Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 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: ./Zr2SN2.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 28 18 5 2628 1292 206 Max 29 19 7 2643 1308 216 Sum 1039 649 199 94969 46765 7553 bravais-lattice index = 14 lattice parameter (alat) = 6.8238 a.u. unit-cell volume = 976.7927 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.823801 celldm(2)= 1.000000 celldm(3)= 3.549709 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 3.549709 ) 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 0.281713 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 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 S 6.00 32.06500 S( 1.00) Zr 4.00 91.22400 Zr( 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 ) ( 1.7748546 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7748546 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7748546 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7748546 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7748546 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7748546 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.7748546 ) 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= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0030488 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0030488 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0030488 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0030488 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0030488 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0030488 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0030488 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030488 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0030488 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0030488 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0030488 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0030488 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0030488 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0030488 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0030488 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0030488 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0030488 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0030488 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0030488 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0030488 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0030488 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0030488 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0030488 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0030488 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030488 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0030488 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0030488 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0030488 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0030488 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0030488 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0030488 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0030488 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0030488 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0030488 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0030488 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0030488 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0030488 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0030488 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0030488 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0030488 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0030488 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0030488 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0030488 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0030488 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0030488 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0030488 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0030488 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0030488 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0030488 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030488 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0030488 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0030488 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0030488 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0030488 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030488 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0030488 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0030488 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0030488 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0030488 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030488 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0030488 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0030488 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0030488 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0030488 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0030488 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0030488 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0030488 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0030488 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0030488 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0030488 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0030488 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0030488 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0030488 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0030488 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0030488 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0030488 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0030488 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0030488 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0030488 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0030488 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0030488 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0030488 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0030488 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0030488 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0030488 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0030488 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0030488 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0030488 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0030488 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0030488 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0030488 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0030488 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0030488 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0030488 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0030488 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0030488 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0030488 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0030488 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0030488 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0030488 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0030488 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0030488 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0030488 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0030488 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0030488 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0030488 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0030488 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0030488 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0030488 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0030488 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0030488 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0030488 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0030488 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0030488 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0030488 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0030488 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0030488 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0030488 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0030488 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0030488 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0030488 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0030488 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0030488 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0030488 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0030488 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0030488 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.0108351), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.0216702), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.0325054), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.0433405), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0541756), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.0650107), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.0758459), wk = 0.0030488 k( 152) = ( 0.0000000 0.0000000 0.0866810), wk = 0.0030488 k( 153) = ( 0.0000000 0.0000000 0.0975161), wk = 0.0030488 k( 154) = ( 0.0000000 0.0000000 0.1083512), wk = 0.0030488 k( 155) = ( 0.0000000 0.0000000 0.1191864), wk = 0.0030488 k( 156) = ( 0.0000000 0.0000000 0.1300215), wk = 0.0030488 k( 157) = ( 0.0000000 0.0000000 0.1408566), wk = 0.0030488 k( 158) = ( 0.0000000 0.0000000 0.1408566), wk = 0.0030488 k( 159) = ( 0.0098039 0.0056603 0.1408566), wk = 0.0030488 k( 160) = ( 0.0196078 0.0113206 0.1408566), wk = 0.0030488 k( 161) = ( 0.0294118 0.0169809 0.1408566), wk = 0.0030488 k( 162) = ( 0.0392157 0.0226412 0.1408566), wk = 0.0030488 k( 163) = ( 0.0490196 0.0283015 0.1408566), wk = 0.0030488 k( 164) = ( 0.0588235 0.0339618 0.1408566), wk = 0.0030488 k( 165) = ( 0.0686275 0.0396221 0.1408566), wk = 0.0030488 k( 166) = ( 0.0784314 0.0452824 0.1408566), wk = 0.0030488 k( 167) = ( 0.0882353 0.0509427 0.1408566), wk = 0.0030488 k( 168) = ( 0.0980392 0.0566030 0.1408566), wk = 0.0030488 k( 169) = ( 0.1078431 0.0622633 0.1408566), wk = 0.0030488 k( 170) = ( 0.1176471 0.0679236 0.1408566), wk = 0.0030488 k( 171) = ( 0.1274510 0.0735839 0.1408566), wk = 0.0030488 k( 172) = ( 0.1372549 0.0792442 0.1408566), wk = 0.0030488 k( 173) = ( 0.1470588 0.0849044 0.1408566), wk = 0.0030488 k( 174) = ( 0.1568627 0.0905648 0.1408566), wk = 0.0030488 k( 175) = ( 0.1666667 0.0962250 0.1408566), wk = 0.0030488 k( 176) = ( 0.1764706 0.1018853 0.1408566), wk = 0.0030488 k( 177) = ( 0.1862745 0.1075456 0.1408566), wk = 0.0030488 k( 178) = ( 0.1960784 0.1132059 0.1408566), wk = 0.0030488 k( 179) = ( 0.2058823 0.1188662 0.1408566), wk = 0.0030488 k( 180) = ( 0.2156863 0.1245265 0.1408566), wk = 0.0030488 k( 181) = ( 0.2254902 0.1301868 0.1408566), wk = 0.0030488 k( 182) = ( 0.2352941 0.1358471 0.1408566), wk = 0.0030488 k( 183) = ( 0.2450980 0.1415074 0.1408566), wk = 0.0030488 k( 184) = ( 0.2549020 0.1471677 0.1408566), wk = 0.0030488 k( 185) = ( 0.2647059 0.1528280 0.1408566), wk = 0.0030488 k( 186) = ( 0.2745098 0.1584883 0.1408566), wk = 0.0030488 k( 187) = ( 0.2843137 0.1641486 0.1408566), wk = 0.0030488 k( 188) = ( 0.2941177 0.1698089 0.1408566), wk = 0.0030488 k( 189) = ( 0.3039216 0.1754692 0.1408566), wk = 0.0030488 k( 190) = ( 0.3137255 0.1811295 0.1408566), wk = 0.0030488 k( 191) = ( 0.3235294 0.1867898 0.1408566), wk = 0.0030488 k( 192) = ( 0.3333333 0.1924501 0.1408566), wk = 0.0030488 k( 193) = ( 0.3431373 0.1981104 0.1408566), wk = 0.0030488 k( 194) = ( 0.3529412 0.2037707 0.1408566), wk = 0.0030488 k( 195) = ( 0.3627451 0.2094310 0.1408566), wk = 0.0030488 k( 196) = ( 0.3725490 0.2150913 0.1408566), wk = 0.0030488 k( 197) = ( 0.3823529 0.2207516 0.1408566), wk = 0.0030488 k( 198) = ( 0.3921569 0.2264119 0.1408566), wk = 0.0030488 k( 199) = ( 0.4019608 0.2320722 0.1408566), wk = 0.0030488 k( 200) = ( 0.4117647 0.2377325 0.1408566), wk = 0.0030488 k( 201) = ( 0.4215686 0.2433928 0.1408566), wk = 0.0030488 k( 202) = ( 0.4313726 0.2490531 0.1408566), wk = 0.0030488 k( 203) = ( 0.4411765 0.2547134 0.1408566), wk = 0.0030488 k( 204) = ( 0.4509804 0.2603736 0.1408566), wk = 0.0030488 k( 205) = ( 0.4607843 0.2660339 0.1408566), wk = 0.0030488 k( 206) = ( 0.4705882 0.2716942 0.1408566), wk = 0.0030488 k( 207) = ( 0.4803922 0.2773545 0.1408566), wk = 0.0030488 k( 208) = ( 0.4901961 0.2830148 0.1408566), wk = 0.0030488 k( 209) = ( 0.5000000 0.2886751 0.1408566), wk = 0.0030488 k( 210) = ( 0.5000000 0.2886751 0.1408566), wk = 0.0030488 k( 211) = ( 0.4944444 0.2982976 0.1408566), wk = 0.0030488 k( 212) = ( 0.4888889 0.3079201 0.1408566), wk = 0.0030488 k( 213) = ( 0.4833333 0.3175426 0.1408566), wk = 0.0030488 k( 214) = ( 0.4777778 0.3271651 0.1408566), wk = 0.0030488 k( 215) = ( 0.4722222 0.3367877 0.1408566), wk = 0.0030488 k( 216) = ( 0.4666667 0.3464102 0.1408566), wk = 0.0030488 k( 217) = ( 0.4611111 0.3560327 0.1408566), wk = 0.0030488 k( 218) = ( 0.4555556 0.3656552 0.1408566), wk = 0.0030488 k( 219) = ( 0.4500000 0.3752777 0.1408566), wk = 0.0030488 k( 220) = ( 0.4444444 0.3849002 0.1408566), wk = 0.0030488 k( 221) = ( 0.4388889 0.3945227 0.1408566), wk = 0.0030488 k( 222) = ( 0.4333333 0.4041452 0.1408566), wk = 0.0030488 k( 223) = ( 0.4277778 0.4137677 0.1408566), wk = 0.0030488 k( 224) = ( 0.4222222 0.4233902 0.1408566), wk = 0.0030488 k( 225) = ( 0.4166667 0.4330127 0.1408566), wk = 0.0030488 k( 226) = ( 0.4111111 0.4426352 0.1408566), wk = 0.0030488 k( 227) = ( 0.4055556 0.4522577 0.1408566), wk = 0.0030488 k( 228) = ( 0.4000000 0.4618802 0.1408566), wk = 0.0030488 k( 229) = ( 0.3944444 0.4715027 0.1408566), wk = 0.0030488 k( 230) = ( 0.3888889 0.4811252 0.1408566), wk = 0.0030488 k( 231) = ( 0.3833333 0.4907477 0.1408566), wk = 0.0030488 k( 232) = ( 0.3777778 0.5003702 0.1408566), wk = 0.0030488 k( 233) = ( 0.3722222 0.5099927 0.1408566), wk = 0.0030488 k( 234) = ( 0.3666667 0.5196152 0.1408566), wk = 0.0030488 k( 235) = ( 0.3611111 0.5292377 0.1408566), wk = 0.0030488 k( 236) = ( 0.3555556 0.5388603 0.1408566), wk = 0.0030488 k( 237) = ( 0.3500000 0.5484828 0.1408566), wk = 0.0030488 k( 238) = ( 0.3444444 0.5581053 0.1408566), wk = 0.0030488 k( 239) = ( 0.3388889 0.5677278 0.1408566), wk = 0.0030488 k( 240) = ( 0.3333333 0.5773503 0.1408566), wk = 0.0030488 k( 241) = ( 0.3333333 0.5773503 0.1408566), wk = 0.0030488 k( 242) = ( 0.3276836 0.5675647 0.1408566), wk = 0.0030488 k( 243) = ( 0.3220339 0.5577791 0.1408566), wk = 0.0030488 k( 244) = ( 0.3163842 0.5479935 0.1408566), wk = 0.0030488 k( 245) = ( 0.3107345 0.5382079 0.1408566), wk = 0.0030488 k( 246) = ( 0.3050848 0.5284223 0.1408566), wk = 0.0030488 k( 247) = ( 0.2994350 0.5186367 0.1408566), wk = 0.0030488 k( 248) = ( 0.2937853 0.5088511 0.1408566), wk = 0.0030488 k( 249) = ( 0.2881356 0.4990655 0.1408566), wk = 0.0030488 k( 250) = ( 0.2824859 0.4892799 0.1408566), wk = 0.0030488 k( 251) = ( 0.2768362 0.4794943 0.1408566), wk = 0.0030488 k( 252) = ( 0.2711864 0.4697087 0.1408566), wk = 0.0030488 k( 253) = ( 0.2655367 0.4599231 0.1408566), wk = 0.0030488 k( 254) = ( 0.2598870 0.4501375 0.1408566), wk = 0.0030488 k( 255) = ( 0.2542373 0.4403519 0.1408566), wk = 0.0030488 k( 256) = ( 0.2485876 0.4305663 0.1408566), wk = 0.0030488 k( 257) = ( 0.2429379 0.4207807 0.1408566), wk = 0.0030488 k( 258) = ( 0.2372881 0.4109951 0.1408566), wk = 0.0030488 k( 259) = ( 0.2316384 0.4012095 0.1408566), wk = 0.0030488 k( 260) = ( 0.2259887 0.3914239 0.1408566), wk = 0.0030488 k( 261) = ( 0.2203390 0.3816383 0.1408566), wk = 0.0030488 k( 262) = ( 0.2146893 0.3718527 0.1408566), wk = 0.0030488 k( 263) = ( 0.2090395 0.3620671 0.1408566), wk = 0.0030488 k( 264) = ( 0.2033898 0.3522815 0.1408566), wk = 0.0030488 k( 265) = ( 0.1977401 0.3424959 0.1408566), wk = 0.0030488 k( 266) = ( 0.1920904 0.3327103 0.1408566), wk = 0.0030488 k( 267) = ( 0.1864407 0.3229247 0.1408566), wk = 0.0030488 k( 268) = ( 0.1807910 0.3131391 0.1408566), wk = 0.0030488 k( 269) = ( 0.1751412 0.3033535 0.1408566), wk = 0.0030488 k( 270) = ( 0.1694915 0.2935679 0.1408566), wk = 0.0030488 k( 271) = ( 0.1638418 0.2837823 0.1408566), wk = 0.0030488 k( 272) = ( 0.1581921 0.2739967 0.1408566), wk = 0.0030488 k( 273) = ( 0.1525424 0.2642111 0.1408566), wk = 0.0030488 k( 274) = ( 0.1468927 0.2544256 0.1408566), wk = 0.0030488 k( 275) = ( 0.1412429 0.2446399 0.1408566), wk = 0.0030488 k( 276) = ( 0.1355932 0.2348543 0.1408566), wk = 0.0030488 k( 277) = ( 0.1299435 0.2250687 0.1408566), wk = 0.0030488 k( 278) = ( 0.1242938 0.2152832 0.1408566), wk = 0.0030488 k( 279) = ( 0.1186441 0.2054976 0.1408566), wk = 0.0030488 k( 280) = ( 0.1129943 0.1957120 0.1408566), wk = 0.0030488 k( 281) = ( 0.1073446 0.1859264 0.1408566), wk = 0.0030488 k( 282) = ( 0.1016949 0.1761408 0.1408566), wk = 0.0030488 k( 283) = ( 0.0960452 0.1663552 0.1408566), wk = 0.0030488 k( 284) = ( 0.0903955 0.1565696 0.1408566), wk = 0.0030488 k( 285) = ( 0.0847458 0.1467840 0.1408566), wk = 0.0030488 k( 286) = ( 0.0790961 0.1369984 0.1408566), wk = 0.0030488 k( 287) = ( 0.0734463 0.1272128 0.1408566), wk = 0.0030488 k( 288) = ( 0.0677966 0.1174272 0.1408566), wk = 0.0030488 k( 289) = ( 0.0621469 0.1076416 0.1408566), wk = 0.0030488 k( 290) = ( 0.0564972 0.0978560 0.1408566), wk = 0.0030488 k( 291) = ( 0.0508475 0.0880704 0.1408566), wk = 0.0030488 k( 292) = ( 0.0451977 0.0782848 0.1408566), wk = 0.0030488 k( 293) = ( 0.0395480 0.0684992 0.1408566), wk = 0.0030488 k( 294) = ( 0.0338983 0.0587136 0.1408566), wk = 0.0030488 k( 295) = ( 0.0282486 0.0489280 0.1408566), wk = 0.0030488 k( 296) = ( 0.0225989 0.0391424 0.1408566), wk = 0.0030488 k( 297) = ( 0.0169491 0.0293568 0.1408566), wk = 0.0030488 k( 298) = ( 0.0112994 0.0195712 0.1408566), wk = 0.0030488 k( 299) = ( 0.0056497 0.0097856 0.1408566), wk = 0.0030488 k( 300) = ( 0.0000000 0.0000000 0.1408566), wk = 0.0030488 k( 301) = ( 0.5000000 0.2886751 0.1408566), wk = 0.0030488 k( 302) = ( 0.5000000 0.2886751 0.1300215), wk = 0.0030488 k( 303) = ( 0.5000000 0.2886751 0.1191864), wk = 0.0030488 k( 304) = ( 0.5000000 0.2886751 0.1083512), wk = 0.0030488 k( 305) = ( 0.5000000 0.2886751 0.0975161), wk = 0.0030488 k( 306) = ( 0.5000000 0.2886751 0.0866810), wk = 0.0030488 k( 307) = ( 0.5000000 0.2886751 0.0758459), wk = 0.0030488 k( 308) = ( 0.5000000 0.2886751 0.0650107), wk = 0.0030488 k( 309) = ( 0.5000000 0.2886751 0.0541756), wk = 0.0030488 k( 310) = ( 0.5000000 0.2886751 0.0433405), wk = 0.0030488 k( 311) = ( 0.5000000 0.2886751 0.0325054), wk = 0.0030488 k( 312) = ( 0.5000000 0.2886751 0.0216702), wk = 0.0030488 k( 313) = ( 0.5000000 0.2886751 0.0108351), wk = 0.0030488 k( 314) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030488 k( 315) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030488 k( 316) = ( 0.3333333 0.5773503 0.0108351), wk = 0.0030488 k( 317) = ( 0.3333333 0.5773503 0.0216702), wk = 0.0030488 k( 318) = ( 0.3333333 0.5773503 0.0325054), wk = 0.0030488 k( 319) = ( 0.3333333 0.5773503 0.0433405), wk = 0.0030488 k( 320) = ( 0.3333333 0.5773503 0.0541756), wk = 0.0030488 k( 321) = ( 0.3333333 0.5773503 0.0650107), wk = 0.0030488 k( 322) = ( 0.3333333 0.5773503 0.0758459), wk = 0.0030488 k( 323) = ( 0.3333333 0.5773503 0.0866810), wk = 0.0030488 k( 324) = ( 0.3333333 0.5773503 0.0975161), wk = 0.0030488 k( 325) = ( 0.3333333 0.5773503 0.1083512), wk = 0.0030488 k( 326) = ( 0.3333333 0.5773503 0.1191864), wk = 0.0030488 k( 327) = ( 0.3333333 0.5773503 0.1300215), wk = 0.0030488 k( 328) = ( 0.3333333 0.5773503 0.1408566), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0098039 -0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0196078 -0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0294118 -0.0000000 0.0000000), wk = 0.0030488 k( 5) = ( 0.0392157 -0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0490196 -0.0000000 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0030488 k( 8) = ( 0.0686275 -0.0000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.0784314 -0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0980392 -0.0000000 -0.0000000), wk = 0.0030488 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0030488 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0030488 k( 14) = ( 0.1274510 -0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1372549 -0.0000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.1470588 -0.0000000 0.0000000), wk = 0.0030488 k( 17) = ( 0.1568627 -0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0030488 k( 19) = ( 0.1764706 -0.0000000 0.0000000), wk = 0.0030488 k( 20) = ( 0.1862745 -0.0000000 0.0000000), wk = 0.0030488 k( 21) = ( 0.1960784 -0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.2156863 -0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2254902 -0.0000000 0.0000000), wk = 0.0030488 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0030488 k( 27) = ( 0.2549020 -0.0000000 0.0000000), wk = 0.0030488 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0030488 k( 29) = ( 0.2745098 -0.0000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.2843137 -0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0030488 k( 32) = ( 0.3039216 -0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.3137255 -0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.3235294 -0.0000000 0.0000000), wk = 0.0030488 k( 35) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.3431373 -0.0000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.3529412 -0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0030488 k( 39) = ( 0.3725490 -0.0000000 0.0000000), wk = 0.0030488 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0030488 k( 41) = ( 0.3921569 -0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0030488 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0030488 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0030488 k( 45) = ( 0.4313726 -0.0000000 0.0000000), wk = 0.0030488 k( 46) = ( 0.4411765 -0.0000000 0.0000000), wk = 0.0030488 k( 47) = ( 0.4509804 -0.0000000 0.0000000), wk = 0.0030488 k( 48) = ( 0.4607843 -0.0000000 0.0000000), wk = 0.0030488 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0030488 k( 50) = ( 0.4803922 -0.0000000 0.0000000), wk = 0.0030488 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0030488 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0030488 k( 55) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0030488 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0030488 k( 57) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0030488 k( 58) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0030488 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0030488 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0030488 k( 61) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0030488 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0030488 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0030488 k( 64) = ( 0.4388889 0.1222222 -0.0000000), wk = 0.0030488 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0030488 k( 66) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0030488 k( 67) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0030488 k( 68) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030488 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0030488 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0030488 k( 71) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0030488 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0030488 k( 73) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0030488 k( 74) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0030488 k( 75) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0030488 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0030488 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0030488 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0030488 k( 79) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0030488 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0030488 k( 82) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0030488 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030488 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030488 k( 85) = ( 0.3276836 0.3276836 -0.0000000), wk = 0.0030488 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0030488 k( 87) = ( 0.3163842 0.3163842 -0.0000000), wk = 0.0030488 k( 88) = ( 0.3107345 0.3107345 0.0000000), wk = 0.0030488 k( 89) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0030488 k( 90) = ( 0.2994350 0.2994350 0.0000000), wk = 0.0030488 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0030488 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0030488 k( 93) = ( 0.2824859 0.2824859 -0.0000000), wk = 0.0030488 k( 94) = ( 0.2768362 0.2768362 0.0000000), wk = 0.0030488 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0030488 k( 96) = ( 0.2655367 0.2655367 -0.0000000), wk = 0.0030488 k( 97) = ( 0.2598870 0.2598870 0.0000000), wk = 0.0030488 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0030488 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0030488 k( 100) = ( 0.2429379 0.2429378 0.0000000), wk = 0.0030488 k( 101) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0030488 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0030488 k( 103) = ( 0.2259887 0.2259887 0.0000000), wk = 0.0030488 k( 104) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0030488 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0030488 k( 106) = ( 0.2090395 0.2090395 0.0000000), wk = 0.0030488 k( 107) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0030488 k( 108) = ( 0.1977401 0.1977401 0.0000000), wk = 0.0030488 k( 109) = ( 0.1920904 0.1920904 0.0000000), wk = 0.0030488 k( 110) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0030488 