0.0282 0.0489-0.0000 ( 8309 PWs) bands (ev): -41.0649 -41.0649 -40.9631 -40.9631 -40.8931 -40.8931 -40.7972 -40.7972 -40.2825 -40.2825 -40.2817 -40.2817 -8.0156 -8.0156 -7.8254 -7.8254 0.7470 0.7470 3.3283 3.3283 3.4769 3.4769 3.5025 3.5025 3.8516 3.8516 3.9206 3.9206 6.6027 6.6027 9.6600 9.6600 10.2547 10.2547 10.7553 10.7553 k = 0.0226 0.0391-0.0000 ( 8305 PWs) bands (ev): -41.0654 -41.0654 -40.9634 -40.9634 -40.8929 -40.8929 -40.7969 -40.7969 -40.2824 -40.2824 -40.2816 -40.2816 -8.0176 -8.0176 -7.8268 -7.8268 0.7403 0.7403 3.3291 3.3291 3.5029 3.5029 3.5217 3.5217 3.8787 3.8787 3.9251 3.9251 6.5788 6.5788 9.6857 9.6857 10.2440 10.2440 10.8140 10.8140 k = 0.0169 0.0294-0.0000 ( 8299 PWs) bands (ev): -41.0658 -41.0658 -40.9637 -40.9637 -40.8928 -40.8928 -40.7966 -40.7966 -40.2824 -40.2824 -40.2815 -40.2815 -8.0191 -8.0191 -7.8278 -7.8278 0.7351 0.7351 3.3297 3.3297 3.5233 3.5233 3.5367 3.5367 3.9004 3.9004 3.9285 3.9285 6.5597 6.5597 9.7055 9.7055 10.2351 10.2351 10.8770 10.8770 k = 0.0113 0.0196-0.0000 ( 8291 PWs) bands (ev): -41.0660 -41.0660 -40.9639 -40.9639 -40.8926 -40.8926 -40.7965 -40.7965 -40.2823 -40.2823 -40.2815 -40.2815 -8.0203 -8.0203 -7.8285 -7.8285 0.7314 0.7314 3.3301 3.3301 3.5375 3.5375 3.5480 3.5480 3.9158 3.9158 3.9315 3.9315 6.5456 6.5456 9.7196 9.7196 10.2285 10.2285 10.9437 10.9437 k = 0.0056 0.0098-0.0000 ( 8291 PWs) bands (ev): -41.0662 -41.0662 -40.9640 -40.9640 -40.8926 -40.8926 -40.7964 -40.7964 -40.2823 -40.2823 -40.2815 -40.2815 -8.0209 -8.0209 -7.8290 -7.8290 0.7291 0.7291 3.3303 3.3303 3.5456 3.5456 3.5553 3.5553 3.9238 3.9238 3.9346 3.9346 6.5371 6.5371 9.7280 9.7280 10.2244 10.2244 11.0129 11.0129 k = 0.0000 0.0000 0.0000 ( 8307 PWs) bands (ev): -41.0662 -41.0662 -40.9640 -40.9640 -40.8926 -40.8926 -40.7964 -40.7964 -40.2823 -40.2823 -40.2815 -40.2815 -8.0211 -8.0211 -7.8291 -7.8291 0.7284 0.7284 3.3304 3.3304 3.5481 3.5481 3.5578 3.5578 3.9259 3.9259 3.9363 3.9363 6.5342 6.5342 9.7308 9.7308 10.2230 10.2230 11.0653 11.0654 k = 0.0000 0.0000 0.0000 ( 8307 PWs) bands (ev): -41.0662 -41.0662 -40.9640 -40.9640 -40.8926 -40.8926 -40.7964 -40.7964 -40.2823 -40.2823 -40.2815 -40.2815 -8.0211 -8.0211 -7.8291 -7.8291 0.7284 0.7284 3.3304 3.3304 3.5481 3.5481 3.5578 3.5578 3.9259 3.9259 3.9363 3.9363 6.5342 6.5342 9.7308 9.7308 10.2230 10.2230 11.0648 11.0650 k = 0.0000 0.0000 0.0112 ( 8289 PWs) bands (ev): -41.0661 -41.0661 -40.9642 -40.9642 -40.8923 -40.8923 -40.7964 -40.7964 -40.2823 -40.2823 -40.2814 -40.2814 -8.0210 -8.0210 -7.8293 -7.8293 0.7301 0.7301 3.3257 3.3257 3.5485 3.5485 3.5582 3.5582 3.9255 3.9255 3.9359 3.9359 6.5386 6.5386 9.7188 9.7188 10.2347 10.2347 11.0640 11.0645 k = 0.0000 0.0000 0.0225 ( 8289 PWs) bands (ev): -41.0659 -41.0659 -40.9649 -40.9649 -40.8917 -40.8917 -40.7966 -40.7966 -40.2823 -40.2823 -40.2815 -40.2815 -8.0204 -8.0204 -7.8299 -7.8299 0.7353 0.7353 3.3116 3.3116 3.5496 3.5496 3.5593 3.5593 3.9244 3.9244 3.9348 3.9348 6.5517 6.5517 9.6857 9.6857 10.2667 10.2667 11.0616 11.0620 k = 0.0000 0.0000 0.0337 ( 8301 PWs) bands (ev): -41.0656 -41.0656 -40.9661 -40.9661 -40.8906 -40.8906 -40.7969 -40.7969 -40.2822 -40.2822 -40.2815 -40.2815 -8.0195 -8.0195 -7.8309 -7.8309 0.7440 0.7440 3.2883 3.2883 3.5515 3.5515 3.5611 3.5611 3.9225 3.9225 3.9330 3.9330 6.5733 6.5733 9.6376 9.6376 10.3131 10.3131 11.0580 11.0580 k = 0.0000 0.0000 0.0450 ( 8301 PWs) bands (ev): -41.0652 -41.0652 -40.9676 -40.9676 -40.8891 -40.8891 -40.7973 -40.7973 -40.2822 -40.2822 -40.2815 -40.2815 -8.0183 -8.0183 -7.8323 -7.8323 0.7562 0.7562 3.2565 3.2565 3.5540 3.5540 3.5637 3.5637 3.9200 3.9200 3.9304 3.9304 6.6028 6.6028 9.5799 9.5799 10.3684 10.3684 11.0523 11.0523 k = 0.0000 0.0000 0.0562 ( 8313 PWs) bands (ev): -41.0646 -41.0646 -40.9695 -40.9695 -40.8873 -40.8873 -40.7978 -40.7978 -40.2822 -40.2822 -40.2815 -40.2815 -8.0167 -8.0167 -7.8341 -7.8341 0.7717 0.7717 3.2166 3.2166 3.5573 3.5573 3.5670 3.5670 3.9167 3.9167 3.9271 3.9271 6.6397 6.6397 9.5161 9.5161 10.4289 10.4289 11.0461 11.0462 k = 0.0000 0.0000 0.0675 ( 8325 PWs) bands (ev): -41.0639 -41.0639 -40.9716 -40.9716 -40.8852 -40.8852 -40.7985 -40.7985 -40.2822 -40.2822 -40.2815 -40.2815 -8.0148 -8.0148 -7.8363 -7.8363 0.7907 0.7907 3.1695 3.1695 3.5613 3.5613 3.5710 3.5710 3.9127 3.9127 3.9231 3.9231 6.6833 6.6833 9.4485 9.4485 10.4924 10.4924 11.0384 11.0386 k = 0.0000 0.0000 0.0787 ( 8325 PWs) bands (ev): -41.0631 -41.0631 -40.9740 -40.9740 -40.8829 -40.8829 -40.7992 -40.7992 -40.2822 -40.2822 -40.2815 -40.2815 -8.0125 -8.0125 -7.8388 -7.8388 0.8131 0.8131 3.1157 3.1157 3.5660 3.5660 3.5757 3.5757 3.9080 3.9080 3.9184 3.9184 6.7329 6.7329 9.3784 9.3784 10.5574 10.5574 11.0304 11.0307 k = 0.0000 0.0000 0.0900 ( 8331 PWs) bands (ev): -41.0621 -41.0621 -40.9767 -40.9767 -40.8803 -40.8803 -40.8001 -40.8001 -40.2822 -40.2822 -40.2815 -40.2815 -8.0099 -8.0099 -7.8417 -7.8417 0.8389 0.8389 3.0562 3.0562 3.5713 3.5713 3.5811 3.5811 3.9026 3.9026 3.9130 3.9130 6.7877 6.7877 9.3066 9.3066 10.6229 10.6229 11.0226 11.0226 k = 0.0000 0.0000 0.1012 ( 8337 PWs) bands (ev): -41.0610 -41.0610 -40.9794 -40.9794 -40.8777 -40.8777 -40.8011 -40.8011 -40.2822 -40.2822 -40.2815 -40.2815 -8.0070 -8.0070 -7.8450 -7.8450 0.8680 0.8680 2.9917 2.9917 3.5774 3.5774 3.5871 3.5871 3.8966 3.8966 3.9070 3.9070 6.8470 6.8470 9.2336 9.2336 10.6883 10.6883 11.0143 11.0148 k = 0.0000 0.0000 0.1125 ( 8319 PWs) bands (ev): -41.0598 -41.0598 -40.9823 -40.9823 -40.8749 -40.8749 -40.8022 -40.8022 -40.2822 -40.2822 -40.2815 -40.2815 -8.0038 -8.0038 -7.8485 -7.8485 0.9004 0.9004 2.9229 2.9229 3.5840 3.5840 3.5938 3.5938 3.8899 3.8899 3.9003 3.9003 6.9102 6.9102 9.1599 9.1599 10.7531 10.7531 11.0071 11.0071 k = 0.0000 0.0000 0.1237 ( 8319 PWs) bands (ev): -41.0585 -41.0585 -40.9853 -40.9853 -40.8720 -40.8720 -40.8034 -40.8034 -40.2822 -40.2822 -40.2815 -40.2815 -8.0003 -8.0003 -7.8524 -7.8524 0.9360 0.9360 2.8505 2.8505 3.5912 3.5912 3.6010 3.6010 3.8827 3.8827 3.8931 3.8931 6.9766 6.9766 9.0856 9.0856 10.8168 10.8168 10.9999 11.0002 k = 0.0000 0.0000 0.1350 ( 8319 PWs) bands (ev): -41.0570 -41.0570 -40.9884 -40.9884 -40.8690 -40.8690 -40.8047 -40.8047 -40.2822 -40.2822 -40.2816 -40.2816 -7.9965 -7.9965 -7.8566 -7.8566 0.9749 0.9749 2.7751 2.7751 3.5991 3.5991 3.6088 3.6088 3.8748 3.8748 3.8852 3.8852 7.0456 7.0456 9.0110 9.0110 10.8791 10.8791 10.9938 10.9941 k = 0.0000 0.0000 0.1462 ( 8307 PWs) bands (ev): -41.0555 -41.0555 -40.9915 -40.9915 -40.8660 -40.8660 -40.8062 -40.8062 -40.2821 -40.2821 -40.2816 -40.2816 -7.9924 -7.9924 -7.8611 -7.8611 1.0168 1.0168 2.6975 2.6975 3.6074 3.6074 3.6172 3.6172 3.8664 3.8664 3.8768 3.8768 7.1167 7.1167 8.9360 8.9360 10.9397 10.9397 10.9892 10.9892 k = 0.0000 0.0000 0.1575 ( 8301 PWs) bands (ev): -41.0538 -41.0538 -40.9947 -40.9947 -40.8630 -40.8630 -40.8077 -40.8077 -40.2821 -40.2821 -40.2816 -40.2816 -7.9881 -7.9881 -7.8658 -7.8658 1.0619 1.0619 2.6180 2.6180 3.6163 3.6163 3.6261 3.6261 3.8575 3.8575 3.8679 3.8679 7.1895 7.1895 8.8609 8.8609 10.9861 10.9862 10.9982 10.9982 k = 0.0000 0.0000 0.1687 ( 8301 PWs) bands (ev): -41.0520 -41.0520 -40.9979 -40.9979 -40.8599 -40.8599 -40.8094 -40.8094 -40.2821 -40.2821 -40.2816 -40.2816 -7.9835 -7.9835 -7.8707 -7.8707 1.1100 1.1100 2.5373 2.5373 3.6257 3.6257 3.6355 3.6355 3.8481 3.8481 3.8585 3.8585 7.2637 7.2637 8.7856 8.7856 10.9841 10.9841 10.9845 10.9845 k = 0.0000 0.0000 0.1800 ( 8301 PWs) bands (ev): -41.0501 -41.0501 -41.0011 -41.0011 -40.8569 -40.8569 -40.8111 -40.8111 -40.2821 -40.2821 -40.2816 -40.2816 -7.9787 -7.9787 -7.8759 -7.8759 1.1610 1.1610 2.4557 2.4557 3.6355 3.6355 3.6453 3.6453 3.8383 3.8383 3.8486 3.8486 7.3387 7.3387 8.7103 8.7103 10.9842 10.9842 10.9846 10.9846 k = 0.0000 0.0000 0.1912 ( 8301 PWs) bands (ev): -41.0481 -41.0481 -41.0043 -41.0043 -40.8539 -40.8539 -40.8130 -40.8130 -40.2821 -40.2821 -40.2817 -40.2817 -7.9736 -7.9736 -7.8813 -7.8813 1.2149 1.2149 2.3736 2.3736 3.6457 3.6457 3.6556 3.6556 3.8281 3.8281 3.8384 3.8384 7.4146 7.4146 8.6348 8.6348 10.9862 10.9862 10.9866 10.9866 k = 0.0000 0.0000 0.2025 ( 8337 PWs) bands (ev): -41.0459 -41.0459 -41.0075 -41.0075 -40.8509 -40.8509 -40.8149 -40.8149 -40.2821 -40.2821 -40.2817 -40.2817 -7.9684 -7.9684 -7.8868 -7.8868 1.2716 1.2716 2.2915 2.2915 3.6562 3.6562 3.6662 3.6662 3.8175 3.8175 3.8278 3.8278 7.4909 7.4909 8.5592 8.5592 10.9903 10.9903 10.9907 10.9907 k = 0.0000 0.0000 0.2137 ( 8343 PWs) bands (ev): -41.0437 -41.0437 -41.0106 -41.0106 -40.8479 -40.8479 -40.8170 -40.8170 -40.2820 -40.2820 -40.2817 -40.2817 -7.9630 -7.9630 -7.8924 -7.8924 1.3310 1.3310 2.2096 2.2096 3.6671 3.6671 3.6771 3.6771 3.8066 3.8066 3.8168 3.8168 7.5675 7.5675 8.4836 8.4836 10.9965 10.9965 10.9969 10.9969 k = 0.0000 0.0000 0.2250 ( 8354 PWs) bands (ev): -41.0414 -41.0414 -41.0137 -41.0137 -40.8450 -40.8450 -40.8191 -40.8191 -40.2820 -40.2820 -40.2817 -40.2817 -7.9575 -7.9575 -7.8982 -7.8982 1.3930 1.3930 2.1282 2.1282 3.6783 3.6783 3.6883 3.6883 3.7954 3.7954 3.8056 3.8056 7.6442 7.6442 8.4079 8.4079 11.0049 11.0049 11.0053 11.0053 k = 0.0000 0.0000 0.2362 ( 8354 PWs) bands (ev): -41.0390 -41.0390 -41.0168 -41.0168 -40.8421 -40.8421 -40.8214 -40.8214 -40.2820 -40.2820 -40.2818 -40.2818 -7.9518 -7.9518 -7.9041 -7.9041 1.4575 1.4575 2.0477 2.0477 3.6897 3.6897 3.6997 3.6997 3.7840 3.7840 3.7942 3.7942 7.7211 7.7211 8.3321 8.3321 11.0156 11.0156 11.0160 11.0160 k = 0.0000 0.0000 0.2475 ( 8354 PWs) bands (ev): -41.0365 -41.0365 -41.0198 -41.0198 -40.8393 -40.8393 -40.8237 -40.8237 -40.2820 -40.2820 -40.2818 -40.2818 -7.9460 -7.9460 -7.9101 -7.9101 1.5244 1.5244 1.9682 1.9682 3.7013 3.7013 3.7114 3.7114 3.7723 3.7723 3.7825 3.7825 7.7979 7.7979 8.2562 8.2562 11.0285 11.0285 11.0289 11.0289 k = 0.0000 0.0000 0.2587 ( 8342 PWs) bands (ev): -41.0339 -41.0339 -41.0227 -41.0227 -40.8365 -40.8365 -40.8261 -40.8261 -40.2819 -40.2819 -40.2818 -40.2818 -7.9401 -7.9401 -7.9161 -7.9161 1.5935 1.5935 1.8899 1.8899 3.7131 3.7131 3.7231 3.7231 3.7606 3.7606 3.7707 3.7707 7.8746 7.8746 8.1802 8.1802 11.0437 11.0437 11.0441 11.0441 k = 0.0000 0.0000 0.2700 ( 8366 PWs) bands (ev): -41.0312 -41.0312 -41.0257 -41.0257 -40.8338 -40.8338 -40.8286 -40.8286 -40.2819 -40.2819 -40.2818 -40.2818 -7.9341 -7.9341 -7.9221 -7.9221 1.6648 1.6648 1.8132 1.8132 3.7249 3.7249 3.7350 3.7350 3.7487 3.7487 3.7589 3.7589 7.9512 7.9512 8.1040 8.1040 11.0611 11.0611 11.0615 11.0615 k = 0.0000 0.0000 0.2812 ( 8366 PWs) bands (ev): -41.0285 -41.0285 -41.0285 -41.0285 -40.8312 -40.8312 -40.8312 -40.8312 -40.2819 -40.2819 -40.2819 -40.2819 -7.9281 -7.9281 -7.9281 -7.9281 1.7381 1.7381 1.7381 1.7381 3.7368 3.7368 3.7368 3.7368 3.7469 3.7469 3.7469 3.7469 8.0277 8.0277 8.0277 8.0277 11.0808 11.0809 11.0810 11.0811 k = 0.0000 0.0000 0.2812 ( 8366 PWs) bands (ev): -41.0285 -41.0285 -41.0285 -41.0285 -40.8312 -40.8312 -40.8312 -40.8312 -40.2819 -40.2819 -40.2819 -40.2819 -7.9281 -7.9281 -7.9281 -7.9281 1.7381 1.7381 1.7381 1.7381 3.7368 3.7368 3.7368 3.7368 3.7469 3.7469 3.7469 3.7469 8.0277 8.0277 8.0277 8.0277 11.0808 11.0809 11.0810 11.0811 k = 0.0098 0.0057 0.2812 ( 8362 PWs) bands (ev): -41.0284 -41.0284 -41.0284 -41.0284 -40.8312 -40.8312 -40.8312 -40.8312 -40.2819 -40.2819 -40.2819 -40.2819 -7.9280 -7.9280 -7.9280 -7.9280 1.7385 1.7385 1.7385 1.7385 3.7348 3.7348 3.7348 3.7348 3.7450 3.7450 3.7450 3.7450 8.0282 8.0282 8.0282 8.0282 11.0664 11.0664 11.0664 11.0664 k = 0.0196 0.0113 0.2812 ( 8362 PWs) bands (ev): -41.0283 -41.0283 -41.0283 -41.0283 -40.8313 -40.8313 -40.8313 -40.8313 -40.2819 -40.2819 -40.2819 -40.2819 -7.9274 -7.9274 -7.9274 -7.9274 1.7395 1.7395 1.7395 1.7395 3.7280 3.7280 3.7280 3.7280 3.7397 3.7397 3.7397 3.7397 8.0297 8.0297 8.0297 8.0297 11.0295 11.0295 11.0295 11.0295 k = 0.0294 0.0170 0.2812 ( 8346 PWs) bands (ev): -41.0281 -41.0281 -41.0281 -41.0281 -40.8314 -40.8314 -40.8314 -40.8314 -40.2820 -40.2820 -40.2820 -40.2820 -7.9264 -7.9264 -7.9264 -7.9264 1.7414 1.7414 1.7414 1.7414 3.7156 3.7156 3.7156 3.7156 3.7323 3.7323 3.7323 3.7323 8.0321 8.0321 8.0321 8.0321 10.9816 10.9816 10.9816 10.9816 k = 0.0392 0.0226 0.2812 ( 8346 PWs) bands (ev): -41.0278 -41.0278 -41.0278 -41.0278 -40.8316 -40.8316 -40.8316 -40.8316 -40.2820 -40.2820 -40.2820 -40.2820 -7.9251 -7.9251 -7.9251 -7.9251 1.7439 1.7439 1.7439 1.7439 3.6975 3.6975 3.6975 3.6975 3.7229 3.7229 3.7229 3.7229 8.0352 8.0352 8.0352 8.0352 10.9297 10.9297 10.9297 10.9297 k = 0.0490 0.0283 0.2812 ( 8344 PWs) bands (ev): -41.0274 -41.0274 -41.0274 -41.0274 -40.8318 -40.8318 -40.8318 -40.8318 -40.2821 -40.2821 -40.2821 -40.2821 -7.9234 -7.9234 -7.9234 -7.9234 1.7471 1.7471 1.7471 1.7471 3.6740 3.6740 3.6740 3.6740 3.7115 3.7115 3.7115 3.7115 8.0387 8.0387 8.0387 8.0387 10.8776 10.8776 10.8776 10.8776 k = 0.0588 0.0340 0.2812 ( 8328 PWs) bands (ev): -41.0269 -41.0269 -41.0269 -41.0269 -40.8321 -40.8321 -40.8321 -40.8321 -40.2822 -40.2822 -40.2822 -40.2822 -7.9214 -7.9214 -7.9214 -7.9214 1.7509 1.7509 1.7509 1.7509 3.6456 3.6456 3.6456 3.6456 3.6979 3.6979 3.6979 3.6979 8.0425 8.0425 8.0425 8.0425 10.8272 10.8272 10.8272 10.8272 k = 0.0686 0.0396 0.2812 ( 8330 PWs) bands (ev): -41.0264 -41.0264 -41.0264 -41.0264 -40.8324 -40.8324 -40.8324 -40.8324 -40.2824 -40.2824 -40.2824 -40.2824 -7.9190 -7.9190 -7.9190 -7.9190 1.7554 1.7554 1.7554 1.7554 3.6127 3.6127 3.6127 3.6127 3.6822 3.6822 3.6822 3.6822 8.0460 8.0460 8.0460 8.0460 10.7796 10.7796 10.7796 10.7796 k = 0.0784 0.0453 0.2812 ( 8330 PWs) bands (ev): -41.0258 -41.0258 -41.0258 -41.0258 -40.8328 -40.8328 -40.8328 -40.8328 -40.2825 -40.2825 -40.2825 -40.2825 -7.9162 -7.9162 -7.9162 -7.9162 1.7605 1.7605 1.7605 1.7605 3.5756 3.5756 3.5756 3.5756 3.6644 3.6644 3.6644 3.6644 8.0489 8.0489 8.0489 8.0489 10.7355 10.7355 10.7355 10.7355 k = 0.0882 0.0509 0.2812 ( 8322 PWs) bands (ev): -41.0250 -41.0250 -41.0250 -41.0250 -40.8332 -40.8332 -40.8332 -40.8332 -40.2827 -40.2827 -40.2827 -40.2827 -7.9131 -7.9131 -7.9131 -7.9131 1.7661 1.7661 1.7661 1.7661 3.5347 3.5347 3.5347 3.5347 3.6447 3.6447 3.6447 3.6447 8.0509 8.0509 8.0509 8.0509 10.6953 10.6953 10.6953 10.6953 k = 0.0980 0.0566 0.2812 ( 8326 PWs) bands (ev): -41.0243 -41.0243 -41.0243 -41.0243 -40.8337 -40.8337 -40.8337 -40.8337 -40.2829 -40.2829 -40.2829 -40.2829 -7.9097 -7.9097 -7.9097 -7.9097 1.7722 1.7722 1.7722 1.7722 3.4904 3.4904 3.4904 3.4904 3.6232 3.6232 3.6232 3.6232 8.0515 8.0515 8.0515 8.0515 10.6594 10.6594 10.6594 10.6594 k = 0.1078 0.0623 0.2812 ( 8328 PWs) bands (ev): -41.0234 -41.0234 -41.0234 -41.0234 -40.8343 -40.8343 -40.8343 -40.8343 -40.2831 -40.2831 -40.2831 -40.2831 -7.9060 -7.9060 -7.9060 -7.9060 1.7786 1.7786 1.7786 1.7786 3.4432 3.4432 3.4432 3.4432 3.5999 3.5999 3.5999 3.5999 8.0503 8.0503 8.0503 8.0503 10.6281 10.6281 10.6281 10.6281 k = 0.1176 0.0679 0.2812 ( 8336 PWs) bands (ev): -41.0225 -41.0225 -41.0225 -41.0225 -40.8349 -40.8349 -40.8349 -40.8349 -40.2833 -40.2833 -40.2833 -40.2833 -7.9019 -7.9019 -7.9019 -7.9019 1.7854 1.7854 1.7854 1.7854 3.3935 3.3935 3.3935 3.3935 3.5751 3.5751 3.5751 3.5751 8.0470 8.0470 8.0470 8.0470 10.6016 10.6016 10.6016 10.6016 k = 0.1275 0.0736 0.2812 ( 8336 PWs) bands (ev): -41.0215 -41.0215 -41.0215 -41.0215 -40.8355 -40.8355 -40.8355 -40.8355 -40.2835 -40.2835 -40.2835 -40.2835 -7.8975 -7.8975 -7.8975 -7.8975 1.7925 1.7925 1.7925 1.7925 3.3416 3.3416 3.3416 3.3416 3.5489 3.5489 3.5489 3.5489 8.0412 8.0412 8.0412 8.0412 10.5800 10.5800 10.5800 10.5800 k = 0.1373 0.0792 0.2812 ( 8340 PWs) bands (ev): -41.0204 -41.0204 -41.0204 -41.0204 -40.8362 -40.8362 -40.8362 -40.8362 -40.2838 -40.2838 -40.2838 -40.2838 -7.8929 -7.8929 -7.8929 -7.8929 1.7996 1.7996 1.7996 1.7996 3.2882 3.2882 3.2882 3.2882 3.5214 3.5214 3.5214 3.5214 8.0326 8.0326 8.0326 8.0326 10.5633 10.5633 10.5633 10.5633 k = 0.1471 0.0849 0.2812 ( 8340 PWs) bands (ev): -41.0192 -41.0192 -41.0192 -41.0192 -40.8369 -40.8369 -40.8369 -40.8369 -40.2840 -40.2840 -40.2840 -40.2840 -7.8880 -7.8880 -7.8880 -7.8880 1.8066 1.8066 1.8066 1.8066 3.2335 3.2335 3.2335 3.2335 3.4927 3.4927 3.4927 3.4927 8.0209 8.0209 8.0209 8.0209 10.5515 10.5515 10.5515 10.5515 k = 0.1569 0.0906 0.2812 ( 8340 PWs) bands (ev): -41.0180 -41.0180 -41.0180 -41.0180 -40.8377 -40.8377 -40.8377 -40.8377 -40.2843 -40.2843 -40.2843 -40.2843 -7.8828 -7.8828 -7.8828 -7.8828 1.8135 1.8135 1.8135 1.8135 3.1782 3.1782 3.1782 3.1782 3.4632 3.4632 3.4632 3.4632 8.0061 8.0061 8.0061 8.0061 10.5447 10.5447 10.5447 10.5447 k = 0.1667 0.0962 0.2812 ( 8332 PWs) bands (ev): -41.0167 -41.0167 -41.0167 -41.0167 -40.8385 -40.8385 -40.8385 -40.8385 -40.2846 -40.2846 -40.2846 -40.2846 -7.8774 -7.8774 -7.8774 -7.8774 1.8200 1.8200 1.8200 1.8200 3.1227 3.1227 3.1227 3.1227 3.4327 3.4327 3.4327 3.4327 7.9879 7.9879 7.9879 7.9879 10.5426 10.5426 10.5426 10.5426 k = 0.1765 0.1019 0.2812 ( 8332 PWs) bands (ev): -41.0154 -41.0154 -41.0154 -41.0154 -40.8393 -40.8393 -40.8393 -40.8393 -40.2849 -40.2849 -40.2849 -40.2849 -7.8718 -7.8718 -7.8718 -7.8718 1.8259 1.8259 1.8259 1.8259 3.0675 3.0675 3.0675 3.0675 3.4017 3.4017 3.4017 3.4017 7.9664 7.9664 7.9664 7.9664 10.5452 10.5452 10.5452 10.5452 k = 0.1863 0.1075 0.2812 ( 8336 PWs) bands (ev): -41.0140 -41.0140 -41.0140 -41.0140 -40.8402 -40.8402 -40.8402 -40.8402 -40.2852 -40.2852 -40.2852 -40.2852 -7.8659 -7.8659 -7.8659 -7.8659 1.8309 1.8309 1.8309 1.8309 3.0132 3.0132 3.0132 3.0132 3.3701 3.3701 3.3701 3.3701 7.9416 7.9416 7.9416 7.9416 10.5522 10.5522 10.5522 10.5522 k = 0.1961 0.1132 0.2812 ( 8336 PWs) bands (ev): -41.0126 -41.0126 -41.0126 -41.0126 -40.8412 -40.8412 -40.8412 -40.8412 -40.2855 -40.2855 -40.2855 -40.2855 -7.8599 -7.8599 -7.8599 -7.8599 1.8347 1.8347 1.8347 1.8347 2.9602 2.9602 2.9602 2.9602 3.3381 3.3381 3.3381 3.3381 7.9136 7.9136 7.9136 7.9136 10.5633 10.5633 10.5633 10.5633 k = 0.2059 0.1189 0.2812 ( 8336 PWs) bands (ev): -41.0111 -41.0111 -41.0111 -41.0111 -40.8422 -40.8422 -40.8422 -40.8422 -40.2858 -40.2858 -40.2858 -40.2858 -7.8537 -7.8537 -7.8537 -7.8537 1.8370 1.8370 1.8370 1.8370 2.9092 2.9092 2.9092 2.9092 3.3059 3.3059 3.3059 3.3059 7.8825 7.8825 7.8825 7.8825 10.5782 10.5782 10.5782 10.5782 k = 0.2157 0.1245 0.2812 ( 8342 PWs) bands (ev): -41.0096 -41.0096 -41.0096 -41.0096 -40.8432 -40.8432 -40.8432 -40.8432 -40.2861 -40.2861 -40.2861 -40.2861 -7.8474 -7.8474 -7.8474 -7.8474 1.8375 1.8375 1.8375 1.8375 2.8606 2.8606 2.8606 2.8606 3.2736 3.2736 3.2736 3.2736 7.8485 7.8485 7.8485 7.8485 10.5966 10.5966 10.5966 10.5966 k = 0.2255 0.1302 0.2812 ( 8330 PWs) bands (ev): -41.0080 -41.0080 -41.0080 -41.0080 -40.8442 -40.8442 -40.8442 -40.8442 -40.2865 -40.2865 -40.2865 -40.2865 -7.8410 -7.8410 -7.8410 -7.8410 1.8358 1.8358 1.8358 1.8358 2.8152 2.8152 2.8152 2.8152 3.2413 3.2413 3.2413 3.2413 7.8119 7.8119 7.8119 7.8119 10.6182 10.6182 10.6182 10.6182 k = 0.2353 0.1358 0.2812 ( 8326 PWs) bands (ev): -41.0064 -41.0064 -41.0064 -41.0064 -40.8453 -40.8453 -40.8453 -40.8453 -40.2868 -40.2868 -40.2868 -40.2868 -7.8345 -7.8345 -7.8345 -7.8345 1.8315 1.8315 1.8315 1.8315 2.7735 2.7735 2.7735 2.7735 3.2091 3.2091 3.2091 3.2091 7.7728 7.7728 7.7728 7.7728 10.6425 10.6425 10.6425 10.6425 k = 0.2451 0.1415 0.2812 ( 8334 PWs) bands (ev): -41.0047 -41.0047 -41.0047 -41.0047 -40.8464 -40.8464 -40.8464 -40.8464 -40.2871 -40.2871 -40.2871 -40.2871 -7.8279 -7.8279 -7.8279 -7.8279 1.8242 1.8242 1.8242 1.8242 2.7359 2.7359 2.7359 2.7359 3.1772 3.1772 3.1772 3.1772 7.7317 7.7317 7.7317 7.7317 10.6693 10.6693 10.6693 10.6693 k = 0.2549 0.1472 0.2812 ( 8354 PWs) bands (ev): -41.0031 -41.0031 -41.0031 -41.0031 -40.8475 -40.8475 -40.8475 -40.8475 -40.2875 -40.2875 -40.2875 -40.2875 -7.8212 -7.8212 -7.8212 -7.8212 1.8136 1.8136 1.8136 1.8136 2.7028 2.7028 2.7028 2.7028 3.1457 3.1457 3.1457 3.1457 7.6887 7.6887 7.6887 7.6887 10.6981 10.6981 10.6981 10.6981 k = 0.2647 0.1528 0.2812 ( 8352 PWs) bands (ev): -41.0014 -41.0014 -41.0014 -41.0014 -40.8487 -40.8487 -40.8487 -40.8487 -40.2878 -40.2878 -40.2878 -40.2878 -7.8146 -7.8146 -7.8146 -7.8146 1.7997 1.7997 1.7997 1.7997 2.6747 2.6747 2.6747 2.6747 3.1146 3.1146 3.1146 3.1146 7.6441 7.6441 7.6441 7.6441 10.7285 10.7285 10.7285 10.7285 k = 0.2745 0.1585 0.2812 ( 8344 PWs) bands (ev): -40.9996 -40.9996 -40.9996 -40.9996 -40.8499 -40.8499 -40.8499 -40.8499 -40.2881 -40.2881 -40.2881 -40.2881 -7.8079 -7.8079 -7.8079 -7.8079 1.7823 1.7823 1.7823 1.7823 2.6517 2.6517 2.6517 2.6517 3.0841 3.0841 3.0841 3.0841 7.5984 7.5984 7.5984 7.5984 10.7604 10.7604 10.7604 10.7604 k = 0.2843 0.1641 0.2812 ( 8348 PWs) bands (ev): -40.9979 -40.9979 -40.9979 -40.9979 -40.8511 -40.8511 -40.8511 -40.8511 -40.2885 -40.2885 -40.2885 -40.2885 -7.8013 -7.8013 -7.8013 -7.8013 1.7615 1.7615 1.7615 1.7615 2.6336 2.6336 2.6336 2.6336 3.0543 3.0543 3.0543 3.0543 7.5517 7.5517 7.5517 7.5517 10.7932 10.7932 10.7932 10.7932 k = 0.2941 0.1698 0.2812 ( 8358 PWs) bands (ev): -40.9962 -40.9962 -40.9962 -40.9962 -40.8523 -40.8523 -40.8523 -40.8523 -40.2888 -40.2888 -40.2888 -40.2888 -7.7947 -7.7947 -7.7947 -7.7947 1.7378 1.7378 1.7378 1.7378 2.6203 2.6203 2.6203 2.6203 3.0252 3.0252 3.0252 3.0252 7.5044 7.5044 7.5044 7.5044 10.8266 10.8266 10.8266 10.8266 k = 0.3039 0.1755 0.2812 ( 8372 PWs) bands (ev): -40.9945 -40.9945 -40.9945 -40.9945 -40.8535 -40.8535 -40.8535 -40.8535 -40.2891 -40.2891 -40.2891 -40.2891 -7.7882 -7.7882 -7.7882 -7.7882 1.7114 1.7114 1.7114 1.7114 2.6115 2.6115 2.6115 2.6115 2.9970 2.9970 2.9970 2.9970 7.4568 7.4568 7.4568 7.4568 10.8605 10.8605 10.8605 10.8605 k = 0.3137 0.1811 0.2812 ( 8368 PWs) bands (ev): -40.9927 -40.9927 -40.9927 -40.9927 -40.8547 -40.8547 -40.8547 -40.8547 -40.2894 -40.2894 -40.2894 -40.2894 -7.7819 -7.7819 -7.7819 -7.7819 1.6830 1.6830 1.6830 1.6830 2.6066 2.6066 2.6066 2.6066 2.9697 2.9697 2.9697 2.9697 7.4092 7.4092 7.4092 7.4092 10.8944 10.8944 10.8944 10.8944 k = 0.3235 0.1868 0.2812 ( 8372 PWs) bands (ev): -40.9910 -40.9910 -40.9910 -40.9910 -40.8559 -40.8559 -40.8559 -40.8559 -40.2898 -40.2898 -40.2898 -40.2898 -7.7756 -7.7756 -7.7756 -7.7756 1.6529 1.6529 1.6529 1.6529 2.6053 2.6053 2.6053 2.6053 2.9434 2.9434 2.9434 2.9434 7.3619 7.3619 7.3619 7.3619 10.9280 10.9280 10.9280 10.9280 k = 0.3333 0.1925 0.2812 ( 8374 PWs) bands (ev): -40.9893 -40.9893 -40.9893 -40.9893 -40.8571 -40.8571 -40.8571 -40.8571 -40.2901 -40.2901 -40.2901 -40.2901 -7.7695 -7.7695 -7.7695 -7.7695 1.6219 1.6219 1.6219 1.6219 2.6069 2.6069 2.6069 2.6069 2.9182 2.9182 2.9182 2.9182 7.3152 7.3152 7.3152 7.3152 10.9612 10.9612 10.9612 10.9612 k = 0.3431 0.1981 0.2812 ( 8378 PWs) bands (ev): -40.9877 -40.9877 -40.9877 -40.9877 -40.8583 -40.8583 -40.8583 -40.8583 -40.2903 -40.2903 -40.2903 -40.2903 -7.7636 -7.7636 -7.7636 -7.7636 1.5904 1.5904 1.5904 1.5904 2.6109 2.6109 2.6109 2.6109 2.8941 2.8941 2.8941 2.8941 7.2693 7.2693 7.2693 7.2693 10.9937 10.9937 10.9937 10.9937 k = 0.3529 0.2038 0.2812 ( 8366 PWs) bands (ev): -40.9860 -40.9860 -40.9860 -40.9860 -40.8595 -40.8595 -40.8595 -40.8595 -40.2906 -40.2906 -40.2906 -40.2906 -7.7579 -7.7579 -7.7579 -7.7579 1.5589 1.5589 1.5589 1.5589 2.6169 2.6169 2.6169 2.6169 2.8712 2.8712 2.8712 2.8712 7.2245 7.2245 7.2245 7.2245 11.0253 11.0253 11.0253 11.0253 k = 0.3627 0.2094 0.2812 ( 8376 PWs) bands (ev): -40.9844 -40.9844 -40.9844 -40.9844 -40.8607 -40.8607 -40.8607 -40.8607 -40.2909 -40.2909 -40.2909 -40.2909 -7.7525 -7.7525 -7.7525 -7.7525 1.5278 1.5278 1.5278 1.5278 2.6244 2.6244 2.6244 2.6244 2.8495 2.8495 2.8495 2.8495 7.1812 7.1812 7.1812 7.1812 11.0557 11.0557 11.0557 11.0557 k = 0.3725 0.2151 0.2812 ( 8372 PWs) bands (ev): -40.9829 -40.9829 -40.9829 -40.9829 -40.8618 -40.8618 -40.8618 -40.8618 -40.2911 -40.2911 -40.2911 -40.2911 -7.7473 -7.7473 -7.7473 -7.7473 1.4975 1.4975 1.4975 1.4975 2.6330 2.6330 2.6330 2.6330 2.8291 2.8291 2.8291 2.8291 7.1395 7.1395 7.1395 7.1395 11.0847 11.0847 11.0847 11.0847 k = 0.3824 0.2208 0.2812 ( 8364 PWs) bands (ev): -40.9814 -40.9814 -40.9814 -40.9814 -40.8629 -40.8629 -40.8629 -40.8629 -40.2914 -40.2914 -40.2914 -40.2914 -7.7423 -7.7423 -7.7423 -7.7423 1.4684 1.4684 1.4684 1.4684 2.6423 2.6423 2.6423 2.6423 2.8101 2.8101 2.8101 2.8101 7.0998 7.0998 7.0998 7.0998 11.1122 11.1122 11.1122 11.1122 k = 0.3922 0.2264 0.2812 ( 8368 PWs) bands (ev): -40.9800 -40.9800 -40.9800 -40.9800 -40.8639 -40.8639 -40.8639 -40.8639 -40.2916 -40.2916 -40.2916 -40.2916 -7.7377 -7.7377 -7.7377 -7.7377 1.4408 1.4408 1.4408 1.4408 2.6521 2.6521 2.6521 2.6521 2.7924 2.7924 2.7924 2.7924 7.0622 7.0622 7.0622 7.0622 11.1381 11.1381 11.1381 11.1381 k = 0.4020 0.2321 0.2812 ( 8362 PWs) bands (ev): -40.9787 -40.9787 -40.9787 -40.9787 -40.8649 -40.8649 -40.8649 -40.8649 -40.2918 -40.2918 -40.2918 -40.2918 -7.7334 -7.7334 -7.7334 -7.7334 1.4149 1.4149 1.4149 1.4149 2.6619 2.6619 2.6619 2.6619 2.7762 2.7762 2.7762 2.7762 7.0270 7.0270 7.0270 7.0270 11.1621 11.1621 11.1621 11.1621 k = 0.4118 0.2377 0.2812 ( 8358 PWs) bands (ev): -40.9775 -40.9775 -40.9775 -40.9775 -40.8659 -40.8659 -40.8659 -40.8659 -40.2920 -40.2920 -40.2920 -40.2920 -7.7295 -7.7295 -7.7295 -7.7295 1.3909 1.3909 1.3909 1.3909 2.6715 2.6715 2.6715 2.6715 2.7614 2.7614 2.7614 2.7614 6.9944 6.9944 6.9944 6.9944 11.1842 11.1842 11.1842 11.1842 k = 0.4216 0.2434 0.2812 ( 8348 PWs) bands (ev): -40.9763 -40.9763 -40.9763 -40.9763 -40.8667 -40.8667 -40.8667 -40.8667 -40.2921 -40.2921 -40.2921 -40.2921 -7.7259 -7.7259 -7.7259 -7.7259 1.3690 1.3690 1.3690 1.3690 2.6807 2.6807 2.6807 2.6807 2.7481 2.7481 2.7481 2.7481 6.9647 6.9647 6.9647 6.9647 11.2042 11.2042 11.2042 11.2042 k = 0.4314 0.2491 0.2812 ( 8364 PWs) bands (ev): -40.9753 -40.9753 -40.9753 -40.9753 -40.8675 -40.8675 -40.8675 -40.8675 -40.2923 -40.2923 -40.2923 -40.2923 -7.7227 -7.7227 -7.7227 -7.7227 1.3493 1.3493 1.3493 1.3493 2.6893 2.6893 2.6893 2.6893 2.7363 2.7363 2.7363 2.7363 6.9380 6.9380 6.9380 6.9380 11.2221 11.2221 11.2221 11.2221 k = 0.4412 0.2547 0.2812 ( 8354 PWs) bands (ev): -40.9744 -40.9744 -40.9744 -40.9744 -40.8682 -40.8682 -40.8682 -40.8682 -40.2924 -40.2924 -40.2924 -40.2924 -7.7199 -7.7199 -7.7199 -7.7199 1.3320 1.3320 1.3320 1.3320 2.6970 2.6970 2.6970 2.6970 2.7262 2.7262 2.7262 2.7262 6.9144 6.9144 6.9144 6.9144 11.2377 11.2377 11.2377 11.2377 k = 0.4510 0.2604 0.2812 ( 8358 PWs) bands (ev): -40.9736 -40.9736 -40.9736 -40.9736 -40.8688 -40.8688 -40.8688 -40.8688 -40.2925 -40.2925 -40.2925 -40.2925 -7.7175 -7.7175 -7.7175 -7.7175 1.3172 1.3172 1.3172 1.3172 2.7034 2.7034 2.7034 2.7034 2.7181 2.7181 2.7181 2.7181 6.8943 6.8943 6.8943 6.8943 11.2511 11.2511 11.2511 11.2511 k = 0.4608 0.2660 0.2812 ( 8374 PWs) bands (ev): -40.9730 -40.9730 -40.9730 -40.9730 -40.8693 -40.8693 -40.8693 -40.8693 -40.2926 -40.2926 -40.2926 -40.2926 -7.7156 -7.7156 -7.7156 -7.7156 1.3050 1.3050 1.3050 1.3050 2.7061 2.7061 2.7061 2.7061 2.7140 2.7140 2.7140 2.7140 6.8775 6.8775 6.8775 6.8775 11.2621 11.2621 11.2621 11.2621 k = 0.4706 0.2717 0.2812 ( 8378 PWs) bands (ev): -40.9725 -40.9725 -40.9725 -40.9725 -40.8697 -40.8697 -40.8697 -40.8697 -40.2927 -40.2927 -40.2927 -40.2927 -7.7140 -7.7140 -7.7140 -7.7140 1.2955 1.2955 1.2955 1.2955 2.7029 2.7029 2.7029 2.7029 2.7163 2.7163 2.7163 2.7163 6.8644 6.8644 6.8644 6.8644 11.2707 11.2707 11.2707 11.2707 k = 0.4804 0.2774 0.2812 ( 8382 PWs) bands (ev): -40.9721 -40.9721 -40.9721 -40.9721 -40.8700 -40.8700 -40.8700 -40.8700 -40.2928 -40.2928 -40.2928 -40.2928 -7.7129 -7.7129 -7.7129 -7.7129 1.2886 1.2886 1.2886 1.2886 2.6994 2.6994 2.6994 2.6994 2.7193 2.7193 2.7193 2.7193 6.8550 6.8550 6.8550 6.8550 11.2769 11.2769 11.2769 11.2769 k = 0.4902 0.2830 0.2812 ( 8380 PWs) bands (ev): -40.9719 -40.9719 -40.9719 -40.9719 -40.8702 -40.8702 -40.8702 -40.8702 -40.2928 -40.2928 -40.2928 -40.2928 -7.7122 -7.7122 -7.7122 -7.7122 1.2845 1.2845 1.2845 1.2845 2.6971 2.6971 2.6971 2.6971 2.7212 2.7212 2.7212 2.7212 6.8493 6.8493 6.8493 6.8493 11.2806 11.2806 11.2806 11.2806 k = 0.5000 0.2887 0.2812 ( 8372 PWs) bands (ev): -40.9718 -40.9718 -40.9718 -40.9718 -40.8703 -40.8703 -40.8703 -40.8703 -40.2928 -40.2928 -40.2928 -40.2928 -7.7120 -7.7120 -7.7120 -7.7120 1.2831 1.2831 1.2831 1.2831 2.6963 2.6963 2.6963 2.6963 2.7218 2.7218 2.7218 2.7218 6.8474 6.8474 6.8474 6.8474 11.2818 11.2818 11.2818 11.2818 k = 0.5000 0.2887 0.2812 ( 8372 PWs) bands (ev): -40.9718 -40.9718 -40.9718 -40.9718 -40.8703 -40.8703 -40.8703 -40.8703 -40.2928 -40.2928 -40.2928 -40.2928 -7.7120 -7.7120 -7.7120 -7.7120 1.2831 1.2831 1.2831 1.2831 2.6963 2.6963 2.6963 2.6963 2.7218 2.7218 2.7218 2.7218 6.8474 6.8474 6.8474 6.8474 11.2818 11.2818 11.2818 11.2818 k = 0.4944 0.2983 0.2812 ( 8380 PWs) bands (ev): -40.9718 -40.9718 -40.9718 -40.9718 -40.8703 -40.8703 -40.8703 -40.8703 -40.2928 -40.2928 -40.2928 -40.2928 -7.7119 -7.7119 -7.7119 -7.7119 1.2835 1.2835 1.2835 1.2835 2.6934 2.6934 2.6940 2.6940 2.7221 2.7221 2.7228 2.7228 6.8494 6.8494 6.8496 6.8496 11.2708 11.2708 11.2717 11.2717 k = 0.4889 0.3079 0.2812 ( 8380 PWs) bands (ev): -40.9717 -40.9717 -40.9717 -40.9717 -40.8703 -40.8703 -40.8703 -40.8703 -40.2928 -40.2928 -40.2928 -40.2928 -7.7117 -7.7117 -7.7117 -7.7117 1.2847 1.2847 1.2848 1.2848 2.6858 2.6858 2.6868 2.6868 2.7234 2.7234 2.7245 2.7245 6.8556 6.8556 6.8559 6.8559 11.2408 11.2408 11.2423 11.2423 k = 0.4833 0.3175 0.2812 ( 8376 PWs) bands (ev): -40.9716 -40.9716 -40.9716 -40.9716 -40.8704 -40.8704 -40.8704 -40.8704 -40.2928 -40.2928 -40.2928 -40.2928 -7.7113 -7.7113 -7.7113 -7.7113 1.2868 1.2868 1.2870 1.2870 2.6742 2.6742 2.6752 2.6752 2.7251 2.7251 2.7263 2.7263 6.8658 6.8658 6.8663 6.8663 11.1962 11.1962 11.1981 11.1981 k = 0.4778 0.3272 0.2812 ( 8368 PWs) bands (ev): -40.9714 -40.9714 -40.9714 -40.9714 -40.8705 -40.8705 -40.8705 -40.8705 -40.2929 -40.2929 -40.2929 -40.2929 -7.7108 -7.7108 -7.7108 -7.7108 1.2897 1.2897 1.2900 1.2900 2.6588 2.6588 2.6597 2.6597 2.7270 2.7270 2.7281 2.7281 6.8798 6.8798 6.8805 6.8805 11.1413 11.1413 11.1434 11.1434 k = 0.4722 0.3368 0.2812 ( 8356 PWs) bands (ev): -40.9712 -40.9712 -40.9712 -40.9712 -40.8707 -40.8707 -40.8707 -40.8707 -40.2929 -40.2929 -40.2929 -40.2929 -7.7102 -7.7102 -7.7102 -7.7102 1.2935 1.2935 1.2938 1.2938 2.6398 2.6398 2.6406 2.6406 2.7290 2.7290 2.7300 2.7300 6.8974 6.8974 6.8983 6.8983 11.0797 11.0797 11.0818 11.0818 k = 0.4667 0.3464 0.2812 ( 8356 PWs) bands (ev): -40.9710 -40.9710 -40.9710 -40.9710 -40.8708 -40.8708 -40.8708 -40.8708 -40.2929 -40.2929 -40.2929 -40.2929 -7.7094 -7.7094 -7.7094 -7.7094 1.2981 1.2981 1.2985 1.2985 2.6175 2.6175 2.6180 2.6180 2.7311 2.7311 2.7319 2.7319 6.9183 6.9183 6.9193 6.9193 11.0138 11.0138 11.0160 11.0160 k = 0.4611 0.3560 0.2812 ( 8364 PWs) bands (ev): -40.9707 -40.9707 -40.9707 -40.9707 -40.8711 -40.8711 -40.8711 -40.8711 -40.2930 -40.2930 -40.2930 -40.2930 -7.7085 -7.7085 -7.7085 -7.7085 1.3035 1.3035 1.3040 1.3040 2.5919 2.5919 2.5922 2.5922 2.7333 2.7333 2.7341 2.7341 6.9421 6.9421 6.9433 6.9433 10.9454 10.9454 10.9475 10.9475 k = 0.4556 0.3657 0.2812 ( 8360 PWs) bands (ev): -40.9704 -40.9704 -40.9704 -40.9704 -40.8713 -40.8713 -40.8713 -40.8713 -40.2930 -40.2930 -40.2930 -40.2930 -7.7074 -7.7074 -7.7074 -7.7074 1.3097 1.3097 1.3103 1.3103 2.5633 2.5633 2.5635 2.5635 2.7358 2.7358 2.7364 2.7364 6.9684 6.9684 6.9698 6.9698 10.8757 10.8757 10.8778 10.8778 k = 0.4500 0.3753 0.2812 ( 8364 PWs) bands (ev): -40.9700 -40.9700 -40.9700 -40.9700 -40.8716 -40.8716 -40.8716 -40.8716 -40.2931 -40.2931 -40.2931 -40.2931 -7.7063 -7.7063 -7.7063 -7.7063 1.3167 1.3167 1.3174 1.3174 2.5321 2.5321 2.5322 2.5322 2.7384 2.7384 2.7388 2.7388 6.9968 6.9968 6.9983 6.9983 10.8058 10.8058 10.8078 10.8078 k = 0.4444 0.3849 0.2812 ( 8374 PWs) bands (ev): -40.9696 -40.9696 -40.9696 -40.9696 -40.8719 -40.8719 -40.8719 -40.8719 -40.2931 -40.2931 -40.2931 -40.2931 -7.7050 -7.7050 -7.7050 -7.7050 1.3245 1.3245 1.3253 1.3253 2.4985 2.4985 2.4987 2.4987 2.7411 2.7411 2.7415 2.7415 7.0267 7.0267 7.0284 7.0284 10.7364 10.7364 10.7382 10.7382 k = 0.4389 0.3945 0.2812 ( 8362 PWs) bands (ev): -40.9692 -40.9692 -40.9692 -40.9692 -40.8722 -40.8722 -40.8722 -40.8722 -40.2932 -40.2932 -40.2932 -40.2932 -7.7037 -7.7037 -7.7037 -7.7037 1.3331 1.3331 1.3340 1.3340 2.4628 2.4628 2.4632 2.4632 2.7441 2.7441 2.7444 2.7444 7.0578 7.0578 7.0597 7.0597 10.6681 10.6681 10.6698 10.6698 k = 0.4333 0.4041 0.2812 ( 8364 PWs) bands (ev): -40.9687 -40.9687 -40.9687 -40.9687 -40.8726 -40.8726 -40.8726 -40.8726 -40.2933 -40.2933 -40.2933 -40.2933 -7.7023 -7.7023 -7.7023 -7.7023 1.3424 1.3424 1.3434 1.3434 2.4255 2.4255 2.4261 2.4261 2.7472 2.7472 2.7474 2.7474 7.0896 7.0896 7.0916 7.0916 10.6014 10.6014 10.6030 10.6030 k = 0.4278 0.4138 0.2812 ( 8368 PWs) bands (ev): -40.9683 -40.9683 -40.9683 -40.9683 -40.8729 -40.8729 -40.8729 -40.8729 -40.2933 -40.2933 -40.2933 -40.2933 -7.7008 -7.7008 -7.7008 -7.7008 1.3524 1.3524 1.3536 1.3536 2.3870 2.3870 2.3877 2.3877 2.7504 2.7504 2.7505 2.7505 7.1215 7.1215 7.1237 7.1237 10.5369 10.5369 10.5383 10.5383 k = 0.4222 0.4234 0.2812 ( 8376 PWs) bands (ev): -40.9678 -40.9678 -40.9678 -40.9678 -40.8733 -40.8733 -40.8733 -40.8733 -40.2934 -40.2934 -40.2934 -40.2934 -7.6992 -7.6992 -7.6992 -7.6992 1.3631 1.3631 1.3644 1.3644 2.3474 2.3474 2.3484 2.3484 2.7538 2.7538 2.7538 2.7538 7.1531 7.1531 7.1555 7.1555 10.4749 10.4749 10.4762 10.4762 k = 0.4167 0.4330 0.2812 ( 8374 PWs) bands (ev): -40.9672 -40.9672 -40.9672 -40.9672 -40.8737 -40.8737 -40.8737 -40.8737 -40.2935 -40.2935 -40.2935 -40.2935 -7.6977 -7.6977 -7.6977 -7.6977 1.3744 1.3744 1.3759 1.3759 2.3073 2.3073 2.3084 2.3084 2.7572 2.7572 2.7572 2.7572 7.1841 7.1841 7.1867 7.1867 10.4157 10.4157 10.4169 10.4169 k = 0.4111 0.4426 0.2812 ( 8370 PWs) bands (ev): -40.9667 -40.9667 -40.9667 -40.9667 -40.8741 -40.8741 -40.8741 -40.8741 -40.2936 -40.2936 -40.2936 -40.2936 -7.6961 -7.6961 -7.6961 -7.6961 1.3863 1.3863 1.3880 1.3880 2.2669 2.2669 2.2682 2.2682 2.7607 2.7607 2.7608 2.7608 7.2139 7.2139 7.2167 7.2167 10.3598 10.3598 10.3609 10.3609 k = 0.4056 0.4523 0.2812 ( 8366 PWs) bands (ev): -40.9662 -40.9662 -40.9662 -40.9662 -40.8745 -40.8745 -40.8745 -40.8745 -40.2936 -40.2936 -40.2936 -40.2936 -7.6945 -7.6945 -7.6945 -7.6945 1.3988 1.3988 1.4006 1.4006 2.2266 2.2266 2.2281 2.2281 2.7641 2.7641 2.7643 2.7643 7.2423 7.2423 7.2452 7.2452 10.3074 10.3074 10.3084 10.3084 k = 0.4000 0.4619 0.2812 ( 8380 PWs) bands (ev): -40.9657 -40.9657 -40.9657 -40.9657 -40.8750 -40.8750 -40.8750 -40.8750 -40.2937 -40.2937 -40.2937 -40.2937 -7.6929 -7.6929 -7.6929 -7.6929 1.4117 1.4117 1.4137 1.4137 2.1866 2.1866 2.1884 2.1884 2.7676 2.7676 2.7679 2.7679 7.2688 7.2688 7.2719 7.2719 10.2587 10.2587 10.2596 10.2596 k = 0.3944 0.4715 0.2812 ( 8372 PWs) bands (ev): -40.9651 -40.9651 -40.9651 -40.9651 -40.8754 -40.8754 -40.8754 -40.8754 -40.2938 -40.2938 -40.2938 -40.2938 -7.6913 -7.6913 -7.6913 -7.6913 1.4250 1.4250 1.4273 1.4273 2.1474 2.1474 2.1495 2.1495 2.7711 2.7711 2.7714 2.7714 7.2933 7.2933 7.2965 7.2965 10.2140 10.2140 10.2147 10.2147 k = 0.3889 0.4811 0.2812 ( 8380 PWs) bands (ev): -40.9646 -40.9646 -40.9646 -40.9646 -40.8758 -40.8758 -40.8758 -40.8758 -40.2939 -40.2939 -40.2939 -40.2939 -7.6898 -7.6898 -7.6898 -7.6898 1.4386 1.4386 1.4411 1.4411 2.1092 2.1092 2.1116 2.1116 2.7745 2.7745 2.7748 2.7748 7.3155 7.3155 7.3189 7.3189 10.1733 10.1733 10.1739 10.1739 k = 0.3833 0.4907 0.2812 ( 8374 PWs) bands (ev): -40.9641 -40.9641 -40.9641 -40.9641 -40.8762 -40.8762 -40.8762 -40.8762 -40.2939 -40.2939 -40.2939 -40.2939 -7.6884 -7.6884 -7.6884 -7.6884 1.4523 1.4523 1.4551 1.4551 2.0725 2.0725 2.0751 2.0751 2.7778 2.7778 2.7781 2.7781 7.3353 7.3353 7.3387 7.3387 10.1368 10.1368 10.1373 10.1373 k = 0.3778 0.5004 0.2812 ( 8368 PWs) bands (ev): -40.9636 -40.9636 -40.9636 -40.9636 -40.8765 -40.8765 -40.8765 -40.8765 -40.2940 -40.2940 -40.2940 -40.2940 -7.6870 -7.6870 -7.6870 -7.6870 1.4659 1.4659 1.4690 1.4690 2.0375 2.0375 2.0405 2.0405 2.7809 2.7809 2.7813 2.7813 7.3525 7.3525 7.3561 7.3561 10.1045 10.1045 10.1049 10.1049 k = 0.3722 0.5100 0.2812 ( 8366 PWs) bands (ev): -40.9632 -40.9632 -40.9632 -40.9632 -40.8769 -40.8769 -40.8769 -40.8769 -40.2940 -40.2940 -40.2940 -40.2940 -7.6857 -7.6857 -7.6857 -7.6857 1.4793 1.4793 1.4827 1.4827 2.0048 2.0048 2.0081 2.0081 2.7838 2.7838 2.7842 2.7842 7.3671 7.3671 7.3708 7.3708 10.0764 10.0764 10.0768 10.0768 k = 0.3667 0.5196 0.2812 ( 8362 PWs) bands (ev): -40.9628 -40.9628 -40.9628 -40.9628 -40.8772 -40.8772 -40.8772 -40.8772 -40.2941 -40.2941 -40.2941 -40.2941 -7.6846 -7.6846 -7.6846 -7.6846 1.4920 1.4920 1.4959 1.4959 1.9746 1.9746 1.9784 1.9784 2.7865 2.7865 2.7869 2.7869 7.3792 7.3792 7.3830 7.3830 10.0526 10.0526 10.0529 10.0529 k = 0.3611 0.5292 0.2812 ( 8356 PWs) bands (ev): -40.9624 -40.9624 -40.9624 -40.9624 -40.8775 -40.8775 -40.8775 -40.8775 -40.2941 -40.2941 -40.2941 -40.2941 -7.6836 -7.6836 -7.6836 -7.6836 1.5039 1.5039 1.5081 1.5081 1.9477 1.9477 1.9519 1.9519 2.7888 2.7888 2.7893 2.7893 7.3889 7.3889 7.3927 7.3927 10.0329 10.0329 10.0332 10.0332 k = 0.3556 0.5389 0.2812 ( 8348 PWs) bands (ev): -40.9621 -40.9621 -40.9621 -40.9621 -40.8777 -40.8777 -40.8777 -40.8777 -40.2942 -40.2942 -40.2942 -40.2942 -7.6827 -7.6827 -7.6827 -7.6827 1.5144 1.5144 1.5191 1.5191 1.9245 1.9245 1.9291 1.9291 2.7909 2.7909 2.7914 2.7914 7.3963 7.3963 7.4002 7.4002 10.0172 10.0172 10.0174 10.0174 k = 0.3500 0.5485 0.2812 ( 8344 PWs) bands (ev): -40.9618 -40.9618 -40.9618 -40.9618 -40.8780 -40.8780 -40.8780 -40.8780 -40.2942 -40.2942 -40.2942 -40.2942 -7.6820 -7.6820 -7.6820 -7.6820 1.5231 1.5231 1.5282 1.5282 1.9057 1.9057 1.9107 1.9107 2.7925 2.7925 2.7931 2.7931 7.4016 7.4016 7.4055 7.4055 10.0053 10.0053 10.0055 10.0055 k = 0.3444 0.5581 0.2812 ( 8340 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2942 -40.2942 -40.2942 -40.2942 -7.6815 -7.6815 -7.6815 -7.6815 1.5296 1.5296 1.5350 1.5350 1.8918 1.8918 1.8972 1.8972 2.7938 2.7938 2.7943 2.7943 7.4050 7.4050 7.4090 7.4090 9.9971 9.9971 9.9973 9.9973 k = 0.3389 0.5677 0.2812 ( 8330 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2942 -40.2942 -40.2942 -40.2942 -7.6811 -7.6811 -7.6811 -7.6811 1.5336 1.5336 1.5391 1.5391 1.8834 1.8834 1.8889 1.8889 2.7946 2.7946 2.7951 2.7951 7.4068 7.4068 7.4109 7.4109 9.9924 9.9924 9.9925 9.9925 