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0030488 k( 112) = ( 0.1751412 0.1751412 0.0000000), wk = 0.0030488 k( 113) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0030488 k( 114) = ( 0.1638418 0.1638418 -0.0000000), wk = 0.0030488 k( 115) = ( 0.1581921 0.1581921 -0.0000000), wk = 0.0030488 k( 116) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0030488 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0030488 k( 118) = ( 0.1412429 0.1412429 -0.0000000), wk = 0.0030488 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0030488 k( 120) = ( 0.1299435 0.1299435 0.0000000), wk = 0.0030488 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0030488 k( 122) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0030488 k( 123) = ( 0.1129943 0.1129943 0.0000000), wk = 0.0030488 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0030488 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0030488 k( 126) = ( 0.0960452 0.0960452 0.0000000), wk = 0.0030488 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0030488 k( 128) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0030488 k( 129) = ( 0.0790961 0.0790960 0.0000000), wk = 0.0030488 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0030488 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0030488 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0030488 k( 133) = ( 0.0564972 0.0564972 -0.0000000), wk = 0.0030488 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0030488 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0030488 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0030488 k( 137) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0030488 k( 138) = ( 0.0282486 0.0282486 -0.0000000), wk = 0.0030488 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0030488 k( 140) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0030488 k( 141) = ( 0.0112994 0.0112994 -0.0000000), wk = 0.0030488 k( 142) = ( 0.0056497 0.0056497 -0.0000000), wk = 0.0030488 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 145) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0030488 k( 146) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0030488 k( 147) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0030488 k( 148) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0030488 k( 151) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0030488 k( 152) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0030488 k( 153) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0030488 k( 154) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0030488 k( 155) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0030488 k( 156) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0030488 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 159) = ( 0.0098039 -0.0000000 0.5000000), wk = 0.0030488 k( 160) = ( 0.0196078 -0.0000000 0.5000000), wk = 0.0030488 k( 161) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0030488 k( 162) = ( 0.0392157 -0.0000000 0.5000000), wk = 0.0030488 k( 163) = ( 0.0490196 -0.0000000 0.5000000), wk = 0.0030488 k( 164) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0030488 k( 165) = ( 0.0686275 -0.0000000 0.5000000), wk = 0.0030488 k( 166) = ( 0.0784314 -0.0000000 0.5000000), wk = 0.0030488 k( 167) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0030488 k( 168) = ( 0.0980392 -0.0000000 0.5000000), wk = 0.0030488 k( 169) = ( 0.1078431 -0.0000000 0.5000000), wk = 0.0030488 k( 170) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0030488 k( 171) = ( 0.1274510 -0.0000000 0.5000000), wk = 0.0030488 k( 172) = ( 0.1372549 -0.0000000 0.5000000), wk = 0.0030488 k( 173) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0030488 k( 174) = ( 0.1568627 -0.0000000 0.5000000), wk = 0.0030488 k( 175) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0030488 k( 176) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0030488 k( 177) = ( 0.1862745 -0.0000000 0.5000000), wk = 0.0030488 k( 178) = ( 0.1960784 -0.0000000 0.5000000), wk = 0.0030488 k( 179) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0030488 k( 180) = ( 0.2156863 -0.0000000 0.5000000), wk = 0.0030488 k( 181) = ( 0.2254902 -0.0000000 0.5000000), wk = 0.0030488 k( 182) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0030488 k( 183) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0030488 k( 184) = ( 0.2549020 -0.0000000 0.5000000), wk = 0.0030488 k( 185) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0030488 k( 186) = ( 0.2745098 -0.0000000 0.5000000), wk = 0.0030488 k( 187) = ( 0.2843137 -0.0000000 0.5000000), wk = 0.0030488 k( 188) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0030488 k( 189) = ( 0.3039216 -0.0000000 0.5000000), wk = 0.0030488 k( 190) = ( 0.3137255 -0.0000000 0.5000000), wk = 0.0030488 k( 191) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0030488 k( 192) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0030488 k( 193) = ( 0.3431373 -0.0000000 0.5000000), wk = 0.0030488 k( 194) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0030488 k( 195) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0030488 k( 196) = ( 0.3725490 -0.0000000 0.5000000), wk = 0.0030488 k( 197) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0030488 k( 198) = ( 0.3921569 -0.0000000 0.5000000), wk = 0.0030488 k( 199) = ( 0.4019608 -0.0000000 0.5000000), wk = 0.0030488 k( 200) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0030488 k( 201) = ( 0.4215686 -0.0000000 0.5000000), wk = 0.0030488 k( 202) = ( 0.4313726 -0.0000000 0.5000000), wk = 0.0030488 k( 203) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0030488 k( 204) = ( 0.4509804 -0.0000000 0.5000000), wk = 0.0030488 k( 205) = ( 0.4607843 -0.0000000 0.5000000), wk = 0.0030488 k( 206) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0030488 k( 207) = ( 0.4803922 -0.0000000 0.5000000), wk = 0.0030488 k( 208) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0030488 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 211) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0030488 k( 212) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0030488 k( 213) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0030488 k( 214) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0030488 k( 215) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0030488 k( 216) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0030488 k( 217) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0030488 k( 218) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0030488 k( 219) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0030488 k( 220) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030488 k( 221) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0030488 k( 222) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0030488 k( 223) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0030488 k( 224) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0030488 k( 225) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030488 k( 226) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0030488 k( 227) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0030488 k( 228) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0030488 k( 229) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0030488 k( 230) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030488 k( 231) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0030488 k( 232) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0030488 k( 233) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0030488 k( 234) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0030488 k( 235) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0030488 k( 236) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0030488 k( 237) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0030488 k( 238) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0030488 k( 239) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0030488 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 k( 242) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0030488 k( 243) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0030488 k( 244) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0030488 k( 245) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0030488 k( 246) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0030488 k( 247) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0030488 k( 248) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0030488 k( 249) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0030488 k( 250) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0030488 k( 251) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0030488 k( 252) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0030488 k( 253) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0030488 k( 254) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0030488 k( 255) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0030488 k( 256) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0030488 k( 257) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0030488 k( 258) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0030488 k( 259) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0030488 k( 260) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0030488 k( 261) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0030488 k( 262) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0030488 k( 263) = ( 0.2090395 0.2090395 0.5000000), wk = 0.0030488 k( 264) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0030488 k( 265) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0030488 k( 266) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0030488 k( 267) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0030488 k( 268) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0030488 k( 269) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0030488 k( 270) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0030488 k( 271) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0030488 k( 272) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0030488 k( 273) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0030488 k( 274) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0030488 k( 275) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0030488 k( 276) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0030488 k( 277) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0030488 k( 278) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0030488 k( 279) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0030488 k( 280) = ( 0.1129943 0.1129943 0.5000000), wk = 0.0030488 k( 281) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0030488 k( 282) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0030488 k( 283) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0030488 k( 284) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0030488 k( 285) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0030488 k( 286) = ( 0.0790961 0.0790960 0.5000000), wk = 0.0030488 k( 287) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0030488 k( 288) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0030488 k( 289) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0030488 k( 290) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0030488 k( 291) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0030488 k( 292) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0030488 k( 293) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0030488 k( 294) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0030488 k( 295) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0030488 k( 296) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0030488 k( 297) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0030488 k( 298) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0030488 k( 299) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0030488 k( 300) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 302) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0030488 k( 303) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0030488 k( 304) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0030488 k( 305) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0030488 k( 306) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0030488 k( 307) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0030488 k( 308) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0030488 k( 309) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0030488 k( 310) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0030488 k( 311) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0030488 k( 312) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0030488 k( 313) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0030488 k( 314) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 315) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030488 k( 316) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0030488 k( 317) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0030488 k( 318) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0030488 k( 319) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0030488 k( 320) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0030488 k( 321) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0030488 k( 322) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0030488 k( 323) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0030488 k( 324) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0030488 k( 325) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0030488 k( 326) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0030488 k( 327) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0030488 k( 328) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030488 Dense grid: 94969 G-vectors FFT dimensions: ( 40, 40, 144) Smooth grid: 46765 G-vectors FFT dimensions: ( 32, 32, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 340, 58) NL pseudopotentials 0.49 Mb ( 170, 188) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2637) G-vector shells 0.01 Mb ( 1333) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 340, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.33 Mb ( 188, 2, 58) The potential is recalculated from file : ./Zr2SN2.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.4 secs Computing kpt #: 15 total cpu time spent up to now is 14.4 secs Computing kpt #: 16 total cpu time spent up to now is 15.2 secs Computing kpt #: 17 total cpu time spent up to now is 16.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 19.5 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.5 secs Computing kpt #: 21 total cpu time spent up to now is 23.4 secs Computing kpt #: 22 total cpu time spent up to now is 24.7 secs Computing kpt #: 23 total cpu time spent up to now is 25.8 secs Computing kpt #: 24 total cpu time spent up to now is 26.8 secs Computing kpt #: 25 total cpu time spent up to now is 27.6 secs Computing kpt #: 26 total cpu time spent up to now is 28.4 secs Computing kpt #: 27 total cpu time spent up to now is 29.2 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 total cpu time spent up to now is 30.8 secs Computing kpt #: 30 total cpu time spent up to now is 31.5 secs Computing kpt #: 31 total cpu time spent up to now is 32.3 secs Computing kpt #: 32 total cpu time spent up to now is 33.1 secs Computing kpt #: 33 total cpu time spent up to now is 33.9 secs Computing kpt #: 34 total cpu time spent up to now is 34.6 secs Computing kpt #: 35 total cpu time spent up to now is 35.4 secs Computing kpt #: 36 total cpu time spent up to now is 36.2 secs Computing kpt #: 37 total cpu time spent up to now is 37.1 secs Computing kpt #: 38 total cpu time spent up to now is 38.0 secs Computing kpt #: 39 total cpu time spent up to now is 38.9 secs Computing kpt #: 40 total cpu time spent up to now is 39.8 secs Computing kpt #: 41 total cpu time spent up to now is 40.6 secs Computing kpt #: 42 total cpu time spent up to now is 41.5 secs Computing kpt #: 43 total cpu time spent up to now is 42.3 secs Computing kpt #: 44 total cpu time spent up to now is 43.1 secs Computing kpt #: 45 total cpu time spent up to now is 43.9 secs Computing kpt #: 46 total cpu time spent up to now is 44.7 secs Computing kpt #: 47 total cpu time spent up to now is 45.5 secs Computing kpt #: 48 total cpu time spent up to now is 46.3 secs Computing kpt #: 49 total cpu time spent up to now is 47.1 secs Computing kpt #: 50 total cpu time spent up to now is 48.0 secs Computing kpt #: 51 total cpu time spent up to now is 48.8 secs Computing kpt #: 52 total cpu time spent up to now is 49.6 secs Computing kpt #: 53 total cpu time spent up to now is 50.4 secs Computing kpt #: 54 total cpu time spent up to now is 51.2 secs Computing kpt #: 55 total cpu time spent up to now is 52.1 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.1 secs Computing kpt #: 57 total cpu time spent up to now is 55.5 secs Computing kpt #: 58 total cpu time spent up to now is 56.8 secs Computing kpt #: 59 total cpu time spent up to now is 57.9 secs Computing kpt #: 60 total cpu time spent up to now is 59.1 secs Computing kpt #: 61 total cpu time spent up to now is 60.4 secs Computing kpt #: 62 total cpu time spent up to now is 61.6 secs Computing kpt #: 63 total cpu time spent up to now is 62.8 secs Computing kpt #: 64 total cpu time spent up to now is 64.0 secs Computing kpt #: 65 total cpu time spent up to now is 65.8 secs Computing kpt #: 66 total cpu time spent up to now is 67.1 secs Computing kpt #: 67 total cpu time spent up to now is 68.1 secs Computing kpt #: 68 total cpu time spent up to now is 68.9 secs Computing kpt #: 69 total cpu time spent up to now is 69.7 secs Computing kpt #: 70 total cpu time spent up to now is 70.5 secs Computing kpt #: 71 total cpu time spent up to now is 71.2 secs Computing kpt #: 72 total cpu time spent up to now is 72.0 secs Computing kpt #: 73 total cpu time spent up to now is 72.7 secs Computing kpt #: 74 total cpu time spent up to now is 73.5 secs Computing kpt #: 75 total cpu time spent up to now is 74.2 secs Computing kpt #: 76 total cpu time spent up to now is 75.0 secs Computing kpt #: 77 total cpu time spent up to now is 75.7 secs Computing kpt #: 78 total cpu time spent up to now is 76.5 secs Computing kpt #: 79 total cpu time spent up to now is 77.2 secs Computing kpt #: 80 total cpu time spent up to now is 78.0 secs Computing kpt #: 81 total cpu time spent up to now is 78.7 secs Computing kpt #: 82 total cpu time spent up to now is 79.5 secs Computing kpt #: 83 total cpu time spent up to now is 80.2 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.7 secs Computing kpt #: 86 total cpu time spent up to now is 82.4 secs Computing kpt #: 87 total cpu time spent up to now is 83.2 secs Computing kpt #: 88 total cpu time spent up to now is 83.9 secs Computing kpt #: 89 total cpu time spent up to now is 84.7 secs Computing kpt #: 90 total cpu time spent up to now is 85.4 secs Computing kpt #: 91 total cpu time spent up to now is 86.2 secs Computing kpt #: 92 total cpu time spent up to now is 86.9 secs Computing kpt #: 93 total cpu time spent up to now is 87.7 secs Computing kpt #: 94 total cpu time spent up to now is 88.4 secs Computing kpt #: 95 total cpu time spent up to now is 89.2 secs Computing kpt #: 96 total cpu time spent up to now is 89.9 secs Computing kpt #: 97 total cpu time spent up to now is 90.7 secs Computing kpt #: 98 total cpu time spent up to now is 91.6 secs Computing kpt #: 99 total cpu time spent up to now is 92.5 secs Computing kpt #: 100 total cpu time spent up to now is 93.6 secs Computing kpt #: 101 total cpu time spent up to now is 94.6 secs Computing kpt #: 102 total cpu time spent up to now is 96.1 secs Computing kpt #: 103 total cpu time spent up to now is 97.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 105 total cpu time spent up to now is 100.6 secs Computing kpt #: 106 total cpu time spent up to now is 101.7 secs Computing kpt #: 107 total cpu time spent up to now is 102.8 secs Computing kpt #: 108 total cpu time spent up to now is 104.4 secs Computing kpt #: 109 total cpu time spent up to now is 106.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.3 secs Computing kpt #: 112 total cpu time spent up to now is 111.8 secs Computing kpt #: 113 total cpu time spent up to now is 113.1 secs Computing kpt #: 114 total cpu time spent up to now is 114.4 secs Computing kpt #: 115 total cpu time spent up to now is 115.6 secs Computing kpt #: 116 total cpu time spent up to now is 117.0 secs Computing kpt #: 117 total cpu time spent up to now is 118.4 secs Computing kpt #: 118 total cpu time spent up to now is 120.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.1 secs Computing kpt #: 120 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 124.3 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 128.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.4 secs Computing kpt #: 124 total cpu time spent up to now is 131.9 secs Computing kpt #: 125 total cpu time spent up to now is 133.3 secs Computing kpt #: 126 total cpu time spent up to now is 134.7 secs Computing kpt #: 127 total cpu time spent up to now is 135.9 secs Computing kpt #: 128 total cpu time spent up to now is 136.8 secs Computing kpt #: 129 total cpu time spent up to now is 137.8 secs Computing kpt #: 130 total cpu time spent up to now is 138.6 secs Computing kpt #: 131 total cpu time spent up to now is 139.4 secs Computing kpt #: 132 total cpu time spent up to now is 140.2 secs Computing kpt #: 133 total cpu time spent up to now is 140.9 secs Computing kpt #: 134 total cpu time spent up to now is 141.7 secs Computing kpt #: 135 total cpu time spent up to now is 142.5 secs Computing kpt #: 136 total cpu time spent up to now is 143.3 secs Computing kpt #: 137 total cpu time spent up to now is 144.1 secs Computing kpt #: 138 total cpu time spent up to now is 144.8 secs Computing kpt #: 139 total cpu time spent up to now is 145.6 secs Computing kpt #: 140 total cpu time spent up to now is 146.4 secs Computing kpt #: 141 total cpu time spent up to now is 147.1 secs Computing kpt #: 142 total cpu time spent up to now is 147.9 secs Computing kpt #: 143 total cpu time spent up to now is 148.6 secs Computing kpt #: 144 total cpu time spent up to now is 149.4 secs Computing kpt #: 145 total cpu time spent up to now is 150.1 secs Computing kpt #: 146 total cpu time spent up to now is 150.9 secs Computing kpt #: 147 total cpu time spent up to now is 151.7 secs Computing kpt #: 148 total cpu time spent up to now is 152.4 secs Computing kpt #: 149 total cpu time spent up to now is 153.2 secs Computing kpt #: 150 total cpu time spent up to now is 153.9 secs Computing kpt #: 151 total cpu time spent up to now is 154.7 secs Computing kpt #: 152 total cpu time spent up to now is 155.5 secs Computing kpt #: 153 total cpu time spent up to now is 156.2 secs Computing kpt #: 154 total cpu time spent up to now is 157.0 secs Computing kpt #: 155 total cpu time spent up to now is 157.8 secs Computing kpt #: 156 total cpu time spent up to now is 158.6 secs Computing kpt #: 157 total cpu time spent up to now is 159.4 secs Computing kpt #: 158 total cpu time spent up to now is 160.2 secs Computing kpt #: 159 total cpu time spent up to now is 160.9 secs Computing kpt #: 160 total cpu time spent up to now is 161.7 secs Computing kpt #: 161 total cpu time spent up to now is 162.5 secs Computing kpt #: 162 total cpu time spent up to now is 163.3 secs Computing kpt #: 163 total cpu time spent up to now is 164.2 secs Computing kpt #: 164 total cpu time spent up to now is 165.0 secs Computing kpt #: 165 total cpu time spent up to now is 165.8 secs Computing kpt #: 166 total cpu time spent up to now is 166.6 secs Computing kpt #: 167 total cpu time spent up to now is 167.4 secs Computing kpt #: 168 total cpu time spent up to now is 168.2 secs Computing kpt #: 169 total cpu time spent up to now is 169.0 secs Computing kpt #: 170 total cpu time spent up to now is 169.9 secs Computing kpt #: 171 total cpu time spent up to now is 170.7 secs Computing kpt #: 172 total cpu time spent up to now is 171.5 secs Computing kpt #: 173 total cpu time spent up to now is 172.3 secs Computing kpt #: 174 total cpu time spent up to now is 173.1 secs Computing kpt #: 175 total cpu time spent up to now is 174.2 secs Computing kpt #: 176 total cpu time spent up to now is 175.0 secs Computing kpt #: 177 total cpu time spent up to now is 176.0 secs Computing kpt #: 178 total cpu time spent up to now is 177.1 secs Computing kpt #: 179 total cpu time spent up to now is 178.1 secs Computing kpt #: 180 total cpu time spent up to now is 179.2 secs Computing kpt #: 181 total cpu time spent up to now is 180.2 secs Computing kpt #: 182 total cpu time spent up to now is 181.1 secs Computing kpt #: 183 total cpu time spent up to now is 182.0 secs Computing kpt #: 184 total cpu time spent up to now is 182.9 secs Computing kpt #: 185 total cpu time spent up to now is 183.9 secs Computing kpt #: 186 total cpu time spent up to now is 184.9 secs Computing kpt #: 187 total cpu time spent up to now is 186.0 secs Computing kpt #: 188 total cpu time spent up to now is 187.1 secs Computing kpt #: 189 total cpu time spent up to now is 188.5 secs Computing kpt #: 190 total cpu time spent up to now is 189.8 secs Computing kpt #: 191 total cpu time spent up to now is 191.2 secs Computing kpt #: 192 total cpu time spent up to now is 192.6 secs Computing kpt #: 193 total cpu time spent up to now is 194.2 secs Computing kpt #: 194 total cpu time spent up to now is 195.8 secs Computing kpt #: 195 total cpu time spent up to now is 197.6 secs Computing kpt #: 196 total cpu time spent up to now is 199.1 secs Computing kpt #: 197 total cpu time spent up to now is 200.4 secs Computing kpt #: 198 total cpu time spent up to now is 201.5 secs Computing kpt #: 199 total cpu time spent up to now is 202.5 secs