k = 0.3333 0.5774 0.2812 ( 8322 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2942 -40.2942 -40.2942 -40.2942 -7.6810 -7.6810 -7.6810 -7.6810 1.5348 1.5348 1.5405 1.5405 1.8805 1.8805 1.8862 1.8862 2.7948 2.7948 2.7954 2.7954 7.4074 7.4074 7.4114 7.4114 9.9909 9.9909 9.9910 9.9910 k = 0.3333 0.5774 0.2812 ( 8322 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2942 -40.2942 -40.2942 -40.2942 -7.6810 -7.6810 -7.6810 -7.6810 1.5348 1.5348 1.5405 1.5405 1.8805 1.8805 1.8862 1.8862 2.7948 2.7948 2.7954 2.7954 7.4074 7.4074 7.4114 7.4114 9.9909 9.9909 9.9910 9.9910 k = 0.3277 0.5676 0.2812 ( 8330 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2942 -40.2942 -40.2942 -40.2942 -7.6812 -7.6812 -7.6812 -7.6812 1.5336 1.5336 1.5392 1.5392 1.8834 1.8834 1.8889 1.8889 2.7945 2.7945 2.7951 2.7951 7.4069 7.4069 7.4109 7.4109 9.9924 9.9924 9.9925 9.9925 k = 0.3220 0.5578 0.2812 ( 8330 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2942 -40.2942 -40.2942 -40.2942 -7.6815 -7.6815 -7.6815 -7.6815 1.5304 1.5304 1.5357 1.5357 1.8915 1.8915 1.8968 1.8968 2.7937 2.7937 2.7942 2.7942 7.4058 7.4058 7.4098 7.4098 9.9967 9.9967 9.9969 9.9969 k = 0.3164 0.5480 0.2812 ( 8350 PWs) bands (ev): -40.9619 -40.9619 -40.9619 -40.9619 -40.8779 -40.8779 -40.8779 -40.8779 -40.2942 -40.2942 -40.2942 -40.2942 -7.6821 -7.6821 -7.6821 -7.6821 1.5257 1.5257 1.5307 1.5307 1.9043 1.9043 1.9093 1.9093 2.7922 2.7922 2.7927 2.7927 7.4042 7.4042 7.4082 7.4082 10.0036 10.0036 10.0038 10.0038 k = 0.3107 0.5382 0.2812 ( 8354 PWs) bands (ev): -40.9622 -40.9622 -40.9622 -40.9622 -40.8776 -40.8776 -40.8776 -40.8776 -40.2942 -40.2942 -40.2942 -40.2942 -7.6830 -7.6830 -7.6830 -7.6830 1.5203 1.5203 1.5250 1.5250 1.9210 1.9210 1.9257 1.9257 2.7900 2.7900 2.7906 2.7906 7.4025 7.4025 7.4065 7.4065 10.0128 10.0128 10.0130 10.0130 k = 0.3051 0.5284 0.2812 ( 8354 PWs) bands (ev): -40.9627 -40.9627 -40.9627 -40.9627 -40.8773 -40.8773 -40.8773 -40.8773 -40.2941 -40.2941 -40.2941 -40.2941 -7.6842 -7.6842 -7.6842 -7.6842 1.5148 1.5148 1.5192 1.5192 1.9410 1.9410 1.9454 1.9454 2.7873 2.7873 2.7878 2.7878 7.4011 7.4011 7.4049 7.4049 10.0242 10.0242 10.0244 10.0244 k = 0.2994 0.5186 0.2812 ( 8360 PWs) bands (ev): -40.9632 -40.9632 -40.9632 -40.9632 -40.8769 -40.8769 -40.8769 -40.8769 -40.2940 -40.2940 -40.2940 -40.2940 -7.6857 -7.6857 -7.6857 -7.6857 1.5099 1.5099 1.5139 1.5139 1.9638 1.9638 1.9678 1.9678 2.7838 2.7838 2.7843 2.7843 7.4001 7.4001 7.4039 7.4039 10.0373 10.0373 10.0376 10.0376 k = 0.2938 0.5089 0.2812 ( 8364 PWs) bands (ev): -40.9638 -40.9638 -40.9638 -40.9638 -40.8764 -40.8764 -40.8764 -40.8764 -40.2940 -40.2940 -40.2940 -40.2940 -7.6874 -7.6874 -7.6874 -7.6874 1.5059 1.5059 1.5096 1.5096 1.9889 1.9889 1.9925 1.9925 2.7798 2.7798 2.7802 2.7802 7.3998 7.3998 7.4035 7.4035 10.0521 10.0521 10.0524 10.0524 k = 0.2881 0.4991 0.2812 ( 8364 PWs) bands (ev): -40.9646 -40.9646 -40.9646 -40.9646 -40.8758 -40.8758 -40.8758 -40.8758 -40.2939 -40.2939 -40.2939 -40.2939 -7.6895 -7.6895 -7.6895 -7.6895 1.5032 1.5032 1.5066 1.5066 2.0159 2.0159 2.0192 2.0192 2.7751 2.7751 2.7755 2.7755 7.4004 7.4004 7.4041 7.4041 10.0683 10.0683 10.0686 10.0686 k = 0.2825 0.4893 0.2812 ( 8360 PWs) bands (ev): -40.9654 -40.9654 -40.9654 -40.9654 -40.8751 -40.8751 -40.8751 -40.8751 -40.2938 -40.2938 -40.2938 -40.2938 -7.6919 -7.6919 -7.6919 -7.6919 1.5021 1.5021 1.5052 1.5052 2.0446 2.0446 2.0476 2.0476 2.7699 2.7699 2.7702 2.7702 7.4022 7.4022 7.4058 7.4058 10.0858 10.0858 10.0861 10.0861 k = 0.2768 0.4795 0.2812 ( 8352 PWs) bands (ev): -40.9664 -40.9664 -40.9664 -40.9664 -40.8744 -40.8744 -40.8744 -40.8744 -40.2936 -40.2936 -40.2936 -40.2936 -7.6945 -7.6945 -7.6945 -7.6945 1.5027 1.5027 1.5056 1.5056 2.0747 2.0747 2.0773 2.0773 2.7642 2.7642 2.7644 2.7644 7.4052 7.4052 7.4087 7.4087 10.1042 10.1042 10.1045 10.1045 k = 0.2712 0.4697 0.2812 ( 8366 PWs) bands (ev): -40.9674 -40.9674 -40.9674 -40.9674 -40.8735 -40.8735 -40.8735 -40.8735 -40.2935 -40.2935 -40.2935 -40.2935 -7.6975 -7.6975 -7.6975 -7.6975 1.5052 1.5052 1.5079 1.5079 2.1060 2.1060 2.1083 2.1083 2.7580 2.7580 2.7581 2.7581 7.4096 7.4096 7.4131 7.4131 10.1234 10.1234 10.1238 10.1238 k = 0.2655 0.4599 0.2812 ( 8366 PWs) bands (ev): -40.9685 -40.9685 -40.9685 -40.9685 -40.8727 -40.8727 -40.8727 -40.8727 -40.2933 -40.2933 -40.2933 -40.2933 -7.7008 -7.7008 -7.7008 -7.7008 1.5096 1.5096 1.5121 1.5121 2.1384 2.1384 2.1404 2.1404 2.7515 2.7515 2.7515 2.7515 7.4155 7.4155 7.4189 7.4189 10.1433 10.1433 10.1437 10.1437 k = 0.2599 0.4501 0.2812 ( 8358 PWs) bands (ev): -40.9697 -40.9697 -40.9697 -40.9697 -40.8717 -40.8717 -40.8717 -40.8717 -40.2932 -40.2932 -40.2932 -40.2932 -7.7043 -7.7043 -7.7043 -7.7043 1.5161 1.5161 1.5183 1.5183 2.1717 2.1717 2.1734 2.1734 2.7446 2.7446 2.7447 2.7447 7.4230 7.4230 7.4263 7.4263 10.1635 10.1635 10.1640 10.1640 k = 0.2542 0.4404 0.2812 ( 8358 PWs) bands (ev): -40.9710 -40.9710 -40.9710 -40.9710 -40.8707 -40.8707 -40.8707 -40.8707 -40.2930 -40.2930 -40.2930 -40.2930 -7.7082 -7.7082 -7.7082 -7.7082 1.5245 1.5245 1.5266 1.5266 2.2058 2.2058 2.2072 2.2072 2.7377 2.7377 2.7379 2.7379 7.4321 7.4321 7.4353 7.4353 10.1841 10.1841 10.1845 10.1845 k = 0.2486 0.4306 0.2812 ( 8356 PWs) bands (ev): -40.9724 -40.9724 -40.9724 -40.9724 -40.8697 -40.8697 -40.8697 -40.8697 -40.2928 -40.2928 -40.2928 -40.2928 -7.7124 -7.7124 -7.7124 -7.7124 1.5350 1.5350 1.5368 1.5368 2.2405 2.2405 2.2415 2.2415 2.7308 2.7308 2.7313 2.7313 7.4429 7.4429 7.4460 7.4460 10.2047 10.2047 10.2051 10.2051 k = 0.2429 0.4208 0.2812 ( 8364 PWs) bands (ev): -40.9738 -40.9738 -40.9738 -40.9738 -40.8686 -40.8686 -40.8686 -40.8686 -40.2926 -40.2926 -40.2926 -40.2926 -7.7168 -7.7168 -7.7168 -7.7168 1.5473 1.5473 1.5490 1.5490 2.2756 2.2756 2.2762 2.2762 2.7243 2.7243 2.7250 2.7250 7.4553 7.4553 7.4583 7.4583 10.2252 10.2252 10.2256 10.2256 k = 0.2373 0.4110 0.2812 ( 8368 PWs) bands (ev): -40.9753 -40.9753 -40.9753 -40.9753 -40.8674 -40.8674 -40.8674 -40.8674 -40.2924 -40.2924 -40.2924 -40.2924 -7.7215 -7.7215 -7.7215 -7.7215 1.5614 1.5614 1.5630 1.5630 2.3109 2.3109 2.3111 2.3111 2.7185 2.7185 2.7195 2.7195 7.4693 7.4693 7.4722 7.4722 10.2454 10.2454 10.2458 10.2458 k = 0.2316 0.4012 0.2812 ( 8372 PWs) bands (ev): -40.9769 -40.9769 -40.9769 -40.9769 -40.8663 -40.8663 -40.8663 -40.8663 -40.2921 -40.2921 -40.2921 -40.2921 -7.7265 -7.7265 -7.7265 -7.7265 1.5773 1.5773 1.5787 1.5787 2.3459 2.3459 2.3461 2.3461 2.7137 2.7137 2.7150 2.7150 7.4849 7.4849 7.4877 7.4877 10.2651 10.2651 10.2655 10.2655 k = 0.2260 0.3914 0.2812 ( 8366 PWs) bands (ev): -40.9785 -40.9785 -40.9785 -40.9785 -40.8650 -40.8650 -40.8650 -40.8650 -40.2919 -40.2919 -40.2919 -40.2919 -7.7317 -7.7317 -7.7317 -7.7317 1.5947 1.5947 1.5960 1.5960 2.3802 2.3802 2.3810 2.3810 2.7104 2.7104 2.7121 2.7121 7.5021 7.5021 7.5048 7.5048 10.2841 10.2841 10.2845 10.2845 k = 0.2203 0.3816 0.2812 ( 8374 PWs) bands (ev): -40.9801 -40.9801 -40.9801 -40.9801 -40.8638 -40.8638 -40.8638 -40.8638 -40.2916 -40.2916 -40.2916 -40.2916 -7.7371 -7.7371 -7.7371 -7.7371 1.6135 1.6135 1.6146 1.6146 2.4136 2.4136 2.4149 2.4149 2.7093 2.7093 2.7115 2.7115 7.5207 7.5207 7.5233 7.5233 10.3024 10.3024 10.3028 10.3028 k = 0.2147 0.3719 0.2812 ( 8362 PWs) bands (ev): -40.9818 -40.9818 -40.9818 -40.9818 -40.8626 -40.8626 -40.8626 -40.8626 -40.2913 -40.2913 -40.2913 -40.2913 -7.7428 -7.7428 -7.7428 -7.7428 1.6334 1.6334 1.6344 1.6344 2.4453 2.4453 2.4474 2.4474 2.7111 2.7111 2.7139 2.7139 7.5407 7.5407 7.5432 7.5432 10.3196 10.3196 10.3200 10.3200 k = 0.2090 0.3621 0.2812 ( 8346 PWs) bands (ev): -40.9835 -40.9835 -40.9835 -40.9835 -40.8613 -40.8613 -40.8613 -40.8613 -40.2910 -40.2910 -40.2910 -40.2910 -7.7487 -7.7487 -7.7487 -7.7487 1.6542 1.6542 1.6550 1.6550 2.4748 2.4748 2.4776 2.4776 2.7170 2.7170 2.7204 2.7204 7.5619 7.5619 7.5643 7.5643 10.3358 10.3358 10.3361 10.3361 k = 0.2034 0.3523 0.2812 ( 8350 PWs) bands (ev): -40.9853 -40.9853 -40.9853 -40.9853 -40.8600 -40.8600 -40.8600 -40.8600 -40.2908 -40.2908 -40.2908 -40.2908 -7.7547 -7.7547 -7.7547 -7.7547 1.6756 1.6756 1.6762 1.6762 2.5014 2.5014 2.5049 2.5049 2.7277 2.7277 2.7317 2.7317 7.5842 7.5842 7.5865 7.5865 10.3507 10.3507 10.3509 10.3509 k = 0.1977 0.3425 0.2812 ( 8338 PWs) bands (ev): -40.9870 -40.9870 -40.9870 -40.9870 -40.8587 -40.8587 -40.8587 -40.8587 -40.2904 -40.2904 -40.2904 -40.2904 -7.7609 -7.7609 -7.7609 -7.7609 1.6971 1.6971 1.6977 1.6977 2.5247 2.5247 2.5287 2.5287 2.7442 2.7442 2.7486 2.7486 7.6076 7.6076 7.6098 7.6098 10.3642 10.3642 10.3644 10.3644 k = 0.1921 0.3327 0.2812 ( 8338 PWs) bands (ev): -40.9888 -40.9888 -40.9888 -40.9888 -40.8574 -40.8574 -40.8574 -40.8574 -40.2901 -40.2901 -40.2901 -40.2901 -7.7673 -7.7673 -7.7673 -7.7673 1.7186 1.7186 1.7190 1.7190 2.5450 2.5450 2.5494 2.5494 2.7664 2.7664 2.7711 2.7711 7.6318 7.6318 7.6339 7.6339 10.3764 10.3764 10.3765 10.3765 k = 0.1864 0.3229 0.2812 ( 8338 PWs) bands (ev): -40.9906 -40.9906 -40.9906 -40.9906 -40.8562 -40.8562 -40.8562 -40.8562 -40.2898 -40.2898 -40.2898 -40.2898 -7.7738 -7.7738 -7.7738 -7.7738 1.7395 1.7395 1.7398 1.7398 2.5631 2.5631 2.5677 2.5677 2.7938 2.7938 2.7986 2.7986 7.6568 7.6568 7.6588 7.6588 10.3871 10.3871 10.3871 10.3871 k = 0.1808 0.3131 0.2812 ( 8334 PWs) bands (ev): -40.9924 -40.9924 -40.9924 -40.9924 -40.8549 -40.8549 -40.8549 -40.8549 -40.2895 -40.2895 -40.2895 -40.2895 -7.7804 -7.7804 -7.7804 -7.7804 1.7594 1.7594 1.7596 1.7596 2.5805 2.5805 2.5850 2.5850 2.8256 2.8256 2.8302 2.8302 7.6823 7.6823 7.6842 7.6842 10.3963 10.3963 