Computing kpt #: 200 total cpu time spent up to now is 203.4 secs Computing kpt #: 201 total cpu time spent up to now is 204.3 secs Computing kpt #: 202 total cpu time spent up to now is 205.1 secs Computing kpt #: 203 total cpu time spent up to now is 206.0 secs Computing kpt #: 204 total cpu time spent up to now is 206.8 secs Computing kpt #: 205 total cpu time spent up to now is 207.6 secs Computing kpt #: 206 total cpu time spent up to now is 208.4 secs Computing kpt #: 207 total cpu time spent up to now is 209.2 secs Computing kpt #: 208 total cpu time spent up to now is 210.1 secs Computing kpt #: 209 total cpu time spent up to now is 210.9 secs Computing kpt #: 210 total cpu time spent up to now is 211.7 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.6 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.5 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.4 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.4 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.3 secs Computing kpt #: 216 total cpu time spent up to now is 222.8 secs Computing kpt #: 217 total cpu time spent up to now is 224.3 secs Computing kpt #: 218 total cpu time spent up to now is 225.6 secs Computing kpt #: 219 total cpu time spent up to now is 227.1 secs Computing kpt #: 220 total cpu time spent up to now is 228.9 secs Computing kpt #: 221 total cpu time spent up to now is 230.4 secs Computing kpt #: 222 total cpu time spent up to now is 232.2 secs Computing kpt #: 223 total cpu time spent up to now is 233.9 secs Computing kpt #: 224 total cpu time spent up to now is 235.7 secs Computing kpt #: 225 total cpu time spent up to now is 237.3 secs Computing kpt #: 226 total cpu time spent up to now is 238.8 secs Computing kpt #: 227 total cpu time spent up to now is 240.3 secs Computing kpt #: 228 total cpu time spent up to now is 241.6 secs Computing kpt #: 229 total cpu time spent up to now is 243.1 secs Computing kpt #: 230 total cpu time spent up to now is 244.1 secs Computing kpt #: 231 total cpu time spent up to now is 245.2 secs Computing kpt #: 232 total cpu time spent up to now is 246.4 secs Computing kpt #: 233 total cpu time spent up to now is 247.4 secs Computing kpt #: 234 total cpu time spent up to now is 248.2 secs Computing kpt #: 235 total cpu time spent up to now is 249.3 secs Computing kpt #: 236 total cpu time spent up to now is 250.5 secs Computing kpt #: 237 total cpu time spent up to now is 251.6 secs Computing kpt #: 238 total cpu time spent up to now is 252.8 secs Computing kpt #: 239 total cpu time spent up to now is 253.9 secs Computing kpt #: 240 total cpu time spent up to now is 254.8 secs Computing kpt #: 241 total cpu time spent up to now is 255.6 secs Computing kpt #: 242 total cpu time spent up to now is 256.6 secs Computing kpt #: 243 total cpu time spent up to now is 257.7 secs Computing kpt #: 244 total cpu time spent up to now is 258.6 secs Computing kpt #: 245 total cpu time spent up to now is 259.6 secs Computing kpt #: 246 total cpu time spent up to now is 260.7 secs Computing kpt #: 247 total cpu time spent up to now is 261.8 secs Computing kpt #: 248 total cpu time spent up to now is 263.0 secs Computing kpt #: 249 total cpu time spent up to now is 264.2 secs Computing kpt #: 250 total cpu time spent up to now is 265.0 secs Computing kpt #: 251 total cpu time spent up to now is 266.2 secs Computing kpt #: 252 total cpu time spent up to now is 267.4 secs Computing kpt #: 253 total cpu time spent up to now is 268.4 secs Computing kpt #: 254 total cpu time spent up to now is 269.2 secs Computing kpt #: 255 total cpu time spent up to now is 270.7 secs Computing kpt #: 256 total cpu time spent up to now is 271.9 secs Computing kpt #: 257 total cpu time spent up to now is 273.0 secs Computing kpt #: 258 total cpu time spent up to now is 274.3 secs Computing kpt #: 259 total cpu time spent up to now is 275.6 secs Computing kpt #: 260 total cpu time spent up to now is 276.7 secs Computing kpt #: 261 total cpu time spent up to now is 277.8 secs Computing kpt #: 262 total cpu time spent up to now is 279.3 secs Computing kpt #: 263 total cpu time spent up to now is 280.4 secs Computing kpt #: 264 total cpu time spent up to now is 281.5 secs Computing kpt #: 265 total cpu time spent up to now is 283.3 secs Computing kpt #: 266 total cpu time spent up to now is 285.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.0 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.9 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.7 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.6 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.6 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.4 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.3 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.3 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.3 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.1 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.1 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.1 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.0 secs Computing kpt #: 283 total cpu time spent up to now is 317.4 secs Computing kpt #: 284 total cpu time spent up to now is 318.4 secs Computing kpt #: 285 total cpu time spent up to now is 319.5 secs Computing kpt #: 286 total cpu time spent up to now is 320.4 secs Computing kpt #: 287 total cpu time spent up to now is 321.2 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.3 secs Computing kpt #: 289 total cpu time spent up to now is 324.1 secs Computing kpt #: 290 total cpu time spent up to now is 324.9 secs Computing kpt #: 291 total cpu time spent up to now is 325.8 secs Computing kpt #: 292 total cpu time spent up to now is 326.6 secs Computing kpt #: 293 total cpu time spent up to now is 327.5 secs Computing kpt #: 294 total cpu time spent up to now is 328.3 secs Computing kpt #: 295 total cpu time spent up to now is 329.1 secs Computing kpt #: 296 total cpu time spent up to now is 330.0 secs Computing kpt #: 297 total cpu time spent up to now is 330.8 secs Computing kpt #: 298 total cpu time spent up to now is 331.7 secs Computing kpt #: 299 total cpu time spent up to now is 332.4 secs Computing kpt #: 300 total cpu time spent up to now is 333.2 secs Computing kpt #: 301 total cpu time spent up to now is 334.0 secs Computing kpt #: 302 total cpu time spent up to now is 335.6 secs Computing kpt #: 303 total cpu time spent up to now is 336.9 secs Computing kpt #: 304 total cpu time spent up to now is 338.0 secs Computing kpt #: 305 total cpu time spent up to now is 339.1 secs Computing kpt #: 306 total cpu time spent up to now is 340.1 secs Computing kpt #: 307 total cpu time spent up to now is 341.2 secs Computing kpt #: 308 total cpu time spent up to now is 342.4 secs Computing kpt #: 309 total cpu time spent up to now is 343.7 secs Computing kpt #: 310 total cpu time spent up to now is 345.0 secs Computing kpt #: 311 total cpu time spent up to now is 346.5 secs Computing kpt #: 312 total cpu time spent up to now is 347.9 secs Computing kpt #: 313 total cpu time spent up to now is 349.2 secs Computing kpt #: 314 total cpu time spent up to now is 350.0 secs Computing kpt #: 315 total cpu time spent up to now is 350.7 secs Computing kpt #: 316 total cpu time spent up to now is 351.5 secs Computing kpt #: 317 total cpu time spent up to now is 352.2 secs Computing kpt #: 318 total cpu time spent up to now is 353.0 secs Computing kpt #: 319 total cpu time spent up to now is 353.7 secs Computing kpt #: 320 total cpu time spent up to now is 354.5 secs Computing kpt #: 321 total cpu time spent up to now is 355.2 secs Computing kpt #: 322 total cpu time spent up to now is 356.0 secs Computing kpt #: 323 total cpu time spent up to now is 356.8 secs Computing kpt #: 324 total cpu time spent up to now is 357.5 secs Computing kpt #: 325 total cpu time spent up to now is 358.3 secs Computing kpt #: 326 total cpu time spent up to now is 359.2 secs Computing kpt #: 327 total cpu time spent up to now is 360.2 secs Computing kpt #: 328 total cpu time spent up to now is 361.2 secs ethr = 2.08E-08, avg # of iterations = 50.3 total cpu time spent up to now is 361.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5857 PWs) bands (ev): -5.8504 -5.8504 -5.4659 -5.4659 -5.2664 -5.2664 -4.8303 -4.8303 -3.3305 -3.3305 -3.3043 -3.3043 4.1915 4.1915 4.2004 4.2004 4.3604 4.3604 4.4174 4.4174 4.4252 4.4252 4.4867 4.4867 4.5005 4.5005 4.6896 4.6896 4.7055 4.7055 4.9986 4.9986 5.0409 5.0409 6.8039 6.8039 7.8587 7.8587 8.0243 8.0243 8.0942 8.0942 8.2691 8.2691 8.3464 8.3464 9.1423 9.1423 10.7499 10.7499 10.7847 10.7847 10.7936 10.7936 11.0949 11.0949 11.1333 11.1333 k = 0.0098 0.0057-0.0000 ( 5845 PWs) bands (ev): -5.8494 -5.8494 -5.4651 -5.4651 -5.2654 -5.2654 -4.8297 -4.8297 -3.3306 -3.3306 -3.3043 -3.3043 4.1922 4.1922 4.2012 4.2012 4.3584 4.3584 4.4116 4.4116 4.4237 4.4237 4.4869 4.4869 4.5010 4.5010 4.6902 4.6902 4.7062 4.7062 4.9988 4.9988 5.0499 5.0499 6.8068 6.8068 7.8510 7.8510 8.0203 8.0203 8.0901 8.0901 8.2686 8.2686 8.3454 8.3454 9.1398 9.1398 10.7537 10.7537 10.7870 10.7870 10.7975 10.7975 11.0948 11.0948 11.1331 11.1331 k = 0.0196 0.0113-0.0000 ( 5853 PWs) bands (ev): -5.8463 -5.8463 -5.4627 -5.4627 -5.2627 -5.2627 -4.8280 -4.8280 -3.3309 -3.3309 -3.3043 -3.3043 4.1942 4.1942 4.2038 4.2038 4.3525 4.3525 4.3892 4.3892 4.4259 4.4259 4.4863 4.4863 4.5035 4.5035 4.6913 4.6913 4.7090 4.7090 4.9996 4.9996 5.0753 5.0753 6.8155 6.8155 7.8278 7.8278 8.0085 8.0085 8.0785 8.0785 8.2666 8.2666 8.3420 8.3420 9.1322 9.1322 10.7640 10.7640 10.7933 10.7933 10.8107 10.8107 11.0939 11.0939 11.1328 11.1328 k = 0.0294 0.0170-0.0000 ( 5851 PWs) bands (ev): -5.8411 -5.8411 -5.4587 -5.4587 -5.2580 -5.2580 -4.8251 -4.8251 -3.3316 -3.3316 -3.3042 -3.3042 4.1970 4.1970 4.2085 4.2085 4.3422 4.3422 4.3547 4.3547 4.4309 4.4309 4.4832 4.4832 4.5098 4.5098 4.6912 4.6912 4.7158 4.7158 5.0012 5.0012 5.1137 5.1137 6.8296 6.8296 7.7890 7.7890 7.9891 7.9891 8.0613 8.0613 8.2624 8.2624 8.3362 8.3362 9.1197 9.1197 10.7784 10.7784 10.8030 10.8030 10.8353 10.8353 11.0909 11.0909 11.1338 11.1338 k = 0.0392 0.0226-0.0000 ( 5851 PWs) bands (ev): -5.8339 -5.8339 -5.4532 -5.4532 -5.2516 -5.2516 -4.8211 -4.8211 -3.3324 -3.3324 -3.3042 -3.3042 4.2003 4.2003 4.2157 4.2157 4.3099 4.3099 4.3303 4.3303 4.4381 4.4381 4.4775 4.4775 4.5201 4.5201 4.6894 4.6894 4.7269 4.7269 5.0036 5.0036 5.1617 5.1617 6.8489 6.8489 7.7354 7.7354 7.9625 7.9625 8.0398 8.0398 8.2554 8.2554 8.3279 8.3279 9.1023 9.1023 10.7953 10.7953 10.8166 10.8166 10.8711 10.8711 11.0846 11.0846 11.1374 11.1374 k = 0.0490 0.0283-0.0000 ( 5851 PWs) bands (ev): -5.8247 -5.8247 -5.4461 -5.4461 -5.2434 -5.2434 -4.8159 -4.8159 -3.3335 -3.3335 -3.3042 -3.3042 4.2040 4.2040 4.2252 4.2252 4.2614 4.2614 4.3135 4.3135 4.4472 4.4472 4.4701 4.4701 4.5339 4.5339 4.6866 4.6866 4.7419 4.7419 5.0066 5.0066 5.2162 5.2162 6.8729 6.8729 7.6683 7.6683 7.9289 7.9289 8.0148 8.0148 8.2453 8.2453 8.3171 8.3171 9.0804 9.0804 10.8137 10.8137 10.8349 10.8349 10.9168 10.9168 11.0749 11.0749 11.1440 11.1440 k = 0.0588 0.0340-0.0000 ( 5855 PWs) bands (ev): -5.8135 -5.8135 -5.4375 -5.4375 -5.2333 -5.2333 -4.8097 -4.8097 -3.3348 -3.3348 -3.3042 -3.3042 4.2064 4.2064 4.2113 4.2113 4.2365 4.2365 4.2945 4.2945 4.4550 4.4550 4.4645 4.4645 4.5510 4.5510 4.6832 4.6832 4.7605 4.7605 5.0103 5.0103 5.2750 5.2750 6.9009 6.9009 7.5895 7.5895 7.8881 7.8881 7.9866 7.9866 8.2323 8.2323 8.3041 8.3041 9.0543 9.0543 10.8334 10.8334 10.8580 10.8580 10.9699 10.9699 11.0628 11.0628 11.1533 11.1533 k = 0.0686 0.0396-0.0000 ( 5863 PWs) bands (ev): -5.8003 -5.8003 -5.4273 -5.4273 -5.2216 -5.2216 -4.8025 -4.8025 -3.3363 -3.3363 -3.3042 -3.3042 4.1560 4.1560 4.2123 4.2123 4.2470 4.2470 4.2764 4.2764 4.4479 4.4479 4.4745 4.4745 4.5712 4.5712 4.6795 4.6795 4.7826 4.7826 5.0146 5.0146 5.3366 5.3366 6.9324 6.9324 7.5012 7.5012 7.8399 7.8399 7.9553 7.9553 8.2165 8.2165 8.2894 8.2894 9.0241 9.0241 10.8545 10.8545 10.8855 10.8855 11.0226 11.0226 11.0551 11.0551 11.1649 11.1649 k = 0.0784 0.0453-0.0000 ( 5865 PWs) bands (ev): -5.7852 -5.7852 -5.4158 -5.4158 -5.2081 -5.2081 -4.7942 -4.7942 -3.3380 -3.3380 -3.3041 -3.3041 4.1021 4.1021 4.2142 4.2142 4.2417 4.2417 4.2765 4.2765 4.4365 4.4365 4.4900 4.4900 4.5945 4.5945 4.6758 4.6758 4.8080 4.8080 5.0195 5.0195 5.3997 5.3997 6.9666 6.9666 7.4049 7.4049 7.7844 7.7844 7.9214 7.9214 8.1980 8.1980 8.2736 8.2736 8.9904 8.9904 10.8773 10.8773 10.9164 10.9164 11.0237 11.0237 11.1017 11.1017 11.1792 11.1792 k = 0.0882 0.0509-0.0000 ( 5865 PWs) bands (ev): -5.7682 -5.7682 -5.4028 -5.4028 -5.1930 -5.1930 -4.7850 -4.7850 -3.3399 -3.3399 -3.3041 -3.3041 4.0484 4.0484 4.2030 4.2030 4.2338 4.2338 4.2928 4.2928 4.4243 4.4243 4.5078 4.5078 4.6207 4.6207 4.6723 4.6723 4.8366 4.8366 5.0250 5.0250 5.4634 5.4634 7.0028 7.0028 7.3025 7.3025 7.7216 7.7216 7.8849 7.8849 8.1768 8.1768 8.2573 8.2573 8.9535 8.9535 10.9013 10.9013 10.9501 10.9501 11.0068 11.0068 11.1648 11.1648 11.1998 11.1998 k = 0.0980 0.0566-0.0000 ( 5863 PWs) bands (ev): -5.7494 -5.7494 -5.3884 -5.3884 -5.1763 -5.1763 -4.7749 -4.7749 -3.3419 -3.3419 -3.3040 -3.3040 3.9956 3.9956 4.1777 4.1777 4.2366 4.2366 4.3134 4.3134 4.4118 4.4118 4.5277 4.5277 4.6497 4.6497 4.6692 4.6692 4.8684 4.8684 5.0310 5.0310 5.5270 5.5270 7.0400 7.0400 7.1952 7.1952 7.6523 7.6523 7.8463 7.8463 8.1532 8.1532 8.2408 8.2408 8.9138 8.9138 10.9248 10.9248 10.9841 10.9841 10.9918 10.9918 11.2021 11.2021 11.2519 11.2519 k = 0.1078 0.0623-0.0000 ( 5863 PWs) bands (ev): -5.7288 -5.7288 -5.3728 -5.3728 -5.1581 -5.1581 -4.7639 -4.7639 -3.3441 -3.3441 -3.3039 -3.3039 3.9442 3.9442 4.1484 4.1484 4.2415 4.2415 4.3364 4.3364 4.4000 4.4000 4.5497 4.5497 4.6651 4.6651 4.6828 4.6828 4.9034 4.9034 5.0374 5.0374 5.5901 5.5901 7.0703 7.0703 7.0916 7.0916 7.5769 7.5769 7.8057 7.8057 8.1272 8.1272 8.2242 8.2242 8.8718 8.8718 10.9380 10.9380 10.9826 10.9826 11.0250 11.0250 11.2232 11.2232 11.3242 11.3242 k = 0.1176 0.0679-0.0000 ( 5859 PWs) bands (ev): -5.7065 -5.7065 -5.3559 -5.3559 -5.1384 -5.1384 -4.7521 -4.7521 -3.3464 -3.3464 -3.3038 -3.3038 3.8943 3.8943 4.1177 4.1177 4.2459 4.2459 4.3612 4.3612 4.3902 4.3902 4.5736 4.5736 4.6628 4.6628 4.7174 4.7174 4.9413 4.9413 5.0444 5.0444 5.6521 5.6521 6.9679 6.9679 7.1176 7.1176 7.4965 7.4965 7.7635 7.7635 8.0991 8.0991 8.2077 8.2077 8.8281 8.8281 10.9268 10.9268 11.0012 11.0012 11.0643 11.0643 11.2443 11.2443 11.3996 11.3996 k = 0.1275 0.0736-0.0000 ( 5851 PWs) bands (ev): -5.6825 -5.6825 -5.3378 -5.3378 -5.1173 -5.1173 -4.7396 -4.7396 -3.3488 -3.3488 -3.3036 -3.3036 3.8464 3.8464 4.0866 4.0866 4.2481 4.2481 4.3783 4.3783 4.3930 4.3930 4.5993 4.5993 4.6606 4.6606 4.7550 4.7550 4.9822 4.9822 5.0517 5.0517 5.7126 5.7126 6.8518 6.8518 7.1543 7.1543 7.4117 7.4117 7.7199 7.7199 8.0692 8.0692 8.1911 8.1911 8.7831 8.7831 10.9058 10.9058 11.0301 11.0301 11.1047 11.1047 11.2669 11.2669 11.4759 11.4759 k = 0.1373 0.0792-0.0000 ( 5855 PWs) bands (ev): -5.6569 -5.6569 -5.3186 -5.3186 -5.0949 -5.0949 -4.7265 -4.7265 -3.3513 -3.3513 -3.3034 -3.3034 3.8006 3.8006 4.0557 4.0557 4.2467 4.2467 4.3772 4.3772 4.4205 4.4205 4.6263 4.6263 4.6594 4.6594 4.7953 4.7953 5.0259 5.0259 5.0596 5.0596 5.7712 5.7712 6.7342 6.7342 7.1894 7.1894 7.3238 7.3238 7.6752 7.6752 8.0377 8.0377 8.1745 8.1745 8.7373 8.7373 10.8824 10.8824 11.0622 11.0622 11.1457 11.1457 11.2914 11.2914 11.5521 11.5521 k = 0.1471 0.0849-0.0000 ( 5851 PWs) bands (ev): -5.6299 -5.6299 -5.2983 -5.2983 -5.0713 -5.0713 -4.7127 -4.7127 -3.3538 -3.3538 -3.3031 -3.3031 3.7571 3.7571 4.0254 4.0254 4.2408 4.2408 4.3797 4.3797 4.4517 4.4517 4.6487 4.6487 4.6649 4.6649 4.8382 4.8382 5.0675 5.0675 5.0726 5.0726 5.8275 5.8275 6.6159 6.6159 7.2147 7.2147 7.2408 7.2408 7.6296 7.6296 8.0050 8.0050 8.1578 8.1578 8.6915 8.6915 10.8581 10.8581 11.0959 11.0959 11.1869 11.1869 11.3180 11.3180 11.6276 11.6276 k = 0.1569 0.0906-0.0000 ( 5853 PWs) bands (ev): -5.6014 -5.6014 -5.2771 -5.2771 -5.0465 -5.0465 -4.6985 -4.6985 -3.3564 -3.3564 -3.3028 -3.3028 3.7161 3.7161 3.9961 3.9961 4.2303 4.2303 4.3873 4.3873 4.4848 4.4848 4.6523 4.6523 4.6913 4.6913 4.8837 4.8837 5.0763 5.0763 5.1216 5.1216 5.8814 5.8814 6.4976 6.4976 7.1370 7.1370 7.2559 7.2559 7.5834 7.5834 7.9711 7.9711 8.1409 8.1409 8.6461 8.6461 10.8337 10.8337 11.1306 11.1306 11.2278 11.2278 11.3466 11.3466 11.7019 11.7019 k = 0.1667 0.0962-0.0000 ( 5857 PWs) bands (ev): -5.5715 -5.5715 -5.2549 -5.2549 -5.0207 -5.0207 -4.6838 -4.6838 -3.3588 -3.3588 -3.3024 -3.3024 3.6777 3.6777 3.9683 3.9683 4.2161 4.2161 4.3995 4.3995 4.5196 4.5196 4.6521 4.6521 4.7237 4.7237 4.9315 4.9315 5.0852 5.0852 5.1734 5.1734 5.9323 5.9323 6.3799 6.3799 7.0434 7.0434 7.2823 7.2823 7.5368 7.5368 7.9365 7.9365 8.1237 8.1237 8.6017 8.6017 10.8093 10.8093 11.1660 11.1660 11.2681 11.2681 11.3771 11.3771 11.7747 11.7747 k = 0.1765 0.1019-0.0000 ( 5845 PWs) bands (ev): -5.5405 -5.5405 -5.2320 -5.2320 -4.9940 -4.9940 -4.6688 -4.6688 -3.3612 -3.3612 -3.3019 -3.3019 3.6420 3.6420 3.9422 3.9422 4.1991 4.1991 4.4151 4.4151 4.5557 4.5557 4.6522 4.6522 4.7582 4.7582 4.9816 4.9816 5.0944 5.0944 5.2276 5.2276 5.9800 5.9800 6.2633 6.2633 6.9488 6.9488 7.3052 7.3052 7.4902 7.4902 7.9013 7.9013 8.1063 8.1063 8.5590 8.5590 10.7853 10.7853 11.2020 11.2020 11.3075 11.3075 11.4094 11.4094 11.8449 11.8449 k = 0.1863 0.1075-0.0000 ( 5849 PWs) bands (ev): -5.5082 -5.5082 -5.2083 -5.2083 -4.9665 -4.9665 -4.6536 -4.6536 -3.3635 -3.3635 -3.3013 -3.3013 3.6091 3.6091 3.9181 3.9181 4.1799 4.1799 4.4335 4.4335 4.5921 4.5921 4.6536 4.6536 4.7943 4.7943 5.0339 5.0339 5.1039 5.1039 5.2843 5.2843 6.0242 6.0242 6.1484 6.1484 6.8544 6.8544 7.3236 7.3236 7.4437 7.4437 7.8657 7.8657 8.0887 8.0887 8.5184 8.5184 10.7618 10.7618 11.2384 11.2384 11.3458 11.3458 11.4433 11.4433 11.9082 11.9082 k = 0.1961 0.1132-0.0000 ( 5839 PWs) bands (ev): -5.4750 -5.4750 -5.1840 -5.1840 -4.9383 -4.9383 -4.6381 -4.6381 -3.3656 -3.3656 -3.3006 -3.3006 3.5790 3.5790 3.8964 3.8964 4.1589 4.1589 4.4540 4.4540 4.6244 4.6244 4.6609 4.6609 4.8318 4.8318 5.0881 5.0881 5.1138 5.1138 5.3432 5.3432 6.0346 6.0346 6.0654 6.0654 6.7609 6.7609 7.3366 7.3366 7.3981 7.3981 7.8298 7.8298 8.0708 8.0708 8.4803 8.4803 10.7390 10.7390 11.2750 11.2750 11.3825 11.3825 11.4783 11.4783 11.9402 11.9402 k = 0.2059 0.1189-0.0000 ( 5841 PWs) bands (ev): -5.4408 -5.4408 -5.1592 -5.1592 -4.9096 -4.9096 -4.6226 -4.6226 -3.3675 -3.3675 -3.2998 -3.2998 3.5518 3.5518 3.8771 3.8771 4.1364 4.1364 4.4762 4.4762 4.6396 4.6396 4.6870 4.6870 4.8706 4.8706 5.1230 5.1230 5.1453 5.1453 5.4043 5.4043 5.9250 5.9250 6.1010 6.1010 6.6689 6.6689 7.3370 7.3370 7.3606 7.3606 7.7939 7.7939 8.0527 8.0527 8.4452 8.4452 10.7172 10.7172 11.3117 11.3117 11.4176 11.4176 11.5143 11.5143 11.9425 11.9425 k = 0.2157 0.1245-0.0000 ( 5841 PWs) bands (ev): -5.4059 -5.4059 -5.1338 -5.1338 -4.8805 -4.8805 -4.6070 -4.6070 -3.3691 -3.3691 -3.2988 -3.2988 3.5276 3.5276 3.8605 3.8605 4.1122 4.1122 4.4994 4.4994 4.6435 4.6435 4.7259 4.7259 4.9105 4.9105 5.1335 5.1335 5.2032 5.2032 5.4674 5.4674 5.8180 5.8180 6.1326 6.1326 6.5793 6.5793 7.3007 7.3007 7.3559 7.3559 7.7582 7.7582 8.0344 8.0344 8.4130 8.4130 10.6965 10.6965 11.3483 11.3483 11.4507 11.4507 11.5508 11.5508 11.9391 11.9391 k = 0.2255 0.1302-0.0000 ( 5837 PWs) bands (ev): -5.3702 -5.3702 -5.1082 -5.1082 -4.8511 -4.8511 -4.5915 -4.5915 -3.3704 -3.3704 -3.2976 -3.2976 3.5062 3.5062 3.8467 3.8467 4.0864 4.0864 4.5234 4.5234 4.6453 4.6453 4.7685 4.7685 4.9514 4.9514 5.1440 5.1440 5.2631 5.2631 5.5324 5.5324 5.7147 5.7147 6.1593 6.1593 6.4927 6.4927 7.2565 7.2565 7.3553 7.3553 7.7226 7.7226 8.0159 8.0159 8.3838 8.3838 10.6770 10.6770 11.3847 11.3847 11.4817 11.4817 11.5874 11.5874 11.9339 11.9339 k = 0.2353 0.1358-0.0000 ( 5841 PWs) bands (ev): -5.3340 -5.3340 -5.0822 -5.0822 -4.8216 -4.8216 -4.5761 -4.5761 -3.3713 -3.3713 -3.2963 -3.2963 3.4879 3.4879 3.8359 3.8359 4.0587 4.0587 4.5474 4.5474 4.6467 4.6467 4.8127 4.8127 4.9930 4.9930 5.1548 5.1548 5.3245 5.3245 5.5987 5.5987 5.6160 5.6160 6.1808 6.1808 6.4098 6.4098 7.2123 7.2123 7.3519 7.3519 7.6875 7.6875 7.9974 7.9974 8.3573 8.3573 10.6588 10.6588 11.4207 11.4207 11.5105 11.5105 11.6238 11.6238 11.9276 11.9276 k = 0.2451 0.1415-0.0000 ( 5835 PWs) bands (ev): -5.2974 -5.2974 -5.0561 -5.0561 -4.7921 -4.7921 -4.5610 -4.5610 -3.3717 -3.3717 -3.2948 -3.2948 3.4724 3.4724 3.8282 3.8282 4.0290 4.0290 4.5710 4.5710 4.6482 4.6482 4.8580 4.8580 5.0353 5.0353 5.1659 5.1659 5.3872 5.3872 5.5213 5.5213 5.6676 5.6676 6.1964 6.1964 6.3313 6.3313 7.1687 7.1687 7.3459 7.3459 7.6530 7.6530 7.9788 7.9788 8.3331 8.3331 10.6422 10.6422 11.4562 11.4562 11.5370 11.5370 11.6597 11.6597 11.9207 11.9207 k = 0.2549 0.1472-0.0000 ( 5827 PWs) bands (ev): -5.2604 -5.2604 -5.0299 -5.0299 -4.7629 -4.7629 -4.5462 -4.5462 -3.3717 -3.3717 -3.2930 -3.2930 3.4599 3.4599 3.8236 3.8236 3.9970 3.9970 4.5931 4.5931 4.6500 4.6500 4.9042 4.9042 5.0780 5.0780 5.1777 5.1777 5.4313 5.4313 5.4525 5.4525 5.7373 5.7373 6.2059 6.2059 6.2583 6.2583 7.1260 7.1260 7.3381 7.3381 7.6192 7.6192 7.9603 7.9603 8.3107 8.3107 10.6271 10.6271 11.4910 11.4910 11.5609 11.5609 11.6946 11.6946 11.9133 11.9133 k = 0.2647 0.1528-0.0000 ( 5835 PWs) bands (ev): -5.2233 -5.2233 -5.0038 -5.0038 -4.7340 -4.7340 -4.5317 -4.5317 -3.3711 -3.3711 -3.2911 -3.2911 3.4503 3.4503 3.8220 3.8220 3.9625 3.9625 4.6129 4.6129 4.6521 4.6521 4.9510 4.9510 5.1207 5.1207 5.1899 5.1899 5.3505 5.3505 5.5165 5.5165 5.8082 5.8082 6.1887 6.1887 6.2112 6.2112 7.0843 7.0843 7.3295 7.3295 7.5861 7.5861 7.9420 7.9420 8.2896 8.2896 10.6137 10.6137 11.5248 11.5248 11.5823 11.5823 11.7283 11.7283 11.9055 11.9055 k = 0.2745 0.1585-0.0000 ( 5835 PWs) bands (ev): -5.1862 -5.1862 -4.9777 -4.9777 -4.7056 -4.7056 -4.5176 -4.5176 -3.3698 -3.3698 -3.2889 -3.2889 3.4435 3.4435 3.8234 3.8234 3.9256 3.9256 4.6290 4.6290 4.6547 4.6547 4.9981 4.9981 5.1620 5.1620 5.2009 5.2009 5.2794 5.2794 5.5823 5.5823 5.8801 5.8801 6.1283 6.1283 6.2071 6.2071 7.0437 7.0437 7.3210 7.3210 7.5540 7.5540 7.9238 7.9238 8.2691 8.2691 10.6021 10.6021 11.5575 11.5575 11.6013 11.6013 11.7603 11.7603 11.8976 11.8976 k = 0.2843 0.1641-0.0000 ( 5825 PWs) bands (ev): -5.1493 -5.1493 -4.9518 -4.9518 -4.6779 -4.6779 -4.5041 -4.5041 -3.3679 -3.3679 -3.2865 -3.2865 3.4394 3.4394 3.8272 3.8272 3.8866 3.8866 4.6402 4.6402 4.6576 4.6576 5.0455 5.0455 5.1772 5.1772 5.2109 5.2109 5.2450 5.2450 5.6486 5.6486 5.9527 5.9527 6.0739 6.0739 6.1974 6.1974 7.0042 7.0042 7.3135 7.3135 7.5229 7.5229 7.9059 7.9059 8.2486 8.2486 10.5924 10.5924 11.5884 11.5884 11.6179 11.6179 11.7903 11.7903 11.8897 11.8897 k = 0.2941 0.1698-0.0000 ( 5831 PWs) bands (ev): -5.1126 -5.1126 -4.9262 -4.9262 -4.6510 -4.6510 -4.4911 -4.4911 -3.3654 -3.3654 -3.2838 -3.2838 3.4380 3.4380 3.8269 3.8269 3.8520 3.8520 4.6456 4.6456 4.6601 4.6601 5.0927 5.0927 5.1294 5.1294 5.2409 5.2409 5.2643 5.2643 5.7153 5.7153 6.0207 6.0207 6.0314 6.0314 6.1814 6.1814 6.9661 6.9661 7.3077 7.3077 7.4929 7.4929 7.8884 7.8884 8.2278 8.2278 10.5846 10.5846 11.6162 11.6162 11.6335 11.6335 11.8173 11.8173 11.8825 11.8825 k = 0.3039 0.1755-0.0000 ( 5827 PWs) bands (ev): -5.0763 -5.0763 -4.9010 -4.9010 -4.6251 -4.6251 -4.4787 -4.4787 -3.3620 -3.3620 -3.2809 -3.2809 3.4392 3.4392 3.7924 3.7924 3.8519 3.8519 4.6437 4.6437 4.6622 4.6622 5.0798 5.0798 5.1402 5.1402 5.2659 5.2659 5.3021 5.3021 5.7821 5.7821 5.9852 5.9852 6.0986 6.0986 6.1603 6.1603 6.9294 6.9294 7.3041 7.3041 7.4641 7.4641 7.8714 7.8714 8.2061 8.2061 10.5788 10.5788 11.6353 11.6353 11.6529 11.6529 11.8389 11.8389 11.8779 11.8779 k = 0.3137 0.1811-0.0000 ( 5823 PWs) bands (ev): -5.0405 -5.0405 -4.8763 -4.8763 -4.6003 -4.6003 -4.4670 -4.4670 -3.3580 -3.3580 -3.2777 -3.2777 3.4429 3.4429 3.7457 3.7457 3.8644 3.8644 4.6319 4.6319 4.6651 4.6651 5.0390 5.0390 5.1868 5.1868 5.2921 5.2921 5.3432 5.3432 5.8486 5.8486 5.9517 5.9517 6.1264 6.1264 6.1778 6.1778 6.8940 6.8940 7.3028 7.3028 7.4367 7.4367 7.8550 7.8550 8.1833 8.1833 10.5750 10.5750 11.6455 11.6455 11.6762 11.6762 11.8483 11.8483 11.8823 11.8823 k = 0.3235 0.1868-0.0000 ( 5833 PWs) bands (ev): -5.0055 -5.0055 -4.8521 -4.8521 -4.5768 -4.5768 -4.4559 -4.4559 -3.3532 -3.3532 -3.2743 -3.2743 3.4490 3.4490 3.6961 3.6961 3.8804 3.8804 4.6101 4.6101 4.6690 4.6690 5.0079 5.0079 5.2328 5.2328 5.3212 5.3212 5.3845 5.3845 5.9141 5.9141 5.9254 5.9254 6.0946 6.0946 6.2493 6.2493 6.8601 6.8601 7.3041 7.3041 7.4106 7.4106 7.8393 7.8393 8.1593 8.1593 10.5732 10.5732 11.6515 11.6515 11.6980 11.6980 11.8454 11.8454 11.8951 11.8951 k = 0.3333 0.1925-0.0000 ( 5825 PWs) bands (ev): -4.9713 -4.9713 -4.8285 -4.8285 -4.5547 -4.5547 -4.4456 -4.4456 -3.3477 -3.3477 -3.2708 -3.2708 3.4572 3.4572 3.6448 3.6448 3.8991 3.8991 4.5796 4.5796 4.6737 4.6737 4.9858 4.9858 5.2780 5.2780 5.3533 5.3533 5.4252 5.4252 5.9040 5.9040 5.9799 5.9799 6.0564 6.0564 6.3220 6.3220 6.8277 6.8277 7.3078 7.3078 7.3860 7.3860 7.8243 7.8243 8.1338 8.1338 10.5734 10.5734 11.6545 11.6545 11.7162 11.7162 11.8385 11.8385 11.9068 11.9068 k = 0.3431 0.1981-0.0000 ( 5825 PWs) bands (ev): -4.9381 -4.9381 -4.8057 -4.8057 -4.5340 -4.5340 -4.4360 -4.4360 -3.3415 -3.3415 -3.2670 -3.2670 3.4674 3.4674 3.5924 3.5924 3.9200 3.9200 4.5426 4.5426 4.6790 4.6790 4.9713 4.9713 5.3221 5.3221 5.3878 5.3878 5.4650 5.4650 5.8892 5.8892 6.0132 6.0132 6.0447 6.0447 6.3941 6.3941 6.7969 6.7969 7.3138 7.3138 7.3629 7.3629 7.8102 7.8102 8.1068 8.1068 10.5756 10.5756 11.6549 11.6549 11.7294 11.7294 11.8305 11.8305 11.9132 11.9132 k = 0.3529 0.2038-0.0000 ( 5832 PWs) bands (ev): -4.9060 -4.9060 -4.7837 -4.7837 -4.5148 -4.5148 -4.4271 -4.4271 -3.3347 -3.3347 -3.2631 -3.2631 3.4795 3.4795 3.5396 3.5396 3.9427 3.9427 4.5012 4.5012 4.6851 4.6851 4.9627 4.9627 5.3649 5.3649 5.4239 5.4239 5.5035 5.5035 5.8795 5.8795 5.9676 5.9676 6.1069 6.1069 6.4650 6.4650 6.7678 6.7678 7.3218 7.3218 7.3415 7.3415 7.7971 7.7971 8.0785 8.0785 10.5796 10.5796 11.6528 11.6528 11.7357 11.7357 11.8220 11.8220 11.9118 11.9118 k = 0.3627 0.2094-0.0000 ( 5824 PWs) bands (ev): -4.8751 -4.8751 -4.7625 -4.7625 -4.4973 -4.4973 -4.4191 -4.4191 -3.3273 -3.3273 -3.2590 -3.2590 3.4864 3.4864 3.4939 3.4939 3.9669 3.9669 4.4575 4.4575 4.6921 4.6921 4.9584 4.9584 5.4064 5.4064 5.4607 5.4607 5.5405 5.5405 5.8742 5.8742 5.9193 5.9193 6.1675 6.1675 6.5344 6.5344 6.7403 6.7403 7.3217 7.3217 7.3318 7.3318 7.7849 7.7849 8.0488 8.0488 10.5854 10.5854 11.6483 11.6483 11.7328 11.7328 11.8129 11.8129 11.9007 11.9007 k = 0.3725 0.2151-0.0000 ( 5838 PWs) bands (ev): -4.8456 -4.8456 -4.7423 -4.7423 -4.4813 -4.4813 -4.4118 -4.4118 -3.3194 -3.3194 -3.2550 -3.2550 3.4353 3.4353 3.5084 3.5084 3.9920 3.9920 4.4130 4.4130 4.7002 4.7002 4.9574 4.9574 5.4462 5.4462 5.4971 5.4971 5.5759 5.5759 5.8628 5.8628 5.8796 5.8796 6.2259 6.2259 6.6017 6.6017 6.7147 6.7147 7.3036 7.3036 7.3435 7.3435 7.7739 7.7739 8.0180 8.0180 10.5928 10.5928 11.6409 11.6409 11.7178 11.7178 11.8034 11.8034 11.8788 11.8788 k = 0.3824 0.2208-0.0000 ( 5836 PWs) bands (ev): -4.8176 -4.8176 -4.7231 -4.7231 -4.4670 -4.4670 -4.4053 -4.4053 -3.3111 -3.3111 -3.2509 -3.2509 3.3852 3.3852 3.5245 3.5245 4.0176 4.0176 4.3689 4.3689 4.7095 4.7095 4.9588 4.9588 5.4841 5.4841 5.5320 5.5320 5.6094 5.6094 5.8136 5.8136 5.8804 5.8804 6.2815 6.2815 6.6658 6.6658 6.6916 6.6916 7.2872 7.2872 7.3566 7.3566 7.7639 7.7639 7.9862 7.9862 10.6017 10.6017 11.6290 11.6290 11.6896 11.6896 11.7935 11.7935 11.8470 11.8470 k = 0.3922 0.2264-0.0000 ( 5844 PWs) bands (ev): -4.7912 -4.7912 -4.7050 -4.7050 -4.4543 -4.4543 -4.3995 -4.3995 -3.3027 -3.3027 -3.2468 -3.2468 3.3370 3.3370 3.5415 3.5415 4.0431 4.0431 4.3262 4.3262 4.7204 4.7204 4.9622 4.9622 5.5197 5.5197 5.5643 5.5643 5.6406 5.6406 5.7608 5.7608 5.8885 5.8885 6.3339 6.3339 6.6681 6.6681 6.7295 6.7295 7.2727 7.2727 7.3711 7.3711 7.7550 7.7550 7.9536 7.9536 10.6118 10.6118 11.6047 11.6047 11.6567 11.6567 11.7811 11.7811 11.8104 11.8104 k = 0.4020 0.2321-0.0000 ( 5844 PWs) bands (ev): -4.7666 -4.7666 -4.6880 -4.6880 -4.4432 -4.4432 -4.3945 -4.3945 -3.2941 -3.2941 -3.2429 -3.2429 3.2914 3.2914 3.5590 3.5590 4.0680 4.0680 4.2855 4.2855 4.7330 4.7330 4.9669 4.9669 5.5524 5.5524 5.5934 5.5934 5.6683 5.6683 5.7092 5.7092 5.9008 5.9008 6.3827 6.3827 6.6485 6.6485 6.7881 6.7881 7.2599 7.2599 7.3867 7.3867 7.7472 7.7472 7.9205 7.9205 10.6229 10.6229 11.5569 11.5569 11.6348 11.6348 11.7511 11.7511 11.7870 11.7870 k = 0.4118 0.2377-0.0000 ( 5840 PWs) bands (ev): -4.7437 -4.7437 -4.6724 -4.6724 -4.4336 -4.4336 -4.3901 -4.3901 -3.2855 -3.2855 -3.2392 -3.2392 3.2489 3.2489 3.5766 3.5766 4.0915 4.0915 4.2476 4.2476 4.7476 4.7476 4.9726 4.9726 5.5802 5.5802 5.6180 5.6180 5.6535 5.6535 5.7004 5.7004 5.9166 5.9166 6.4270 6.4270 6.6310 6.6310 6.8431 6.8431 7.2490 7.2490 7.4035 7.4035 7.7405 7.7405 7.8872 7.8872 10.6346 10.6346 11.4948 11.4948 11.6205 11.6205 11.7062 11.7062 11.7772 11.7772 k = 0.4216 0.2434-0.0000 ( 5828 PWs) bands (ev): -4.7229 -4.7229 -4.6581 -4.6581 -4.4255 -4.4255 -4.3865 -4.3865 -3.2772 -3.2772 -3.2358 -3.2358 3.2097 3.2097 3.5939 3.5939 4.1129 4.1129 4.2132 4.2132 4.7643 4.7643 4.9790 4.9790 5.5824 5.5824 5.6225 5.6225 5.6433 5.6433 5.7237 5.7237 5.9353 5.9353 6.4663 6.4663 6.6165 6.6165 6.8940 6.8940 7.2398 7.2398 7.4212 7.4212 7.7347 7.7347 7.8538 7.8538 10.6467 10.6467 11.4291 11.4291 11.6084 11.6084 11.6596 11.6596 11.7702 11.7702 k = 0.4314 0.2491-0.0000 ( 5828 PWs) bands (ev): -4.7041 -4.7041 -4.6452 -4.6452 -4.4187 -4.4187 -4.3834 -4.3834 -3.2692 -3.2692 -3.2328 -3.2328 3.1742 3.1742 3.6106 3.6106 4.1304 4.1304 4.1840 4.1840 4.7832 4.7832 4.9856 4.9856 5.5379 5.5379 5.6377 5.6377 5.6622 5.6622 5.7456 5.7456 5.9557 5.9557 6.4988 6.4988 6.6060 6.6060 6.9402 6.9402 7.2323 7.2323 7.4400 7.4400 7.7298 7.7298 7.8207 7.8207 10.6587 10.6587 11.3649 11.3649 11.5971 11.5971 11.6151 11.6151 11.7641 11.7641 k = 0.4412 0.2547-0.0000 ( 5824 PWs) bands (ev): -4.6875 -4.6875 -4.6338 -4.6338 -4.4132 -4.4132 -4.3810 -4.3810 -3.2617 -3.2617 -3.2302 -3.2302 3.1429 3.1429 3.6262 3.6262 4.1357 4.1357 4.1681 4.1681 4.8040 4.8040 4.9922 4.9922 5.4885 5.4885 5.6533 5.6533 5.6805 5.6805 5.7649 5.7649 5.9765 5.9765 6.5222 6.5222 6.6020 6.6020 6.9813 6.9813 7.2263 7.2263 7.4598 7.4598 7.7256 7.7256 7.7882 7.7882 10.6703 10.6703 11.3051 11.3051 11.5736 11.5736 11.5874 11.5874 11.7589 11.7589 k = 0.4510 0.2604-0.0000 ( 5810 PWs) bands (ev): -4.6732 -4.6732 -4.6239 -4.6239 -4.4088 -4.4088 -4.3790 -4.3790 -3.2549 -3.2549 -3.2281 -3.2281 3.1160 3.1160 3.6403 3.6403 4.1205 4.1205 4.1740 4.1740 4.8263 4.8263 4.9984 4.9984 5.4408 5.4408 5.6648 5.6648 5.6975 5.6975 5.7815 5.7815 5.9966 5.9966 6.5335 6.5335 6.6071 6.6071 7.0168 7.0168 7.2218 7.2218 7.4805 7.4805 7.7213 7.7213 7.7572 7.7572 10.6810 10.6810 11.2519 11.2519 11.5377 11.5377 11.5778 11.5778 11.7543 11.7543 k = 0.4608 0.2660-0.0000 ( 5820 PWs) bands (ev): -4.6613 -4.6613 -4.6158 -4.6158 -4.4054 -4.4054 -4.3775 -4.3775 -3.2488 -3.2488 -3.2267 -3.2267 3.0936 3.0936 3.6526 3.6526 4.1023 4.1023 4.1842 4.1842 4.8492 4.8492 5.0040 5.0040 5.3967 5.3967 5.6729 5.6729 5.7124 5.7124 5.7952 5.7952 6.0147 6.0147 6.5353 6.5353 6.6188 6.6188 7.0465 7.0465 7.2185 7.2185 7.5022 7.5022 7.7126 7.7126 7.7322 7.7322 10.6905 10.6905 11.2065 11.2065 11.5073 11.5073 11.5695 11.5695 11.7505 11.7505 k = 0.4706 0.2717-0.0000 ( 5830 PWs) bands (ev): -4.6519 -4.6519 -4.6093 -4.6093 -4.4029 -4.4029 -4.3764 -4.3764 -3.2436 -3.2436 -3.2258 -3.2258 3.0760 3.0760 3.6625 3.6625 4.0872 4.0872 4.1927 4.1927 4.8711 4.8711 5.0088 5.0088 5.3580 5.3580 5.6784 5.6784 5.7245 5.7245 5.8059 5.8059 6.0298 6.0298 6.5331 6.5331 6.6314 6.6314 7.0699 7.0699 7.2162 7.2162 7.5247 7.5247 7.6892 7.6892 7.7234 7.7234 10.6983 10.6983 11.1703 11.1703 11.4831 11.4831 11.5628 11.5628 11.7475 11.7475 k = 0.4804 0.2774-0.0000 ( 5846 PWs) bands (ev): -4.6451 -4.6451 -4.6047 -4.6047 -4.4012 -4.4012 -4.3757 -4.3757 -3.2394 -3.2394 -3.2254 -3.2254 3.0633 3.0633 3.6699 3.6699 4.0762 4.0762 4.1989 4.1989 4.8898 4.8898 5.0125 5.0125 5.3270 5.3270 5.6819 5.6819 5.7333 5.7333 5.8136 5.8136 6.0411 6.0411 6.5304 6.5304 6.6415 6.6415 7.0869 7.0869 7.2148 7.2148 7.5479 7.5479 7.6617 7.6617 7.7209 7.7209 10.7042 10.7042 11.1438 11.1438 11.4655 11.4655 11.5578 11.5578 11.7453 11.7453 k = 0.4902 0.2830-0.0000 ( 5842 PWs) bands (ev): -4.6410 -4.6410 -4.6019 -4.6019 -4.4002 -4.4002 -4.3753 -4.3753 -3.2367 -3.2367 -3.2255 -3.2255 3.0557 3.0557 3.6744 3.6744 4.0694 4.0694 4.2027 4.2027 4.9028 4.9028 5.0149 5.0149 5.3066 5.3066 5.6839 5.6839 5.7387 5.7387 5.8183 5.8183 6.0482 6.0482 6.5284 6.5284 6.6479 6.6479 7.0971 7.0971 7.2140 7.2140 7.5705 7.5705 7.6360 7.6360 7.7199 7.7199 10.7078 10.7078 11.1277 11.1277 11.4549 11.4549 11.5547 11.5547 11.7439 11.7439 k = 0.5000 0.2887-0.0000 ( 5826 PWs) bands (ev): -4.6396 -4.6396 -4.6009 -4.6009 -4.3999 -4.3999 -4.3751 -4.3751 -3.2356 -3.2356 -3.2256 -3.2256 3.0531 3.0531 3.6760 3.6760 4.0672 4.0672 4.2039 4.2039 4.9074 4.9074 5.0157 5.0157 5.2994 5.2994 5.6846 5.6846 5.7405 5.7405 5.8198 5.8198 6.0506 6.0506 6.5277 6.5277 6.6501 6.6501 7.1006 7.1006 7.2137 7.2137 7.5841 7.5841 7.6214 7.6214 7.7196 7.7196 10.7090 10.7090 11.1223 11.1223 11.4513 11.4513 11.5537 11.5537 11.7435 11.7435 k = 0.5000 0.2887-0.0000 ( 5826 PWs) bands (ev): -4.6396 -4.6396 -4.6009 -4.6009 -4.3999 -4.3999 -4.3751 -4.3751 -3.2356 -3.2356 -3.2256 -3.2256 3.0531 3.0531 3.6760 3.6760 4.0672 4.0672 4.2039 4.2039 4.9074 4.9074 5.0157 5.0157 5.2994 5.2994 5.6846 5.6846 5.7405 5.7405 5.8198 5.8198 6.0506 6.0506 6.5277 6.5277 6.6501 6.6501 7.1006 7.1006 7.2137 7.2137 7.5841 7.5841 7.6214 7.6214 7.7196 7.7196 10.7090 10.7090 11.1223 11.1223 11.4513 11.4513 11.5537 11.5537 11.7435 11.7435 k = 0.4944 0.2983-0.0000 ( 5842 PWs) bands (ev): -4.6393 -4.6393 -4.6006 -4.6006 -4.3998 -4.3998 -4.3750 -4.3750 -3.2354 -3.2354 -3.2253 -3.2253 3.0541 3.0541 3.6776 3.6776 4.0673 4.0673 4.2047 4.2047 4.9079 4.9079 5.0158 5.0158 5.3001 5.3001 5.6826 5.6826 5.7409 5.7409 5.8193 5.8193 6.0402 6.0402 6.5404 6.5404 6.6434 6.6434 7.0988 7.0988 7.2146 7.2146 7.5808 7.5808 7.6205 7.6205 7.7235 7.7235 10.7062 10.7062 11.1040 11.1040 11.4530 11.4530 11.5650 11.5650 11.7458 11.7459 k = 0.4889 0.3079-0.0000 ( 5838 PWs) bands (ev): -4.6381 -4.6381 -4.5995 -4.5995 -4.3995 -4.3995 -4.3748 -4.3748 -3.2346 -3.2346 -3.2245 -3.2245 3.0572 3.0572 3.6825 3.6825 4.0678 4.0678 4.2073 4.2073 4.9093 4.9093 5.0160 5.0160 5.3021 5.3021 5.6759 5.6759 5.7421 5.7421 5.8175 5.8175 6.0130 6.0130 6.5750 6.5750 6.6240 6.6240 7.0935 7.0935 7.2172 7.2172 7.5706 7.5706 7.6181 7.6181 7.7349 7.7349 10.6974 10.6974 11.0551 11.0551 11.4582 11.4582 11.5926 11.5926 11.7527 11.7528 k = 0.4833 0.3175-0.0000 ( 5848 PWs) bands (ev): -4.6362 -4.6362 -4.5978 -4.5978 -4.3991 -4.3991 -4.3743 -4.3743 -3.2332 -3.2332 -3.2231 -3.2231 3.0623 3.0623 3.6907 3.6907 4.0686 4.0686 4.2115 4.2115 4.9116 4.9116 5.0163 5.0163 5.3054 5.3054 5.6625 5.6625 5.7444 5.7444 5.8145 5.8145 5.9780 5.9780 6.5908 6.5908 6.6264 6.6264 7.0843 7.0843 7.2215 7.2215 7.5536 7.5536 7.6146 7.6146 7.7529 7.7529 10.6825 10.6825 10.9866 10.9866 11.4677 11.4677 11.6255 11.6255 11.7478 11.7481 k = 0.4778 0.3272-0.0000 ( 5848 PWs) bands (ev): -4.6336 -4.6336 -4.5954 -4.5954 -4.3984 -4.3984 -4.3736 -4.3736 -3.2313 -3.2313 -3.2211 -3.2211 3.0694 3.0694 3.7022 3.7022 4.0696 4.0696 4.2174 4.2174 4.9148 4.9148 5.0167 5.0167 5.3100 5.3100 5.6394 5.6394 5.7479 5.7479 5.8102 5.8102 5.9441 5.9441 6.5494 6.5494 6.6847 6.6847 7.0709 7.0709 7.2275 7.2275 7.5300 7.5300 7.6104 7.6104 7.7760 7.7760 10.6614 10.6614 10.9068 10.9068 11.4821 11.4821 11.6544 11.6544 11.7171 11.7171 k = 0.4722 0.3368-0.0000 ( 5840 PWs) bands (ev): -4.6303 -4.6303 -4.5924 -4.5924 -4.3976 -4.3976 -4.3728 -4.3728 -3.2289 -3.2289 -3.2186 -3.2186 3.0785 3.0785 3.7169 3.7169 4.0708 4.0708 4.2251 4.2251 4.9189 4.9189 5.0172 5.0172 5.3159 5.3159 5.6043 5.6043 5.7528 5.7528 5.8047 5.8047 5.9177 5.9177 6.4989 6.4989 6.7483 6.7483 7.0528 7.0528 7.2352 7.2352 7.5002 7.5002 7.6064 7.6064 7.8025 7.8025 10.6338 10.6338 10.8209 10.8209 11.5022 11.5022 11.6582 11.6582 11.6979 11.6979 k = 0.4667 0.3464-0.0000 ( 5830 PWs) bands (ev): -4.6263 -4.6263 -4.5887 -4.5887 -4.3966 -4.3966 -4.3719 -4.3719 -3.2260 -3.2260 -3.2156 -3.2156 3.0895 3.0895 3.7349 3.7349 4.0721 4.0721 4.2346 4.2346 4.9240 4.9240 5.0178 5.0178 5.3230 5.3230 5.5571 5.5571 5.7591 5.7591 5.7978 5.7978 5.9013 5.9013 6.4413 6.4413 6.8141 6.8141 7.0296 7.0296 7.2445 7.2445 7.4646 7.4646 7.6033 7.6033 7.8309 7.8309 10.6001 10.6001 10.7318 10.7318 11.5281 11.5281 11.6173 11.6173 11.7107 11.7107 k = 0.4611 0.3560-0.0000 ( 5846 PWs) bands (ev): -4.6216 -4.6216 -4.5844 -4.5844 -4.3955 -4.3955 -4.3708 -4.3708 -3.2226 -3.2226 -3.2121 -3.2121 3.1024 3.1024 3.7561 3.7561 4.0733 4.0733 4.2459 4.2459 4.9300 4.9300 5.0185 5.0185 5.3312 5.3312 5.5004 5.5004 5.7668 5.7668 5.7896 5.7896 5.8943 5.8943 6.3781 6.3781 6.8803 6.8803 7.0011 7.0011 7.2553 7.2553 7.4237 7.4237 7.6016 7.6016 7.8596 7.8596 10.5608 10.5608 10.6414 10.6414 11.5564 11.5564 11.5679 11.5679 11.7243 11.7243 k = 0.4556 0.3657-0.0000 ( 5834 PWs) bands (ev): -4.6163 -4.6163 -4.5796 -4.5796 -4.3944 -4.3944 -4.3696 -4.3696 -3.2187 -3.2187 -3.2081 -3.2081 3.1172 3.1172 3.7805 3.7805 4.0744 4.0744 4.2591 4.2591 4.9369 4.9369 5.0192 5.0192 5.3404 5.3404 5.4376 5.4376 5.7744 5.7744 5.7813 5.7813 5.8945 5.8945 6.3108 6.3108 6.9429 6.9429 6.9700 6.9700 7.2675 7.2675 7.3780 7.3780 7.6020 7.6020 7.8876 7.8876 10.5167 10.5167 10.5509 10.5509 11.5046 11.5046 11.5984 11.5984 11.7341 11.7341 k = 0.4500 0.3753-0.0000 ( 5838 PWs) bands (ev): -4.6104 -4.6104 -4.5742 -4.5742 -4.3931 -4.3931 -4.3684 -4.3684 -3.2144 -3.2144 -3.2037 -3.2037 3.1338 3.1338 3.8081 3.8081 4.0752 4.0752 4.2742 4.2742 4.9447 4.9447 5.0200 5.0200 5.3491 5.3491 5.3729 5.3729 5.7673 5.7673 5.7876 5.7876 5.9000 5.9000 6.2403 6.2403 6.9245 6.9245 7.0131 7.0131 7.2807 7.2807 7.3286 7.3286 7.6048 7.6048 7.9138 7.9138 10.4596 10.4596 10.4704 10.4704 11.4417 11.4417 11.6407 11.6407 11.7407 11.7407 k = 0.4444 0.3849-0.0000 ( 5842 PWs) bands (ev): -4.6040 -4.6040 -4.5683 -4.5683 -4.3918 -4.3918 -4.3671 -4.3671 -3.2096 -3.2096 -3.1989 -3.1989 3.1521 3.1521 3.8389 3.8389 4.0754 4.0754 4.2912 4.2912 4.9534 4.9534 5.0208 5.0208 5.3023 5.3023 5.3633 5.3633 5.7546 5.7546 5.7993 5.7993 5.9094 5.9094 6.1677 6.1677 6.8796 6.8796 7.0753 7.0753 7.2713 7.2713 7.2995 7.2995 7.6101 7.6101 7.9376 7.9376 10.3720 10.3720 10.4192 10.4192 11.3755 11.3755 11.6871 11.6871 11.7445 11.7445 k = 0.4389 0.3945-0.0000 ( 5830 PWs) bands (ev): -4.5970 -4.5970 -4.5619 -4.5619 -4.3905 -4.3905 -4.3658 -4.3658 -3.2045 -3.2045 -3.1937 -3.1937 3.1721 3.1721 3.8728 3.8728 4.0748 4.0748 4.3102 4.3102 4.9628 4.9628 5.0218 5.0218 5.2354 5.2354 5.3749 5.3749 5.7400 5.7400 5.8124 5.8124 5.9218 5.9218 6.0936 6.0936 6.8294 6.8294 7.1350 7.1350 7.2161 7.2161 7.3149 7.3149 7.6179 7.6179 7.9582 7.9582 10.2853 10.2853 10.3670 10.3670 11.3069 11.3069 11.7357 11.7357 11.7470 11.7470 k = 0.4333 0.4041-0.0000 ( 5822 PWs) bands (ev): -4.5897 -4.5897 -4.5551 -4.5551 -4.3892 -4.3892 -4.3646 -4.3646 -3.1991 -3.1991 -3.1882 -3.1882 3.1935 3.1935 3.9097 3.9097 4.0730 4.0730 4.3313 4.3313 4.9727 4.9727 5.0228 5.0228 5.1700 5.1700 5.3873 5.3873 5.7237 5.7237 5.8267 5.8267 5.9364 5.9364 6.0191 6.0191 6.7747 6.7747 7.1534 7.1534 7.1950 7.1950 7.3333 7.3333 7.6279 7.6279 7.9753 7.9753 10.2008 10.2008 10.3141 10.3141 11.2367 11.2367 11.7459 11.7459 11.7876 11.7876 k = 0.4278 0.4138-0.0000 ( 5824 PWs) bands (ev): -4.5819 -4.5819 -4.5479 -4.5479 -4.3880 -4.3880 -4.3634 -4.3634 -3.1934 -3.1934 -3.1824 -3.1824 3.2164 3.2164 3.9495 3.9495 4.0698 4.0698 4.3544 4.3544 4.9830 4.9830 5.0242 5.0242 5.1075 5.1075 5.4002 5.4002 5.7057 5.7057 5.8420 5.8420 5.9415 5.9415 5.9560 5.9560 6.7163 6.7163 7.0923 7.0923 7.2471 7.2471 7.3541 7.3541 7.6399 7.6399 7.9887 7.9887 10.1188 10.1188 10.2613 10.2613 11.1656 11.1656 11.7446 11.7446 11.7858 11.7858 k = 0.4222 0.4234-0.0000 ( 5834 PWs) bands (ev): -4.5738 -4.5738 -4.5404 -4.5404 -4.3869 -4.3869 -4.3622 -4.3622 -3.1874 -3.1874 -3.1764 -3.1764 3.2406 3.2406 3.9920 3.9920 4.0648 4.0648 4.3797 4.3797 4.9923 4.9923 5.0263 5.0263 5.0495 5.0495 5.4132 5.4132 5.6861 5.6861 5.8531 5.8531 5.8748 5.8748 5.9719 5.9719 6.6549 6.6549 7.0278 7.0278 7.2952 7.2952 7.3779 7.3779 7.6537 7.6537 7.9982 7.9982 10.0395 10.0395 10.2093 10.2093 11.0943 11.0943 11.7342 11.7342 11.7519 11.7519 k = 0.4167 0.4330-0.0000 ( 5834 PWs) bands (ev): -4.5654 -4.5654 -4.5327 -4.5327 -4.3859 -4.3859 -4.3612 -4.3612 -3.1812 -3.1812 -3.1703 -3.1703 3.2660 3.2660 4.0350 4.0350 4.0596 4.0596 4.4071 4.4071 4.9865 4.9865 5.0101 5.0101 5.0302 5.0302 5.4260 5.4260 5.6649 5.6649 5.7932 5.7932 5.8791 5.8791 5.9910 5.9910 6.5913 6.5913 6.9616 6.9616 7.3368 7.3368 7.4061 7.4061 7.6689 7.6689 8.0037 8.0037 9.9632 9.9632 10.1588 10.1588 11.0233 11.0233 11.6941 11.6941 11.7462 11.7462 k = 0.4111 0.4426-0.0000 ( 5826 PWs) bands (ev): -4.5568 -4.5568 -4.5247 -4.5247 -4.3850 -4.3850 -4.3604 -4.3604 -3.1749 -3.1749 -3.1640 -3.1640 3.2924 3.2924 4.0433 4.0433 4.0890 4.0890 4.4367 4.4367 4.9424 4.9424 5.0117 5.0117 5.0373 5.0373 5.4380 5.4380 5.6419 5.6419 5.7218 5.7218 5.8974 5.8974 6.0110 6.0110 6.5263 6.5263 6.8940 6.8940 7.3711 7.3711 7.4391 7.4391 7.6851 7.6851 8.0054 8.0054 9.8900 9.8900 10.1104 10.1104 10.9531 10.9531 11.6496 11.6496 11.7451 11.7451 k = 0.4056 0.4523-0.0000 ( 5826 PWs) bands (ev): -4.5481 -4.5481 -4.5165 -4.5165 -4.3844 -4.3844 -4.3598 -4.3598 -3.1686 -3.1686 -3.1577 -3.1577 3.3197 3.3197 4.0303 4.0303 4.1389 4.1389 4.4685 4.4685 4.9002 4.9002 5.0144 5.0144 5.0476 5.0476 5.4488 5.4488 5.6157 5.6157 5.6536 5.6536 5.9172 5.9172 6.0315 6.0315 6.4610 6.4610 6.8255 6.8255 7.3998 7.3998 7.4749 7.4749 7.7021 7.7021 8.0033 8.0033 9.8201 9.8201 10.0643 10.0643 10.8845 10.8845 11.6052 11.6052 11.7448 11.7448 k = 0.4000 0.4619-0.0000 ( 5822 PWs) bands (ev): -4.5393 -4.5393 -4.5083 -4.5083 -4.3840 -4.3840 -4.3593 -4.3593 -3.1623 -3.1623 -3.1514 -3.1514 3.3477 3.3477 4.0130 4.0130 4.1919 4.1919 4.5025 4.5025 4.8645 4.8645 5.0156 5.0156 5.0596 5.0596 5.4574 5.4574 5.5724 5.5724 5.6039 5.6039 5.9378 5.9378 6.0521 6.0521 6.3963 6.3963 6.7564 6.7564 7.4254 7.4254 7.5110 7.5110 7.7196 7.7196 7.9977 7.9977 9.7538 9.7538 10.0211 10.0211 10.8179 10.8179 11.5619 11.5619 11.7454 11.7454 k = 0.3944 0.4715-0.0000 ( 5826 PWs) bands (ev): -4.5304 -4.5304 -4.5000 -4.5000 -4.3838 -4.3838 -4.3592 -4.3592 -3.1560 -3.1560 -3.1452 -3.1452 3.3762 3.3762 3.9918 3.9918 4.2472 4.2472 4.5388 4.5388 4.8358 4.8358 5.0160 5.0160 5.0721 5.0721 5.4627 5.4627 5.5100 5.5100 5.5756 5.5756 5.9592 5.9592 6.0725 6.0725 6.3334 6.3334 6.6870 6.6870 7.4496 7.4496 7.5453 7.5453 7.7373 7.7373 7.9889 7.9889 9.6911 9.6911 9.9809 9.9809 10.7538 10.7538 11.5202 11.5202 11.7469 11.7469 k = 0.3889 0.4811-0.0000 ( 5820 PWs) bands (ev): -4.5216 -4.5216 -4.4918 -4.4918 -4.3839 -4.3839 -4.3593 -4.3593 -3.1500 -3.1500 -3.1391 -3.1391 3.4051 3.4051 3.9672 3.9672 4.3043 4.3043 4.5772 4.5772 4.8142 4.8142 5.0158 5.0158 5.0841 5.0841 5.4446 5.4446 5.4663 5.4663 5.5511 5.5511 5.9811 5.9811 6.0922 6.0922 6.2739 6.2739 6.6179 6.6179 7.4732 7.4732 7.5772 7.5772 7.7547 7.7547 7.9771 7.9771 9.6322 9.6322 9.9439 9.9439 10.6928 10.6928 11.4805 11.4805 11.7491 11.7491 k = 0.3833 0.4907-0.0000 ( 5820 PWs) bands (ev): -4.5129 -4.5129 -4.4836 -4.4836 -4.3843 -4.3843 -4.3597 -4.3597 -3.1442 -3.1442 -3.1332 -3.1332 3.4340 3.4340 3.9396 3.9396 4.3630 4.3630 4.6179 4.6179 4.7997 4.7997 5.0150 5.0150 5.0947 5.0947 5.3851 5.3851 5.4608 5.4608 5.5283 5.5283 6.0033 6.0033 6.1109 6.1109 6.2193 6.2193 6.5494 6.5494 7.4966 7.4966 7.6060 7.6060 7.7717 7.7717 7.9628 7.9628 9.5776 9.5776 9.9104 9.9104 10.6354 10.6354 11.4434 11.4434 11.7521 11.7521 k = 0.3778 0.5004-0.0000 ( 5828 PWs) bands (ev): -4.5044 -4.5044 -4.4757 -4.4757 -4.3849 -4.3849 -4.3604 -4.3604 -3.1387 -3.1387 -3.1276 -3.1276 3.4630 3.4630 3.9094 3.9094 4.4226 4.4226 4.6608 4.6608 4.7917 4.7917 5.0135 5.0135 5.1030 5.1030 5.3281 5.3281 5.4496 5.4496 5.5073 5.5073 6.0255 6.0255 6.1280 6.1280 6.1716 6.1716 6.4821 6.4821 7.5199 7.5199 7.6317 7.6317 7.7879 7.7879 7.9462 7.9462 9.5272 9.5272 9.8805 9.8805 10.5821 10.5821 11.4092 11.4092 11.7557 11.7557 k = 0.3722 0.5100-0.0000 ( 5832 PWs) bands (ev): -4.4962 -4.4962 -4.4680 -4.4680 -4.3859 -4.3859 -4.3613 -4.3613 -3.1336 -3.1336 -3.1224 -3.1224 3.4916 3.4916 3.8777 3.8777 4.4827 4.4827 4.7059 4.7059 4.7898 4.7898 5.0110 5.0110 5.1078 5.1078 5.2754 5.2754 5.4312 5.4312 5.4882 5.4882 6.0476 6.0476 6.1301 6.1301 6.1454 6.1454 6.4166 6.4166 7.5430 7.5430 7.6542 7.6542 7.8030 7.8030 7.9280 7.9280 9.4816 9.4816 9.8540 9.8540 10.5335 10.5335 11.3782 11.3782 11.7597 11.7597 k = 0.3667 0.5196-0.0000 ( 5836 PWs) bands (ev): -4.4884 -4.4884 -4.4607 -4.4607 -4.3872 -4.3872 -4.3626 -4.3626 -3.1290 -3.1290 -3.1177 -3.1177 3.5198 3.5198 3.8450 3.8450 4.5423 4.5423 4.7530 4.7530 4.7935 4.7935 5.0068 5.0068 5.1082 5.1082 5.2281 5.2281 5.4048 5.4048 5.4718 5.4718 6.0692 6.0692 6.1011 6.1011 6.1575 6.1575 6.3537 6.3537 7.5660 7.5660 7.6737 7.6737 7.8167 7.8167 7.9085 7.9085 9.4408 9.4408 9.8312 9.8312 10.4900 10.4900 11.3506 11.3506 11.7640 11.7640 k = 0.3611 0.5292-0.0000 ( 5836 PWs) bands (ev): -4.4812 -4.4812 -4.4540 -4.4540 -4.3886 -4.3886 -4.3640 -4.3640 -3.1250 -3.1250 -3.1134 -3.1134 3.5474 3.5474 3.8123 3.8123 4.6003 4.6003 4.8004 4.8004 4.8037 4.8037 4.9999 4.9999 5.1035 5.1035 5.1876 5.1876 5.3691 5.3691 5.4598 5.4598 6.0808 6.0808 6.0902 6.0902 6.1678 6.1678 6.2943 6.2943 7.5885 7.5885 7.6904 7.6904 7.8282 7.8282 7.8884 7.8884 9.4054 9.4054 9.8119 9.8119 10.4521 10.4521 11.3268 11.3268 11.7682 11.7682 k = 0.3556 0.5389-0.0000 ( 5824 PWs) bands (ev): -4.4747 -4.4747 -4.4479 -4.4479 -4.3902 -4.3902 -4.3656 -4.3656 -3.1215 -3.1215 -3.1098 -3.1098 3.5741 3.5741 3.7802 3.7802 4.6552 4.6552 4.8146 4.8146 4.8533 4.8533 4.9888 4.9888 5.0945 5.0945 5.1555 5.1555 5.3240 5.3240 5.4529 5.4529 6.0699 6.0699 6.1098 6.1098 6.1749 6.1749 6.2398 6.2398 7.6098 7.6098 7.7048 7.7048 7.8359 7.8359 7.8698 7.8698 9.3756 9.3756 9.7961 9.7961 10.4202 10.4202 11.3069 11.3069 11.7722 11.7722 k = 0.3500 0.5485-0.0000 ( 5824 PWs) bands (ev): -4.4691 -4.4691 -4.4427 -4.4427 -4.3919 -4.3919 -4.3672 -4.3672 -3.1188 -3.1188 -3.1069 -3.1069 3.5999 3.5999 3.7495 3.7495 4.7045 4.7045 4.8313 4.8313 4.9057 4.9057 4.9726 4.9726 5.0834 5.0834 5.1327 5.1327 5.2710 5.2710 5.4503 5.4503 6.0671 6.0671 6.1278 6.1278 6.1761 6.1761 6.1938 6.1938 7.6291 7.6291 7.7180 7.7180 7.8325 7.8325 7.8601 7.8601 9.3519 9.3519 9.7839 9.7839 10.3948 10.3948 11.2912 11.2912 11.7757 11.7757 k = 0.3444 0.5581-0.0000 ( 5808 PWs) bands (ev): -4.4647 -4.4647 -4.4387 -4.4387 -4.3933 -4.3933 -4.3686 -4.3686 -3.1168 -3.1168 -3.1047 -3.1047 3.6247 3.6247 3.7207 3.7207 4.7447 4.7447 4.8511 4.8511 4.9480 4.9480 4.9632 4.9632 5.0743 5.0743 5.1180 5.1180 5.2119 5.2119 5.4504 5.4504 6.0709 6.0709 6.1410 6.1410 6.1502 6.1502 6.1818 6.1818 7.6445 7.6445 7.7312 7.7312 7.8161 7.8161 7.8616 7.8616 9.3345 9.3345 9.7751 9.7751 10.3763 10.3763 11.2797 11.2797 11.7784 11.7784 k = 0.3389 0.5677-0.0000 ( 5808 PWs) bands (ev): -4.4619 -4.4619 -4.4361 -4.4361 -4.3944 -4.3944 -4.3695 -4.3695 -3.1155 -3.1155 -3.1033 -3.1033 3.6484 3.6484 3.6944 3.6944 4.7712 4.7712 4.8728 4.8728 4.9266 4.9266 5.0157 5.0157 5.0713 5.0713 5.1085 5.1085 5.1507 5.1507 5.4514 5.4514 6.0795 6.0795 6.1156 6.1156 6.1587 6.1587 6.1775 6.1775 7.6544 7.6544 7.7451 7.7451 7.7978 7.7978 7.8643 7.8643 9.3238 9.3238 9.7699 9.7699 10.3650 10.3650 11.2728 11.2728 11.7801 11.7801 k = 0.3333 0.5774-0.0000 ( 5802 PWs) bands (ev): -4.4608 -4.4608 -4.4352 -4.4352 -4.3947 -4.3947 -4.3699 -4.3699 -3.1151 -3.1151 -3.1029 -3.1029 3.6700 3.6700 3.6717 3.6717 4.7803 4.7803 4.8892 4.8892 4.9095 4.9095 5.0651 5.0651 5.0736 5.0736 5.0803 5.0803 5.1209 5.1209 5.4519 5.4519 6.0876 6.0876 6.1000 6.1000 6.1696 6.1696 6.1700 6.1700 7.6577 7.6577 7.7538 7.7538 7.7874 7.7874 7.8654 7.8654 9.3202 9.3202 9.7681 9.7681 10.3611 10.3611 11.2705 11.2705 11.7807 11.7807 k = 0.3333 0.5774-0.0000 ( 5802 PWs) bands (ev): -4.4608 -4.4608 -4.4352 -4.4352 -4.3947 -4.3947 -4.3699 -4.3699 -3.1151 -3.1151 -3.1029 -3.1029 3.6700 3.6700 3.6717 3.6717 4.7803 4.7803 4.8892 4.8892 4.9095 4.9095 5.0651 5.0651 5.0736 5.0736 5.0803 5.0803 5.1209 5.1209 5.4519 5.4519 6.0876 6.0876 6.1000 6.1000 6.1696 6.1696 6.1700 6.1700 7.6577 7.6577 7.7538 7.7538 7.7874 7.7874 7.8654 7.8654 9.3202 9.3202 9.7681 9.7681 10.3611 10.3611 11.2705 11.2705 11.7807 11.7807 k = 0.3277 0.5676-0.0000 ( 5810 PWs) bands (ev): -4.4619 -4.4619 -4.4361 -4.4361 -4.3943 -4.3943 -4.3695 -4.3695 -3.1156 -3.1156 -3.1034 -3.1034 3.6503 3.6503 3.6926 3.6926 4.7716 4.7716 4.8720 4.8720 4.9279 4.9279 5.0026 5.0026 5.0886 5.0886 5.1117 5.1117 5.1420 5.1420 5.4515 5.4515 6.0837 6.0837 6.1117 6.1117 6.1580 6.1580 6.1780 6.1780 7.6545 7.6545 7.7439 7.7439 7.7989 7.7989 7.8643 7.8643 9.3240 9.3240 9.7700 9.7700 10.3652 10.3652 11.2729 11.2729 11.7801 11.7801 k = 0.3220 0.5578-0.0000 ( 5820 PWs) bands (ev): -4.4652 -4.4652 -4.4391 -4.4391 -4.3931 -4.3931 -4.3684 -4.3684 -3.1169 -3.1169 -3.1048 -3.1048 3.6335 3.6335 3.7131 3.7131 4.7484 4.7484 4.8488 4.8488 4.9301 4.9301 4.9560 4.9560 5.0998 5.0998 5.1290 5.1290 5.1959 5.1959 5.4515 5.4515 6.0886 6.0886 6.1285 6.1285 6.1434 6.1434 6.1828 6.1828 7.6455 7.6455 7.7264 7.7264 7.8197 7.8197 7.8613 7.8613 9.3357 9.3357 9.7755 9.7755 10.3774 10.3774 11.2803 11.2803 11.7780 11.7780 k = 0.3164 0.5480-0.0000 ( 5828 PWs) bands (ev): -4.4706 -4.4706 -4.4439 -4.4439 -4.3913 -4.3913 -4.3667 -4.3667 -3.1192 -3.1192 -3.1073 -3.1073 3.6206 3.6206 3.7326 3.7326 4.7150 4.7150 4.8268 4.8268 4.8574 4.8574 4.9858 4.9858 5.1086 5.1086 5.1428 5.1428 5.2548 5.2548 5.4547 5.4547 6.1053 6.1053 6.1203 6.1203 6.1522 6.1522 6.1841 6.1841 7.6315 7.6315 7.7084 7.7084 7.8369 7.8369 7.8617 7.8617 9.3553 9.3553 9.7849 9.7849 10.3980 10.3980 11.2927 11.2927 11.7747 11.7747 k = 0.3107 0.5382-0.0000 ( 5830 PWs) bands (ev): -4.4779 -4.4779 -4.4503 -4.4503 -4.3893 -4.3893 -4.3647 -4.3647 -3.1225 -3.1225 -3.1108 -3.1108 3.6119 3.6119 3.7510 3.7510 4.6747 4.6747 4.7827 4.7827 4.8091 4.8091 5.0175 5.0175 5.1162 5.1162 5.1491 5.1491 5.3147 5.3147 5.4641 5.4641 6.0957 6.0957 6.1339 6.1339 6.1720 6.1720 6.1833 6.1833 7.6128 7.6128 7.6913 7.6913 7.8347 7.8347 7.8794 7.8794 9.3830 9.3830 9.7983 9.7983 10.4270 10.4270 11.3101 11.3101 11.7701 11.7701 k = 0.3051 0.5284-0.0000 ( 5830 PWs) bands (ev): -4.4870 -4.4870 -4.4582 -4.4582 -4.3872 -4.3872 -4.3627 -4.3627 -3.1267 -3.1267 -3.1153 -3.1153 3.6077 3.6077 3.7687 3.7687 4.6291 4.6291 4.7109 4.7109 4.7923 4.7923 5.0503 5.0503 5.1209 5.1209 5.1477 5.1477 5.3748 5.3748 5.4813 5.4813 6.0683 6.0683 6.1639 6.1639 6.1798 6.1798 6.1987 6.1987 7.5898 7.5898 7.6754 7.6754 7.8223 7.8223 7.9042 7.9042 9.4187 9.4187 9.8158 9.8158 10.4644 10.4644 11.3324 11.3324 11.7644 11.7644 k = 0.2994 0.5186-0.0000 ( 5830 PWs) bands (ev): -4.4976 -4.4976 -4.4674 -4.4674 -4.3853 -4.3853 -4.3607 -4.3607 -3.1321 -3.1321 -3.1205 -3.1205 3.6080 3.6080 3.7856 3.7856 4.5789 4.5789 4.6408 4.6408 4.7791 4.7791 5.0837 5.0837 5.1144 5.1144 5.1479 5.1479 5.4336 5.4336 5.5060 5.5060 6.0377 6.0377 6.1588 6.1588 6.2148 6.2148 6.2260 6.2260 7.5626 7.5626 7.6610 7.6610 7.8057 7.8057 7.9300 7.9300 9.4624 9.4624 9.8376 9.8376 10.5101 10.5101 11.3596 11.3596 11.7580 11.7580 k = 0.2938 0.5089-0.0000 ( 5832 PWs) bands (ev): -4.5097 -4.5097 -4.4778 -4.4778 -4.3839 -4.3839 -4.3591 -4.3591 -3.1385 -3.1385 -3.1265 -3.1265 3.6130 3.6130 3.8019 3.8019 4.5239 4.5239 4.5744 4.5744 4.7691 4.7691 5.0938 5.0938 5.1176 5.1176 5.1552 5.1552 5.4881 5.4881 5.5386 5.5386 6.0045 6.0045 6.1437 6.1437 6.2425 6.2425 6.2726 6.2726 7.5315 7.5315 7.6480 7.6480 7.7857 7.7857 7.9556 7.9556 9.5137 9.5137 9.8640 9.8640 10.5639 10.5639 11.3916 11.3916 11.7512 11.7512 k = 0.2881 0.4991-0.0000 ( 5830 PWs) bands (ev): -4.5232 -4.5232 -4.4893 -4.4893 -4.3830 -4.3830 -4.3578 -4.3578 -3.1461 -3.1461 -3.1330 -3.1330 3.6227 3.6227 3.8177 3.8177 4.4635 4.4635 4.5132 4.5132 4.7623 4.7623 5.0666 5.0666 5.1496 5.1496 5.1664 5.1664 5.5322 5.5322 5.5825 5.5825 5.9694 5.9694 6.1242 6.1242 6.2667 6.2667 6.3274 6.3274 7.4966 7.4966 7.6364 7.6364 7.7628 7.7628 7.9806 7.9806 9.5722 9.5722 9.8950 9.8950 10.6256 10.6256 11.4282 11.4282 11.7445 11.7445 k = 0.2825 0.4893-0.0000 ( 5830 PWs) bands (ev): -4.5382 -4.5382 -4.5018 -4.5018 -4.3829 -4.3829 -4.3570 -4.3570 -3.1548 -3.1548 -3.1400 -3.1400 3.6373 3.6373 3.8330 3.8330 4.3994 4.3994 4.4565 4.4565 4.7587 4.7587 5.0361 5.0361 5.1710 5.1710 5.1885 5.1885 5.5654 5.5654 5.6359 5.6359 5.9334 5.9334 6.1008 6.1008 6.2903 6.2903 6.3854 6.3854 7.4580 7.4580 7.6262 7.6262 7.7373 7.7373 8.0046 8.0046 9.6375 9.6375 9.9308 9.9308 10.6949 10.6949 11.4689 11.4689 11.7384 11.7384 k = 0.2768 0.4795-0.0000 ( 5830 PWs) bands (ev): -4.5546 -4.5546 -4.5153 -4.5153 -4.3835 -4.3835 -4.3567 -4.3567 -3.1646 -3.1646 -3.1474 -3.1474 3.6567 3.6567 3.8481 3.8481 4.3339 4.3339 4.4026 4.4026 4.7585 4.7585 5.0042 5.0042 5.1831 5.1831 5.2185 5.2185 5.5927 5.5927 5.6923 5.6923 5.8975 5.8975 6.0738 6.0738 6.3134 6.3134 6.4452 6.4452 7.4160 7.4160 7.6171 7.6171 7.7098 7.7098 8.0276 8.0276 9.7089 9.7089 9.9716 9.9716 10.7713 10.7713 11.5136 11.5136 11.7336 11.7336 k = 0.2712 0.4697-0.0000 ( 5818 PWs) bands (ev): -4.5724 -4.5724 -4.5297 -4.5297 -4.3851 -4.3851 -4.3571 -4.3571 -3.1753 -3.1753 -3.1550 -3.1550 3.6809 3.6809 3.8628 3.8628 4.2688 4.2688 4.3504 4.3504 4.7616 4.7616 4.9721 4.9721 5.1941 5.1941 5.2472 5.2472 5.6159 5.6159 5.7480 5.7480 5.8636 5.8636 6.0436 6.0436 6.3357 6.3357 6.5058 6.5058 7.3707 7.3707 7.6091 7.6091 7.6809 7.6809 8.0494 8.0494 9.7857 9.7857 10.0172 10.0172 10.8545 10.8545 11.5615 11.5615 11.7310 11.7310 k = 0.2655 0.4599-0.0000 ( 5820 PWs) bands (ev): -4.5916 -4.5916 -4.5451 -4.5451 -4.3878 -4.3878 -4.3581 -4.3581 -3.1868 -3.1868 -3.1630 -3.1630 3.7100 3.7100 3.8772 3.8772 4.2050 4.2050 4.2995 4.2995 4.7681 4.7681 4.9404 4.9404 5.2046 5.2046 5.2719 5.2719 5.6354 5.6354 5.7981 5.7981 5.8369 5.8369 6.0105 6.0105 6.3568 6.3568 6.5663 6.5663 7.3225 7.3225 7.6020 7.6020 7.6515 7.6515 8.0700 8.0700 9.8669 9.8669 10.0676 10.0676 10.9439 10.9439 11.6120 11.6120 11.7313 11.7313 k = 0.2599 0.4501-0.0000 ( 5824 PWs) bands (ev): -4.6122 -4.6122 -4.5614 -4.5614 -4.3916 -4.3916 -4.3598 -4.3598 -3.1990 -3.1990 -3.1711 -3.1711 3.7439 3.7439 3.8913 3.8913 4.1429 4.1429 4.2500 4.2500 4.7779 4.7779 4.9099 4.9099 5.2148 5.2148 5.2907 5.2907 5.6510 5.6510 5.7993 5.7993 5.8622 5.8622 5.9749 5.9749 6.3762 6.3762 6.6262 6.6262 7.2717 7.2717 7.5948 7.5948 7.6230 7.6230 8.0894 8.0894 9.9514 9.9514 10.1224 10.1224 11.0388 11.0388 11.6641 11.6641 11.7356 11.7356 k = 0.2542 0.4404-0.0000 ( 5822 PWs) bands (ev): -4.6343 -4.6343 -4.5785 -4.5785 -4.3966 -4.3966 -4.3622 -4.3622 -3.2116 -3.2116 -3.1794 -3.1794 3.7826 3.7826 3.9049 3.9049 4.0829 4.0829 4.2021 4.2021 4.7906 4.7906 4.8810 4.8810 5.2247 5.2247 5.3013 5.3013 5.6625 5.6625 5.7820 5.7820 5.9103 5.9103 5.9376 5.9376 6.3934 6.3934 6.6850 6.6850 7.2186 7.2186 7.5832 7.5832 7.6011 7.6011 8.1075 8.1075 10.0381 10.0381 10.1813 10.1813 11.1385 11.1385 11.7161 11.7161 11.7456 11.7456 k = 0.2486 0.4306-0.0000 ( 5818 PWs) bands (ev): -4.6577 -4.6577 -4.5965 -4.5965 -4.4029 -4.4029 -4.3653 -4.3653 -3.2245 -3.2245 -3.1878 -3.1878 3.8258 3.8258 3.9182 3.9182 4.0252 4.0252 4.1558 4.1558 4.8049 4.8049 4.8554 4.8554 5.2343 5.2343 5.3019 5.3019 5.6702 5.6702 5.7722 5.7722 5.8971 5.8971 5.9582 5.9582 6.4073 6.4073 6.7423 6.7423 7.1637 7.1637 7.5617 7.5617 7.5922 7.5922 8.1243 8.1243 10.1255 10.1255 10.2435 10.2435 11.2423 11.2423 11.7559 11.7559 11.7730 11.7730 k = 0.2429 0.4208-0.0000 ( 5824 PWs) bands (ev): -4.6825 -4.6825 -4.6154 -4.6154 -4.4106 -4.4106 -4.3692 -4.3692 -3.2376 -3.2376 -3.1961 -3.1961 3.8735 3.8735 3.9309 3.9309 3.9701 3.9701 4.1116 4.1116 4.8101 4.8101 4.8436 4.8436 5.2437 5.2437 5.2916 5.2916 5.6741 5.6741 5.7715 5.7715 5.8562 5.8562 6.0019 6.0019 6.4172 6.4172 6.7980 6.7980 7.1077 7.1077 7.5400 7.5400 7.5880 7.5880 8.1399 8.1399 10.2120 10.2120 10.3081 10.3081 11.3492 11.3492 11.7805 11.7805 11.8204 11.8204 k = 0.2373 0.4110-0.0000 ( 5826 PWs) bands (ev): -4.7088 -4.7088 -4.6350 -4.6350 -4.4197 -4.4197 -4.3738 -4.3738 -3.2506 -3.2506 -3.2043 -3.2043 3.9168 3.9168 3.9251 3.9251 3.9444 3.9444 4.0697 4.0697 4.7929 4.7929 4.8586 4.8586 5.2518 5.2518 5.2726 5.2726 5.6743 5.6743 5.7785 5.7785 5.8148 5.8148 6.0422 6.0422 6.4219 6.4219 6.8519 6.8519 7.0511 7.0511 7.5226 7.5226 7.5854 7.5854 8.1542 8.1542 10.2962 10.2962 10.3740 10.3740 11.4582 11.4582 11.8118 11.8118 11.8646 11.8646 k = 0.2316 0.4012-0.0000 ( 5824 PWs) bands (ev): -4.7363 -4.7363 -4.6555 -4.6555 -4.4304 -4.4304 -4.3792 -4.3792 -3.2635 -3.2635 -3.2124 -3.2124 3.8674 3.8674 3.9527 3.9527 3.9839 3.9839 4.0308 4.0308 4.7709 4.7709 4.8823 4.8823 5.2382 5.2382 5.2677 5.2677 5.6702 5.6702 5.7676 5.7676 5.7973 5.7973 6.0786 6.0786 6.4205 6.4205 6.9037 6.9037 6.9949 6.9949 7.5114 7.5114 7.5838 7.5838 8.1674 8.1674 10.3764 10.3764 10.4397 10.4397 11.5680 11.5680 11.8523 11.8523 11.9014 11.9014 k = 0.2260 0.3914-0.0000 ( 5820 PWs) bands (ev): -4.7652 -4.7652 -4.6767 -4.6767 -4.4426 -4.4426 -4.3854 -4.3854 -3.2760 -3.2760 -3.2203 -3.2203 3.8206 3.8206 3.9604 3.9604 3.9973 3.9973 4.0443 4.0443 4.7494 4.7494 4.9085 4.9085 5.2037 5.2037 5.2788 5.2788 5.6615 5.6615 5.7252 5.7252 5.8150 5.8150 6.1110 6.1110 6.4122 6.4122 6.9384 6.9384 6.9553 6.9553 7.5074 7.5074 7.5833 7.5833 8.1795 8.1795 10.4510 10.4510 10.5037 10.5037 11.6772 11.6772 11.9004 11.9004 11.9289 11.9289 k = 0.2203 0.3816-0.0000 ( 5822 PWs) bands (ev): -4.7953 -4.7953 -4.6986 -4.6986 -4.4564 -4.4564 -4.3924 -4.3924 -3.2880 -3.2880 -3.2279 -3.2279 3.7768 3.7768 3.9482 3.9482 3.9858 3.9858 4.1089 4.1089 4.7292 4.7292 4.9354 4.9354 5.1640 5.1640 5.2935 5.2935 5.6478 5.6478 5.6818 5.6818 5.8359 5.8359 6.1389 6.1389 6.3967 6.3967 6.8872 6.8872 7.0022 7.0022 7.5113 7.5113 7.5838 7.5838 8.1903 8.1903 10.5188 10.5188 10.5643 10.5643 11.7840 11.7840 11.9298 11.9298 11.9651 11.9651 k = 0.2147 0.3719-0.0000 ( 5822 PWs) bands (ev): -4.8265 -4.8265 -4.7212 -4.7212 -4.4718 -4.4718 -4.4001 -4.4001 -3.2995 -3.2995 -3.2352 -3.2352 3.7361 3.7361 3.9198 3.9198 3.9927 3.9927 4.1774 4.1774 4.7104 4.7104 4.9612 4.9612 5.1214 5.1214 5.3123 5.3123 5.6264 5.6264 5.6415 5.6415 5.8561 5.8561 6.1619 6.1619 6.3745 6.3745 6.8391 6.8391 7.0480 7.0480 7.5235 7.5235 7.5854 7.5854 8.2001 8.2001 10.5792 10.5792 10.6198 10.6198 11.8859 11.8859 11.9391 11.9391 11.9791 11.9791 k = 0.2090 0.3621-0.0000 ( 5822 PWs) bands (ev): -4.8589 -4.8589 -4.7444 -4.7444 -4.4889 -4.4889 -4.4085 -4.4085 -3.3102 -3.3102 -3.2421 -3.2421 3.6986 3.6986 3.8915 3.8915 4.0022 4.0022 4.2494 4.2494 4.6930 4.6930 4.9842 4.9842 5.0772 5.0772 5.3367 5.3367 5.5885 5.5885 5.6138 5.6138 5.8731 5.8731 6.1787 6.1787 6.3471 6.3471 6.7970 6.7970 7.0918 7.0918 7.5433 7.5433 7.5884 7.5884 8.2088 8.2088 10.6316 10.6316 10.6687 10.6687 11.9443 11.9443 11.9680 11.9680 12.0019 12.0019 k = 0.2034 0.3523-0.0000 ( 5818 PWs) bands (ev): -4.8924 -4.8924 -4.7683 -4.7683 -4.5075 -4.5075 -4.4177 -4.4177 -3.3201 -3.3201 -3.2486 -3.2486 3.6644 3.6644 3.8656 3.8656 4.0120 4.0120 4.3245 4.3245 4.6771 4.6771 5.0024 5.0024 5.0325 5.0325 5.3681 5.3681 5.5455 5.5455 5.5880 5.5880 5.8845 5.8845 6.1862 6.1862 6.3183 6.3183 6.7629 6.7629 7.1334 7.1334 7.5696 7.5696 7.5934 7.5934 8.2165 8.2165 10.6764 10.6764 10.7101 10.7101 11.9411 11.9411 11.9927 11.9927 12.0804 12.0804 k = 0.1977 0.3425-0.0000 ( 5832 PWs) bands (ev): -4.9267 -4.9267 -4.7927 -4.7927 -4.5276 -4.5276 -4.4277 -4.4277 -3.3292 -3.3292 -3.2547 -3.2547 3.6337 3.6337 3.8425 3.8425 4.0219 4.0219 4.4023 4.4023 4.6626 4.6626 4.9882 4.9882 5.0148 5.0148 5.4071 5.4071 5.5027 5.5027 5.5597 5.5597 5.8881 5.8881 6.1782 6.1782 6.2954 6.2954 6.7388 6.7388 7.1727 7.1727 7.5925 7.5925 7.6096 7.6096 8.2231 8.2231 10.7138 10.7138 10.7435 10.7435 11.9282 11.9282 12.0153 12.0153 12.1591 12.1591 k = 0.1921 0.3327-0.0000 ( 5836 PWs) bands (ev): -4.9619 -4.9619 -4.8177 -4.8177 -4.5493 -4.5493 -4.4383 -4.4383 -3.3373 -3.3373 -3.2604 -3.2604 3.6064 3.6064 3.8225 3.8225 4.0320 4.0320 4.4818 4.4818 4.6495 4.6495 4.9452 4.9452 5.0207 5.0207 5.4501 5.4501 5.4644 5.4644 5.5290 5.5290 5.8824 5.8824 6.1498 6.1498 6.2844 6.2844 6.7263 6.7263 7.2094 7.2094 7.6016 7.6016 7.6463 7.6463 8.2287 8.2287 10.7440 10.7440 10.7696 10.7696 11.9086 11.9086 12.0420 12.0420 12.2259 12.2259 k = 0.1864 0.3229-0.0000 ( 5836 PWs) bands (ev): -4.9978 -4.9978 -4.8431 -4.8431 -4.5723 -4.5723 -4.4496 -4.4496 -3.3445 -3.3445 -3.2657 -3.2657 3.5826 3.5826 3.8057 3.8057 4.0422 4.0422 4.5611 4.5611 4.6379 4.6379 4.9054 4.9054 5.0201 5.0201 5.4193 5.4193 5.4879 5.4879 5.5169 5.5169 5.8669 5.8669 6.1054 6.1054 6.2817 6.2817 6.7261 6.7261 7.2436 7.2436 7.6101 7.6101 7.6895 7.6895 8.2334 8.2334 10.7669 10.7669 10.7901 10.7901 11.8845 11.8845 12.0700 12.0700 12.2771 12.2774 k = 0.1808 0.3131-0.0000 ( 5838 PWs) bands (ev): -5.0344 -5.0344 -4.8689 -4.8689 -4.5966 -4.5966 -4.4616 -4.4616 -3.3507 -3.3507 -3.2705 -3.2705 3.5624 3.5624 3.7920 3.7920 4.0526 4.0526 4.6233 4.6233 4.6403 4.6403 4.8729 4.8729 5.0135 5.0135 5.3810 5.3810 5.4554 5.4554 5.5746 5.5746 5.8423 5.8423 6.0519 6.0519 6.2813 6.2813 6.7379 6.7379 7.2749 7.2749 7.6197 7.6197 7.7367 7.7367 8.2371 8.2371 10.7818 10.7818 10.8076 10.8076 11.8572 11.8572 12.0966 12.0966 12.2941 12.2942 k = 0.1751 0.3034-0.0000 ( 5828 PWs) bands (ev): -5.0714 -5.0714 -4.8950 -4.8950 -4.6221 -4.6221 -4.4742 -4.4742 -3.3560 -3.3560 -3.2749 -3.2749 3.5458 3.5458 3.7816 3.7816 4.0633 4.0633 4.6166 4.6166 4.6939 4.6939 4.8618 4.8618 5.0013 5.0013 5.3450 5.3450 5.4174 5.4174 5.6420 5.6420 5.8102 5.8102 5.9934 5.9934 6.2802 6.2802 6.7605 6.7605 7.3031 7.3031 7.6309 7.6309 7.7868 7.7868 8.2400 8.2400 10.7895 10.7895 10.8233 10.8233 11.8277 11.8277 12.1194 12.1194 12.2765 12.2765 k = 0.1695 0.2936-0.0000 ( 5830 PWs) bands (ev): -5.1088 -5.1088 -4.9214 -4.9214 -4.6487 -4.6487 -4.4873 -4.4873 -3.3604 -3.3604 -3.2789 -3.2789 3.5329 3.5329 3.7745 3.7745 4.0743 4.0743 4.6085 4.6085 4.7063 4.7063 4.8962 4.8962 4.9840 4.9840 5.3117 5.3117 5.3773 5.3773 5.7146 5.7146 5.7734 5.7734 5.9319 5.9319 6.2769 6.2769 6.7925 6.7925 7.3281 7.3281 7.6437 7.6437 7.8391 7.8391 8.2420 8.2420 10.7920 10.7920 10.8370 10.8370 11.7965 11.7965 12.1364 12.1364 12.2554 12.2554 k = 0.1638 0.2838-0.0000 ( 5830 PWs) bands (ev): -5.1465 -5.1465 -4.9480 -4.9480 -4.6761 -4.6761 -4.5010 -4.5010 -3.3638 -3.3638 -3.2824 -3.2824 3.5236 3.5236 3.7707 3.7707 4.0858 4.0858 4.6011 4.6011 4.6856 4.6856 4.9555 4.9555 4.9707 4.9707 5.2813 5.2813 5.3360 5.3360 5.7329 5.7329 5.7932 5.7932 5.8688 5.8688 6.2710 6.2710 6.8320 6.8320 7.3496 7.3496 7.6580 7.6580 7.8932 7.8932 8.2432 8.2432 10.7912 10.7912 10.8486 10.8486 11.7641 11.7641 12.1466 12.1466 12.2330 12.2330 k = 0.1582 0.2740-0.0000 ( 5831 PWs) bands (ev): -5.1842 -5.1842 -4.9748 -4.9748 -4.7043 -4.7043 -4.5151 -4.5151 -3.3665 -3.3665 -3.2856 -3.2856 3.5180 3.5180 3.7701 3.7701 4.0979 4.0979 4.5944 4.5944 4.6548 4.6548 4.9339 4.9339 5.0422 5.0422 5.2536 5.2536 5.2941 5.2941 5.6963 5.6963 5.8028 5.8028 5.8759 5.8759 6.2620 6.2620 6.8777 6.8777 7.3675 7.3675 7.6741 7.6741 7.9485 7.9485 8.2437 8.2437 10.7886 10.7886 10.8582 10.8582 11.7310 11.7310 12.1494 12.1494 12.2103 12.2103 k = 0.1525 0.2642-0.0000 ( 5833 PWs) bands (ev): -5.2220 -5.2220 -5.0016 -5.0016 -4.7331 -4.7331 -4.5297 -4.5297 -3.3683 -3.3683 -3.2884 -3.2884 3.5162 3.5162 3.7727 3.7727 4.1104 4.1104 4.5878 4.5878 4.6223 4.6223 4.9038 4.9038 5.1143 5.1143 5.2272 5.2272 5.2531 5.2531 5.6675 5.6675 5.7383 5.7383 5.9606 5.9606 6.2497 6.2497 6.9283 6.9283 7.3815 7.3815 7.6917 7.6917 8.0046 8.0046 8.2435 8.2435 10.7852 10.7852 10.8659 10.8659 11.6973 11.6973 12.1448 12.1448 12.1887 12.1887 k = 0.1469 0.2544-0.0000 ( 5841 PWs) bands (ev): -5.2596 -5.2596 -5.0284 -5.0284 -4.7624 -4.7624 -4.5446 -4.5446 -3.3695 -3.3695 -3.2909 -3.2909 3.5180 3.5180 3.7784 3.7784 4.1235 4.1235 4.5764 4.5764 4.5953 4.5953 4.8707 4.8707 5.1717 5.1717 5.1967 5.1967 5.2188 5.2188 5.6553 5.6553 5.6734 5.6734 6.0487 6.0487 6.2339 6.2339 6.9826 6.9826 7.3915 7.3915 7.7110 7.7110 8.0613 8.0613 8.2427 8.2427 10.7820 10.7820 10.8720 10.8720 11.6635 11.6635 12.1331 12.1331 12.1687 12.1687 k = 0.1412 0.2446-0.0000 ( 5841 PWs) bands (ev): -5.2970 -5.2970 -5.0551 -5.0551 -4.7920 -4.7920 -4.5599 -4.5599 -3.3700 -3.3700 -3.2931 -3.2931 3.5234 3.5234 3.7872 3.7872 4.1373 4.1373 4.5496 4.5496 4.5851 4.5851 4.8353 4.8353 5.1561 5.1561 5.1947 5.1947 5.2062 5.2062 5.6089 5.6089 5.6705 5.6705 6.1393 6.1393 6.2148 6.2148 7.0400 7.0400 7.3973 7.3973 7.7319 7.7319 8.1183 8.1183 8.2416 8.2416 10.7796 10.7796 10.8766 10.8766 11.6297 11.6297 12.1159 12.1159 12.1499 12.1499 k = 0.1356 0.2349-0.0000 ( 5841 PWs) bands (ev): -5.3340 -5.3340 -5.0816 -5.0816 -4.8217 -4.8217 -4.5753 -4.5753 -3.3699 -3.3699 -3.2950 -3.2950 3.5326 3.5326 3.7990 3.7990 4.1516 4.1516 4.5190 4.5190 4.5807 4.5807 4.7984 4.7984 5.1136 5.1136 5.1766 5.1766 5.2090 5.2090 5.5453 5.5453 5.7173 5.7173 6.1904 6.1904 6.2339 6.2339 7.0997 7.0997 7.3989 7.3989 7.7543 7.7543 8.1748 8.1748 8.2406 8.2406 10.7785 10.7785 10.8799 10.8799 11.5960 11.5960 12.0948 12.0948 12.1313 12.1313 k = 0.1299 0.2251-0.0000 ( 5841 PWs) bands (ev): -5.3705 -5.3705 -5.1079 -5.1079 -4.8514 -4.8514 -4.5910 -4.5910 -3.3693 -3.3693 -3.2966 -3.2966 3.5453 3.5453 3.8137 3.8137 4.1664 4.1664 4.4890 4.4890 4.5776 4.5776 4.7607 4.7607 5.0706 5.0706 5.1604 5.1604 5.1888 5.1888 5.4828 5.4828 5.7902 5.7902 6.1644 6.1644 6.3284 6.3284 7.1610 7.1610 7.3961 7.3961 7.7783 7.7783 8.2244 8.2244 8.2461 8.2461 10.7792 10.7792 10.8819 10.8819 11.5627 11.5627 12.0679 12.0680 12.1043 12.1053 k = 0.1243 0.2153-0.0000 ( 5833 PWs) bands (ev): -5.4063 -5.4063 -5.1338 -5.1338 -4.8809 -4.8809 -4.6067 -4.6067 -3.3682 -3.3682 -3.2980 -3.2980 3.5616 3.5616 3.8311 3.8311 4.1819 4.1819 4.4604 4.4604 4.5751 4.5751 4.7226 4.7226 5.0282 5.0282 5.1452 5.1452 5.1546 5.1546 5.4217 5.4217 5.8801 5.8801 6.1341 6.1341 6.4251 6.4251 7.2235 7.2235 7.3892 7.3892 7.8036 7.8036 8.2320 8.2320 8.2932 8.2932 10.7819 10.7819 10.8829 10.8829 11.5299 11.5299 12.0231 12.0231 12.0670 12.0672 k = 0.1186 0.2055-0.0000 ( 5837 PWs) bands (ev): -5.4414 -5.4414 -5.1593 -5.1593 -4.9102 -4.9102 -4.6224 -4.6224 -3.3668 -3.3668 -3.2992 -3.2992 3.5814 3.5814 3.8511 3.8511 4.1978 4.1978 4.4334 4.4334 4.5728 4.5728 4.6848 4.6848 4.9866 4.9866 5.1111 5.1111 5.1329 5.1329 5.3622 5.3622 5.9801 5.9801 6.1003 6.1003 6.5232 6.5232 7.2863 7.2863 7.3785 7.3785 7.8302 7.8302 8.2302 8.2302 8.3492 8.3492 10.7869 10.7869 10.8829 10.8829 11.4977 11.4977 11.9630 11.9630 12.0405 12.0406 k = 0.1130 0.1957-0.0000 ( 5831 PWs) bands (ev): -5.4757 -5.4757 -5.1843 -5.1843 -4.9389 -4.9389 -4.6381 -4.6381 -3.3651 -3.3651 -3.3002 -3.3002 3.6047 3.6047 3.8736 3.8736 4.2141 4.2141 4.4080 4.4080 4.5703 4.5703 4.6478 4.6478 4.9463 4.9463 5.0652 5.0652 5.1201 5.1201 5.3045 5.3045 6.0604 6.0604 6.0889 6.0889 6.6222 6.6222 7.3429 7.3429 7.3702 7.3702 7.8580 7.8580 8.2278 8.2278 8.4054 8.4054 10.7943 10.7943 10.8820 10.8820 11.4663 11.4663 11.8971 11.8971 11.9729 11.9729 k = 0.1073 0.1859-0.0000 ( 5841 PWs) bands (ev): -5.5090 -5.5090 -5.2087 -5.2087 -4.9672 -4.9672 -4.6537 -4.6537 -3.3631 -3.3631 -3.3010 -3.3010 3.6312 3.6312 3.8983 3.8983 4.2307 4.2307 4.3843 4.3843 4.5665 4.5665 4.6130 4.6130 4.9075 4.9075 5.0177 5.0177 5.1084 5.1084 5.2489 5.2489 6.0208 6.0208 6.1980 6.1980 6.7218 6.7218 7.3390 7.3390 7.4183 7.4183 7.8868 7.8868 8.2253 8.2253 8.4613 8.4613 10.8039 10.8039 10.8803 10.8803 11.4357 11.4357 11.8280 11.8280 11.8854 11.8854 k = 0.1017 0.1761-0.0000 ( 5845 PWs) bands (ev): -5.5412 -5.5412 -5.2324 -5.2324 -4.9947 -4.9947 -4.6690 -4.6690 -3.3609 -3.3609 -3.3017 -3.3017 3.6611 3.6611 3.9250 3.9250 4.2474 4.2474 4.3624 4.3624 4.5564 4.5564 4.5853 4.5853 4.8707 4.8707 4.9701 4.9701 5.0973 5.0973 5.1954 5.1954 5.9764 5.9764 6.3111 6.3111 6.8216 6.8216 7.3166 7.3166 7.4807 7.4807 7.9165 7.9165 8.2230 8.2230 8.5166 8.5166 10.8156 10.8156 10.8781 10.8781 11.4060 11.4060 11.7566 11.7566 11.7985 11.7985 k = 0.0960 0.1664-0.0000 ( 5849 PWs) bands (ev): -5.5723 -5.5723 -5.2554 -5.2554 -5.0214 -5.0214 -4.6841 -4.6841 -3.3586 -3.3586 -3.3022 -3.3022 3.6941 3.6941 3.9535 3.9535 4.2641 4.2641 4.3422 4.3422 4.5316 4.5316 4.5734 4.5734 4.8361 4.8361 4.9232 4.9232 5.0868 5.0868 5.1443 5.1443 5.9287 5.9287 6.4258 6.4258 6.9213 6.9213 7.2900 7.2900 7.5430 7.5430 7.9467 7.9467 8.2211 8.2211 8.5710 8.5710 10.8290 10.8290 10.8757 10.8757 11.3772 11.3772 11.6830 11.6830 11.7131 11.7131 k = 0.0904 0.1566-0.0000 ( 5841 PWs) bands (ev): -5.6021 -5.6021 -5.2775 -5.2775 -5.0471 -5.0471 -4.6988 -4.6988 -3.3561 -3.3561 -3.3027 -3.3027 3.7301 3.7301 3.9835 3.9835 4.2800 4.2800 4.3239 4.3239 4.5012 4.5012 4.5679 4.5679 4.8043 4.8043 4.8777 4.8777 5.0760 5.0760 5.0965 5.0965 5.8780 5.8780 6.5414 6.5414 7.0204 7.0204 7.2601 7.2601 7.6040 7.6040 7.9774 7.9774 8.2199 8.2199 8.6245 8.6245 10.8425 10.8425 10.8746 10.8746 11.3495 11.3495 11.6071 11.6071 11.6305 11.6305 k = 0.0847 0.1468-0.0000 ( 5849 PWs) bands (ev): -5.6305 -5.6305 -5.2988 -5.2988 -5.0719 -5.0719 -4.7130 -4.7130 -3.3537 -3.3537 -3.3031 -3.3031 3.7691 3.7691 4.0147 4.0147 4.2929 4.2929 4.3095 4.3095 4.4717 4.4717 4.5628 4.5628 4.7757 4.7757 4.8340 4.8340 5.0470 5.0470 5.0700 5.0700 5.8245 5.8245 6.6571 6.6571 7.1185 7.1185 7.2274 7.2274 7.6631 7.6631 8.0082 8.0082 8.2196 8.2196 8.6769 8.6769 10.8514 10.8514 10.8793 10.8793 11.3229 11.3229 11.5292 11.5292 11.5514 11.5514 k = 0.0791 0.1370-0.0000 ( 5845 PWs) bands (ev): -5.6576 -5.6576 -5.3190 -5.3190 -5.0954 -5.0954 -4.7267 -4.7267 -3.3512 -3.3512 -3.3034 -3.3034 3.8107 3.8107 4.0467 4.0467 4.2878 4.2878 4.3129 4.3129 4.4451 4.4451 4.5566 4.5566 4.7509 4.7509 4.7923 4.7923 5.0041 5.0041 5.0605 5.0605 5.7685 5.7685 6.7724 6.7724 7.1923 7.1923 7.2153 7.2153 7.7196 7.7196 8.0388 8.0388 8.2206 8.2206 8.7279 8.7279 10.8515 10.8515 10.8936 10.8936 11.2972 11.2972 11.4507 11.4507 11.4753 11.4753 k = 0.0734 0.1272-0.0000 ( 5845 PWs) bands (ev): -5.6831 -5.6831 -5.3382 -5.3382 -5.1178 -5.1178 -4.7399 -4.7399 -3.3487 -3.3487 -3.3036 -3.3036 3.8549 3.8549 4.0792 4.0792 4.2748 4.2748 4.3220 4.3220 4.4235 4.4235 4.5485 4.5485 4.7301 4.7301 4.7530 4.7530 4.9633 4.9633 5.0523 5.0523 5.7102 5.7102 6.8865 6.8865 7.1559 7.1559 7.3098 7.3098 7.7730 7.7730 8.0688 8.0688 8.2232 8.2232 8.7772 8.7772 10.8474 10.8474 10.9127 10.9127 11.2723 11.2723 11.3737 11.3737 11.4011 11.4011 k = 0.0678 0.1174-0.0000 ( 5841 PWs) bands (ev): -5.7070 -5.7070 -5.3562 -5.3562 -5.1388 -5.1388 -4.7524 -4.7524 -3.3463 -3.3463 -3.3038 -3.3038 3.9015 3.9015 4.1116 4.1116 4.2626 4.2626 4.3245 4.3245 4.4106 4.4106 4.5384 4.5384 4.7116 4.7116 4.7182 4.7182 4.9250 4.9250 5.0446 5.0446 5.6501 5.6501 6.9985 6.9985 7.1186 7.1186 7.4019 7.4019 7.8224 7.8224 8.0978 8.0978 8.2279 8.2279 8.8247 8.8247 10.8417 10.8417 10.9337 10.9337 11.2467 11.2467 11.3007 11.3007 11.3290 11.3290 k = 0.0621 0.1076-0.0000 ( 5851 PWs) bands (ev): -5.7292 -5.7292 -5.3731 -5.3731 -5.1585 -5.1585 -4.7641 -4.7641 -3.3440 -3.3440 -3.3039 -3.3039 3.9501 3.9501 4.1435 4.1435 4.2517 4.2517 4.3173 4.3173 4.4090 4.4090 4.5264 4.5264 4.6805 4.6805 4.7031 4.7031 4.8896 4.8896 5.0375 5.0375 5.5884 5.5884 7.0750 7.0750 7.1138 7.1138 7.4907 7.4907 7.8671 7.8671 8.1253 8.1253 8.2351 8.2351 8.8701 8.8701 10.8352 10.8352 10.9552 10.9552 11.2100 11.2100 11.2411 11.2411 11.2609 11.2609 k = 0.0565 0.0979-0.0000 ( 5855 PWs) bands (ev): -5.7498 -5.7498 -5.3887 -5.3887 -5.1767 -5.1767 -4.7750 -4.7750 -3.3419 -3.3419 -3.3040 -3.3040 4.0006 4.0006 4.1741 4.1741 4.2425 4.2425 4.3034 4.3034 4.4157 4.4157 4.5130 4.5130 4.6490 4.6490 4.6950 4.6950 4.8571 4.8571 5.0310 5.0310 5.5256 5.5256 7.0397 7.0397 7.2178 7.2178 7.5758 7.5758 7.9066 7.9066 8.1510 8.1510 8.2451 8.2451 8.9131 8.9131 10.8282 10.8282 10.9763 10.9763 11.1503 11.1503 11.1853 11.1853 11.2198 11.2198 k = 0.0508 0.0881-0.0000 ( 5859 PWs) bands (ev): -5.7685 -5.7685 -5.4030 -5.4030 -5.1933 -5.1933 -4.7851 -4.7851 -3.3398 -3.3398 -3.3041 -3.3041 4.0525 4.0525 4.2010 4.2010 4.2364 4.2364 4.2875 4.2875 4.4260 4.4260 4.4988 4.4988 4.6201 4.6201 4.6901 4.6901 4.8275 4.8275 5.0250 5.0250 5.4622 5.4622 7.0024 7.0024 7.3207 7.3207 7.6563 7.6563 7.9405 7.9405 8.1744 8.1744 8.2578 8.2578 8.9534 8.9534 10.8209 10.8209 10.9949 10.9949 11.0896 11.0896 11.1209 11.1209 11.1987 11.1987 k = 0.0452 0.0783-0.0000 ( 5851 PWs) bands (ev): -5.7855 -5.7855 -5.4160 -5.4160 -5.2084 -5.2084 -4.7943 -4.7943 -3.3379 -3.3379 -3.3041 -3.3041 4.1053 4.1053 4.2149 4.2149 4.2406 4.2406 4.2736 4.2736 4.4374 4.4374 4.4848 4.4848 4.5940 4.5940 4.6878 4.6878 4.8009 4.8009 5.0195 5.0195 5.3986 5.3986 6.9662 6.9662 7.4188 7.4188 7.7313 7.7313 7.9688 7.9688 8.1956 8.1956 8.2725 8.2725 8.9906 8.9906 10.8135 10.8135 10.9994 10.9994 11.0440 11.0440 11.0605 11.0605 11.1815 11.1815 k = 0.0395 0.0685-0.0000 ( 5847 PWs) bands (ev): -5.8005 -5.8005 -5.4275 -5.4275 -5.2218 -5.2218 -4.8026 -4.8026 -3.3362 -3.3362 -3.3042 -3.3042 4.1586 4.1586 4.2131 4.2131 4.2456 4.2456 4.2747 4.2747 4.4484 4.4484 4.4718 4.4718 4.5709 4.5709 4.6872 4.6872 4.7774 4.7774 5.0146 5.0146 5.3357 5.3357 6.9320 6.9320 7.5110 7.5110 7.8000 7.8000 7.9923 7.9923 8.2144 8.2144 8.2880 8.2880 9.0244 9.0244 10.8060 10.8060 10.9617 10.9617 10.9994 10.9994 11.0484 11.0484 11.1668 11.1668 k = 0.0339 0.0587-0.0000 ( 5843 PWs) bands (ev): -5.8136 -5.8136 -5.4376 -5.4376 -5.2335 -5.2335 -4.8098 -4.8098 -3.3347 -3.3347 -3.3042 -3.3042 4.2086 4.2086 4.2115 4.2115 4.2359 4.2359 4.2932 4.2932 4.4547 4.4547 4.4637 4.4637 4.5508 4.5508 4.6879 4.6879 4.7570 4.7570 5.0103 5.0103 5.2744 5.2744 6.9006 6.9006 7.5958 7.5958 7.8613 7.8613 8.0119 8.0119 8.2308 8.2308 8.3031 8.3031 9.0545 9.0545 10.7986 10.7986 10.9147 10.9147 10.9473 10.9473 11.0617 11.0617 11.1544 11.1544 k = 0.0282 0.0489-0.0000 ( 5843 PWs) bands (ev): -5.8248 -5.8248 -5.4462 -5.4462 -5.2434 -5.2434 -4.8160 -4.8160 -3.3335 -3.3335 -3.3042 -3.3042 4.2043 4.2043 4.2248 4.2248 4.2630 4.2630 4.3125 4.3125 4.4467 4.4467 4.4702 4.4702 4.5338 4.5338 4.6892 4.6892 4.7397 4.7397 5.0066 5.0066 5.2157 5.2157 6.8727 6.8727 7.6718 7.6718 7.9138 7.9138 8.0293 8.0293 8.2445 8.2445 8.3166 8.3166 9.0806 9.0806 10.7914 10.7914 10.8720 10.8720 10.9013 10.9013 11.0744 11.0744 11.1446 11.1446 k = 0.0226 0.0391-0.0000 ( 5847 PWs) bands (ev): -5.8340 -5.8340 -5.4532 -5.4532 -5.2517 -5.2517 -4.8211 -4.8211 -3.3324 -3.3324 -3.3042 -3.3042 4.2004 4.2004 4.2155 4.2155 4.3113 4.3113 4.3293 4.3293 4.4379 4.4379 4.4776 4.4776 4.5200 4.5200 4.6906 4.6906 4.7258 4.7258 5.0035 5.0035 5.1613 5.1613 6.8488 6.8488 7.7370 7.7370 7.9562 7.9562 8.0460 8.0460 8.2550 8.2550 8.3278 8.3278 9.1025 9.1025 10.7839 10.7839 10.8362 10.8362 10.8625 10.8625 11.0844 11.0844 11.1376 11.1376 k = 0.0169 0.0294-0.0000 ( 5843 PWs) bands (ev): -5.8412 -5.8412 -5.4588 -5.4588 -5.2581 -5.2581 -4.8251 -4.8251 -3.3315 -3.3315 -3.3042 -3.3042 4.1970 4.1970 4.2085 4.2085 4.3427 4.3427 4.3545 4.3545 4.4308 4.4308 4.4832 4.4832 4.5098 4.5098 4.6916 4.6916 4.7154 4.7154 5.0012 5.0012 5.1135 5.1135 6.8295 6.8295 7.7896 7.7896 7.9875 7.9875 8.0630 8.0630 8.2624 8.2624 8.3362 8.3362 9.1197 9.1197 10.7749 10.7749 10.8096 10.8096 10.8319 10.8319 11.0909 11.0909 11.1338 11.1338 k = 0.0113 0.0196-0.0000 ( 5843 PWs) bands (ev): -5.8463 -5.8463 -5.4627 -5.4627 -5.2627 -5.2627 -4.8280 -4.8280 -3.3309 -3.3309 -3.3043 -3.3043 4.1942 4.1942 4.2038 4.2038 4.3525 4.3525 4.3893 4.3893 4.4258 4.4258 4.4863 4.4863 4.5035 4.5035 4.6914 4.6914 4.7090 4.7090 4.9996 4.9996 5.0752 5.0752 6.8154 6.8154 7.8279 7.8279 8.0084 8.0084 8.0787 8.0787 8.2666 8.2666 8.3420 8.3420 9.1322 9.1322 10.7635 10.7635 10.7942 10.7942 10.8101 10.8101 11.0939 11.0939 11.1328 11.1328 k = 0.0056 0.0098-0.0000 ( 5839 PWs) bands (ev): -5.8494 -5.8494 -5.4651 -5.4651 -5.2654 -5.2654 -4.8297 -4.8297 -3.3306 -3.3306 -3.3043 -3.3043 4.1922 4.1922 4.2012 4.2012 4.3584 4.3584 4.4116 4.4116 4.4237 4.4237 4.4869 4.4869 4.5010 4.5010 4.6902 4.6902 4.7061 4.7061 4.9988 4.9988 5.0499 5.0499 6.8068 6.8068 7.8510 7.8510 8.0204 8.0204 8.0901 8.0901 8.2686 8.2686 8.3454 8.3454 9.1398 9.1398 10.7537 10.7537 10.7870 10.7870 10.7974 10.7974 11.0948 11.0948 11.1331 11.1331 k = 0.0000 0.0000 0.0000 ( 5857 PWs) bands (ev): -5.8504 -5.8504 -5.4659 -5.4659 -5.2664 -5.2664 -4.8303 -4.8303 -3.3305 -3.3305 -3.3043 -3.3043 4.1915 4.1915 4.2004 4.2004 4.3604 4.3604 4.4174 4.4174 4.4252 4.4252 4.4867 4.4867 4.5005 4.5005 4.6896 4.6896 4.7055 4.7055 4.9986 4.9986 5.0409 5.0409 6.8039 6.8039 7.8587 7.8587 8.0243 8.0243 8.0942 8.0942 8.2691 8.2691 8.3464 8.3464 9.1423 9.1423 10.7499 10.7499 10.7847 10.7847 10.7936 10.7936 11.0949 11.0949 11.1333 11.1333 k = 0.0000 0.0000 0.0000 ( 5857 PWs) bands (ev): -5.8504 -5.8504 -5.4659 -5.4659 -5.2664 -5.2664 -4.8303 -4.8303 -3.3305 -3.3305 -3.3043 -3.3043 4.1915 4.1915 4.2004 4.2004 4.3604 4.3604 4.4174 4.4174 4.4252 4.4252 4.4867 4.4867 4.5005 4.5005 4.6896 4.6896 4.7055 4.7055 4.9986 4.9986 5.0409 5.0409 6.8039 6.8039 7.8587 7.8587 8.0243 8.0243 8.0942 8.0942 8.2691 8.2691 8.3464 8.3464 9.1423 9.1423 10.7499 10.7499 10.7847 10.7847 10.7936 10.7936 11.0949 11.0949 11.1333 11.1333 k = 0.0000 0.0000 0.0108 ( 5839 PWs) bands (ev): -5.8496 -5.8496 -5.4703 -5.4703 -5.2618 -5.2618 -4.8313 -4.8313 -3.3304 -3.3304 -3.3044 -3.3044 4.1920 4.1920 4.2009 4.2009 4.3611 4.3611 4.4146 4.4146 4.4218 4.4218 4.4900 4.4900 4.5032 4.5032 4.6892 4.6892 4.7050 4.7050 4.9589 4.9589 5.0834 5.0834 6.7949 6.7949 7.8671 7.8671 8.0252 8.0252 8.0951 8.0951 8.2682 8.2682 8.3455 8.3455 9.1384 9.1384 10.7510 10.7510 10.7862 10.7862 10.7946 10.7946 11.0934 11.0934 11.1318 11.1318 k = 0.0000 0.0000 0.0217 ( 5845 PWs) bands (ev): -5.8472 -5.8472 -5.4822 -5.4822 -5.2493 -5.2493 -4.8343 -4.8343 -3.3301 -3.3301 -3.3046 -3.3046 4.1935 4.1935 4.2023 4.2023 4.3633 4.3633 4.4073 4.4073 4.4133 4.4133 4.4982 4.4982 4.5103 4.5103 4.6880 4.6880 4.7038 4.7038 4.9064 4.9064 5.1443 5.1443 6.7689 6.7689 7.8916 7.8916 8.0277 8.0277 8.0977 8.0977 8.2654 8.2654 8.3425 8.3425 9.1268 9.1268 10.7540 10.7540 10.7907 10.7907 10.7977 10.7977 11.0890 11.0890 11.1272 11.1272 k = 0.0000 0.0000 0.0325 ( 5869 PWs) bands (ev): -5.8432 -5.8432 -5.4996 -5.4996 -5.2310 -5.2310 -4.8392 -4.8392 -3.3296 -3.3296 -3.3051 -3.3051 4.1960 4.1960 4.2047 4.2047 4.3669 4.3669 4.3970 4.3970 4.4021 4.4021 4.5090 4.5090 4.5201 4.5201 4.6860 4.6860 4.7017 4.7017 4.8556 