10.3963 10.3963 k = 0.1751 0.3034 0.2812 ( 8338 PWs) bands (ev): -40.9942 -40.9942 -40.9942 -40.9942 -40.8536 -40.8536 -40.8536 -40.8536 -40.2892 -40.2892 -40.2892 -40.2892 -7.7871 -7.7871 -7.7871 -7.7871 1.7779 1.7779 1.7780 1.7780 2.5983 2.5983 2.6027 2.6027 2.8605 2.8605 2.8650 2.8650 7.7082 7.7082 7.7101 7.7101 10.4041 10.4041 10.4042 10.4042 k = 0.1695 0.2936 0.2812 ( 8342 PWs) bands (ev): -40.9960 -40.9960 -40.9960 -40.9960 -40.8524 -40.8524 -40.8524 -40.8524 -40.2888 -40.2888 -40.2888 -40.2888 -7.7938 -7.7938 -7.7938 -7.7938 1.7947 1.7947 1.7947 1.7947 2.6176 2.6176 2.6219 2.6219 2.8977 2.8977 2.9020 2.9020 7.7344 7.7344 7.7362 7.7362 10.4106 10.4106 10.4108 10.4108 k = 0.1638 0.2838 0.2812 ( 8340 PWs) bands (ev): -40.9978 -40.9978 -40.9978 -40.9978 -40.8511 -40.8511 -40.8511 -40.8511 -40.2885 -40.2885 -40.2885 -40.2885 -7.8006 -7.8006 -7.8006 -7.8006 1.8093 1.8093 1.8093 1.8093 2.6394 2.6394 2.6435 2.6435 2.9365 2.9365 2.9406 2.9406 7.7607 7.7607 7.7623 7.7623 10.4159 10.4159 10.4162 10.4162 k = 0.1582 0.2740 0.2812 ( 8340 PWs) bands (ev): -40.9996 -40.9996 -40.9996 -40.9996 -40.8499 -40.8499 -40.8499 -40.8499 -40.2882 -40.2882 -40.2882 -40.2882 -7.8074 -7.8074 -7.8074 -7.8074 1.8216 1.8216 1.8217 1.8217 2.6642 2.6642 2.6682 2.6682 2.9764 2.9764 2.9802 2.9802 7.7868 7.7868 7.7884 7.7884 10.4203 10.4203 10.4207 10.4207 k = 0.1525 0.2642 0.2812 ( 8340 PWs) bands (ev): -41.0013 -41.0013 -41.0013 -41.0013 -40.8487 -40.8487 -40.8487 -40.8487 -40.2878 -40.2878 -40.2878 -40.2878 -7.8142 -7.8142 -7.8142 -7.8142 1.8314 1.8314 1.8315 1.8315 2.6925 2.6925 2.6962 2.6962 3.0170 3.0170 3.0206 3.0206 7.8127 7.8127 7.8142 7.8142 10.4239 10.4239 10.4243 10.4243 k = 0.1469 0.2544 0.2812 ( 8344 PWs) bands (ev): -41.0030 -41.0030 -41.0030 -41.0030 -40.8475 -40.8475 -40.8475 -40.8475 -40.2875 -40.2875 -40.2875 -40.2875 -7.8210 -7.8210 -7.8210 -7.8210 1.8388 1.8388 1.8389 1.8389 2.7243 2.7243 2.7279 2.7279 3.0580 3.0580 3.0614 3.0614 7.8381 7.8381 7.8395 7.8395 10.4270 10.4270 10.4275 10.4275 k = 0.1412 0.2446 0.2812 ( 8348 PWs) bands (ev): -41.0047 -41.0047 -41.0047 -41.0047 -40.8464 -40.8464 -40.8464 -40.8464 -40.2871 -40.2871 -40.2871 -40.2871 -7.8278 -7.8278 -7.8278 -7.8278 1.8437 1.8437 1.8438 1.8438 2.7597 2.7597 2.7631 2.7631 3.0990 3.0990 3.1022 3.1022 7.8628 7.8628 7.8641 7.8641 10.4298 10.4298 10.4304 10.4304 k = 0.1356 0.2349 0.2812 ( 8346 PWs) bands (ev): -41.0064 -41.0064 -41.0064 -41.0064 -40.8453 -40.8453 -40.8453 -40.8453 -40.2868 -40.2868 -40.2868 -40.2868 -7.8344 -7.8344 -7.8344 -7.8344 1.8464 1.8464 1.8465 1.8465 2.7986 2.7986 2.8017 2.8017 3.1400 3.1400 3.1430 3.1430 7.8867 7.8867 7.8879 7.8879 10.4327 10.4327 10.4334 10.4334 k = 0.1299 0.2251 0.2812 ( 8336 PWs) bands (ev): -41.0080 -41.0080 -41.0080 -41.0080 -40.8442 -40.8442 -40.8442 -40.8442 -40.2865 -40.2865 -40.2865 -40.2865 -7.8410 -7.8410 -7.8410 -7.8410 1.8470 1.8470 1.8471 1.8471 2.8406 2.8406 2.8435 2.8435 3.1807 3.1807 3.1836 3.1836 7.9096 7.9096 7.9107 7.9107 10.4360 10.4360 10.4367 10.4367 k = 0.1243 0.2153 0.2812 ( 8336 PWs) bands (ev): -41.0096 -41.0096 -41.0096 -41.0096 -40.8431 -40.8431 -40.8431 -40.8431 -40.2861 -40.2861 -40.2861 -40.2861 -7.8475 -7.8475 -7.8475 -7.8475 1.8457 1.8457 1.8458 1.8458 2.8854 2.8854 2.8882 2.8882 3.2210 3.2210 3.2237 3.2237 7.9313 7.9313 7.9323 7.9323 10.4399 10.4399 10.4407 10.4407 k = 0.1186 0.2055 0.2812 ( 8336 PWs) bands (ev): -41.0111 -41.0111 -41.0111 -41.0111 -40.8421 -40.8421 -40.8421 -40.8421 -40.2858 -40.2858 -40.2858 -40.2858 -7.8538 -7.8538 -7.8538 -7.8538 1.8429 1.8429 1.8430 1.8430 2.9327 2.9327 2.9353 2.9353 3.2607 3.2607 3.2632 3.2632 7.9516 7.9516 7.9525 7.9525 10.4449 10.4449 10.4457 10.4457 k = 0.1130 0.1957 0.2812 ( 8344 PWs) bands (ev): -41.0126 -41.0126 -41.0126 -41.0126 -40.8412 -40.8412 -40.8412 -40.8412 -40.2855 -40.2855 -40.2855 -40.2855 -7.8600 -7.8600 -7.8600 -7.8600 1.8389 1.8389 1.8390 1.8390 2.9820 2.9820 2.9845 2.9845 3.2996 3.2996 3.3020 3.3020 7.9703 7.9703 7.9711 7.9711 10.4512 10.4512 10.4520 10.4520 k = 0.1073 0.1859 0.2812 ( 8332 PWs) bands (ev): -41.0141 -41.0141 -41.0141 -41.0141 -40.8402 -40.8402 -40.8402 -40.8402 -40.2852 -40.2852 -40.2852 -40.2852 -7.8660 -7.8660 -7.8660 -7.8660 1.8337 1.8337 1.8338 1.8338 3.0329 3.0329 3.0353 3.0353 3.3376 3.3376 3.3399 3.3399 7.9874 7.9874 7.9881 7.9881 10.4593 10.4593 10.4601 10.4601 k = 0.1017 0.1761 0.2812 ( 8340 PWs) bands (ev): -41.0155 -41.0155 -41.0155 -41.0155 -40.8393 -40.8393 -40.8393 -40.8393 -40.2849 -40.2849 -40.2849 -40.2849 -7.8719 -7.8719 -7.8719 -7.8719 1.8278 1.8278 1.8278 1.8278 3.0851 3.0851 3.0873 3.0873 3.3747 3.3747 3.3768 3.3768 8.0026 8.0026 8.0032 8.0032 10.4693 10.4693 10.4701 10.4701 k = 0.0960 0.1664 0.2812 ( 8346 PWs) bands (ev): -41.0168 -41.0168 -41.0168 -41.0168 -40.8385 -40.8385 -40.8385 -40.8385 -40.2846 -40.2846 -40.2846 -40.2846 -7.8775 -7.8775 -7.8775 -7.8775 1.8212 1.8212 1.8213 1.8213 3.1380 3.1380 3.1401 3.1401 3.4106 3.4106 3.4126 3.4126 8.0159 8.0159 8.0165 8.0165 10.4816 10.4816 10.4824 10.4824 k = 0.0904 0.1566 0.2812 ( 8350 PWs) bands (ev): -41.0181 -41.0181 -41.0181 -41.0181 -40.8377 -40.8377 -40.8377 -40.8377 -40.2843 -40.2843 -40.2843 -40.2843 -7.8829 -7.8829 -7.8829 -7.8829 1.8143 1.8143 1.8143 1.8143 3.1913 3.1913 3.1932 3.1932 3.4452 3.4452 3.4471 3.4471 8.0271 8.0271 8.0276 8.0276 10.4965 10.4965 10.4972 10.4972 k = 0.0847 0.1468 0.2812 ( 8340 PWs) bands (ev): -41.0193 -41.0193 -41.0193 -41.0193 -40.8369 -40.8369 -40.8369 -40.8369 -40.2840 -40.2840 -40.2840 -40.2840 -7.8881 -7.8881 -7.8881 -7.8881 1.8071 1.8071 1.8071 1.8071 3.2445 3.2445 3.2463 3.2463 3.4785 3.4785 3.4802 3.4802 8.0363 8.0363 8.0368 8.0368 10.5142 10.5142 10.5150 10.5150 k = 0.0791 0.1370 0.2812 ( 8336 PWs) bands (ev): -41.0204 -41.0204 -41.0204 -41.0204 -40.8362 -40.8362 -40.8362 -40.8362 -40.2837 -40.2837 -40.2837 -40.2837 -7.8930 -7.8930 -7.8930 -7.8930 1.7998 1.7998 1.7998 1.7998 3.2971 3.2971 3.2988 3.2988 3.5102 3.5102 3.5118 3.5118 8.0435 8.0435 8.0439 8.0439 10.5351 10.5351 10.5358 10.5358 k = 0.0734 0.1272 0.2812 ( 8344 PWs) bands (ev): -41.0215 -41.0215 -41.0215 -41.0215 -40.8355 -40.8355 -40.8355 -40.8355 -40.2835 -40.2835 -40.2835 -40.2835 -7.8976 -7.8976 -7.8976 -7.8976 1.7925 1.7925 1.7926 1.7926 3.3488 3.3488 3.3503 3.3503 3.5403 3.5403 3.5418 3.5418 8.0487 8.0487 8.0490 8.0490 10.5592 10.5592 10.5599 10.5599 k = 0.0678 0.1174 0.2812 ( 8332 PWs) bands (ev): -41.0225 -41.0225 -41.0225 -41.0225 -40.8348 -40.8348 -40.8348 -40.8348 -40.2833 -40.2833 -40.2833 -40.2833 -7.9020 -7.9020 -7.9020 -7.9020 1.7854 1.7854 1.7855 1.7855 3.3990 3.3990 3.4004 3.4004 3.5687 3.5687 3.5701 3.5701 8.0519 8.0519 8.0522 8.0522 10.5868 10.5868 10.5874 10.5874 k = 0.0621 0.1076 0.2812 ( 8328 PWs) bands (ev): -41.0234 -41.0234 -41.0234 -41.0234 -40.8343 -40.8343 -40.8343 -40.8343 -40.2831 -40.2831 -40.2831 -40.2831 -7.9060 -7.9060 -7.9060 -7.9060 1.7786 1.7786 1.7786 1.7786 3.4474 3.4474 3.4487 3.4487 3.5952 3.5952 3.5965 3.5965 8.0534 8.0534 8.0536 8.0536 10.6180 10.6180 10.6185 10.6185 k = 0.0565 0.0979 0.2812 ( 8328 PWs) bands (ev): -41.0243 -41.0243 -41.0243 -41.0243 -40.8337 -40.8337 -40.8337 -40.8337 -40.2829 -40.2829 -40.2829 -40.2829 -7.9098 -7.9098 -7.9098 -7.9098 1.7721 1.7721 1.7721 1.7721 3.4934 3.4934 3.4946 3.4946 3.6198 3.6198 3.6210 3.6210 8.0533 8.0533 8.0534 8.0534 10.6527 10.6527 10.6533 10.6533 k = 0.0508 0.0881 0.2812 ( 8336 PWs) bands (ev): -41.0251 -41.0251 -41.0251 -41.0251 -40.8332 -40.8332 -40.8332 -40.8332 -40.2827 -40.2827 -40.2827 -40.2827 -7.9132 -7.9132 -7.9132 -7.9132 1.7660 1.7660 1.7660 1.7660 3.5368 3.5368 3.5378 3.5378 3.6424 3.6424 3.6435 3.6435 8.0519 8.0519 8.0520 8.0520 10.6911 10.6911 10.6916 10.6916 k = 0.0452 0.0783 0.2812 ( 8336 PWs) bands (ev): -41.0258 -41.0258 -41.0258 -41.0258 -40.8328 -40.8328 -40.8328 -40.8328 -40.2825 -40.2825 -40.2825 -40.2825 -7.9163 -7.9163 -7.9163 -7.9163 1.7604 1.7604 1.7604 1.7604 3.5769 3.5769 3.5778 3.5778 3.6629 3.6629 3.6638 3.6638 8.0494 8.0494 8.0495 8.0495 10.7331 10.7331 10.7335 10.7335 k = 0.0395 0.0685 0.2812 ( 8332 PWs) bands (ev): -41.0264 -41.0264 -41.0264 -41.0264 -40.8324 -40.8324 -40.8324 -40.8324 -40.2824 -40.2824 -40.2824 -40.2824 -7.9190 -7.9190 -7.9190 -7.9190 1.7554 1.7554 1.7554 1.7554 3.6135 3.6135 3.6143 3.6143 3.6812 3.6812 3.6820 3.6820 8.0462 8.0462 8.0462 8.0462 10.7784 10.7784 10.7788 10.7788 k = 0.0339 0.0587 0.2812 ( 8344 PWs) bands (ev): -41.0269 -41.0269 -41.0269 -41.0269 -40.8321 -40.8321 -40.8321 -40.8321 -40.2822 -40.2822 -40.2822 -40.2822 -7.9214 -7.9214 -7.9214 -7.9214 1.7509 1.7509 1.7509 1.7509 3.6460 3.6460 3.6467 3.6467 3.6973 3.6973 3.6980 3.6980 8.0425 8.0425 8.0425 8.0425 10.8268 10.8268 10.8270 10.8270 k = 0.0282 0.0489 0.2812 ( 8344 PWs) bands (ev): -41.0274 -41.0274 -41.0274 -41.0274 -40.8318 -40.8318 -40.8318 -40.8318 -40.2821 -40.2821 -40.2821 -40.2821 -7.9235 -7.9235 -7.9235 -7.9235 1.7470 1.7470 1.7470 1.7470 3.6742 3.6742 3.6747 3.6747 3.7111 3.7111 3.7117 3.7117 8.0387 8.0387 8.0387 8.0387 10.8776 10.8776 10.8778 10.8778 k = 0.0226 0.0391 0.2812 ( 8350 PWs) bands (ev): -41.0278 -41.0278 -41.0278 -41.0278 -40.8316 -40.8316 -40.8316 -40.8316 -40.2820 -40.2820 -40.2820 -40.2820 -7.9251 -7.9251 -7.9251 -7.9251 1.7439 1.7439 1.7439 1.7439 3.6975 3.6975 3.6979 3.6979 3.7227 3.7227 3.7231 3.7231 8.0352 8.0352 8.0352 8.0352 10.9298 10.9298 10.9300 10.9300 k = 0.0169 0.0294 0.2812 ( 8346 PWs) bands (ev): -41.0281 -41.0281 -41.0281 -41.0281 -40.8314 -40.8314 -40.8314 -40.8314 -40.2820 -40.2820 -40.2820 -40.2820 -7.9265 -7.9265 -7.9265 -7.9265 1.7413 1.7413 1.7413 1.7413 3.7156 3.7156 3.7159 3.7159 3.7322 3.7322 3.7324 3.7324 8.0321 8.0321 8.0321 8.0321 10.9818 10.9818 10.9819 10.9819 k = 0.0113 0.0196 0.2812 ( 8358 PWs) bands (ev): -41.0283 -41.0283 -41.0283 -41.0283 -40.8313 -40.8313 -40.8313 -40.8313 -40.2819 -40.2819 -40.2819 -40.2819 -7.9274 -7.9274 -7.9274 -7.9274 1.7395 1.7395 1.7395 1.7395 3.7280 3.7280 3.7281 3.7281 3.7397 3.7397 3.7398 3.7398 8.0297 8.0297 8.0297 8.0297 11.0297 11.0297 11.0297 11.0298 k = 0.0056 0.0098 0.2812 ( 8362 PWs) bands (ev): -41.0284 -41.0284 -41.0284 -41.0284 -40.8312 -40.8312 -40.8312 -40.8312 -40.2819 -40.2819 -40.2819 -40.2819 -7.9280 -7.9280 -7.9280 -7.9280 1.7385 1.7385 1.7385 1.7385 3.7348 3.7348 3.7348 3.7348 3.7450 3.7450 3.7450 3.7450 8.0282 8.0282 8.0282 8.0282 11.0664 11.0664 11.0665 11.0665 k = 0.0000 0.0000 0.2812 ( 8366 PWs) bands (ev): -41.0285 -41.0285 -41.0285 -41.0285 -40.8312 -40.8312 -40.8312 -40.8312 -40.2819 -40.2819 -40.2819 -40.2819 -7.9281 -7.9281 -7.9281 -7.9281 1.7381 1.7381 1.7381 1.7381 3.7368 3.7368 3.7368 3.7368 3.7469 3.7469 3.7469 3.7469 8.0277 8.0277 8.0277 8.0277 11.0808 11.0809 11.0810 11.0811 k = 0.5000 0.2887 0.2812 ( 8372 PWs) bands (ev): -40.9718 -40.9718 -40.9718 -40.9718 -40.8703 -40.8703 -40.8703 -40.8703 -40.2928 -40.2928 -40.2928 -40.2928 -7.7120 -7.7120 -7.7120 -7.7120 1.2831 1.2831 1.2831 1.2831 2.6963 2.6963 2.6963 2.6963 2.7218 2.7218 2.7218 2.7218 6.8474 6.8474 6.8474 6.8474 11.2818 11.2818 11.2818 11.2818 k = 0.5000 0.2887 0.2700 ( 8380 PWs) bands (ev): -40.9732 -40.9732 -40.9703 -40.9703 -40.8717 -40.8717 -40.8688 -40.8688 -40.2929 -40.2929 -40.2927 -40.2927 -7.7133 -7.7133 -7.7107 -7.7107 1.2622 1.2622 1.3050 1.3050 2.6670 2.6670 2.7078 2.7078 2.7253 2.7253 2.7349 2.7349 6.8029 6.8029 6.8947 6.8947 11.2142 11.2142 11.3490 11.3490 k = 0.5000 0.2887 0.2587 ( 8372 PWs) bands (ev): -40.9746 -40.9746 -40.9688 -40.9688 -40.8733 -40.8733 -40.8674 -40.8674 -40.2930 -40.2930 -40.2926 -40.2926 -7.7146 -7.7146 -7.7095 -7.7095 1.2425 1.2425 1.3281 1.3281 2.6380 2.6380 2.6926 2.6926 2.7422 2.7422 2.7582 2.7582 6.7612 6.7612 6.9444 6.9444 11.1464 11.1464 11.4157 11.4158 k = 0.5000 0.2887 0.2475 ( 8368 PWs) bands (ev): -40.9760 -40.9760 -40.9672 -40.9672 -40.8748 -40.8748 -40.8660 -40.8660 -40.2932 -40.2932 -40.2925 -40.2925 -7.7158 -7.7158 -7.7083 -7.7083 1.2239 1.2239 1.3523 1.3523 2.6095 2.6095 2.6761 2.6761 2.7506 2.7506 2.7881 2.7881 6.7227 6.7227 6.9962 6.9962 11.0786 11.0786 11.4817 11.4817 k = 0.5000 0.2887 0.2362 ( 8366 PWs) bands (ev): -40.9773 -40.9773 -40.9656 -40.9656 -40.8764 -40.8764 -40.8647 -40.8647 -40.2933 -40.2933 -40.2924 -40.2924 -7.7171 -7.7171 -7.7070 -7.7070 1.2064 1.2064 1.3775 1.3775 2.5817 2.5817 2.6584 2.6584 2.7563 2.7563 2.8185 2.8185 6.6874 6.6874 7.0499 7.0499 11.0110 11.0110 11.5140 11.5140 k = 0.5000 0.2887 0.2250 ( 8358 PWs) bands (ev): -40.9785 -40.9785 -40.9640 -40.9640 -40.8780 -40.8780 -40.8634 -40.8634 -40.2934 -40.2934 -40.2923 -40.2923 -7.7184 -7.7184 -7.7059 -7.7059 1.1900 1.1900 1.4037 1.4037 2.5546 2.5546 2.6399 2.6399 2.7596 2.7596 2.8488 2.8488 6.6556 6.6556 7.1051 7.1051 10.9439 10.9439 11.4377 11.4377 k = 0.5000 0.2887 0.2137 ( 8370 PWs) bands (ev): -40.9798 -40.9798 -40.9623 -40.9623 -40.8797 -40.8797 -40.8622 -40.8622 -40.2935 -40.2935 -40.2922 -40.2922 -7.7196 -7.7196 -7.7047 -7.7047 1.1747 1.1747 1.4309 1.4309 2.5284 2.5284 2.6206 2.6206 2.7603 2.7603 2.8791 2.8791 6.6272 6.6272 7.1615 7.1615 10.8774 10.8774 11.3624 11.3624 k = 0.5000 0.2887 0.2025 ( 8368 PWs) bands (ev): -40.9809 -40.9809 -40.9606 -40.9606 -40.8814 -40.8814 -40.8611 -40.8611 -40.2936 -40.2936 -40.2920 -40.2920 -7.7208 -7.7208 -7.7036 -7.7036 1.1604 1.1604 1.4591 1.4591 2.5031 2.5031 2.6009 2.6009 2.7585 2.7585 2.9090 2.9090 6.6023 6.6023 7.2187 7.2187 10.8117 10.8117 11.2885 11.2885 k = 0.5000 0.2887 0.1912 ( 8374 PWs) bands (ev): -40.9820 -40.9820 -40.9589 -40.9589 -40.8831 -40.8831 -40.8600 -40.8600 -40.2937 -40.2937 -40.2920 -40.2920 -7.7220 -7.7220 -7.7025 -7.7025 1.1473 1.1473 1.4881 1.4881 2.4788 2.4788 2.5810 2.5810 2.7540 2.7540 2.9384 2.9384 6.5808 6.5808 7.2762 7.2762 10.7471 10.7471 11.2164 11.2164 k = 0.5000 0.2887 0.1800 ( 8370 PWs) bands (ev): -40.9831 -40.9831 -40.9572 -40.9572 -40.8848 -40.8848 -40.8589 -40.8589 -40.2938 -40.2938 -40.2919 -40.2919 -7.7231 -7.7231 -7.7015 -7.7015 1.1351 1.1351 1.5179 1.5179 2.4556 2.4556 2.5610 2.5610 2.7470 2.7470 2.9672 2.9672 6.5628 6.5628 7.3338 7.3338 10.6839 10.6839 11.1464 11.1464 k = 0.5000 0.2887 0.1687 ( 8372 PWs) bands (ev): -40.9841 -40.9841 -40.9555 -40.9555 -40.8866 -40.8866 -40.8579 -40.8579 -40.2939 -40.2939 -40.2918 -40.2918 -7.7242 -7.7242 -7.7005 -7.7005 1.1240 1.1240 1.5483 1.5483 2.4335 2.4335 2.5412 2.5412 2.7375 2.7375 2.9953 2.9953 6.5480 6.5480 7.3910 7.3910 10.6223 10.6223 11.0787 11.0787 k = 0.5000 0.2887 0.1575 ( 8382 PWs) bands (ev): -40.9850 -40.9850 -40.9538 -40.9538 -40.8883 -40.8883 -40.8570 -40.8570 -40.2940 -40.2940 -40.2917 -40.2917 -7.7253 -7.7253 -7.6995 -7.6995 1.1138 1.1138 1.5794 1.5794 2.4126 2.4126 2.5217 2.5217 2.7256 2.7256 3.0225 3.0225 6.5362 6.5362 7.4474 7.4474 10.5625 10.5625 11.0138 11.0138 k = 0.5000 0.2887 0.1462 ( 8378 PWs) bands (ev): -40.9859 -40.9859 -40.9520 -40.9520 -40.8900 -40.8900 -40.8561 -40.8561 -40.2941 -40.2941 -40.2916 -40.2916 -7.7263 -7.7263 -7.6986 -7.6986 1.1045 1.1045 1.6110 1.6110 2.3929 2.3929 2.5027 2.5027 2.7113 2.7113 3.0486 3.0486 6.5274 6.5274 7.5026 7.5026 10.5050 10.5050 10.9519 10.9519 k = 0.5000 0.2887 0.1350 ( 8368 PWs) bands (ev): -40.9867 -40.9867 -40.9503 -40.9503 -40.8918 -40.8918 -40.8553 -40.8553 -40.2941 -40.2941 -40.2915 -40.2915 -7.7273 -7.7273 -7.6978 -7.6978 1.0962 1.0962 1.6428 1.6428 2.3744 2.3744 2.4844 2.4844 2.6950 2.6950 3.0735 3.0735 6.5211 6.5211 7.5560 7.5560 10.4499 10.4499 10.8932 10.8932 k = 0.5000 0.2887 0.1237 ( 8356 PWs) bands (ev): -40.9874 -40.9874 -40.9486 -40.9486 -40.8935 -40.8935 -40.8545 -40.8545 -40.2942 -40.2942 -40.2914 -40.2914 -7.7282 -7.7282 -7.6970 -7.6970 1.0887 1.0887 1.6748 1.6748 2.3573 2.3573 2.4669 2.4669 2.6769 2.6769 3.0971 3.0971 6.5172 6.5172 7.6074 7.6074 10.3976 10.3976 10.8381 10.8381 k = 0.5000 0.2887 0.1125 ( 8356 PWs) bands (ev): -40.9881 -40.9881 -40.9469 -40.9469 -40.8952 -40.8952 -40.8538 -40.8538 -40.2943 -40.2943 -40.2914 -40.2914 -7.7290 -7.7290 -7.6963 -7.6963 1.0820 1.0820 1.7067 1.7067 2.3416 2.3416 2.4504 2.4504 2.6572 2.6572 3.1192 3.1192 6.5152 6.5152 7.6561 7.6561 10.3484 10.3484 10.7869 10.7869 k = 0.5000 0.2887 0.1012 ( 8352 PWs) bands (ev): -40.9887 -40.9887 -40.9452 -40.9452 -40.8968 -40.8968 -40.8532 -40.8532 -40.2943 -40.2943 -40.2913 -40.2913 -7.7298 -7.7298 -7.6957 -7.6957 1.0761 1.0761 1.7382 1.7382 2.3272 2.3272 2.4351 2.4351 2.6364 2.6364 3.1397 3.1397 6.5149 6.5149 7.7019 7.7019 10.3026 10.3026 10.7397 10.7397 k = 0.5000 0.2887 0.0900 ( 8348 PWs) bands (ev): -40.9893 -40.9893 -40.9436 -40.9436 -40.8984 -40.8984 -40.8526 -40.8526 -40.2944 -40.2944 -40.2912 -40.2912 -7.7305 -7.7305 -7.6951 -7.6951 1.0710 1.0710 1.7690 1.7690 2.3143 2.3143 2.4210 2.4210 2.6148 2.6148 3.1584 3.1584 6.5159 6.5159 7.7443 7.7443 10.2606 10.2606 10.6968 10.6968 k = 0.5000 0.2887 0.0787 ( 8346 PWs) bands (ev): -40.9898 -40.9898 -40.9421 -40.9421 -40.9000 -40.9000 -40.8521 -40.8521 -40.2944 -40.2944 -40.2912 -40.2912 -7.7311 -7.7311 -7.6946 -7.6946 1.0665 1.0665 1.7986 1.7986 2.3029 2.3029 2.4083 2.4083 2.5930 2.5930 3.1753 3.1753 6.5178 6.5178 7.7828 7.7828 10.2226 10.2226 10.6585 10.6585 k = 0.5000 0.2887 0.0675 ( 8368 PWs) bands (ev): -40.9902 -40.9902 -40.9406 -40.9406 -40.9014 -40.9014 -40.8517 -40.8517 -40.2945 -40.2945 -40.2911 -40.2911 -7.7317 -7.7317 -7.6941 -7.6941 1.0628 1.0628 1.8266 1.8266 2.2929 2.2929 2.3971 2.3971 2.5715 2.5715 3.1901 3.1901 6.5203 6.5203 7.8170 7.8170 10.1890 10.1890 10.6248 10.6248 k = 0.5000 0.2887 0.0562 ( 8360 PWs) bands (ev): -40.9906 -40.9906 -40.9393 -40.9393 -40.9027 -40.9027 -40.8514 -40.8514 -40.2945 -40.2945 -40.2911 -40.2911 -7.7321 -7.7321 -7.6937 -7.6937 1.0596 1.0596 1.8524 1.8524 2.2844 2.2844 2.3874 2.3874 2.5511 2.5511 3.2029 3.2029 6.5231 6.5231 7.8467 7.8467 10.1600 10.1600 10.5960 10.5960 k = 0.5000 0.2887 0.0450 ( 8368 PWs) bands (ev): -40.9909 -40.9909 -40.9382 -40.9382 -40.9039 -40.9039 -40.8511 -40.8511 -40.2946 -40.2946 -40.2911 -40.2911 -7.7325 -7.7325 -7.6934 -7.6934 1.0571 1.0571 1.8752 1.8752 2.2774 2.2774 2.3794 2.3794 2.5326 2.5326 3.2135 3.2135 6.5258 6.5258 7.8715 7.8715 10.1359 10.1359 10.5723 10.5723 k = 0.5000 0.2887 0.0337 ( 8370 PWs) bands (ev): -40.9911 -40.9911 -40.9372 -40.9372 -40.9049 -40.9049 -40.8508 -40.8508 -40.2946 -40.2946 -40.2910 -40.2910 -7.7328 -7.7328 -7.6931 -7.6931 1.0552 1.0552 1.8943 1.8943 2.2720 2.2720 2.3731 2.3731 2.5168 2.5168 3.2218 3.2218 6.5282 6.5282 7.8910 7.8910 10.1169 10.1169 10.5537 10.5537 k = 0.5000 0.2887 0.0225 ( 8376 PWs) bands (ev): -40.9913 -40.9913 -40.9365 -40.9365 -40.9056 -40.9056 -40.8507 -40.8507 -40.2946 -40.2946 -40.2910 -40.2910 -7.7330 -7.7330 -7.6930 -7.6930 1.0538 1.0538 1.9087 1.9087 2.2681 2.2681 2.3686 2.3686 2.5046 2.5046 3.2277 3.2277 6.5300 6.5300 7.9052 7.9052 10.1033 10.1033 10.5403 10.5403 k = 0.5000 0.2887 0.0112 ( 8394 PWs) bands (ev): -40.9914 -40.9914 -40.9360 -40.9360 -40.9061 -40.9061 -40.8506 -40.8506 -40.2946 -40.2946 -40.2910 -40.2910 -7.7332 -7.7332 -7.6929 -7.6929 1.0530 1.0530 1.9178 1.9178 2.2658 2.2658 2.3659 2.3659 2.4969 2.4969 3.2313 