4.8556 5.2089 5.2089 6.7279 6.7279 7.9298 7.9298 8.0318 8.0318 8.1020 8.1020 8.2609 8.2609 8.3377 8.3377 9.1075 9.1075 10.7591 10.7591 10.7982 10.7982 10.8028 10.8028 11.0818 11.0818 11.1197 11.1197 k = 0.0000 0.0000 0.0433 ( 5869 PWs) bands (ev): -5.8375 -5.8375 -5.5202 -5.5202 -5.2091 -5.2091 -4.8461 -4.8461 -3.3290 -3.3290 -3.3058 -3.3058 4.1994 4.1994 4.2080 4.2080 4.3719 4.3719 4.3850 4.3850 4.3896 4.3896 4.5209 4.5209 4.5315 4.5315 4.6832 4.6832 4.6988 4.6988 4.8075 4.8075 5.2765 5.2765 6.6748 6.6748 7.9790 7.9790 8.0375 8.0375 8.1079 8.1079 8.2548 8.2548 8.3311 8.3311 9.0811 9.0811 10.7661 10.7661 10.8085 10.8085 10.8099 10.8099 11.0719 11.0719 11.1096 11.1096 k = 0.0000 0.0000 0.0542 ( 5869 PWs) bands (ev): -5.8304 -5.8304 -5.5426 -5.5426 -5.1851 -5.1851 -4.8549 -4.8549 -3.3282 -3.3282 -3.3066 -3.3066 4.2038 4.2038 4.2123 4.2123 4.3722 4.3722 4.3765 4.3765 4.3786 4.3786 4.5333 4.5333 4.5436 4.5436 4.6796 4.6796 4.6950 4.6950 4.7621 4.7621 5.3466 5.3466 6.6125 6.6125 8.0364 8.0364 8.0448 8.0448 8.1154 8.1154 8.2472 8.2472 8.3228 8.3228 9.0478 9.0478 10.7750 10.7750 10.8189 10.8189 10.8214 10.8214 11.0598 11.0598 11.0969 11.0969 k = 0.0000 0.0000 0.0650 ( 5875 PWs) bands (ev): -5.8216 -5.8216 -5.5659 -5.5659 -5.1599 -5.1599 -4.8656 -4.8656 -3.3272 -3.3272 -3.3076 -3.3076 4.2091 4.2091 4.2174 4.2174 4.3589 4.3589 4.3632 4.3632 4.3868 4.3868 4.5457 4.5457 4.5558 4.5558 4.6752 4.6752 4.6905 4.6905 4.7196 4.7196 5.4191 5.4191 6.5431 6.5431 8.0534 8.0534 8.0992 8.0992 8.1244 8.1244 8.2386 8.2386 8.3130 8.3130 9.0082 9.0082 10.7857 10.7857 10.8298 10.8298 10.8368 10.8368 11.0458 11.0458 11.0821 11.0821 k = 0.0000 0.0000 0.0758 ( 5892 PWs) bands (ev): -5.8114 -5.8114 -5.5895 -5.5895 -5.1341 -5.1341 -4.8781 -4.8781 -3.3261 -3.3261 -3.3087 -3.3087 4.2154 4.2154 4.2234 4.2234 4.3455 4.3455 4.3499 4.3499 4.3966 4.3966 4.5581 4.5581 4.5680 4.5680 4.6701 4.6701 4.6800 4.6800 4.6851 4.6851 5.4938 5.4938 6.4686 6.4686 8.0634 8.0634 8.1347 8.1347 8.1638 8.1638 8.2309 8.2309 8.3018 8.3018 8.9628 8.9628 10.7981 10.7981 10.8424 10.8424 10.8542 10.8542 11.0304 11.0304 11.0655 11.0655 k = 0.0000 0.0000 0.0867 ( 5886 PWs) bands (ev): -5.7996 -5.7996 -5.6129 -5.6129 -5.1082 -5.1082 -4.8923 -4.8923 -3.3249 -3.3249 -3.3100 -3.3100 4.2225 4.2225 4.2303 4.2303 4.3321 4.3321 4.3367 4.3367 4.4083 4.4083 4.5702 4.5702 4.5796 4.5796 4.6437 4.6437 4.6642 4.6642 4.6790 4.6790 5.5705 5.5705 6.3905 6.3905 8.0745 8.0745 8.1463 8.1463 8.2034 8.2034 8.2498 8.2498 8.2894 8.2894 8.9121 8.9121 10.8121 10.8121 10.8566 10.8566 10.8732 10.8732 11.0142 11.0142 11.0474 11.0474 k = 0.0000 0.0000 0.0975 ( 5874 PWs) bands (ev): -5.7864 -5.7864 -5.6359 -5.6359 -5.0826 -5.0826 -4.9081 -4.9081 -3.3235 -3.3235 -3.3113 -3.3113 4.2305 4.2305 4.2380 4.2380 4.3189 4.3189 4.3238 4.3238 4.4217 4.4217 4.5820 4.5820 4.5880 4.5880 4.6131 4.6131 4.6576 4.6576 4.6722 4.6722 5.6490 5.6490 6.3098 6.3098 8.0867 8.0867 8.1589 8.1589 8.1971 8.1971 8.2759 8.2759 8.3153 8.3153 8.8568 8.8568 10.8274 10.8274 10.8724 10.8724 10.8928 10.8928 10.9985 10.9985 11.0282 11.0282 k = 0.0000 0.0000 0.1084 ( 5862 PWs) bands (ev): -5.7718 -5.7718 -5.6583 -5.6583 -5.0574 -5.0574 -4.9256 -4.9256 -3.3221 -3.3221 -3.3128 -3.3128 4.2392 4.2392 4.2464 4.2464 4.3060 4.3060 4.3112 4.3112 4.4370 4.4370 4.5727 4.5727 4.5933 4.5933 4.6083 4.6083 4.6503 4.6503 4.6646 4.6646 5.7291 5.7291 6.2274 6.2274 8.0997 8.0997 8.1725 8.1725 8.1847 8.1847 8.2618 8.2618 8.3866 8.3866 8.7974 8.7974 10.8438 10.8438 10.8895 10.8895 10.9100 10.9100 10.9864 10.9864 11.0082 11.0082 k = 0.0000 0.0000 0.1192 ( 5874 PWs) bands (ev): -5.7558 -5.7558 -5.6799 -5.6799 -5.0328 -5.0328 -4.9445 -4.9445 -3.3206 -3.3206 -3.3143 -3.3143 4.2488 4.2488 4.2557 4.2557 4.2935 4.2935 4.2990 4.2990 4.4544 4.4544 4.5454 4.5454 4.6042 4.6042 4.6178 4.6178 4.6423 4.6423 4.6564 4.6564 5.8106 5.8106 6.1440 6.1440 8.1134 8.1134 8.1709 8.1709 8.1867 8.1867 8.2470 8.2470 8.4586 8.4586 8.7345 8.7345 10.8611 10.8611 10.9077 10.9077 10.9176 10.9176 10.9854 10.9854 10.9877 10.9877 k = 0.0000 0.0000 0.1300 ( 5886 PWs) bands (ev): -5.7386 -5.7386 -5.7005 -5.7005 -5.0091 -5.0091 -4.9648 -4.9648 -3.3190 -3.3190 -3.3159 -3.3159 4.2590 4.2590 4.2656 4.2656 4.2815 4.2815 4.2873 4.2873 4.4739 4.4739 4.5194 4.5194 4.6146 4.6146 4.6280 4.6280 4.6337 4.6337 4.6475 4.6475 5.8931 5.8931 6.0602 6.0602 8.1276 8.1276 8.1566 8.1566 8.2015 8.2015 8.2319 8.2319 8.5300 8.5300 8.6686 8.6686 10.8788 10.8788 10.9107 10.9107 10.9269 10.9269 10.9672 10.9672 11.0005 11.0005 k = 0.0000 0.0000 0.1409 ( 5898 PWs) bands (ev): -5.7201 -5.7201 -5.7201 -5.7201 -4.9864 -4.9864 -4.9864 -4.9864 -3.3174 -3.3174 -3.3174 -3.3174 4.2699 4.2699 4.2699 4.2699 4.2761 4.2761 4.2761 4.2761 4.4955 4.4955 4.4955 4.4955 4.6245 4.6245 4.6245 4.6245 4.6380 4.6380 4.6380 4.6380 5.9764 5.9764 5.9764 5.9764 8.1421 8.1421 8.1421 8.1421 8.2166 8.2166 8.2166 8.2166 8.6002 8.6002 8.6002 8.6002 10.8960 10.8960 10.8960 10.8960 10.9468 10.9468 10.9468 10.9468 11.0252 11.0252 k = 0.0000 0.0000 0.1409 ( 5898 PWs) bands (ev): -5.7201 -5.7201 -5.7201 -5.7201 -4.9864 -4.9864 -4.9864 -4.9864 -3.3174 -3.3174 -3.3174 -3.3174 4.2699 4.2699 4.2699 4.2699 4.2761 4.2761 4.2761 4.2761 4.4955 4.4955 4.4955 4.4955 4.6245 4.6245 4.6245 4.6245 4.6380 4.6380 4.6380 4.6380 5.9764 5.9764 5.9764 5.9764 8.1421 8.1421 8.1421 8.1421 8.2166 8.2166 8.2166 8.2166 8.6002 8.6002 8.6002 8.6002 10.8960 10.8960 10.8960 10.8960 10.9468 10.9468 10.9468 10.9468 11.0252 11.0252 k = 0.0098 0.0057 0.1409 ( 5878 PWs) bands (ev): -5.7192 -5.7192 -5.7192 -5.7192 -4.9857 -4.9857 -4.9857 -4.9857 -3.3175 -3.3175 -3.3175 -3.3175 4.2682 4.2682 4.2682 4.2682 4.2763 4.2763 4.2763 4.2763 4.4929 4.4929 4.4929 4.4929 4.6265 4.6265 4.6265 4.6265 4.6400 4.6400 4.6400 4.6400 5.9793 5.9793 5.9793 5.9793 8.1373 8.1373 8.1373 8.1373 8.2118 8.2118 8.2118 8.2118 8.6002 8.6002 8.6002 8.6002 10.8980 10.8980 10.8980 10.8980 10.9487 10.9487 10.9487 10.9487 11.0287 11.0287 k = 0.0196 0.0113 0.1409 ( 5882 PWs) bands (ev): -5.7162 -5.7162 -5.7162 -5.7162 -4.9836 -4.9836 -4.9836 -4.9836 -3.3177 -3.3177 -3.3177 -3.3177 4.2610 4.2610 4.2610 4.2610 4.2790 4.2790 4.2790 4.2790 4.4858 4.4858 4.4858 4.4858 4.6322 4.6322 4.6322 4.6322 4.6458 4.6458 4.6458 4.6458 5.9878 5.9878 5.9878 5.9878 8.1221 8.1221 8.1221 8.1221 8.1987 8.1987 8.1987 8.1987 8.6000 8.6000 8.6000 8.6000 10.9039 10.9039 10.9039 10.9039 10.9543 10.9543 10.9543 10.9543 11.0393 11.0393 k = 0.0294 0.0170 0.1409 ( 5878 PWs) bands (ev): -5.7113 -5.7113 -5.7113 -5.7113 -4.9802 -4.9802 -4.9802 -4.9802 -3.3180 -3.3180 -3.3180 -3.3180 4.2480 4.2480 4.2480 4.2480 4.2846 4.2846 4.2846 4.2846 4.4755 4.4755 4.4755 4.4755 4.6409 4.6409 4.6409 4.6409 4.6547 4.6547 4.6547 4.6547 6.0016 6.0016 6.0016 6.0016 8.0941 8.0941 8.0941 8.0941 8.1807 8.1807 8.1807 8.1807 8.5989 8.5989 8.5989 8.5989 10.9125 10.9125 10.9125 10.9125 10.9638 10.9638 10.9638 10.9638 11.0572 11.0572 k = 0.0392 0.0226 0.1409 ( 5868 PWs) bands (ev): -5.7045 -5.7045 -5.7045 -5.7045 -4.9754 -4.9754 -4.9754 -4.9754 -3.3185 -3.3185 -3.3185 -3.3185 4.2298 4.2298 4.2298 4.2298 4.2926 4.2926 4.2926 4.2926 4.4637 4.4637 4.4637 4.4637 4.6522 4.6522 4.6522 4.6522 4.6659 4.6659 4.6659 4.6659 6.0203 6.0203 6.0203 6.0203 8.0523 8.0523 8.0523 8.0523 8.1605 8.1605 8.1605 8.1605 8.5966 8.5966 8.5966 8.5966 10.9230 10.9230 10.9230 10.9230 10.9769 10.9769 10.9769 10.9769 11.0825 11.0825 k = 0.0490 0.0283 0.1409 ( 5876 PWs) bands (ev): -5.6958 -5.6958 -5.6958 -5.6958 -4.9692 -4.9692 -4.9692 -4.9692 -3.3190 -3.3190 -3.3190 -3.3190 4.2070 4.2070 4.2070 4.2070 4.3031 4.3031 4.3031 4.3031 4.4512 4.4512 4.4512 4.4512 4.6658 4.6658 4.6658 4.6658 4.6788 4.6788 4.6788 4.6788 6.0431 6.0431 6.0431 6.0431 7.9979 7.9979 7.9979 7.9979 8.1389 8.1389 8.1389 8.1389 8.5923 8.5923 8.5923 8.5923 10.9343 10.9343 10.9343 10.9343 10.9934 10.9934 10.9934 10.9934 11.1149 11.1149 k = 0.0588 0.0340 0.1409 ( 5880 PWs) bands (ev): -5.6852 -5.6852 -5.6852 -5.6852 -4.9618 -4.9618 -4.9618 -4.9618 -3.3197 -3.3197 -3.3197 -3.3197 4.1801 4.1801 4.1801 4.1801 4.3158 4.3158 4.3158 4.3158 4.4387 4.4387 4.4387 4.4387 4.6810 4.6810 4.6810 4.6810 4.6938 4.6938 4.6938 4.6938 6.0692 6.0692 6.0692 6.0692 7.9332 7.9332 7.9332 7.9332 8.1154 8.1154 8.1154 8.1154 8.5858 8.5858 8.5858 8.5858 10.9460 10.9460 10.9460 10.9460 11.0130 11.0130 11.0130 11.0130 11.1538 11.1538 k = 0.0686 0.0396 0.1409 ( 5856 PWs) bands (ev): -5.6728 -5.6728 -5.6728 -5.6728 -4.9530 -4.9530 -4.9530 -4.9530 -3.3205 -3.3205 -3.3205 -3.3205 4.1499 4.1499 4.1499 4.1499 4.3307 4.3307 4.3307 4.3307 4.4265 4.4265 4.4265 4.4265 4.6961 4.6961 4.6961 4.6961 4.7120 4.7120 4.7120 4.7120 6.0979 6.0979 6.0979 6.0979 7.8603 7.8603 7.8603 7.8603 8.0896 8.0896 8.0896 8.0896 8.5769 8.5769 8.5769 8.5769 10.9577 10.9577 10.9577 10.9577 11.0353 11.0353 11.0353 11.0353 11.1981 11.1981 k = 0.0784 0.0453 0.1409 ( 5856 PWs) bands (ev): -5.6585 -5.6585 -5.6585 -5.6585 -4.9431 -4.9431 -4.9431 -4.9431 -3.3213 -3.3213 -3.3213 -3.3213 4.1170 4.1170 4.1170 4.1170 4.3479 4.3479 4.3479 4.3479 4.4146 4.4146 4.4146 4.4146 4.7102 4.7102 4.7102 4.7102 4.7343 4.7343 4.7343 4.7343 6.1281 6.1281 6.1281 6.1281 7.7812 7.7812 7.7812 7.7812 8.0615 8.0615 8.0615 8.0615 8.5656 8.5656 8.5656 8.5656 10.9692 10.9692 10.9692 10.9692 11.0601 11.0601 11.0601 11.0601 11.2468 11.2468 k = 0.0882 0.0509 0.1409 ( 5854 PWs) bands (ev): -5.6425 -5.6425 -5.6425 -5.6425 -4.9319 -4.9319 -4.9319 -4.9319 -3.3223 -3.3223 -3.3223 -3.3223 4.0822 4.0822 4.0822 4.0822 4.3669 4.3669 4.3669 4.3669 4.4035 4.4035 4.4035 4.4035 4.7237 4.7237 4.7237 4.7237 4.7603 4.7603 4.7603 4.7603 6.1587 6.1587 6.1587 6.1587 7.6978 7.6978 7.6978 7.6978 8.0311 8.0311 8.0311 8.0311 8.5518 8.5518 8.5518 8.5518 10.9802 10.9802 10.9802 10.9802 11.0872 11.0872 11.0872 11.0872 11.2988 11.2988 k = 0.0980 0.0566 0.1409 ( 5846 PWs) bands (ev): -5.6247 -5.6247 -5.6247 -5.6247 -4.9196 -4.9196 -4.9196 -4.9196 -3.3233 -3.3233 -3.3233 -3.3233 4.0460 4.0460 4.0460 4.0460 4.3841 4.3841 4.3841 4.3841 4.3968 4.3968 4.3968 4.3968 4.7369 4.7369 4.7369 4.7369 4.7896 4.7896 4.7896 4.7896 6.1887 6.1887 6.1887 6.1887 7.6115 7.6115 7.6115 7.6115 7.9985 7.9985 7.9985 7.9985 8.5357 8.5357 8.5357 8.5357 10.9905 10.9905 10.9905 10.9905 11.1163 11.1163 11.1163 11.1163 11.3532 11.3532 k = 0.1078 0.0623 0.1409 ( 5836 PWs) bands (ev): -5.6053 -5.6053 -5.6053 -5.6053 -4.9063 -4.9063 -4.9063 -4.9063 -3.3244 -3.3244 -3.3244 -3.3244 4.0092 4.0092 4.0092 4.0092 4.3792 4.3792 4.3792 4.3792 4.4147 4.4147 4.4147 4.4147 4.7500 4.7500 4.7500 4.7500 4.8219 4.8219 4.8219 4.8219 6.2166 6.2166 6.2166 6.2166 7.5243 7.5243 7.5243 7.5243 7.9640 7.9640 7.9640 7.9640 8.5173 8.5173 8.5173 8.5173 10.9998 10.9998 10.9998 10.9998 11.1473 11.1473 11.1473 11.1473 11.4092 11.4092 k = 0.1176 0.0679 0.1409 ( 5850 PWs) bands (ev): -5.5843 -5.5843 -5.5843 -5.5843 -4.8919 -4.8919 -4.8919 -4.8919 -3.3256 -3.3256 -3.3256 -3.3256 3.9722 3.9722 3.9722 3.9722 4.3694 4.3694 4.3694 4.3694 4.4400 4.4400 4.4400 4.4400 4.7632 4.7632 4.7632 4.7632 4.8571 4.8571 4.8571 4.8571 6.2411 6.2411 6.2411 6.2411 7.4378 7.4378 7.4378 7.4378 7.9279 7.9279 7.9279 7.9279 8.4967 8.4967 8.4967 8.4967 11.0078 11.0078 11.0078 11.0078 11.1800 11.1800 11.1800 11.1800 11.4662 11.4662 k = 0.1275 0.0736 0.1409 ( 5850 PWs) bands (ev): -5.5618 -5.5618 -5.5618 -5.5618 -4.8765 -4.8765 -4.8765 -4.8765 -3.3267 -3.3267 -3.3267 -3.3267 3.9354 3.9354 3.9354 3.9354 4.3595 4.3595 4.3595 4.3595 4.4677 4.4677 4.4677 4.4677 4.7765 4.7765 4.7765 4.7765 4.8951 4.8951 4.8951 4.8951 6.2603 6.2603 6.2603 6.2603 7.3541 7.3541 7.3541 7.3541 7.8903 7.8903 7.8903 7.8903 8.4740 8.4740 8.4740 8.4740 11.0145 11.0145 11.0145 11.0145 11.2144 11.2144 11.2144 11.2144 11.5236 11.5236 k = 0.1373 0.0792 0.1409 ( 5846 PWs) bands (ev): -5.5378 -5.5378 -5.5378 -5.5378 -4.8603 -4.8603 -4.8603 -4.8603 -3.3279 -3.3279 -3.3279 -3.3279 3.8993 3.8993 3.8993 3.8993 4.3501 4.3501 4.3501 4.3501 4.4975 4.4975 4.4975 4.4975 4.7901 4.7901 4.7901 4.7901 4.9359 4.9359 4.9359 4.9359 6.2723 6.2723 6.2723 6.2723 7.2755 7.2755 7.2755 7.2755 7.8516 7.8516 7.8516 7.8516 8.4494 8.4494 8.4494 8.4494 11.0197 11.0197 11.0197 11.0197 11.2503 11.2503 11.2503 11.2503 11.5811 11.5811 k = 0.1471 0.0849 0.1409 ( 5844 PWs) bands (ev): -5.5124 -5.5124 -5.5124 -5.5124 -4.8433 -4.8433 -4.8433 -4.8433 -3.3291 -3.3291 -3.3291 -3.3291 3.8641 3.8641 3.8641 3.8641 4.3410 4.3410 4.3410 4.3410 4.5292 4.5292 4.5292 4.5292 4.8039 4.8039 4.8040 4.8040 4.9793 4.9793 4.9793 4.9793 6.2749 6.2749 6.2749 6.2749 7.2044 7.2044 7.2044 7.2044 7.8119 7.8119 7.8119 7.8119 8.4229 8.4229 8.4229 8.4229 11.0233 11.0233 11.0233 11.0233 11.2877 11.2877 11.2877 11.2877 11.6384 11.6384 k = 0.1569 0.0906 0.1409 ( 5840 PWs) bands (ev): -5.4857 -5.4857 -5.4857 -5.4857 -4.8256 -4.8256 -4.8256 -4.8256 -3.3302 -3.3302 -3.3302 -3.3302 3.8303 3.8303 3.8303 3.8303 4.3323 4.3323 4.3323 4.3323 4.5627 4.5627 4.5627 4.5627 4.8181 4.8181 4.8181 4.8181 5.0253 5.0253 5.0253 5.0253 6.2657 6.2657 6.2657 6.2657 7.1432 7.1432 7.1432 7.1432 7.7715 7.7715 7.7715 7.7715 8.3948 8.3948 8.3948 8.3948 11.0253 11.0253 11.0253 11.0253 11.3265 11.3265 11.3265 11.3265 11.6951 11.6951 k = 0.1667 0.0962 0.1409 ( 5840 PWs) bands (ev): -5.4579 -5.4579 -5.4579 -5.4579 -4.8072 -4.8072 -4.8072 -4.8072 -3.3313 -3.3313 -3.3313 -3.3313 3.7979 3.7979 3.7979 3.7979 4.3241 4.3241 4.3241 4.3241 4.5979 4.5979 4.5979 4.5979 4.8327 4.8327 4.8327 4.8327 5.0737 5.0737 5.0737 5.0737 6.2432 6.2432 6.2432 6.2432 7.0938 7.0938 7.0938 7.0938 7.7307 7.7307 7.7307 7.7307 8.3653 8.3653 8.3653 8.3653 11.0258 11.0258 11.0258 11.0258 11.3666 11.3666 11.3666 11.3666 11.7512 11.7512 k = 0.1765 0.1019 0.1409 ( 5836 PWs) bands (ev): -5.4289 -5.4289 -5.4289 -5.4289 -4.7883 -4.7883 -4.7883 -4.7883 -3.3323 -3.3323 -3.3323 -3.3323 3.7673 3.7673 3.7673 3.7673 4.3163 4.3163 4.3163 4.3163 4.6348 4.6348 4.6348 4.6348 4.8477 4.8477 4.8477 4.8477 5.1244 5.1244 5.1244 5.1244 6.2068 6.2068 6.2068 6.2068 7.0570 7.0570 7.0570 7.0570 7.6896 7.6896 7.6896 7.6896 8.3344 8.3344 8.3344 8.3344 11.0248 11.0248 11.0248 11.0248 11.4080 11.4080 11.4080 11.4080 11.8064 11.8064 k = 0.1863 0.1075 0.1409 ( 5832 PWs) bands (ev): -5.3989 -5.3989 -5.3989 -5.3989 -4.7689 -4.7689 -4.7689 -4.7689 -3.3331 -3.3331 -3.3331 -3.3331 3.7385 3.7385 3.7385 3.7385 4.3088 4.3088 4.3088 4.3088 4.6732 4.6732 4.6732 4.6732 4.8631 4.8631 4.8631 4.8631 5.1774 5.1774 5.1774 5.1774 6.1574 6.1574 6.1574 6.1574 7.0321 7.0321 7.0321 7.0321 7.6484 7.6484 7.6484 7.6484 8.3026 8.3026 8.3026 8.3026 11.0225 11.0225 11.0225 11.0225 11.4506 11.4506 11.4506 11.4506 11.8607 11.8607 k = 0.1961 0.1132 0.1409 ( 5824 PWs) bands (ev): -5.3681 -5.3681 -5.3681 -5.3681 -4.7491 -4.7491 -4.7491 -4.7491 -3.3338 -3.3338 -3.3338 -3.3338 3.7118 3.7118 3.7118 3.7118 4.3017 4.3017 4.3017 4.3017 4.7131 4.7131 4.7131 4.7131 4.8790 4.8790 4.8790 4.8790 5.2325 5.2325 5.2325 5.2325 6.0973 6.0973 6.0973 6.0973 7.0171 7.0171 7.0171 7.0171 7.6074 7.6074 7.6074 7.6074 8.2699 8.2699 8.2699 8.2699 11.0190 11.0190 11.0190 11.0190 11.4942 11.4942 11.4942 11.4942 11.9138 11.9138 k = 0.2059 0.1189 0.1409 ( 5832 PWs) bands (ev): -5.3364 -5.3364 -5.3364 -5.3364 -4.7291 -4.7291 -4.7291 -4.7291 -3.3344 -3.3344 -3.3344 -3.3344 3.6872 3.6872 3.6872 3.6872 4.2947 4.2947 4.2947 4.2947 4.7542 4.7542 4.7542 4.7542 4.8953 4.8953 4.8953 4.8953 5.2895 5.2895 5.2895 5.2895 6.0291 6.0291 6.0291 6.0291 7.0095 7.0095 7.0095 7.0095 7.5667 7.5667 7.5667 7.5667 8.2367 8.2367 8.2367 8.2367 11.0145 11.0145 11.0145 11.0145 11.5385 11.5385 11.5385 11.5385 11.9658 11.9658 k = 0.2157 0.1245 0.1409 ( 5824 PWs) bands (ev): -5.3041 -5.3041 -5.3041 -5.3041 -4.7090 -4.7090 -4.7090 -4.7090 -3.3347 -3.3347 -3.3347 -3.3347 3.6647 3.6647 3.6647 3.6647 4.2878 4.2878 4.2878 4.2878 4.7964 4.7964 4.7964 4.7964 4.9119 4.9119 4.9119 4.9119 5.3483 5.3483 5.3483 5.3483 5.9558 5.9558 5.9558 5.9558 7.0070 7.0070 7.0070 7.0070 7.5265 7.5265 7.5265 7.5265 8.2032 8.2032 8.2032 8.2032 11.0092 11.0092 11.0092 11.0092 11.5834 11.5834 11.5834 11.5834 12.0166 12.0166 k = 0.2255 0.1302 0.1409 ( 5826 PWs) bands (ev): -5.2713 -5.2713 -5.2713 -5.2713 -4.6887 -4.6887 -4.6887 -4.6887 -3.3347 -3.3347 -3.3347 -3.3347 3.6445 3.6445 3.6445 3.6445 4.2808 4.2808 4.2808 4.2808 4.8395 4.8395 4.8395 4.8395 4.9288 4.9288 4.9288 4.9288 5.4088 5.4088 5.4088 5.4088 5.8798 5.8798 5.8798 5.8798 7.0073 7.0073 7.0073 7.0073 7.4869 7.4869 7.4869 7.4869 8.1699 8.1699 8.1699 8.1699 11.0032 11.0032 11.0032 11.0032 11.6283 11.6283 11.6283 11.6283 12.0660 12.0660 k = 0.2353 0.1358 0.1409 ( 5816 PWs) bands (ev): -5.2380 -5.2380 -5.2380 -5.2380 -4.6685 -4.6685 -4.6685 -4.6685 -3.3344 -3.3344 -3.3344 -3.3344 3.6265 3.6265 3.6265 3.6265 4.2736 4.2736 4.2736 4.2736 4.8833 4.8833 4.8833 4.8833 4.9460 4.9460 4.9460 4.9460 5.4707 5.4707 5.4707 5.4707 5.8033 5.8033 5.8033 5.8033 7.0088 7.0088 7.0088 7.0088 7.4482 7.4482 7.4482 7.4482 8.1369 8.1369 8.1369 8.1369 10.9968 10.9968 10.9968 10.9968 11.6728 11.6728 11.6728 11.6728 12.1141 12.1141 k = 0.2451 0.1415 0.1409 ( 5828 PWs) bands (ev): -5.2044 -5.2044 -5.2044 -5.2044 -4.6485 -4.6485 -4.6485 -4.6485 -3.3338 -3.3338 -3.3338 -3.3338 3.6107 3.6107 3.6107 3.6107 4.2660 4.2660 4.2660 4.2660 4.9269 4.9269 4.9269 4.9269 4.9639 4.9639 4.9639 4.9639 5.5339 5.5339 5.5339 5.5339 5.7283 5.7283 5.7283 5.7283 7.0101 7.0101 7.0101 7.0101 7.4104 7.4104 7.4104 7.4104 8.1047 8.1047 8.1047 8.1047 10.9902 10.9902 10.9902 10.9902 11.7164 11.7164 11.7164 11.7164 12.1607 12.1607 k = 0.2549 0.1472 0.1409 ( 5830 PWs) bands (ev): -5.1707 -5.1707 -5.1707 -5.1707 -4.6287 -4.6287 -4.6287 -4.6287 -3.3329 -3.3329 -3.3329 -3.3329 3.5969 3.5969 3.5969 3.5969 4.2578 4.2578 4.2578 4.2578 4.9652 4.9652 4.9652 4.9652 4.9870 4.9870 4.9870 4.9870 5.5975 5.5975 5.5975 5.5975 5.6571 5.6571 5.6571 5.6571 7.0103 7.0103 7.0103 7.0103 7.3738 7.3738 7.3738 7.3738 8.0737 8.0737 8.0737 8.0737 10.9834 10.9834 10.9834 10.9834 11.7582 11.7582 11.7582 11.7582 12.2058 12.2058 k = 0.2647 0.1528 0.1409 ( 5830 PWs) bands (ev): -5.1369 -5.1369 -5.1369 -5.1369 -4.6092 -4.6092 -4.6092 -4.6092 -3.3315 -3.3315 -3.3315 -3.3315 3.5851 3.5851 3.5851 3.5851 4.2487 4.2487 4.2487 4.2487 4.9870 4.9870 4.9870 4.9870 5.0257 5.0257 5.0257 5.0257 5.5882 5.5882 5.5882 5.5882 5.6645 5.6645 5.6645 5.6645 7.0088 7.0088 7.0088 7.0088 7.3383 7.3383 7.3383 7.3383 8.0440 8.0440 8.0440 8.0440 10.9767 10.9767 10.9767 10.9767 11.7976 11.7976 11.7976 11.7976 12.2494 12.2494 k = 0.2745 0.1585 0.1409 ( 5834 PWs) bands (ev): -5.1032 -5.1032 -5.1032 -5.1032 -4.5901 -4.5901 -4.5901 -4.5901 -3.3297 -3.3297 -3.3297 -3.3297 3.5750 3.5750 3.5750 3.5750 4.2388 4.2388 4.2388 4.2388 5.0008 5.0008 5.0008 5.0008 5.0705 5.0705 5.0705 5.0705 5.5281 5.5281 5.5281 5.5281 5.7298 5.7298 5.7298 5.7298 7.0049 7.0049 7.0049 7.0049 7.3043 7.3043 7.3043 7.3043 8.0160 8.0160 8.0160 8.0160 10.9703 10.9703 10.9703 10.9703 11.8335 11.8335 11.8335 11.8335 12.2913 12.2913 k = 0.2843 0.1641 0.1409 ( 5830 PWs) bands (ev): -5.0698 -5.0698 -5.0698 -5.0698 -4.5716 -4.5716 -4.5716 -4.5716 -3.3275 -3.3275 -3.3275 -3.3275 3.5663 3.5663 3.5663 3.5663 4.2279 4.2279 4.2279 4.2279 5.0105 5.0105 5.0105 5.0105 5.1163 5.1163 5.1163 5.1163 5.4760 5.4760 5.4760 5.4760 5.7958 5.7958 5.7958 5.7958 6.9985 6.9985 6.9985 6.9985 7.2718 7.2718 7.2718 7.2718 7.9899 7.9899 7.9899 7.9899 10.9643 10.9643 10.9643 10.9643 11.8649 11.8649 11.8649 11.8649 12.3313 12.3313 k = 0.2941 0.1698 0.1409 ( 5820 PWs) bands (ev): -5.0367 -5.0367 -5.0367 -5.0367 -4.5537 -4.5537 -4.5537 -4.5537 -3.3248 -3.3248 -3.3248 -3.3248 3.5588 3.5588 3.5588 3.5588 4.2159 4.2159 4.2159 4.2159 5.0155 5.0155 5.0155 5.0155 5.1622 5.1622 5.1622 5.1622 5.4338 5.4338 5.4338 5.4338 5.8619 5.8619 5.8619 5.8619 6.9895 6.9895 6.9895 6.9895 7.2410 7.2410 7.2410 7.2410 7.9659 7.9659 7.9659 7.9659 10.9587 10.9587 10.9587 10.9587 11.8907 11.8907 11.8907 11.8907 12.3693 12.3693 k = 0.3039 0.1755 0.1409 ( 5828 PWs) bands (ev): -5.0040 -5.0040 -5.0040 -5.0040 -4.5365 -4.5365 -4.5365 -4.5365 -3.3216 -3.3216 -3.3216 -3.3216 3.5520 3.5520 3.5520 3.5520 4.2031 4.2031 4.2031 4.2031 5.0150 5.0150 5.0150 5.0150 5.2077 5.2077 5.2077 5.2077 5.4031 5.4031 5.4031 5.4031 5.9276 5.9276 5.9276 5.9276 6.9778 6.9778 6.9778 6.9778 7.2121 7.2121 7.2121 7.2121 7.9441 7.9441 7.9441 7.9441 10.9538 10.9538 10.9538 10.9538 11.9097 11.9097 11.9097 11.9097 12.4048 12.4048 k = 0.3137 0.1811 0.1409 ( 5824 PWs) bands (ev): -4.9720 -4.9720 -4.9720 -4.9720 -4.5201 -4.5201 -4.5201 -4.5201 -3.3179 -3.3179 -3.3179 -3.3179 3.5454 3.5454 3.5454 3.5454 4.1897 4.1897 4.1897 4.1897 5.0088 5.0088 5.0088 5.0088 5.2524 5.2524 5.2524 5.2524 5.3846 5.3846 5.3846 5.3846 5.9927 5.9927 5.9927 5.9927 6.9637 6.9637 6.9637 6.9637 7.1853 7.1853 7.1853 7.1853 7.9244 7.9244 7.9244 7.9244 10.9495 10.9495 10.9495 10.9495 11.9206 11.9206 11.9206 11.9206 12.4374 12.4374 k = 0.3235 0.1868 0.1409 ( 5822 PWs) bands (ev): -4.9408 -4.9408 -4.9408 -4.9408 -4.5045 -4.5045 -4.5045 -4.5045 -3.3137 -3.3137 -3.3137 -3.3137 3.5386 3.5386 3.5386 3.5386 4.1762 4.1762 4.1762 4.1762 4.9975 4.9975 4.9975 4.9975 5.2953 5.2953 5.2953 5.2953 5.3780 5.3780 5.3780 5.3780 6.0566 6.0566 6.0566 6.0566 6.9474 6.9474 6.9474 6.9474 7.1607 7.1607 7.1607 7.1607 7.9069 7.9069 7.9069 7.9069 10.9461 10.9461 10.9461 10.9461 11.9223 11.9223 11.9223 11.9223 12.4663 12.4663 k = 0.3333 0.1925 0.1409 ( 5818 PWs) bands (ev): -4.9104 -4.9104 -4.9104 -4.9104 -4.4899 -4.4899 -4.4899 -4.4899 -3.3091 -3.3091 -3.3091 -3.3091 3.5311 3.5311 3.5311 3.5311 4.1634 4.1634 4.1634 4.1634 4.9829 4.9829 4.9829 4.9829 5.3341 5.3341 5.3341 5.3341 5.3836 5.3836 5.3836 5.3836 6.1189 6.1189 6.1189 6.1189 6.9294 6.9294 6.9294 6.9294 7.1386 7.1386 7.1386 7.1386 7.8914 7.8914 7.8914 7.8914 10.9435 10.9435 10.9435 10.9435 11.9139 11.9139 11.9139 11.9139 12.4904 12.4904 k = 0.3431 0.1981 0.1409 ( 5826 PWs) bands (ev): -4.8809 -4.8809 -4.8809 -4.8809 -4.4762 -4.4762 -4.4762 -4.4762 -3.3040 -3.3040 -3.3040 -3.3040 3.5222 3.5222 3.5222 3.5222 4.1518 4.1518 4.1518 4.1518 4.9667 4.9667 4.9667 4.9667 5.3628 5.3628 5.3628 5.3628 5.4049 5.4049 5.4049 5.4049 6.1790 6.1790 6.1790 6.1790 6.9101 6.9101 6.9101 6.9101 7.1192 7.1192 7.1192 7.1192 7.8778 7.8778 7.8778 7.8778 10.9418 10.9418 10.9418 10.9418 11.8948 11.8948 11.8948 11.8948 12.5079 12.5080 k = 0.3529 0.2038 0.1409 ( 5824 PWs) bands (ev): -4.8526 -4.8526 -4.8526 -4.8526 -4.4635 -4.4635 -4.4635 -4.4635 -3.2986 -3.2986 -3.2986 -3.2986 3.5115 3.5115 3.5115 3.5115 4.1424 4.1424 4.1424 4.1424 4.9504 4.9504 4.9504 4.9504 5.3819 5.3819 5.3819 5.3819 5.4390 5.4390 5.4390 5.4390 6.2365 6.2365 6.2365 6.2365 6.8901 6.8901 6.8901 6.8901 7.1028 7.1028 7.1028 7.1028 7.8658 7.8658 7.8658 7.8658 10.9410 10.9410 10.9410 10.9410 11.8651 11.8651 11.8651 11.8651 12.5159 12.5159 k = 0.3627 0.2094 0.1409 ( 5826 PWs) bands (ev): -4.8254 -4.8254 -4.8254 -4.8254 -4.4519 -4.4519 -4.4519 -4.4519 -3.2928 -3.2928 -3.2928 -3.2928 3.4987 3.4987 3.4987 3.4987 4.1357 4.1357 4.1357 4.1357 4.9348 4.9348 4.9348 4.9348 5.3988 5.3988 5.3988 5.3988 5.4766 5.4766 5.4766 5.4766 6.2906 6.2906 6.2906 6.2906 6.8698 6.8698 6.8698 6.8698 7.0898 7.0898 7.0898 7.0898 7.8553 7.8553 7.8553 7.8553 10.9410 10.9410 10.9410 10.9410 11.8255 11.8255 11.8255 11.8255 12.5101 12.5101 k = 0.3725 0.2151 0.1409 ( 5822 PWs) bands (ev): -4.7995 -4.7995 -4.7995 -4.7995 -4.4413 -4.4413 -4.4413 -4.4413 -3.2868 -3.2868 -3.2868 -3.2868 3.4838 3.4838 3.4838 3.4838 4.1323 4.1323 4.1323 4.1323 4.9205 4.9205 4.9205 4.9205 5.4157 5.4157 5.4157 5.4157 5.5140 5.5140 5.5140 5.5140 6.3408 6.3408 6.3408 6.3408 6.8499 6.8499 6.8499 6.8499 7.0803 7.0803 7.0803 7.0803 7.8461 7.8461 7.8461 7.8461 10.9420 10.9420 10.9420 10.9420 11.7776 11.7776 11.7776 11.7776 12.4886 12.4886 k = 0.3824 0.2208 0.1409 ( 5828 PWs) bands (ev): -4.7750 -4.7750 -4.7750 -4.7750 -4.4318 -4.4318 -4.4318 -4.4318 -3.2807 -3.2807 -3.2807 -3.2807 3.4667 3.4667 3.4667 3.4667 4.1325 4.1325 4.1325 4.1325 4.9075 4.9075 4.9075 4.9075 5.4324 5.4324 5.4324 5.4324 5.5500 5.5500 5.5500 5.5500 6.3865 6.3865 6.3865 6.3865 6.8307 6.8307 6.8307 6.8307 7.0746 7.0746 7.0746 7.0746 7.8379 7.8379 7.8379 7.8379 10.9438 10.9438 10.9438 10.9438 11.7234 11.7234 11.7234 11.7234 12.4554 12.4554 k = 0.3922 0.2264 0.1409 ( 5830 PWs) bands (ev): -4.7520 -4.7520 -4.7520 -4.7520 -4.4234 -4.4234 -4.4234 -4.4234 -3.2744 -3.2744 -3.2744 -3.2744 3.4480 3.4480 3.4480 3.4480 4.1361 4.1361 4.1361 4.1361 4.8958 4.8958 4.8958 4.8958 5.4487 5.4487 5.4487 5.4487 5.5842 5.5842 5.5842 5.5842 6.4271 6.4271 6.4271 6.4271 6.8128 6.8128 6.8128 6.8128 7.0729 7.0729 7.0729 7.0729 7.8306 7.8306 7.8306 7.8306 10.9463 10.9463 10.9463 10.9463 11.6651 11.6651 11.6651 11.6651 12.4163 12.4163 k = 0.4020 0.2321 0.1409 ( 5828 PWs) bands (ev): -4.7305 -4.7305 -4.7305 -4.7305 -4.4160 -4.4160 -4.4160 -4.4160 -3.2682 -3.2682 -3.2682 -3.2682 3.4281 3.4281 3.4281 3.4281 4.1429 4.1429 4.1429 4.1429 4.8852 4.8852 4.8852 4.8852 5.4640 5.4640 5.4640 5.4640 5.6161 5.6161 5.6161 5.6161 6.4623 6.4623 6.4623 6.4623 6.7965 6.7965 6.7965 6.7965 7.0750 7.0750 7.0750 7.0750 7.8242 7.8242 7.8242 7.8242 10.9495 10.9495 10.9495 10.9495 11.6050 11.6050 11.6050 11.6050 12.3752 12.3752 k = 0.4118 0.2377 0.1409 ( 5838 PWs) bands (ev): -4.7107 -4.7107 -4.7107 -4.7107 -4.4096 -4.4096 -4.4096 -4.4096 -3.2621 -3.2621 -3.2621 -3.2621 3.4076 3.4076 3.4076 3.4076 4.1523 4.1523 4.1523 4.1523 4.8755 4.8755 4.8755 4.8755 5.4781 5.4781 5.4781 5.4781 5.6457 5.6457 5.6457 5.6457 6.4920 6.4920 6.4920 6.4920 6.7820 6.7820 6.7820 6.7820 7.0807 7.0807 7.0807 7.0807 7.8184 7.8184 7.8184 7.8184 10.9532 10.9532 10.9532 10.9532 11.5452 11.5452 11.5452 11.5452 12.3343 12.3343 k = 0.4216 0.2434 0.1409 ( 5830 PWs) bands (ev): -4.6926 -4.6926 -4.6926 -4.6926 -4.4041 -4.4041 -4.4041 -4.4041 -3.2563 -3.2563 -3.2563 -3.2563 3.3873 3.3873 3.3873 3.3873 4.1639 4.1639 4.1639 4.1639 4.8666 4.8666 4.8666 4.8666 5.4906 5.4906 5.4906 5.4906 5.6727 5.6727 5.6727 5.6727 6.5162 6.5162 6.5162 6.5162 6.7696 6.7696 6.7696 6.7696 7.0895 7.0895 7.0895 7.0895 7.8132 7.8132 7.8132 7.8132 10.9572 10.9572 10.9572 10.9572 11.4873 11.4873 11.4873 11.4873 12.2950 12.2950 k = 0.4314 0.2491 0.1409 ( 5834 PWs) bands (ev): -4.6764 -4.6764 -4.6764 -4.6764 -4.3996 -4.3996 -4.3996 -4.3996 -3.2508 -3.2508 -3.2508 -3.2508 3.3677 3.3677 3.3677 3.3677 4.1767 4.1767 4.1767 4.1767 4.8583 4.8583 4.8583 4.8583 5.5015 5.5015 5.5015 5.5015 5.6969 5.6969 5.6969 5.6969 6.5354 6.5354 6.5354 6.5354 6.7593 6.7593 6.7593 6.7593 7.1005 7.1005 7.1005 7.1005 7.8085 7.8085 7.8085 7.8085 10.9614 10.9614 10.9614 10.9614 11.4330 11.4330 11.4330 11.4330 12.2583 12.2583 k = 0.4412 0.2547 0.1409 ( 5842 PWs) bands (ev): -4.6621 -4.6621 -4.6621 -4.6621 -4.3958 -4.3958 -4.3958 -4.3958 -3.2458 -3.2458 -3.2458 -3.2458 3.3495 3.3495 3.3495 3.3495 4.1901 4.1901 4.1901 4.1901 4.8507 4.8507 4.8507 4.8507 5.5107 5.5107 5.5107 5.5107 5.7182 5.7182 5.7182 5.7182 6.5502 6.5502 6.5502 6.5502 6.7510 6.7510 6.7510 6.7510 7.1128 7.1128 7.1128 7.1128 7.8044 7.8044 7.8044 7.8044 10.9656 10.9656 10.9656 10.9656 11.3836 11.3836 11.3836 11.3836 12.2249 12.2249 k = 0.4510 0.2604 0.1409 ( 5830 PWs) bands (ev): -4.6498 -4.6498 -4.6498 -4.6498 -4.3929 -4.3929 -4.3929 -4.3929 -3.2413 -3.2413 -3.2413 -3.2413 3.3332 3.3332 3.3332 3.3332 4.2032 4.2032 4.2032 4.2032 4.8438 4.8438 4.8438 4.8438 5.5182 5.5182 5.5182 5.5182 5.7364 5.7364 5.7364 5.7364 6.5613 6.5613 6.5613 6.5613 6.7445 6.7445 6.7445 6.7445 7.1254 7.1254 7.1254 7.1254 7.8009 7.8009 7.8009 7.8009 10.9696 10.9696 10.9696 10.9696 11.3400 11.3400 11.3400 11.3400 12.1956 12.1956 k = 0.4608 0.2660 0.1409 ( 5828 PWs) bands (ev): -4.6395 -4.6395 -4.6395 -4.6395 -4.3906 -4.3906 -4.3906 -4.3906 -3.2376 -3.2376 -3.2376 -3.2376 3.3192 3.3192 3.3192 3.3192 4.2152 4.2152 4.2152 4.2152 4.8377 4.8377 4.8377 4.8377 5.5241 5.5241 5.5241 5.5241 5.7515 5.7515 5.7515 5.7515 6.5693 6.5693 6.5693 6.5693 6.7397 6.7397 6.7397 6.7397 7.1371 7.1371 7.1371 7.1371 7.7980 7.7980 7.7980 7.7980 10.9732 10.9732 10.9732 10.9732 11.3033 11.3033 11.3033 11.3033 12.1708 12.1708 k = 0.4706 0.2717 0.1409 ( 5832 PWs) bands (ev): -4.6315 -4.6315 -4.6315 -4.6315 -4.3889 -4.3889 -4.3889 -4.3889 -3.2346 -3.2346 -3.2346 -3.2346 3.3080 3.3080 3.3080 3.3080 4.2255 4.2255 4.2255 4.2255 4.8326 4.8326 4.8326 4.8326 5.5286 5.5286 5.5286 5.5286 5.7633 5.7633 5.7633 5.7633 6.5748 6.5748 6.5748 6.5748 6.7363 6.7363 6.7363 6.7363 7.1472 7.1472 7.1472 7.1472 7.7956 7.7956 7.7956 7.7956 10.9762 10.9762 10.9762 10.9762 11.2740 11.2740 11.2740 11.2740 12.1511 12.1511 k = 0.4804 0.2774 0.1409 ( 5838 PWs) bands (ev): -4.6257 -4.6257 -4.6257 -4.6257 -4.3878 -4.3878 -4.3878 -4.3878 -3.2323 -3.2323 -3.2323 -3.2323 3.2998 3.2998 3.2998 3.2998 4.2334 4.2334 4.2334 4.2334 4.8287 4.8287 4.8287 4.8287 5.5316 5.5316 5.5316 5.5316 5.7717 5.7717 5.7717 5.7717 6.5785 6.5785 6.5785 6.5785 6.7341 6.7341 6.7341 6.7341 7.1550 7.1550 7.1550 7.1550 7.7939 7.7939 7.7939 7.7939 10.9785 10.9785 10.9785 10.9785 11.2527 11.2527 11.2527 11.2527 12.1368 12.1368 k = 0.4902 0.2830 0.1409 ( 5852 PWs) bands (ev): -4.6222 -4.6222 -4.6222 -4.6222 -4.3871 -4.3871 -4.3871 -4.3871 -3.2310 -3.2310 -3.2310 -3.2310 3.2948 3.2948 3.2948 3.2948 4.2383 4.2383 4.2383 4.2383 4.8263 4.8263 4.8263 4.8263 5.5334 5.5334 5.5334 5.5334 5.7769 5.7769 5.7769 5.7769 6.5805 6.5805 6.5805 6.5805 6.7329 6.7329 6.7329 6.7329 7.1598 7.1598 7.1598 7.1598 7.7929 7.7929 7.7929 7.7929 10.9799 10.9799 10.9799 10.9799 11.2397 11.2397 11.2397 11.2397 12.1281 12.1281 k = 0.5000 0.2887 0.1409 ( 5844 PWs) bands (ev): -4.6210 -4.6210 -4.6210 -4.6210 -4.3869 -4.3869 -4.3869 -4.3869 -3.2306 -3.2306 -3.2306 -3.2306 3.2931 3.2931 3.2931 3.2931 4.2400 4.2400 4.2400 4.2400 4.8255 4.8255 4.8255 4.8255 5.5340 5.5340 5.5340 5.5340 5.7786 5.7786 5.7786 5.7786 6.5811 6.5811 6.5811 6.5811 6.7325 6.7325 6.7325 6.7325 7.1615 7.1615 7.1615 7.1615 7.7926 7.7926 7.7926 7.7926 10.9804 10.9804 10.9804 10.9804 11.2354 11.2354 11.2354 11.2354 12.1252 12.1252 k = 0.5000 0.2887 0.1409 ( 5844 PWs) bands (ev): -4.6210 -4.6210 -4.6210 -4.6210 -4.3869 -4.3869 -4.3869 -4.3869 -3.2306 -3.2306 -3.2306 -3.2306 3.2931 3.2931 3.2931 3.2931 4.2400 4.2400 4.2400 4.2400 4.8255 4.8255 4.8255 4.8255 5.5340 5.5340 5.5340 5.5340 5.7786 5.7786 5.7786 5.7786 6.5811 6.5811 6.5811 6.5811 6.7325 6.7325 6.7325 6.7325 7.1615 7.1615 7.1615 7.1615 7.7926 7.7926 7.7926 7.7926 10.9804 10.9804 10.9804 10.9804 11.2354 11.2354 11.2354 11.2354 12.1252 12.1252 k = 0.4944 0.2983 0.1409 ( 5852 PWs) bands (ev): -4.6208 -4.6208 -4.6205 -4.6205 -4.3870 -4.3870 -4.3867 -4.3867 -3.2306 -3.2306 -3.2300 -3.2300 3.2942 3.2942 3.2943 3.2943 4.2398 4.2398 4.2420 4.2420 4.8248 4.8248 4.8256 4.8256 5.5328 5.5328 5.5358 5.5358 5.7772 5.7772 5.7805 5.7805 6.5401 6.5401 6.5663 6.5663 6.7454 6.7454 6.7725 6.7725 7.1608 7.1608 7.1622 7.1622 7.7896 7.7896 7.7908 7.7908 10.9630 10.9630 10.9694 10.9694 11.2442 11.2442 11.2491 11.2491 12.1184 12.1223 k = 0.4889 0.3079 0.1409 ( 5840 PWs) bands (ev): -4.6199 -4.6199 -4.6192 -4.6192 -4.3869 -4.3869 -4.3862 -4.3862 -3.2301 -3.2301 -3.2288 -3.2288 3.2975 3.2975 3.2978 3.2978 4.2413 4.2413 4.2456 4.2456 4.8234 4.8234 4.8251 4.8251 5.5321 5.5321 5.5380 5.5380 5.7765 5.7765 5.7830 5.7830 6.4780 6.4780 6.5110 6.5110 6.7958 6.7958 6.8305 6.8305 7.1603 7.1603 7.1629 7.1629 7.7820 7.7820 7.7845 7.7845 10.9237 10.9237 10.9343 10.9343 11.2710 11.2710 11.2788 11.2788 12.1046 12.1047 k = 0.4833 0.3175 0.1409 ( 5844 PWs) bands (ev): -4.6183 -4.6183 -4.6172 -4.6172 -4.3866 -4.3866 -4.3856 -4.3856 -3.2290 -3.2290 -3.2271 -3.2271 3.3030 3.3030 3.3035 3.3035 4.2445 4.2445 4.2510 4.2510 4.8215 4.8215 4.8239 4.8239 5.5319 5.5319 5.5407 5.5407 5.7765 5.7765 5.7861 5.7861 6.4103 6.4103 6.4446 6.4446 6.8542 6.8542 6.8903 6.8903 7.1605 7.1605 7.1639 7.1639 7.7701 7.7701 7.7740 7.7740 10.8712 10.8712 10.8843 10.8843 11.3072 11.3072 11.3158 11.3158 12.0852 12.0914 k = 0.4778 0.3272 0.1409 ( 5842 PWs) bands (ev): -4.6160 -4.6160 -4.6145 -4.6145 -4.3861 -4.3861 -4.3848 -4.3848 -3.2274 -3.2274 -3.2249 -3.2249 3.3107 3.3107 3.3113 3.3113 4.2494 4.2494 4.2581 4.2581 4.8189 4.8189 4.8220 4.8220 5.5319 5.5319 5.5436 5.5436 5.7771 5.7771 5.7899 5.7899 6.3410 6.3410 6.3751 6.3751 6.9117 6.9117 6.9464 6.9464 7.1628 7.1628 7.1656 7.1656 7.7546 7.7546 7.7599 7.7599 10.8107 10.8107 10.8253 10.8253 11.3465 11.3465 11.3550 11.3550 12.0614 12.0616 k = 0.4722 0.3368 0.1409 ( 5838 PWs) bands (ev): -4.6130 -4.6130 -4.6111 -4.6111 -4.3854 -4.3854 -4.3838 -4.3838 -3.2252 -3.2252 -3.2222 -3.2222 3.3205 3.3205 3.3213 3.3213 4.2560 4.2560 4.2669 4.2669 4.8155 4.8155 4.8192 4.8192 5.5320 5.5320 5.5465 5.5465 5.7784 5.7784 5.7942 5.7942 6.2719 6.2719 6.3053 6.3053 6.9636 6.9636 6.9936 6.9936 7.1698 7.1698 7.1705 7.1705 7.7363 7.7363 7.7430 7.7430 10.7449 10.7449 10.7606 10.7606 11.3854 11.3854 11.3933 11.3933 12.0354 12.0356 k = 0.4667 0.3464 0.1409 ( 5832 PWs) bands (ev): -4.6093 -4.6093 -4.6071 -4.6071 -4.3847 -4.3847 -4.3827 -4.3827 -3.2225 -3.2225 -3.2189 -3.2189 3.3325 3.3325 3.3334 3.3334 4.2644 4.2644 4.2776 4.2776 4.8112 4.8112 4.8155 4.8155 5.5318 5.5318 5.5491 5.5491 5.7804 5.7804 5.7991 5.7991 6.2042 6.2042 6.2365 6.2365 7.0049 7.0049 7.0250 7.0250 7.1800 7.1800 7.1889 7.1889 7.7161 7.7161 7.7243 7.7243 10.6757 10.6757 10.6922 10.6922 11.4211 11.4211 11.4280 11.4280 12.0095 12.0095 k = 0.4611 0.3560 0.1409 ( 5832 PWs) bands (ev): -4.6050 -4.6050 -4.6024 -4.6024 -4.3838 -4.3838 -4.3814 -4.3814 -3.2194 -3.2194 -3.2151 -3.2151 3.3466 3.3466 3.3476 3.3476 4.2746 4.2746 4.2901 4.2901 4.8060 4.8060 4.8106 4.8106 5.5310 5.5310 5.5508 5.5508 5.7830 5.7830 5.8044 5.8044 6.1392 6.1392 6.1700 6.1700 7.0291 7.0291 7.0365 7.0365 7.2011 7.2011 7.2211 7.2211 7.6952 7.6952 7.7049 7.7049 10.6040 10.6040 10.6214 10.6214 11.4505 11.4505 11.4561 11.4561 11.9872 11.9872 k = 0.4556 0.3657 0.1409 ( 5830 PWs) bands (ev): -4.6002 -4.6002 -4.5971 -4.5971 -4.3828 -4.3828 -4.3801 -4.3801 -3.2157 -3.2157 -3.2109 -3.2109 3.3626 3.3626 3.3637 3.3637 4.2866 4.2866 4.3045 4.3045 4.7997 4.7997 4.8045 4.8045 5.5291 5.5291 5.5512 5.5512 5.7862 5.7862 5.8101 5.8101 6.0780 6.0780 6.1069 6.1069 7.0311 7.0311 7.0340 7.0340 7.2344 7.2344 7.2629 7.2629 7.6748 7.6748 7.6860 7.6860 10.5308 10.5308 10.5491 10.5491 11.4698 11.4698 11.4743 11.4743 11.9725 11.9725 k = 0.4500 0.3753 0.1409 ( 5834 PWs) bands (ev): -4.5947 -4.5947 -4.5913 -4.5913 -4.3817 -4.3817 -4.3787 -4.3787 -3.2116 -3.2116 -3.2063 -3.2063 3.3804 3.3804 3.3816 3.3816 4.3004 4.3004 4.3207 4.3207 4.7921 4.7921 4.7968 4.7968 5.5254 5.5254 5.5496 5.5496 5.7893 5.7893 5.8156 5.8156 6.0223 6.0223 6.0489 6.0489 7.0137 7.0137 7.0231 7.0231 7.2751 7.2751 7.3083 7.3083 7.6562 7.6562 7.6687 7.6687 10.4571 10.4571 10.4762 10.4762 11.4757 11.4757 11.4792 11.4792 11.9691 11.9691 k = 0.4444 0.3849 0.1409 ( 5830 PWs) bands (ev): -4.5887 -4.5887 -4.5849 -4.5849 -4.3806 -4.3806 -4.3772 -4.3772 -3.2072 -3.2072 -3.2012 -3.2012 3.4001 3.4001 3.4013 3.4013 4.3161 4.3161 4.3389 4.3389 4.7829 4.7829 4.7874 4.7874 5.5194 5.5194 5.5451 5.5451 5.7914 5.7914 5.8201 5.8201 5.9745 5.9745 5.9980 5.9980 6.9870 6.9870 7.0005 7.0005 7.3185 7.3185 7.3540 7.3540 7.6401 7.6401 7.6540 7.6540 10.3833 10.3833 10.4034 10.4034 11.4661 11.4661 11.4695 11.4695 11.9791 11.9791 k = 0.4389 0.3945 0.1409 ( 5830 PWs) bands (ev): -4.5823 -4.5823 -4.5781 -4.5781 -4.3795 -4.3795 -4.3757 -4.3757 -3.2023 -3.2023 -3.1958 -3.1958 3.4213 3.4213 3.4226 3.4226 4.3337 4.3337 4.3590 4.3590 4.7720 4.7720 4.7759 4.7759 5.5103 5.5103 5.5371 5.5371 5.7906 5.7906 5.8214 5.8214 5.9376 5.9376 5.9576 5.9576 6.9525 6.9525 6.9684 6.9684 7.3618 7.3618 7.3981 7.3981 7.6273 7.6273 7.6424 7.6424 10.3101 10.3101 10.3313 10.3313 11.4422 11.4422 11.4461 11.4461 12.0017 12.0017 k = 0.4333 0.4041 0.1409 ( 5822 PWs) bands (ev): -4.5754 -4.5754 -4.5708 -4.5708 -4.3784 -4.3784 -4.3742 -4.3742 -3.1971 -3.1971 -3.1901 -3.1901 3.4441 3.4441 3.4453 3.4453 4.3531 4.3531 4.3811 4.3811 4.7590 4.7590 4.7622 4.7622 5.4976 5.4976 5.5249 5.5249 5.7847 5.7847 5.8161 5.8161 5.9151 5.9151 5.9318 5.9318 6.9109 6.9109 6.9283 6.9283 7.4035 7.4035 7.4396 7.4396 7.6181 7.6181 7.6343 7.6343 10.2379 10.2379 10.2605 10.2605 11.4070 11.4070 11.4118 11.4118 12.0338 12.0338 k = 0.4278 0.4138 0.1409 ( 5834 PWs) bands (ev): -4.5682 -4.5682 -4.5631 -4.5631 -4.3774 -4.3774 -4.3728 -4.3728 -3.1916 -3.1916 -3.1841 -3.1841 3.4681 3.4681 3.4693 3.4693 4.3745 4.3745 4.4052 4.4052 4.7440 4.7440 4.7460 4.7460 5.4812 5.4812 5.5087 5.5087 5.7734 5.7734 5.8031 5.8031 5.9074 5.9074 5.9225 5.9225 6.8629 6.8629 6.8812 6.8812 7.4429 7.4429 7.4781 7.4781 7.6123 7.6123 7.6299 7.6299 10.1674 10.1674 10.1912 10.1912 11.3637 11.3637 11.3699 11.3699 12.0717 12.0717 k = 0.4222 0.4234 0.1409 ( 5838 PWs) bands (ev): -4.5606 -4.5606 -4.5550 -4.5550 -4.3765 -4.3765 -4.3715 -4.3715 -3.1858 -3.1858 -3.1779 -3.1779 3.4932 3.4932 3.4944 3.4944 4.3977 4.3977 4.4311 4.4311 4.7266 4.7266 4.7272 4.7272 5.4615 5.4615 5.4890 5.4890 5.7600 5.7600 5.7865 5.7865 5.9110 5.9110 5.9255 5.9255 6.8094 6.8094 6.8281 6.8281 7.4796 7.4796 7.5131 7.5131 7.6098 7.6098 7.6291 7.6291 10.0987 10.0987 10.1240 10.1240 11.3155 11.3155 11.3232 11.3232 12.1120 12.1120 k = 0.4167 0.4330 0.1409 ( 5826 PWs) bands (ev): -4.5528 -4.5528 -4.5467 -4.5467 -4.3757 -4.3757 -4.3702 -4.3702 -3.1799 -3.1799 -3.1715 -3.1715 3.5192 3.5192 3.5203 3.5203 4.4228 4.4228 4.4590 4.4590 4.7059 4.7059 4.7069 4.7069 5.4396 5.4396 5.4672 5.4672 5.7476 5.7476 5.7708 5.7708 5.9216 5.9216 5.9356 5.9356 6.7512 6.7512 6.7698 6.7698 7.5132 7.5132 7.5439 7.5439 7.6102 7.6102 7.6319 7.6319 10.0323 10.0323 10.0592 10.0592 11.2646 11.2646 11.2737 11.2737 12.1514 12.1514 k = 0.4111 0.4426 0.1409 ( 5832 PWs) bands (ev): -4.5448 -4.5448 -4.5382 -4.5382 -4.3751 -4.3751 -4.3692 -4.3692 -3.1739 -3.1739 -3.1650 -3.1650 3.5458 3.5458 3.5467 3.5467 4.4495 4.4495 4.4884 4.4884 4.6821 4.6821 4.6851 4.6851 5.4168 5.4168 5.4449 5.4449 5.7376 5.7376 5.7579 5.7579 5.9364 5.9364 5.9496 5.9496 6.6890 6.6890 6.7074 6.7074 7.5433 7.5433 7.5699 7.5699 7.6133 7.6133 7.6386 7.6386 9.9685 9.9685 9.9971 9.9971 11.2125 11.2125 11.2233 11.2233 12.1855 12.1856 k = 0.4056 0.4523 0.1409 ( 5840 PWs) bands (ev): -4.5366 -4.5366 -4.5294 -4.5294 -4.3747 -4.3747 -4.3682 -4.3682 -3.1677 -3.1677 -3.1585 -3.1585 3.5726 3.5726 3.5734 3.5734 4.4776 4.4776 4.5188 4.5188 4.6563 4.6563 4.6620 4.6620 5.3944 5.3944 5.4234 5.4234 5.7301 5.7301 5.7482 5.7482 5.9540 5.9540 5.9659 5.9659 6.6237 6.6237 6.6417 6.6417 7.5692 7.5692 7.5904 7.5904 7.6193 7.6193 7.6494 7.6494 9.9074 9.9074 9.9378 9.9378 11.1606 11.1606 11.1730 11.1730 12.2084 12.2084 k = 0.4000 0.4619 0.1409 ( 5834 PWs) bands (ev): -4.5284 -4.5284 -4.5206 -4.5206 -4.3746 -4.3746 -4.3675 -4.3675 -3.1616 -3.1616 -3.1520 -3.1520 3.5994 3.5994 3.6001 3.6001 4.5066 4.5066 4.5485 4.5485 4.6296 4.6296 4.6396 4.6396 5.3734 5.3734 5.4038 5.4038 5.7248 5.7248 5.7412 5.7412 5.9731 5.9731 5.9836 5.9836 6.5560 6.5560 6.5734 6.5734 7.5893 7.5893 7.6056 7.6056 7.6295 7.6295 7.6638 7.6638 9.8494 9.8494 9.8816 9.8816 11.1098 11.1098 11.1238 11.1238 12.2177 12.2177 k = 0.3944 0.4715 0.1409 ( 5818 PWs) bands (ev): -4.5201 -4.5201 -4.5117 -4.5117 -4.3747 -4.3747 -4.3670 -4.3670 -3.1556 -3.1556 -3.1456 -3.1456 3.6258 3.6258 3.6263 3.6263 4.5339 4.5339 4.5685 4.5685 4.6047 4.6047 4.6272 4.6272 5.3547 5.3547 5.3867 5.3867 5.7214 5.7214 5.7366 5.7366 5.9931 5.9931 6.0020 6.0020 6.4868 6.4868 6.5034 6.5034 7.6028 7.6028 7.6171 7.6171 7.6443 7.6443 7.6799 7.6799 9.7946 9.7946 9.8287 9.8287 11.0609 11.0609 11.0766 11.0766 12.2191 12.2191 k = 0.3889 0.4811 0.1409 ( 5818 PWs) bands (ev): -4.5119 -4.5119 -4.5028 -4.5028 -4.3751 -4.3751 -4.3668 -4.3668 -3.1497 -3.1497 -3.1393 -3.1393 3.6514 3.6514 3.6517 3.6517 4.5458 4.5458 4.5603 4.5603 4.5960 4.5960 4.6436 4.6436 5.3384 5.3384 5.3723 5.3723 5.7199 5.7199 5.7340 5.7340 6.0131 6.0131 6.0205 6.0205 6.4170 6.4170 6.4327 6.4327 7.6118 7.6118 7.6264 7.6264 7.6613 7.6613 7.6960 7.6960 9.7433 9.7433 9.7793 9.7793 11.0145 11.0145 11.0318 11.0318 12.2178 12.2178 k = 0.3833 0.4907 0.1409 ( 5818 PWs) bands (ev): -4.5039 -4.5039 -4.4940 -4.4940 -4.3759 -4.3759 -4.3668 -4.3668 -3.1440 -3.1440 -3.1333 -3.1333 3.6756 3.6756 3.6758 3.6758 4.5281 4.5281 4.5374 4.5374 4.6181 4.6181 4.6759 4.6759 5.3249 5.3249 5.3606 5.3606 5.7202 5.7202 5.7334 5.7334 6.0323 6.0323 6.0382 6.0382 6.3475 6.3475 6.3621 6.3621 7.6184 7.6184 7.6344 7.6344 7.6783 7.6783 7.7109 7.7109 9.6957 9.6957 9.7336 9.7336 10.9712 10.9712 10.9901 10.9901 12.2160 12.2160 k = 0.3778 0.5004 0.1409 ( 5818 PWs) bands (ev): -4.4962 -4.4962 -4.4853 -4.4853 -4.3770 -4.3770 -4.3670 -4.3670 -3.1386 -3.1386 -3.1277 -3.1277 3.6982 3.6982 3.6982 3.6982 4.5027 4.5027 4.5121 4.5121 4.6494 4.6494 4.7121 4.7121 5.3142 5.3142 5.3517 5.3517 5.7222 5.7222 5.7346 5.7346 6.0491 6.0491 6.0537 6.0537 6.2802 6.2802 6.2935 6.2935 7.6239 7.6239 7.6416 7.6416 7.6940 7.6940 7.7242 7.7242 9.6520 9.6520 9.6917 9.6917 10.9314 10.9314 10.9518 10.9518 12.2147 12.2147 k = 0.3722 0.5100 0.1409 ( 5818 PWs) bands (ev): -4.4887 -4.4887 -4.4769 -4.4769 -4.3785 -4.3785 -4.3675 -4.3675 -3.1336 -3.1336 -3.1224 -3.1224 3.7184 3.7184 3.7185 3.7185 4.4775 4.4775 4.4877 4.4877 4.6821 4.6821 4.7490 4.7490 5.3063 5.3063 5.3455 5.3455 5.7261 5.7261 5.7377 5.7377 6.0602 6.0602 6.0640 6.0640 6.2186 6.2186 6.2300 6.2300 7.6286 7.6286 7.6482 7.6482 7.7079 7.7079 7.7357 7.7357 9.6124 9.6124 9.6538 9.6538 10.8954 10.8954 10.9172 10.9172 12.2141 12.2141 k = 0.3667 0.5196 0.1409 ( 5818 PWs) bands (ev): -4.4817 -4.4817 -4.4688 -4.4688 -4.3803 -4.3803 -4.3682 -4.3682 -3.1290 -3.1290 -3.1176 -3.1176 3.7360 3.7360 3.7363 3.7363 4.4546 4.4546 4.4655 4.4655 4.7144 4.7144 4.7852 4.7852 5.3011 5.3011 5.3417 5.3417 5.7320 5.7320 5.7427 5.7427 6.0563 6.0563 6.0607 6.0607 6.1725 6.1725 6.1805 6.1805 7.6327 7.6327 7.6541 7.6541 7.7199 7.7199 7.7453 7.7453 9.5773 9.5773 9.6203 9.6203 10.8636 10.8636 10.8867 10.8867 12.2141 12.2142 k = 0.3611 0.5292 0.1409 ( 5822 PWs) bands (ev): -4.4753 -4.4753 -4.4611 -4.4611 -4.3825 -4.3825 -4.3691 -4.3691 -3.1249 -3.1249 -3.1134 -3.1134 3.7507 3.7507 3.7511 3.7511 4.4349 4.4349 4.4464 4.4464 4.7448 4.7448 4.8195 4.8195 5.2985 5.2985 5.3404 5.3404 5.7400 5.7400 5.7498 5.7498 6.0250 6.0250 6.0313 6.0313 6.1548 6.1548 6.1584 6.1584 7.6363 7.6363 7.6595 7.6595 7.7298 7.7298 7.7529 7.7529 9.5468 9.5468 9.5912 9.5912 10.8362 10.8362 10.8605 10.8605 12.2149 12.2149 k = 0.3556 0.5389 0.1409 ( 5818 PWs) bands (ev): -4.4697 -4.4697 -4.4540 -4.4540 -4.3848 -4.3848 -4.3701 -4.3701 -3.1215 -3.1215 -3.1098 -3.1098 3.7623 3.7623 3.7627 3.7627 4.4190 4.4190 4.4308 4.4308 4.7722 4.7722 4.8503 4.8503 5.2984 5.2984 5.3412 5.3412 5.7502 5.7502 5.7589 5.7589 5.9763 5.9763 5.9830 5.9830 6.1561 6.1561 6.1570 6.1570 7.6395 7.6395 7.6644 7.6644 7.7376 7.7376 7.7586 7.7586 9.5213 9.5213 9.5669 9.5669 10.8135 10.8135 10.8387 10.8387 12.2160 12.2160 k = 0.3500 0.5485 0.1409 ( 5804 PWs) bands (ev): -4.4649 -4.4649 -4.4478 -4.4478 -4.3873 -4.3873 -4.3710 -4.3710 -3.1187 -3.1187 -3.1069 -3.1069 3.7707 3.7707 3.7711 3.7711 4.4070 4.4070 4.4192 4.4192 4.7954 4.7954 4.8764 4.8764 5.3005 5.3005 5.3438 5.3438 5.7626 5.7626 5.7704 5.7704 5.9254 5.9254 5.9316 5.9316 6.1620 6.1620 6.1626 6.1626 7.6422 7.6422 7.6687 7.6687 7.7434 7.7434 7.7625 7.7625 9.5010 9.5010 9.5476 9.5476 10.7955 10.7955 10.8215 10.8215 12.2174 12.2174 k = 0.3444 0.5581 0.1409 ( 5804 PWs) bands (ev): -4.4612 -4.4612 -4.4427 -4.4427 -4.3896 -4.3896 -4.3719 -4.3719 -3.1167 -3.1167 -3.1048 -3.1048 3.7761 3.7761 3.7765 3.7765 4.3990 4.3990 4.4113 4.4113 4.8131 4.8131 4.8963 4.8963 5.3039 5.3039 5.3474 5.3474 5.7774 5.7774 5.7841 5.7841 5.8790 5.8790 5.8847 5.8847 6.1675 6.1675 6.1689 6.1689 7.6444 7.6444 7.6722 7.6722 7.7473 7.7473 7.7649 7.7649 9.4862 9.4862 9.5335 9.5335 10.7826 10.7826 10.8092 10.8092 12.2188 12.2188 k = 0.3389 0.5677 0.1409 ( 5796 PWs) bands (ev): -4.4589 -4.4589 -4.4392 -4.4392 -4.3913 -4.3913 -4.3725 -4.3725 -3.1154 -3.1154 -3.1035 -3.1035 3.7789 3.7789 3.7793 3.7793 4.3946 4.3946 4.4070 4.4070 4.8243 4.8243 4.9088 4.9088 5.3072 5.3072 5.3506 5.3506 5.7945 5.7945 5.8002 5.8002 5.8410 5.8410 5.8466 5.8466 6.1713 6.1713 6.1732 6.1732 7.6460 7.6460 7.6747 7.6747 7.7494 7.7494 7.7659 7.7659 9.4771 9.4771 9.5249 9.5249 10.7747 10.7747 10.8017 10.8017 12.2198 12.2198 k = 0.3333 0.5774 0.1409 ( 5802 PWs) bands (ev): -4.4581 -4.4581 -4.4380 -4.4380 -4.3919 -4.3919 -4.3727 -4.3727 -3.1150 -3.1150 -3.1030 -3.1030 3.7797 3.7797 3.7801 3.7801 4.3932 4.3932 4.4057 4.4057 4.8281 4.8281 4.9131 4.9131 5.3086 5.3086 5.3520 5.3520 5.8130 5.8130 5.8150 5.8150 5.8155 5.8155 5.8235 5.8235 6.1726 6.1726 6.1747 6.1747 7.6466 7.6466 7.6757 7.6757 7.7500 7.7500 7.7661 7.7661 9.4741 9.4741 9.5220 9.5220 10.7721 10.7721 10.7991 10.7991 12.2202 12.2202 k = 0.3333 0.5774 0.1409 ( 5802 PWs) bands (ev): -4.4581 -4.4581 -4.4380 -4.4380 -4.3919 -4.3919 -4.3727 -4.3727 -3.1150 -3.1150 -3.1030 -3.1030 3.7797 3.7797 3.7801 3.7801 4.3932 4.3932 4.4057 4.4057 4.8281 4.8281 4.9131 4.9131 5.3086 5.3086 5.3520 5.3520 5.8130 5.8130 5.8150 5.8150 5.8155 5.8155 5.8235 5.8235 6.1726 6.1726 6.1747 6.1747 7.6466 7.6466 7.6757 7.6757 7.7500 7.7500 7.7661 7.7661 9.4741 9.4741 9.5220 9.5220 10.7721 10.7721 10.7991 10.7991 12.2202 12.2202 k = 0.3277 0.5676 0.1409 ( 5794 PWs) bands (ev): -4.4590 -4.4590 -4.4393 -4.4393 -4.3912 -4.3912 -4.3725 -4.3725 -3.1154 -3.1154 -3.1035 -3.1035 3.7791 3.7791 3.7795 3.7795 4.3944 4.3944 4.4068 4.4068 4.8240 4.8240 4.9085 4.9085 5.3069 5.3069 5.3503 5.3503 5.7998 5.7998 5.8054 5.8054 5.8362 5.8362 5.8419 5.8419 6.1712 6.1712 6.1731 6.1731 7.6457 7.6457 7.6744 7.6744 7.7495 7.7495 7.7662 7.7662 9.4773 9.4773 9.5251 9.5251 10.7748 10.7748 10.8018 10.8018 12.2197 12.2197 k = 0.3220 0.5578 0.1409 ( 5802 PWs) bands (ev): -4.4616 -4.4616 -4.4432 -4.4432 -4.3893 -4.3893 -4.3718 -4.3718 -3.1168 -3.1168 -3.1050 -3.1050 3.7778 3.7778 3.7783 3.7783 4.3973 4.3973 4.4096 4.4096 4.8117 4.8117 4.8948 4.8948 5.3018 5.3018 5.3450 5.3450 5.7992 5.7992 5.8055 5.8055 5.8608 5.8608 5.8667 5.8667 6.1670 6.1670 6.1684 6.1684 7.6428 7.6428 7.6700 7.6700 7.7487 7.7487 7.7668 7.7668 9.4871 9.4871 9.5344 9.5344 10.7832 10.7832 10.8097 10.8097 12.2181 12.2181 k = 0.3164 0.5480 0.1409 ( 5802 PWs) bands (ev): -4.4661 -4.4661 -4.4493 -4.4493 -4.3866 -4.3866 -4.3706 -4.3706 -3.1192 -3.1192 -3.1074 -3.1074 3.7765 3.7765 3.7770 3.7770 4.4012 4.4012 4.4135 4.4135 4.7915 4.7915 4.8722 4.8722 5.2948 5.2948 5.3373 5.3373 5.8104 5.8104 5.8166 5.8166 5.8874 5.8874 5.8943 5.8943 6.1608 6.1608 6.1609 6.1609 7.6368 7.6368 7.6618 7.6618 7.7481 7.7481 7.7686 7.7686 9.5037 9.5037 9.5501 9.5501 10.7973 10.7973 10.8231 10.8231 12.2152 12.2152 k = 0.3107 0.5382 0.1409 ( 5802 PWs) bands (ev): -4.4723 -4.4723 -4.4571 -4.4571 -4.3837 -4.3837 -4.3693 -4.3693 -3.1225 -3.1225 -3.1108 -3.1108 3.7758 3.7758 3.7764 3.7764 4.4055 4.4055 4.4177 4.4177 4.7640 4.7640 4.8413 4.8413 5.2878 5.2878 5.3289 5.3289 5.8303 5.8303 5.8355 5.8355 5.9154 5.9154 5.9239 5.9239 6.1520 6.1520 6.1539 6.1539 7.6271 7.6271 7.6495 7.6495 7.7484 7.7484 7.7719 7.7719 9.5270 9.5270 9.5721 9.5721 10.8172 10.8172 10.8419 10.8419 12.2109 12.2110 k = 0.3051 0.5284 0.1409 ( 5812 PWs) bands (ev): -4.4802 -4.4802 -4.4664 -4.4664 -4.3808 -4.3808 -4.3678 -4.3678 -3.1267 -3.1267 -3.1152 -3.1152 3.7762 3.7762 3.7768 3.7768 4.4098 4.4098 4.4218 4.4218 4.7303 4.7303 4.8034 4.8034 5.2827 5.2827 5.3216 5.3216 5.8555 5.8555 5.8583 5.8583 5.9429 5.9429 5.9530 5.9530 6.1440 6.1440 6.1492 6.1492 7.6133 7.6133 7.6329 7.6329 7.7502 7.7502 7.7766 7.7766 9.5570 9.5570 9.6007 9.6007 10.8429 10.8429 10.8662 10.8662 12.2054 12.2054 k = 0.2994 0.5186 0.1409 ( 5820 PWs) bands (ev): -4.4895 -4.4895 -4.4770 -4.4770 -4.3782 -4.3782 -4.3664 -4.3664 -3.1319 -3.1319 -3.1206 -3.1206 3.7779 3.7779 3.7786 3.7786 4.4135 4.4135 4.4254 4.4254 4.6916 4.6916 4.7601 4.7601 5.2802 5.2802 5.3165 5.3165 5.8820 5.8820 5.8827 5.8827 5.9659 5.9659 5.9769 5.9769 6.1416 6.1416 6.1522 6.1522 7.5951 7.5951 7.6124 7.6124 7.7533 7.7533 7.7824 7.7824 9.5938 9.5938 9.6355 9.6355 10.8745 10.8745 10.8961 10.8961 12.1987 12.1987 k = 0.2938 0.5089 0.1409 ( 5828 PWs) bands (ev): -4.5003 -4.5003 -4.4888 -4.4888 -4.3761 -4.3761 -4.3653 -4.3653 -3.1379 -3.1379 -3.1269 -3.1269 3.7813 3.7813 3.7821 3.7821 4.4167 4.4167 4.4284 4.4284 4.6494 4.6494 4.7130 4.7130 5.2806 5.2806 5.3141 5.3141 5.9028 5.9028 5.9083 5.9083 5.9794 5.9794 5.9910 5.9910 6.1514 6.1514 6.1688 6.1688 7.5727 7.5727 7.5882 7.5882 7.7577 7.7577 7.7890 7.7890 9.6371 9.6371 9.6766 9.6766 10.9120 10.9120 10.9314 10.9314 12.1911 12.1911 k = 0.2881 0.4991 0.1409 ( 5832 PWs) bands (ev): -4.5125 -4.5125 -4.5018 -4.5018 -4.3746 -4.3746 -4.3646 -4.3646 -3.1448 -3.1448 -3.1341 -3.1341 3.7863 3.7863 3.7871 3.7871 4.4190 4.4190 4.4306 4.4306 4.6052 4.6052 4.6639 4.6639 5.2837 5.2837 5.3144 5.3144 5.9145 5.9145 5.9251 5.9251 5.9859 5.9859 5.9989 5.9989 6.1765 6.1765 6.2003 6.2003 7.5466 7.5466 7.5606 7.5606 7.7631 7.7631 7.7961 7.7961 9.6868 9.6868 9.7237 9.7237 10.9553 10.9553 10.9722 10.9722 12.1827 12.1827 k = 0.2825 0.4893 0.1409 ( 5840 PWs) bands (ev): -4.5260 -4.5260 -4.5160 -4.5160 -4.3738 -4.3738 -4.3643 -4.3643 -3.1525 -3.1525 -3.1421 -3.1421 3.7929 3.7929 3.7935 3.7935 4.4205 4.4205 4.4319 4.4319 4.5603 4.5603 4.6142 4.6142 5.2890 5.2890 5.3170 5.3170 5.9100 5.9100 5.9213 5.9213 5.9996 5.9996 6.0112 6.0112 6.2134 6.2134 6.2419 6.2419 7.5169 7.5169 7.5300 7.5300 7.7693 7.7693 7.8035 7.8035 9.7425 9.7425 9.7766 9.7766 11.0043 11.0043 11.0183 11.0183 12.1739 12.1739 k = 0.2768 0.4795 0.1409 ( 5836 PWs) bands (ev): -4.5408 -4.5408 -4.5313 -4.5313 -4.3737 -4.3737 -4.3646 -4.3646 -3.1609 -3.1609 -3.1509 -3.1509 3.8007 3.8007 3.8012 3.8012 4.4213 4.4213 4.4325 4.4325 4.5163 4.5163 4.5656 4.5656 5.2961 5.2961 5.3217 5.3217 5.8902 5.8902 5.8992 5.8992 6.0224 6.0224 6.0310 6.0310 6.2567 6.2567 6.2886 6.2886 7.4841 7.4841 7.4967 7.4967 7.7761 7.7761 7.8112 7.8112 9.8038 9.8038 9.8348 9.8348 11.0589 11.0589 11.0696 11.0696 12.1649 12.1649 k = 0.2712 0.4697 0.1409 ( 5840 PWs) bands (ev): -4.5568 -4.5568 -4.5478 -4.5478 -4.3745 -4.3745 -4.3656 -4.3656 -3.1698 -3.1698 -3.1603 -3.1603 3.8094 3.8094 3.8094 3.8094 4.4208 4.4208 4.4317 4.4317 4.4752 4.4752 4.5201 4.5201 5.3042 5.3042 5.3278 5.3278 5.8611 5.8611 5.8680 5.8680 6.0483 6.0483 6.0548 6.0548 6.3027 6.3027 6.3371 6.3371 7.4489 7.4489 7.4613 7.4613 7.7835 7.7835 7.8191 7.8191 9.8702 9.8702 9.8979 9.8979 11.1188 11.1188 11.1257 11.1257 12.1558 12.1558 k = 0.2655 0.4599 0.1409 ( 5838 PWs) bands (ev): -4.5741 -4.5741 -4.5654 -4.5654 -4.3761 -4.3761 -4.3674 -4.3674 -3.1793 -3.1793 -3.1702 -3.1702 3.8174 3.8174 3.8181 3.8181 4.4142 4.4142 4.4270 4.4270 4.4435 4.4435 4.4818 4.4818 5.3129 5.3129 5.3347 5.3347 5.8265 5.8265 5.8318 5.8318 6.0745 6.0745 6.0802 6.0802 6.3491 6.3491 6.3852 6.3852 7.4118 7.4118 7.4242 7.4242 7.7913 7.7913 7.8272 7.8272 9.9412 9.9412 9.9654 9.9654 11.1836 11.1836 11.1865 11.1865 12.1469 12.1469 k = 0.2599 0.4501 0.1409 ( 5838 PWs) bands (ev): -4.5927 -4.5927 -4.5841 -4.5841 -4.3786 -4.3786 -4.3699 -4.3699 -3.1891 -3.1891 -3.1806 -3.1806 3.8243 3.8243 3.8260 3.8260 4.3893 4.3893 4.4097 4.4097 4.4351 4.4351 4.4612 4.4612 5.3216 5.3216 5.3419 5.3419 5.7885 5.7885 5.7925 5.7925 6.1004 6.1004 6.1060 6.1060 6.3940 6.3940 6.4313 6.4313 7.3737 7.3737 7.3864 7.3864 7.7997 7.7997 7.8355 7.8355 10.0160 10.0160 10.0365 10.0365 11.2514 11.2514 11.2530 11.2530 12.1382 12.1382 k = 0.2542 0.4404 0.1409 ( 5830 PWs) bands (ev): -4.6125 -4.6125 -4.6041 -4.6041 -4.3821 -4.3821 -4.3734 -4.3734 -3.1993 -3.1993 -3.1913 -3.1913 3.8289 3.8289 3.8320 3.8320 4.3604 4.3604 4.3811 4.3811 4.4376 4.4376 4.4585 4.4585 5.3296 5.3296 5.3488 5.3488 5.7482 5.7482 5.7511 5.7511 6.1256 6.1256 6.1318 6.1318 6.4359 6.4359 6.4738 6.4738 7.3356 7.3356 7.3487 7.3487 7.8086 7.8086 7.8441 7.8441 10.0937 10.0937 10.1106 10.1106 11.3199 11.3199 11.3263 11.3263 12.1294 12.1294 k = 0.2486 0.4306 0.1409 ( 5832 PWs) bands (ev): -4.6334 -4.6334 -4.6252 -4.6252 -4.3866 -4.3866 -4.3777 -4.3777 -3.2096 -3.2096 -3.2022 -3.2022 3.8301 3.8301 3.8349 3.8349 4.3355 4.3355 4.3528 4.3528 4.4445 4.4445 4.4639 4.4639 5.3364 5.3364 5.3548 5.3548 5.7064 5.7064 5.7085 5.7085 6.1498 6.1498 6.1572 6.1572 6.4734 6.4734 6.5113 6.5113 7.2989 7.2989 7.3125 7.3125 7.8182 7.8182 7.8532 7.8532 10.1735 10.1735 10.1868 10.1868 