3.2313 6.5312 6.5312 7.9137 7.9137 10.0950 10.0950 10.5323 10.5323 k = 0.5000 0.2887-0.0000 ( 8392 PWs) bands (ev): -40.9914 -40.9914 -40.9359 -40.9359 -40.9062 -40.9062 -40.8505 -40.8505 -40.2946 -40.2946 -40.2910 -40.2910 -7.7332 -7.7332 -7.6928 -7.6928 1.0527 1.0527 1.9208 1.9208 2.2650 2.2650 2.3650 2.3650 2.4943 2.4943 3.2325 3.2325 6.5316 6.5316 7.9166 7.9166 10.0922 10.0922 10.5296 10.5296 k = 0.3333 0.5774-0.0000 ( 8367 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6823 -7.6823 -7.6823 -7.6823 1.2812 1.2812 1.6060 1.6060 1.6121 1.6121 2.6803 2.6803 2.6804 2.6804 2.9980 2.9980 5.2343 5.2343 9.6700 9.6700 10.8381 10.8381 10.8388 10.8388 k = 0.3333 0.5774 0.0112 ( 8355 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6823 -7.6823 -7.6823 -7.6823 1.2822 1.2822 1.6057 1.6057 1.6118 1.6118 2.6808 2.6808 2.6809 2.6809 2.9940 2.9940 5.2400 5.2400 9.6643 9.6643 10.8322 10.8322 10.8329 10.8329 k = 0.3333 0.5774 0.0225 ( 8349 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6823 -7.6823 -7.6823 -7.6823 1.2851 1.2851 1.6048 1.6048 1.6109 1.6109 2.6822 2.6822 2.6823 2.6823 2.9823 2.9823 5.2571 5.2571 9.6474 9.6474 10.8150 10.8150 10.8157 10.8157 k = 0.3333 0.5774 0.0337 ( 8349 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2966 -40.2966 -40.2919 -40.2919 -7.6822 -7.6822 -7.6822 -7.6822 1.2901 1.2901 1.6033 1.6033 1.6094 1.6094 2.6846 2.6846 2.6846 2.6846 2.9633 2.9633 5.2852 5.2852 9.6194 9.6194 10.7876 10.7876 10.7883 10.7883 k = 0.3333 0.5774 0.0450 ( 8349 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2965 -40.2965 -40.2920 -40.2920 -7.6822 -7.6822 -7.6822 -7.6822 1.2970 1.2970 1.6012 1.6012 1.6073 1.6073 2.6878 2.6878 2.6878 2.6878 2.9374 2.9374 5.3237 5.3237 9.5809 9.5809 10.7516 10.7516 10.7523 10.7523 k = 0.3333 0.5774 0.0562 ( 8364 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2965 -40.2965 -40.2920 -40.2920 -7.6822 -7.6822 -7.6822 -7.6822 1.3060 1.3060 1.5986 1.5986 1.6047 1.6047 2.6918 2.6918 2.6918 2.6918 2.9054 2.9054 5.3719 5.3719 9.5321 9.5321 10.7090 10.7090 10.7096 10.7096 k = 0.3333 0.5774 0.0675 ( 8364 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2964 -40.2964 -40.2921 -40.2921 -7.6821 -7.6821 -7.6821 -7.6821 1.3169 1.3169 1.5956 1.5956 1.6016 1.6016 2.6965 2.6965 2.6965 2.6965 2.8680 2.8680 5.4290 5.4290 9.4739 9.4739 10.6614 10.6614 10.6619 10.6619 k = 0.3333 0.5774 0.0787 ( 8352 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2964 -40.2964 -40.2921 -40.2921 -7.6821 -7.6821 -7.6821 -7.6821 1.3297 1.3297 1.5921 1.5921 1.5982 1.5982 2.7019 2.7019 2.7019 2.7019 2.8261 2.8261 5.4943 5.4943 9.4068 9.4068 10.6104 10.6104 10.6109 10.6109 k = 0.3333 0.5774 0.0900 ( 8352 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8781 -40.8781 -40.8781 -40.8781 -40.2963 -40.2963 -40.2922 -40.2922 -7.6820 -7.6820 -7.6820 -7.6820 1.3446 1.3446 1.5883 1.5883 1.5943 1.5943 2.7079 2.7079 2.7079 2.7079 2.7805 2.7805 5.5668 5.5668 9.3315 9.3315 10.5575 10.5575 10.5580 10.5580 k = 0.3333 0.5774 0.1012 ( 8352 PWs) bands (ev): -40.9616 -40.9616 -40.9616 -40.9616 -40.8782 -40.8782 -40.8782 -40.8782 -40.2962 -40.2962 -40.2923 -40.2923 -7.6819 -7.6819 -7.6819 -7.6819 1.3614 1.3614 1.5843 1.5843 1.5902 1.5902 2.7137 2.7137 2.7143 2.7143 2.7323 2.7323 5.6459 5.6459 9.2488 9.2488 10.5039 10.5039 10.5043 10.5043 k = 0.3333 0.5774 0.1125 ( 8346 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2961 -40.2961 -40.2923 -40.2923 -7.6819 -7.6819 -7.6819 -7.6819 1.3801 1.3801 1.5800 1.5800 1.5859 1.5859 2.6799 2.6799 2.7211 2.7211 2.7217 2.7217 5.7309 5.7309 9.1594 9.1594 10.4504 10.4504 10.4508 10.4508 k = 0.3333 0.5774 0.1237 ( 8355 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2960 -40.2960 -40.2924 -40.2924 -7.6818 -7.6818 -7.6818 -7.6818 1.4008 1.4008 1.5756 1.5756 1.5815 1.5815 2.6271 2.6271 2.7281 2.7281 2.7285 2.7285 5.8211 5.8211 9.0640 9.0640 10.3978 10.3978 10.3982 10.3982 k = 0.3333 0.5774 0.1350 ( 8352 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2959 -40.2959 -40.2926 -40.2926 -7.6817 -7.6817 -7.6817 -7.6817 1.4234 1.4234 1.5711 1.5711 1.5770 1.5770 2.5727 2.5727 2.7353 2.7353 2.7357 2.7357 5.9160 5.9160 8.9632 8.9632 10.3469 10.3469 10.3473 10.3473 k = 0.3333 0.5774 0.1462 ( 8391 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2959 -40.2959 -40.2927 -40.2927 -7.6816 -7.6816 -7.6816 -7.6816 1.4479 1.4479 1.5667 1.5667 1.5725 1.5725 2.5175 2.5175 2.7425 2.7425 2.7428 2.7428 6.0152 6.0152 8.8578 8.8578 10.2982 10.2982 10.2985 10.2985 k = 0.3333 0.5774 0.1575 ( 8391 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2958 -40.2958 -40.2928 -40.2928 -7.6815 -7.6815 -7.6815 -7.6815 1.4743 1.4743 1.5623 1.5623 1.5681 1.5681 2.4617 2.4617 2.7495 2.7495 2.7499 2.7499 6.1182 6.1182 8.7484 8.7484 10.2520 10.2520 10.2523 10.2523 k = 0.3333 0.5774 0.1687 ( 8391 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2956 -40.2956 -40.2929 -40.2929 -7.6815 -7.6815 -7.6815 -7.6815 1.5025 1.5025 1.5581 1.5581 1.5639 1.5639 2.4058 2.4058 2.7564 2.7564 2.7568 2.7568 6.2245 6.2245 8.6354 8.6354 10.2088 10.2088 10.2091 10.2091 k = 0.3333 0.5774 0.1800 ( 8397 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2955 -40.2955 -40.2930 -40.2930 -7.6814 -7.6814 -7.6814 -7.6814 1.5327 1.5327 1.5541 1.5541 1.5598 1.5598 2.3499 2.3499 2.7630 2.7630 2.7634 2.7634 6.3339 6.3339 8.5194 8.5194 10.1690 10.1690 10.1692 10.1692 k = 0.3333 0.5774 0.1912 ( 8388 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2954 -40.2954 -40.2931 -40.2931 -7.6813 -7.6813 -7.6813 -7.6813 1.5503 1.5503 1.5560 1.5560 1.5647 1.5647 2.2945 2.2945 2.7691 2.7691 2.7696 2.7696 6.4460 6.4460 8.4009 8.4009 10.1326 10.1326 10.1329 10.1329 k = 0.3333 0.5774 0.2025 ( 8364 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2953 -40.2953 -40.2933 -40.2933 -7.6813 -7.6813 -7.6813 -7.6813 1.5469 1.5469 1.5526 1.5526 1.5985 1.5985 2.2395 2.2395 2.7748 2.7748 2.7753 2.7753 6.5605 6.5605 8.2804 8.2804 10.1001 10.1001 10.1003 10.1003 k = 0.3333 0.5774 0.2137 ( 8364 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2951 -40.2951 -40.2934 -40.2934 -7.6812 -7.6812 -7.6812 -7.6812 1.5438 1.5438 1.5495 1.5495 1.6341 1.6341 2.1854 2.1854 2.7799 2.7799 2.7804 2.7804 6.6772 6.6772 8.1582 8.1582 10.0716 10.0716 10.0718 10.0718 k = 0.3333 0.5774 0.2250 ( 8346 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2950 -40.2950 -40.2935 -40.2935 -7.6812 -7.6812 -7.6812 -7.6812 1.5411 1.5411 1.5468 1.5468 1.6714 1.6714 2.1321 2.1321 2.7843 2.7843 2.7848 2.7848 6.7959 6.7959 8.0347 8.0347 10.0472 10.0472 10.0473 10.0473 k = 0.3333 0.5774 0.2362 ( 8334 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2948 -40.2948 -40.2937 -40.2937 -7.6811 -7.6811 -7.6811 -7.6811 1.5389 1.5389 1.5446 1.5446 1.7105 1.7105 2.0799 2.0799 2.7880 2.7880 2.7886 2.7886 6.9162 6.9162 7.9103 7.9103 10.0270 10.0270 10.0272 10.0272 k = 0.3333 0.5774 0.2475 ( 8322 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2947 -40.2947 -40.2938 -40.2938 -7.6811 -7.6811 -7.6811 -7.6811 1.5372 1.5372 1.5428 1.5428 1.7513 1.7513 2.0288 2.0288 2.7910 2.7910 2.7915 2.7915 7.0379 7.0379 7.7853 7.7853 10.0113 10.0113 10.0114 10.0114 k = 0.3333 0.5774 0.2587 ( 8313 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2945 -40.2945 -40.2939 -40.2939 -7.6811 -7.6811 -7.6811 -7.6811 1.5359 1.5359 1.5415 1.5415 1.7937 1.7937 1.9790 1.9790 2.7931 2.7931 2.7937 2.7937 7.1608 7.1608 7.6599 7.6599 10.0000 10.0000 10.0001 10.0001 k = 0.3333 0.5774 0.2700 ( 8313 PWs) bands (ev): -40.9614 -40.9614 -40.9614 -40.9614 -40.8782 -40.8782 -40.8782 -40.8782 -40.2944 -40.2944 -40.2941 -40.2941 -7.6810 -7.6810 -7.6810 -7.6810 1.5351 1.5351 1.5407 1.5407 1.8377 1.8377 1.9305 1.9305 2.7944 2.7944 2.7950 2.7950 7.2847 7.2847 7.5346 7.5346 9.9931 9.9931 9.9933 9.9933 k = 0.3333 0.5774 0.2812 ( 8322 PWs) bands (ev): -40.9615 -40.9615 -40.9615 -40.9615 -40.8782 -40.8782 -40.8782 -40.8782 -40.2942 -40.2942 -40.2942 -40.2942 -7.6810 -7.6810 -7.6810 -7.6810 1.5348 1.5348 1.5405 1.5405 1.8805 1.8805 1.8862 1.8862 2.7948 2.7948 2.7954 2.7954 7.4074 7.4074 7.4114 7.4114 9.9909 9.9909 9.9910 9.9910 Writing output data file Li3N.save init_run : 0.09s CPU 0.19s WALL ( 1 calls) electrons : 144.17s CPU 146.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 144.16s CPU 146.26s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 364 calls) cegterg : 120.23s CPU 121.56s WALL ( 437 calls) Called by sum_band: Called by *egterg: h_psi : 96.81s CPU 98.29s WALL ( 7038 calls) s_psi : 2.86s CPU 2.88s WALL ( 7038 calls) g_psi : 0.24s CPU 0.29s WALL ( 6237 calls) cdiaghg : 25.65s CPU 25.97s WALL ( 6601 calls) cegterg:over : 5.14s CPU 4.95s WALL ( 6237 calls) cegterg:upda : 5.21s CPU 5.05s WALL ( 6237 calls) cegterg:last : 2.72s CPU 2.89s WALL ( 1165 calls) cdiaghg:chol : 1.43s CPU 1.55s WALL ( 6601 calls) cdiaghg:inve : 0.54s CPU 0.57s WALL ( 6601 calls) cdiaghg:para : 1.59s CPU 1.62s WALL ( 13202 calls) Called by h_psi: h_psi:vloc : 89.15s CPU 90.51s WALL ( 7038 calls) h_psi:vnl : 7.37s CPU 7.48s WALL ( 7038 calls) add_vuspsi : 3.17s CPU 3.13s WALL ( 7038 calls) General routines calbec : 4.17s CPU 4.34s WALL ( 7038 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 84.50s CPU 85.96s WALL ( 561096 calls) davcio : 0.19s CPU 0.31s WALL ( 728 calls) Parallel routines fft_scatter : 27.00s CPU 27.47s WALL ( 561111 calls) PWSCF : 2m42.70s CPU 3m 0.85s WALL This run was terminated on: 20:20: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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