11.3914 11.3914 11.4028 11.4028 12.1204 12.1204 k = 0.2429 0.4208 0.1409 ( 5828 PWs) bands (ev): -4.6556 -4.6556 -4.6475 -4.6475 -4.3921 -4.3921 -4.3831 -4.3831 -3.2200 -3.2200 -3.2131 -3.2131 3.8270 3.8270 3.8337 3.8337 4.3158 4.3158 4.3288 4.3288 4.4558 4.4558 4.4746 4.4746 5.3415 5.3415 5.3593 5.3593 5.6637 5.6637 5.6650 5.6650 6.1729 6.1729 6.1819 6.1819 6.5049 6.5049 6.5422 6.5422 7.2651 7.2651 7.2793 7.2793 7.8287 7.8287 7.8629 7.8629 10.2543 10.2543 10.2639 10.2639 11.4653 11.4653 11.4816 11.4816 12.1109 12.1109 k = 0.2373 0.4110 0.1409 ( 5818 PWs) bands (ev): -4.6790 -4.6790 -4.6710 -4.6710 -4.3986 -4.3986 -4.3894 -4.3894 -3.2302 -3.2302 -3.2241 -3.2241 3.8193 3.8193 3.8279 3.8279 4.3011 4.3011 4.3101 4.3101 4.4726 4.4726 4.4909 4.4909 5.3444 5.3444 5.3617 5.3617 5.6205 5.6205 5.6213 5.6213 6.1947 6.1947 6.2057 6.2057 6.5291 6.5291 6.5651 6.5651 7.2362 7.2362 7.2506 7.2506 7.8401 7.8401 7.8734 7.8734 10.3349 10.3349 10.3410 10.3410 11.5406 11.5406 11.5616 11.5616 12.1006 12.1006 k = 0.2316 0.4012 0.1409 ( 5818 PWs) bands (ev): -4.7035 -4.7035 -4.6956 -4.6956 -4.4061 -4.4061 -4.3968 -4.3968 -3.2404 -3.2404 -3.2349 -3.2349 3.8073 3.8073 3.8174 3.8174 4.2905 4.2905 4.2961 4.2961 4.4957 4.4957 4.5132 4.5132 5.3447 5.3447 5.3617 5.3617 5.5774 5.5774 5.5777 5.5777 6.2146 6.2146 6.2280 6.2280 6.5449 6.5449 6.5786 6.5786 7.2139 7.2139 7.2283 7.2283 7.8527 7.8527 7.8849 7.8849 10.4140 10.4140 10.4169 10.4169 11.6162 11.6162 11.6413 11.6413 12.0895 12.0895 k = 0.2260 0.3914 0.1409 ( 5826 PWs) bands (ev): -4.7292 -4.7292 -4.7213 -4.7213 -4.4148 -4.4148 -4.4053 -4.4053 -3.2502 -3.2502 -3.2454 -3.2454 3.7918 3.7918 3.8029 3.8029 4.2827 4.2827 4.2859 4.2859 4.5256 4.5256 4.5422 4.5422 5.3418 5.3418 5.3585 5.3585 5.5346 5.5346 5.5349 5.5349 6.2320 6.2320 6.2481 6.2481 6.5520 6.5520 6.5825 6.5825 7.1996 7.1996 7.2134 7.2134 7.8667 7.8667 7.8976 7.8976 10.4903 10.4903 10.4903 10.4903 11.6907 11.6907 11.7185 11.7185 12.0782 12.0782 k = 0.2203 0.3816 0.1409 ( 5838 PWs) bands (ev): -4.7559 -4.7559 -4.7482 -4.7482 -4.4245 -4.4245 -4.4148 -4.4148 -3.2597 -3.2597 -3.2555 -3.2555 3.7738 3.7738 3.7854 3.7854 4.2767 4.2767 4.2785 4.2785 4.5625 4.5625 4.5779 4.5779 5.3355 5.3355 5.3516 5.3516 5.4926 5.4926 5.4932 5.4932 6.2453 6.2453 6.2643 6.2643 6.5517 6.5517 6.5782 6.5782 7.1934 7.1934 7.2064 7.2064 7.8822 7.8822 7.9118 7.9118 10.5600 10.5600 10.5626 10.5626 11.7620 11.7620 11.7895 11.7895 12.0688 12.0688 k = 0.2147 0.3719 0.1409 ( 5842 PWs) bands (ev): -4.7837 -4.7837 -4.7761 -4.7761 -4.4352 -4.4352 -4.4254 -4.4254 -3.2688 -3.2688 -3.2652 -3.2652 3.7545 3.7545 3.7662 3.7662 4.2717 4.2717 4.2728 4.2728 4.6059 4.6059 4.6201 4.6201 5.3252 5.3252 5.3404 5.3404 5.4521 5.4521 5.4535 5.4535 6.2524 6.2524 6.2743 6.2743 6.5470 6.5470 6.5694 6.5694 7.1946 7.1946 7.2067 7.2067 7.8995 7.8995 7.9277 7.9277 10.6249 10.6249 10.6296 10.6296 11.8264 11.8264 11.8479 11.8479 12.0657 12.0657 k = 0.2090 0.3621 0.1409 ( 5844 PWs) bands (ev): -4.8124 -4.8124 -4.8050 -4.8050 -4.4469 -4.4469 -4.4371 -4.4371 -3.2773 -3.2773 -3.2744 -3.2744 3.7348 3.7348 3.7461 3.7461 4.2673 4.2673 4.2683 4.2683 4.6552 4.6552 4.6683 4.6683 5.3106 5.3106 5.3241 5.3241 5.4135 5.4135 5.4168 5.4168 6.2502 6.2502 6.2744 6.2744 6.5425 6.5425 6.5614 6.5614 7.2015 7.2015 7.2129 7.2129 7.9188 7.9188 7.9454 7.9454 10.6841 10.6841 10.6903 10.6903 11.8775 11.8775 11.8845 11.8845 12.0761 12.0767 k = 0.2034 0.3523 0.1409 ( 5840 PWs) bands (ev): -4.8421 -4.8421 -4.8349 -4.8349 -4.4597 -4.4597 -4.4498 -4.4498 -3.2853 -3.2853 -3.2830 -3.2830 3.7157 3.7157 3.7262 3.7262 4.2634 4.2634 4.2646 4.2646 4.7096 4.7096 4.7216 4.7216 5.2911 5.2911 5.3019 5.3019 5.3778 5.3778 5.3841 5.3841 6.2361 6.2361 6.2613 6.2613 6.5431 6.5431 6.5597 6.5597 7.2122 7.2122 7.2232 7.2232 7.9400 7.9400 7.9651 7.9651 10.7369 10.7369 10.7440 10.7440 11.8953 11.8953 11.9067 11.9067 12.0836 12.0836 k = 0.1977 0.3425 0.1409 ( 5840 PWs) bands (ev): -4.8727 -4.8727 -4.8656 -4.8656 -4.4734 -4.4734 -4.4636 -4.4636 -3.2926 -3.2926 -3.2909 -3.2909 3.6977 3.6977 3.7073 3.7073 4.2597 4.2597 4.2615 4.2615 4.7679 4.7679 4.7792 4.7792 5.2667 5.2667 5.2742 5.2742 5.3455 5.3455 5.3555 5.3555 6.2092 6.2092 6.2339 6.2339 6.5514 6.5514 6.5675 6.5675 7.2251 7.2251 7.2360 7.2360 7.9633 7.9633 7.9869 7.9869 10.7828 10.7828 10.7903 10.7903 11.8880 11.8880 11.9117 11.9117 12.1041 12.1041 k = 0.1921 0.3327 0.1409 ( 5844 PWs) bands (ev): -4.9040 -4.9040 -4.8972 -4.8972 -4.4881 -4.4881 -4.4783 -4.4783 -3.2993 -3.2993 -3.2981 -3.2981 3.6813 3.6813 3.6899 3.6899 4.2564 4.2564 4.2588 4.2588 4.8289 4.8289 4.8398 4.8398 5.2379 5.2379 5.2426 5.2426 5.3169 5.3169 5.3303 5.3303 6.1713 6.1713 6.1944 6.1944 6.5674 6.5674 6.5842 6.5842 7.2388 7.2388 7.2498 7.2498 7.9886 7.9886 8.0107 8.0107 10.8219 10.8219 10.8291 10.8291 11.8715 11.8715 11.9009 11.9009 12.1282 12.1282 k = 0.1864 0.3229 0.1409 ( 5846 PWs) bands (ev): -4.9360 -4.9360 -4.9295 -4.9295 -4.5036 -4.5036 -4.4940 -4.4940 -3.3054 -3.3054 -3.3047 -3.3047 3.6670 3.6670 3.6744 3.6744 4.2535 4.2535 4.2567 4.2567 4.8906 4.8906 4.9015 4.9015 5.2063 5.2063 5.2090 5.2090 5.2916 5.2916 5.3079 5.3079 6.1254 6.1254 6.1464 6.1464 6.5896 6.5896 6.6077 6.6077 7.2525 7.2525 7.2638 7.2638 8.0157 8.0157 8.0364 8.0364 10.8542 10.8542 10.8606 10.8606 11.8510 11.8510 11.8829 11.8829 12.1466 12.1470 k = 0.1808 0.3131 0.1409 ( 5846 PWs) bands (ev): -4.9687 -4.9687 -4.9624 -4.9624 -4.5199 -4.5199 -4.5105 -4.5105 -3.3108 -3.3108 -3.3105 -3.3105 3.6550 3.6550 3.6612 3.6612 4.2511 4.2511 4.2550 4.2550 4.9501 4.9501 4.9611 4.9611 5.1737 5.1737 5.1751 5.1751 5.2708 5.2708 5.2890 5.2890 6.0745 6.0745 6.0933 6.0933 6.6164 6.6164 6.6359 6.6359 7.2656 7.2656 7.2772 7.2772 8.0444 8.0444 8.0639 8.0639 10.8802 10.8802 10.8855 10.8855 11.8286 11.8286 11.8620 11.8620 12.1560 12.1561 k = 0.1751 0.3034 0.1409 ( 5834 PWs) bands (ev): -5.0019 -5.0019 -4.9959 -4.9959 -4.5370 -4.5370 -4.5279 -4.5279 -3.3156 -3.3156 -3.3155 -3.3155 3.6456 3.6456 3.6506 3.6506 4.2492 4.2492 4.2538 4.2538 5.0014 5.0014 5.0121 5.0121 5.1420 5.1420 5.1424 5.1424 5.2582 5.2582 5.2772 5.2772 6.0213 6.0213 6.0377 6.0377 6.6463 6.6463 6.6670 6.6670 7.2782 7.2782 7.2900 7.2900 8.0744 8.0744 8.0928 8.0928 10.9005 10.9005 10.9043 10.9043 11.8057 11.8057 11.8400 11.8400 12.1561 12.1569 k = 0.1695 0.2936 0.1409 ( 5830 PWs) bands (ev): -5.0354 -5.0354 -5.0298 -5.0298 -4.5548 -4.5548 -4.5459 -4.5459 -3.3200 -3.3200 -3.3196 -3.3196 3.6390 3.6390 3.6427 3.6427 4.2478 4.2478 4.2533 4.2533 5.0337 5.0337 5.0412 5.0412 5.1137 5.1137 5.1147 5.1147 5.2625 5.2625 5.2797 5.2797 5.9683 5.9683 5.9821 5.9821 6.6782 6.6782 6.6998 6.6998 7.2902 7.2902 7.3020 7.3020 8.1053 8.1053 8.1228 8.1228 10.9157 10.9157 10.9179 10.9179 11.7828 11.7828 11.8180 11.8180 12.1478 12.1484 k = 0.1638 0.2838 0.1409 ( 5830 PWs) bands (ev): -5.0693 -5.0693 -5.0641 -5.0641 -4.5732 -4.5732 -4.5647 -4.5647 -3.3238 -3.3238 -3.3231 -3.3231 3.6352 3.6352 3.6377 3.6377 4.2470 4.2470 4.2533 4.2533 5.0349 5.0349 5.0366 5.0366 5.0931 5.0931 5.0953 5.0953 5.2904 5.2904 5.3020 5.3020 5.9185 5.9185 5.9294 5.9294 6.7110 6.7110 6.7331 6.7331 7.3023 7.3023 7.3138 7.3138 8.1367 8.1367 8.1534 8.1534 10.9266 10.9266 10.9271 10.9271 11.7603 11.7603 11.7963 11.7963 12.1328 12.1352 k = 0.1582 0.2740 0.1409 ( 5838 PWs) bands (ev): -5.1034 -5.1034 -5.0985 -5.0985 -4.5920 -4.5920 -4.5840 -4.5840 -3.3269 -3.3269 -3.3260 -3.3260 3.6343 3.6343 3.6357 3.6357 4.2469 4.2469 4.2540 4.2540 5.0106 5.0106 5.0123 5.0123 5.0759 5.0759 5.0766 5.0766 5.3335 5.3335 5.3386 5.3386 5.8760 5.8760 5.8833 5.8833 6.7439 6.7439 6.7661 6.7661 7.3150 7.3150 7.3257 7.3257 8.1682 8.1682 8.1844 8.1844 10.9327 10.9327 10.9340 10.9340 11.7384 11.7384 11.7751 11.7751 12.1125 12.1175 k = 0.1525 0.2642 0.1409 ( 5842 PWs) bands (ev): -5.1376 -5.1376 -5.1331 -5.1331 -4.6114 -4.6114 -4.6038 -4.6038 -3.3294 -3.3294 -3.3283 -3.3283 3.6363 3.6363 3.6367 3.6367 4.2475 4.2475 4.2553 4.2553 4.9778 4.9778 4.9811 4.9811 5.0544 5.0544 5.0553 5.0553 5.3752 5.3752 5.3762 5.3762 5.8467 5.8467 5.8495 5.8495 6.7761 6.7761 6.7978 6.7978 7.3292 7.3292 7.3386 7.3386 8.1994 8.1994 8.2153 8.2153 10.9355 10.9355 10.9385 10.9385 11.7169 11.7169 11.7544 11.7544 12.0873 12.0881 k = 0.1469 0.2544 0.1409 ( 5838 PWs) bands (ev): -5.1718 -5.1718 -5.1676 -5.1676 -4.6310 -4.6310 -4.6239 -4.6239 -3.3313 -3.3313 -3.3302 -3.3302 3.6407 3.6407 3.6414 3.6414 4.2488 4.2488 4.2574 4.2574 4.9424 4.9424 4.9470 4.9470 5.0300 5.0300 5.0317 5.0317 5.3982 5.3982 5.4049 5.4049 5.8359 5.8359 5.8383 5.8383 6.8068 6.8068 6.8276 6.8276 7.3458 7.3458 7.3533 7.3533 8.2300 8.2300 8.2457 8.2457 10.9363 10.9363 10.9408 10.9408 11.6959 11.6959 11.7340 11.7340 12.0587 12.0606 k = 0.1412 0.2446 0.1409 ( 5842 PWs) bands (ev): -5.2058 -5.2058 -5.2020 -5.2020 -4.6510 -4.6510 -4.6444 -4.6444 -3.3328 -3.3328 -3.3315 -3.3315 3.6478 3.6478 3.6494 3.6494 4.2509 4.2509 4.2601 4.2601 4.9058 4.9058 4.9115 4.9115 5.0052 5.0052 5.0071 5.0071 5.3992 5.3992 5.4104 5.4104 5.8490 5.8490 5.8559 5.8559 6.8357 6.8357 6.8548 6.8548 7.3657 7.3657 7.3707 7.3707 8.2598 8.2598 8.2753 8.2753 10.9357 10.9357 10.9416 10.9416 11.6750 11.6750 11.7137 11.7137 12.0273 12.0289 k = 0.1356 0.2349 0.1409 ( 5846 PWs) bands (ev): -5.2396 -5.2396 -5.2361 -5.2361 -4.6711 -4.6711 -4.6650 -4.6650 -3.3337 -3.3337 -3.3324 -3.3324 3.6579 3.6579 3.6604 3.6604 4.2537 4.2537 4.2635 4.2635 4.8684 4.8684 4.8749 4.8749 4.9807 4.9807 4.9826 4.9826 5.3790 5.3790 5.3926 5.3926 5.8871 5.8871 5.8967 5.8967 6.8623 6.8623 6.8792 6.8792 7.3895 7.3895 7.3915 7.3915 8.2884 8.2884 8.3039 8.3039 10.9343 10.9343 10.9414 10.9414 11.6541 11.6541 11.6932 11.6932 11.9918 11.9952 k = 0.1299 0.2251 0.1409 ( 5846 PWs) bands (ev): -5.2730 -5.2730 -5.2698 -5.2698 -4.6913 -4.6913 -4.6857 -4.6857 -3.3343 -3.3343 -3.3330 -3.3330 3.6710 3.6710 3.6743 3.6743 4.2573 4.2573 4.2677 4.2677 4.8304 4.8304 4.8377 4.8377 4.9571 4.9571 4.9589 4.9589 5.3440 5.3440 5.3584 5.3584 5.9417 5.9417 5.9526 5.9526 6.8870 6.8870 6.9012 6.9012 7.4163 7.4163 7.4178 7.4178 8.3156 8.3156 8.3313 8.3313 10.9326 10.9326 10.9407 10.9407 11.6328 11.6328 11.6721 11.6721 11.9544 11.9575 k = 0.1243 0.2153 0.1409 ( 5850 PWs) bands (ev): -5.3059 -5.3059 -5.3030 -5.3030 -4.7114 -4.7114 -4.7064 -4.7064 -3.3345 -3.3345 -3.3332 -3.3332 3.6870 3.6870 3.6909 3.6909 4.2617 4.2617 4.2725 4.2725 4.7923 4.7923 4.8001 4.8001 4.9345 4.9345 4.9362 4.9362 5.3007 5.3007 5.3150 5.3150 6.0043 6.0043 6.0154 6.0154 6.9107 6.9107 6.9218 6.9218 7.4455 7.4455 7.4506 7.4506 8.3414 8.3414 8.3572 8.3572 10.9309 10.9309 10.9397 10.9397 11.6109 11.6109 11.6501 11.6501 11.9142 11.9175 k = 0.1186 0.2055 0.1409 ( 5846 PWs) bands (ev): -5.3382 -5.3382 -5.3357 -5.3357 -4.7315 -4.7315 -4.7270 -4.7270 -3.3343 -3.3343 -3.3331 -3.3331 3.7058 3.7058 3.7103 3.7103 4.2668 4.2668 4.2781 4.2781 4.7543 4.7543 4.7624 4.7624 4.9130 4.9130 4.9147 4.9147 5.2532 5.2532 5.2669 5.2669 6.0684 6.0684 6.0792 6.0792 6.9348 6.9348 6.9428 6.9428 7.4789 7.4789 7.4877 7.4877 8.3656 8.3656 8.3816 8.3816 10.9294 10.9294 10.9388 10.9388 11.5881 11.5881 11.6269 11.6269 11.8708 11.8728 k = 0.1130 0.1957 0.1409 ( 5838 PWs) bands (ev): -5.3698 -5.3698 -5.3676 -5.3676 -4.7514 -4.7514 -4.7473 -4.7473 -3.3339 -3.3339 -3.3328 -3.3328 3.7273 3.7273 3.7323 3.7323 4.2727 4.2727 4.2843 4.2843 4.7166 4.7166 4.7249 4.7249 4.8927 4.8927 4.8945 4.8945 5.2039 5.2039 5.2170 5.2170 6.1290 6.1290 6.1393 6.1393 6.9617 6.9617 6.9665 6.9665 7.5162 7.5162 7.5285 7.5285 8.3882 8.3882 8.4044 8.4044 10.9284 10.9284 10.9382 10.9382 11.5640 11.5640 11.6020 11.6020 11.8285 11.8294 k = 0.1073 0.1859 0.1409 ( 5842 PWs) bands (ev): -5.4006 -5.4006 -5.3986 -5.3986 -4.7709 -4.7709 -4.7674 -4.7674 -3.3333 -3.3333 -3.3322 -3.3322 3.7513 3.7513 3.7567 3.7567 4.2794 4.2794 4.2912 4.2912 4.6796 4.6796 4.6879 4.6879 4.8735 4.8735 4.8753 4.8753 5.1544 5.1544 5.1668 5.1668 6.1824 6.1824 6.1918 6.1918 6.9939 6.9939 6.9956 6.9956 7.5569 7.5569 7.5724 7.5724 8.4092 8.4092 8.4257 8.4257 10.9280 10.9280 10.9379 10.9379 11.5383 11.5383 11.5750 11.5750 11.7790 11.7809 k = 0.1017 0.1761 0.1409 ( 5842 PWs) bands (ev): -5.4304 -5.4304 -5.4288 -5.4288 -4.7902 -4.7902 -4.7871 -4.7871 -3.3325 -3.3325 -3.3315 -3.3315 3.7778 3.7778 3.7835 3.7835 4.2868 4.2868 4.2986 4.2986 4.6434 4.6434 4.6515 4.6515 4.8553 4.8553 4.8573 4.8573 5.1056 5.1056 5.1172 5.1172 6.2254 6.2254 6.2338 6.2338 7.0327 7.0327 7.0340 7.0340 7.6003 7.6003 7.6187 7.6187 8.4288 8.4288 8.4454 8.4454 10.9282 10.9282 10.9380 10.9380 11.5107 11.5107 11.5455 11.5455 11.7277 11.7294 k = 0.0960 0.1664 0.1409 ( 5836 PWs) bands (ev): -5.4593 -5.4593 -5.4578 -5.4578 -4.8089 -4.8089 -4.8062 -4.8062 -3.3315 -3.3315 -3.3306 -3.3306 3.8065 3.8065 3.8123 3.8123 4.2948 4.2948 4.3066 4.3066 4.6083 4.6083 4.6162 4.6162 4.8381 4.8381 4.8402 4.8402 5.0580 5.0580 5.0688 5.0688 6.2561 6.2561 6.2634 6.2634 7.0795 7.0795 7.0836 7.0836 7.6456 7.6456 7.6665 7.6665 8.4470 8.4470 8.4637 8.4637 10.9289 10.9289 10.9384 10.9384 11.4810 11.4810 11.5131 11.5131 11.6722 11.6723 k = 0.0904 0.1566 0.1409 ( 5836 PWs) bands (ev): -5.4870 -5.4870 -5.4858 -5.4858 -4.8271 -4.8271 -4.8248 -4.8248 -3.3304 -3.3304 -3.3297 -3.3297 3.8372 3.8372 3.8431 3.8431 4.3035 4.3035 4.3149 4.3149 4.5746 4.5746 4.5820 4.5820 4.8217 4.8217 4.8239 4.8239 5.0121 5.0121 5.0222 5.0222 6.2738 6.2738 6.2800 6.2800 7.1365 7.1365 7.1431 7.1431 7.6923 7.6923 7.7153 7.7153 8.4638 8.4638 8.4806 8.4806 10.9301 10.9301 10.9391 10.9391 11.4488 11.4488 11.4773 11.4773 11.6187 11.6187 k = 0.0847 0.1468 0.1409 ( 5848 PWs) bands (ev): -5.5135 -5.5135 -5.5125 -5.5125 -4.8446 -4.8446 -4.8427 -4.8427 -3.3293 -3.3293 -3.3286 -3.3286 3.8697 3.8697 3.8754 3.8754 4.3126 4.3126 4.3236 4.3236 4.5424 4.5424 4.5493 4.5493 4.8060 4.8060 4.8085 4.8085 4.9682 4.9682 4.9775 4.9775 6.2793 6.2793 6.2845 6.2845 7.2030 7.2030 7.2117 7.2117 7.7395 7.7395 7.7643 7.7643 8.4796 8.4796 8.4963 8.4963 10.9317 10.9317 10.9400 10.9400 11.4138 11.4138 11.4377 11.4377 11.5655 11.5662 k = 0.0791 0.1370 0.1409 ( 5848 PWs) bands (ev): -5.5388 -5.5388 -5.5379 -5.5379 -4.8615 -4.8615 -4.8599 -4.8599 -3.3281 -3.3281 -3.3275 -3.3275 3.9036 3.9036 3.9092 3.9092 4.3222 4.3222 4.3325 4.3325 4.5121 4.5121 4.5183 4.5183 4.7910 4.7910 4.7936 4.7936 4.9265 4.9265 4.9351 4.9351 6.2742 6.2742 6.2786 6.2786 7.2773 7.2773 7.2878 7.2878 7.7867 7.7867 7.8129 7.8129 8.4943 8.4943 8.5109 8.5109 10.9334 10.9334 10.9409 10.9409 11.3758 11.3758 11.3941 11.3941 11.5124 11.5125 k = 0.0734 0.1272 0.1409 ( 5844 PWs) bands (ev): -5.5626 -5.5626 -5.5620 -5.5620 -4.8775 -4.8775 -4.8762 -4.8762 -3.3269 -3.3269 -3.3264 -3.3264 3.9388 3.9388 3.9440 3.9440 4.3318 4.3318 4.3411 4.3411 4.4842 4.4842 4.4894 4.4894 4.7766 4.7766 4.7793 4.7793 4.8873 4.8873 4.8950 4.8950 6.2607 6.2607 6.2643 6.2643 7.3575 7.3575 7.3694 7.3694 7.8333 7.8333 7.8605 7.8605 8.5082 8.5082 8.5244 8.5244 10.9351 10.9351 10.9416 10.9416 11.3348 11.3348 11.3471 11.3471 11.4591 11.4591 k = 0.0678 0.1174 0.1409 ( 5836 PWs) bands (ev): -5.5850 -5.5850 -5.5845 -5.5845 -4.8927 -4.8927 -4.8917 -4.8917 -3.3257 -3.3257 -3.3253 -3.3253 3.9748 3.9748 3.9796 3.9796 4.3412 4.3412 4.3488 4.3488 4.4592 4.4592 4.4630 4.4630 4.7625 4.7625 4.7654 4.7654 4.8506 4.8506 4.8575 4.8575 6.2405 6.2405 6.2435 6.2435 7.4414 7.4414 7.4545 7.4545 7.8787 7.8787 7.9065 7.9065 8.5213 8.5213 8.5369 8.5369 10.9368 10.9368 10.9421 10.9421 11.2911 11.2911 11.2976 11.2976 11.4079 11.4081 k = 0.0621 0.1076 0.1409 ( 5840 PWs) bands (ev): -5.6059 -5.6059 -5.6055 -5.6055 -4.9069 -4.9069 -4.9061 -4.9061 -3.3245 -3.3245 -3.3242 -3.3242 4.0112 4.0112 4.0154 4.0154 4.3494 4.3494 4.3545 4.3545 4.4386 4.4386 4.4402 4.4402 4.7488 4.7488 4.7517 4.7517 4.8165 4.8165 4.8228 4.8228 6.2156 6.2156 6.2181 6.2181 7.5272 7.5272 7.5412 7.5412 7.9223 7.9223 7.9503 7.9503 8.5338 8.5338 8.5486 8.5486 10.9381 10.9381 10.9421 10.9421 11.2457 11.2457 11.2472 11.2472 11.3586 11.3586 k = 0.0565 0.0979 0.1409 ( 5844 PWs) bands (ev): -5.6252 -5.6252 -5.6249 -5.6249 -4.9202 -4.9202 -4.9196 -4.9196 -3.3234 -3.3234 -3.3232 -3.3232 4.0476 4.0476 4.0511 4.0511 4.3543 4.3543 4.3555 4.3555 4.4231 4.4231 4.4250 4.4250 4.7353 4.7353 4.7382 4.7383 4.7853 4.7853 4.7908 4.7908 6.1875 6.1875 6.1895 6.1895 7.6132 7.6132 7.6278 7.6278 7.9638 7.9638 7.9914 7.9914 8.5456 8.5456 8.5593 8.5593 10.9390 10.9390 10.9415 10.9415 11.1972 11.1972 11.1999 11.1999 11.3114 11.3114 k = 0.0508 0.0881 0.1409 ( 5842 PWs) bands (ev): -5.6429 -5.6429 -5.6426 -5.6426 -4.9323 -4.9323 -4.9319 -4.9319 -3.3224 -3.3224 -3.3222 -3.3222 4.0834 4.0834 4.0861 4.0861 4.3495 4.3495 4.3522 4.3522 4.4155 4.4155 4.4207 4.4207 4.7219 4.7219 4.7247 4.7247 4.7570 4.7570 4.7617 4.7617 6.1576 6.1576 6.1592 6.1592 7.6979 7.6979 7.7129 7.7129 8.0028 8.0028 8.0294 8.0294 8.5567 8.5567 8.5690 8.5690 10.9392 10.9392 10.9402 10.9402 11.1492 11.1492 11.1549 11.1549 11.2659 11.2659 k = 0.0452 0.0783 0.1409 ( 5854 PWs) bands (ev): -5.6588 -5.6588 -5.6586 -5.6586 -4.9434 -4.9434 -4.9431 -4.9431 -3.3214 -3.3214 -3.3212 -3.3212 4.1180 4.1180 4.1198 4.1198 4.3382 4.3382 4.3426 4.3426 4.4179 4.4179 4.4242 4.4242 4.7084 4.7084 4.7109 4.7109 4.7320 4.7320 4.7358 4.7358 6.1271 6.1271 6.1283 6.1283 7.7799 7.7799 7.7949 7.7949 8.0388 8.0388 8.0639 8.0639 8.5671 8.5671 8.5776 8.5776 10.9380 10.9380 10.9388 10.9388 11.1041 11.1041 11.1122 11.1122 11.2222 11.2222 k = 0.0395 0.0685 0.1409 ( 5862 PWs) bands (ev): -5.6730 -5.6730 -5.6729 -5.6729 -4.9533 -4.9533 -4.9531 -4.9531 -3.3205 -3.3205 -3.3204 -3.3204 4.1508 4.1508 4.1517 4.1517 4.3249 4.3249 4.3295 4.3295 4.4264 4.4264 4.4321 4.4321 4.6945 4.6945 4.6963 4.6963 4.7107 4.7107 4.7133 4.7133 6.0971 6.0971 6.0980 6.0980 7.8576 7.8576 7.8722 7.8722 8.0718 8.0718 8.0947 8.0947 8.5763 8.5763 8.5849 8.5849 10.9348 10.9348 10.9373 10.9373 11.0632 11.0632 11.0728 11.0728 11.1809 11.1809 k = 0.0339 0.0587 0.1409 ( 5874 PWs) bands (ev): -5.6854 -5.6854 -5.6853 -5.6853 -4.9619 -4.9619 -4.9618 -4.9618 -3.3197 -3.3197 -3.3196 -3.3196 4.1810 4.1810 4.1811 4.1811 4.3120 4.3120 4.3162 4.3162 4.4377 4.4377 4.4421 4.4421 4.6800 4.6800 4.6807 4.6807 4.6934 4.6934 4.6944 4.6944 6.0687 6.0687 6.0692 6.0692 7.9295 7.9295 7.9432 7.9432 8.1017 8.1017 8.1217 8.1217 8.5843 8.5843 8.5909 8.5909 10.9306 10.9306 10.9346 10.9346 11.0274 11.0274 11.0378 11.0378 11.1427 11.1427 k = 0.0282 0.0489 0.1409 ( 5870 PWs) bands (ev): -5.6959 -5.6959 -5.6959 -5.6959 -4.9693 -4.9693 -4.9692 -4.9692 -3.3190 -3.3190 -3.3190 -3.3190 4.2072 4.2072 4.2079 4.2079 4.3005 4.3005 4.3041 4.3041 4.4501 4.4501 4.4533 4.4533 4.6654 4.6654 4.6655 4.6655 4.6789 4.6789 4.6789 4.6789 6.0427 6.0427 6.0430 6.0430 7.9940 7.9940 8.0059 8.0059 8.1289 8.1289 8.1452 8.1452 8.5907 8.5907 8.5953 8.5953 10.9251 10.9251 10.9299 10.9299 10.9981 10.9981 11.0081 11.0081 11.1084 11.1084 k = 0.0226 0.0391 0.1409 ( 5874 PWs) bands (ev): -5.7046 -5.7046 -5.7046 -5.7046 -4.9754 -4.9754 -4.9754 -4.9754 -3.3185 -3.3185 -3.3184 -3.3184 4.2296 4.2296 4.2307 4.2307 4.2909 4.2909 4.2937 4.2937 4.4629 4.4629 4.4648 4.4648 4.6519 4.6519 4.6521 4.6521 4.6658 4.6658 4.6660 4.6660 6.0200 6.0200 6.0202 6.0202 8.0488 8.0488 8.0580 8.0580 8.1539 8.1539 8.1657 8.1657 8.5954 8.5954 8.5982 8.5982 10.9183 10.9183 10.9227 10.9227 10.9763 10.9763 10.9844 10.9844 11.0791 11.0791 k = 0.0169 0.0294 0.1409 ( 5878 PWs) bands (ev): -5.7114 -5.7114 -5.7114 -5.7114 -4.9802 -4.9802 -4.9802 -4.9802 -3.3180 -3.3180 -3.3180 -3.3180 4.2475 4.2475 4.2488 4.2488 4.2834 4.2834 4.2855 4.2855 4.4752 4.4752 4.4761 4.4761 4.6407 4.6407 4.6409 4.6409 4.6546 4.6546 4.6548 4.6548 6.0015 6.0015 6.0016 6.0016 8.0918 8.0918 8.0972 8.0972 8.1772 8.1772 8.1839 8.1839 8.5983 8.5983 8.5997 8.5997 10.9106 10.9106 10.9133 10.9133 10.9622 10.9622 10.9669 10.9669 11.0557 11.0557 k = 0.0113 0.0196 0.1409 ( 5882 PWs) bands (ev): -5.7162 -5.7162 -5.7162 -5.7162 -4.9836 -4.9836 -4.9836 -4.9836 -3.3177 -3.3177 -3.3177 -3.3177 4.2606 4.2606 4.2616 4.2616 4.2783 4.2783 4.2796 4.2796 4.4856 4.4856 4.4859 4.4859 4.6321 4.6321 4.6322 4.6322 4.6457 4.6457 4.6458 4.6458 5.9877 5.9877 5.9878 5.9878 8.1212 8.1212 8.1232 8.1232 8.1975 8.1975 8.1999 8.1999 8.5998 8.5998 8.6002 8.6002 10.9033 10.9033 10.9043 10.9043 10.9536 10.9536 10.9552 10.9552 11.0388 11.0388 k = 0.0056 0.0098 0.1409 ( 5878 PWs) bands (ev): -5.7192 -5.7192 -5.7192 -5.7192 -4.9857 -4.9857 -4.9857 -4.9857 -3.3175 -3.3175 -3.3175 -3.3175 4.2681 4.2681 4.2684 4.2684 4.2761 4.2761 4.2765 4.2765 4.4929 4.4929 4.4929 4.4929 4.6265 4.6265 4.6265 4.6265 4.6400 4.6400 4.6400 4.6400 5.9793 5.9793 5.9793 5.9793 8.1372 8.1372 8.1375 8.1375 8.2117 8.2117 8.2120 8.2120 8.6002 8.6002 8.6003 8.6003 10.8980 10.8980 10.8981 10.8981 10.9486 10.9486 10.9488 10.9488 11.0286 11.0287 k = 0.0000 0.0000 0.1409 ( 5898 PWs) bands (ev): -5.7201 -5.7201 -5.7201 -5.7201 -4.9864 -4.9864 -4.9864 -4.9864 -3.3174 -3.3174 -3.3174 -3.3174 4.2699 4.2699 4.2699 4.2699 4.2761 4.2761 4.2761 4.2761 4.4955 4.4955 4.4955 4.4955 4.6245 4.6245 4.6245 4.6245 4.6380 4.6380 4.6380 4.6380 5.9764 5.9764 5.9764 5.9764 8.1421 8.1421 8.1421 8.1421 8.2166 8.2166 8.2166 8.2166 8.6002 8.6002 8.6002 8.6002 10.8960 10.8960 10.8960 10.8960 10.9468 10.9468 10.9468 10.9468 11.0252 11.0252 k = 0.5000 0.2887 0.1409 ( 5844 PWs) bands (ev): -4.6210 -4.6210 -4.6210 -4.6210 -4.3869 -4.3869 -4.3869 -4.3869 -3.2306 -3.2306 -3.2306 -3.2306 3.2931 3.2931 3.2931 3.2931 4.2400 4.2400 4.2400 4.2400 4.8255 4.8255 4.8255 4.8255 5.5340 5.5340 5.5340 5.5340 5.7786 5.7786 5.7786 5.7786 6.5811 6.5811 6.5811 6.5811 6.7325 6.7325 6.7325 6.7325 7.1615 7.1615 7.1615 7.1615 7.7926 7.7926 7.7926 7.7926 10.9804 10.9804 10.9804 10.9804 11.2354 11.2354 11.2354 11.2354 12.1252 12.1252 k = 0.5000 0.2887 0.1300 ( 5852 PWs) bands (ev): -4.6233 -4.6233 -4.6187 -4.6187 -4.3884 -4.3884 -4.3855 -4.3855 -3.2312 -3.2312 -3.2299 -3.2299 3.2604 3.2604 3.3273 3.3273 4.2362 4.2362 4.2414 4.2414 4.8161 4.8161 4.8382 4.8382 5.5093 5.5093 5.5583 5.5583 5.7739 5.7739 5.7833 5.7833 6.5723 6.5723 6.5862 6.5862 6.6550 6.6550 6.8147 6.8147 7.1548 7.1548 7.1681 7.1681 7.7734 7.7734 7.8096 7.8096 10.9423 10.9423 11.0208 11.0208 11.2190 11.2190 11.2529 11.2529 12.0940 12.0940 k = 0.5000 0.2887 0.1192 ( 5858 PWs) bands (ev): -4.6256 -4.6256 -4.6163 -4.6163 -4.3899 -4.3899 -4.3840 -4.3840 -3.2318 -3.2318 -3.2294 -3.2294 3.2295 3.2295 3.3627 3.3627 4.2298 4.2298 4.2406 4.2406 4.8105 4.8105 4.8537 4.8537 5.4845 5.4845 5.5819 5.5819 5.7694 5.7694 5.7881 5.7881 6.5454 6.5454 6.5777 6.5777 6.6101 6.6101 6.8979 6.8979 7.1481 7.1481 7.1745 7.1745 7.7528 7.7528 7.8240 7.8240 10.9066 10.9066 11.0633 11.0633 11.2038 11.2038 11.2714 11.2714 12.0611 12.0611 k = 0.5000 0.2887 0.1084 ( 5846 PWs) bands (ev): -4.6278 -4.6278 -4.6141 -4.6141 -4.3914 -4.3914 -4.3826 -4.3826 -3.2323 -3.2323 -3.2288 -3.2288 3.2005 3.2005 3.3990 3.3990 4.2206 4.2206 4.2379 4.2379 4.8092 4.8092 4.8711 4.8711 5.4599 5.4599 5.6042 5.6042 5.7651 5.7651 5.7927 5.7927 6.4783 6.4783 6.5666 6.5666 6.6103 6.6103 6.9810 6.9810 7.1416 7.1416 7.1807 7.1807 7.7312 7.7312 7.8352 7.8352 10.8736 10.8736 11.1078 11.1078 11.1898 11.1898 11.2908 11.2908 12.0273 12.0273 k = 0.5000 0.2887 0.0975 ( 5830 PWs) bands (ev): -4.6298 -4.6298 -4.6119 -4.6119 -4.3928 -4.3928 -4.3813 -4.3813 -3.2329 -3.2329 -3.2282 -3.2282 3.1736 3.1736 3.4358 3.4358 4.2085 4.2085 4.2339 4.2339 4.8122 4.8122 4.8899 4.8899 5.4359 5.4359 5.6248 5.6248 5.7611 5.7611 5.7973 5.7973 6.4055 6.4055 6.5593 6.5593 6.6159 6.6159 7.0626 7.0626 7.1357 7.1357 7.1865 7.1865 7.7094 7.7094 7.8426 7.8426 10.8432 10.8432 11.1539 11.1539 11.1772 11.1772 11.3109 11.3109 11.9933 11.9933 k = 0.5000 0.2887 0.0867 ( 5834 PWs) bands (ev): -4.6317 -4.6317 -4.6098 -4.6098 -4.3941 -4.3941 -4.3801 -4.3801 -3.2334 -3.2334 -3.2277 -3.2277 3.1492 3.1492 3.4728 3.4728 4.1936 4.1936 4.2291 4.2291 4.8192 4.8192 4.9093 4.9093 5.4126 5.4126 5.6431 5.6431 5.7574 5.7574 5.8016 5.8016 6.3355 6.3355 6.5529 6.5529 6.6220 6.6220 7.1243 7.1243 7.1483 7.1483 7.1919 7.1919 7.6877 7.6877 7.8459 7.8459 10.8157 10.8157 11.1655 11.1655 11.2018 11.2018 11.3316 11.3316 11.9595 11.9595 k = 0.5000 0.2887 0.0758 ( 5830 PWs) bands (ev): -4.6335 -4.6335 -4.6079 -4.6079 -4.3954 -4.3954 -4.3790 -4.3790 -3.2339 -3.2339 -3.2273 -3.2273 3.1272 3.1272 3.5093 3.5093 4.1761 4.1761 4.2241 4.2241 4.8297 4.8297 4.9288 4.9288 5.3904 5.3904 5.6586 5.6586 5.7541 5.7541 5.8055 5.8055 6.2707 6.2707 6.5472 6.5472 6.6279 6.6279 7.1216 7.1216 7.1967 7.1967 7.2233 7.2233 7.6670 7.6670 7.8445 7.8445 10.7911 10.7911 11.1554 11.1554 11.2508 11.2508 11.3526 11.3526 11.9266 11.9266 k = 0.5000 0.2887 0.0650 ( 5826 PWs) bands (ev): -4.6351 -4.6351 -4.6061 -4.6061 -4.3965 -4.3965 -4.3780 -4.3780 -3.2344 -3.2344 -3.2268 -3.2268 3.1079 3.1079 3.5448 3.5448 4.1566 4.1566 4.2193 4.2193 4.8429 4.8429 4.9479 4.9479 5.3696 5.3696 5.6708 5.6708 5.7512 5.7512 5.8091 5.8091 6.2125 6.2125 6.5422 6.5422 6.6333 6.6333 7.1166 7.1166 7.2011 7.2011 7.2982 7.2982 7.6476 7.6476 7.8382 7.8382 10.7696 10.7696 11.1467 11.1467 11.3006 11.3006 11.3736 11.3736 11.8949 11.8949 k = 0.5000 0.2887 0.0542 ( 5828 PWs) bands (ev): -4.6364 -4.6364 -4.6046 -4.6046 -4.3975 -4.3975 -4.3772 -4.3772 -3.2347 -3.2347 -3.2265 -3.2265 3.0914 3.0914 3.5785 3.5785 4.1361 4.1361 4.2149 4.2149 4.8576 4.8576 4.9658 4.9658 5.3505 5.3505 5.6794 5.6794 5.7485 5.7485 5.8123 5.8123 6.1623 6.1623 6.5379 6.5379 6.6382 6.6382 7.1120 7.1120 7.2049 7.2049 7.3696 7.3696 7.6302 7.6302 7.8266 7.8266 10.7513 10.7513 11.1392 11.1392 11.3504 11.3504 11.3947 11.3947 11.8651 11.8651 k = 0.5000 0.2887 0.0433 ( 5836 PWs) bands (ev): -4.6376 -4.6376 -4.6033 -4.6033 -4.3983 -4.3983 -4.3764 -4.3764 -3.2351 -3.2351 -3.2262 -3.2262 3.0777 3.0777 3.6095 3.6095 4.1157 4.1157 4.2111 4.2111 4.8726 4.8726 4.9821 4.9821 5.3336 5.3336 5.6844 5.6844 5.7461 5.7461 5.8150 5.8150 6.1210 6.1210 6.5343 6.5343 6.6423 6.6423 7.1081 7.1081 7.2080 7.2080 7.4367 7.4367 7.6152 7.6152 7.8096 7.8096 10.7362 10.7362 11.1331 11.1331 11.3965 11.3965 11.4182 11.4182 11.8377 11.8377 k = 0.5000 0.2887 0.0325 ( 5832 PWs) bands (ev): -4.6385 -4.6385 -4.6023 -4.6023 -4.3990 -4.3990 -4.3759 -4.3759 -3.2353 -3.2353 -3.2259 -3.2259 3.0670 3.0670 3.6363 3.6363 4.0968 4.0968 4.2080 4.2080 4.8864 4.8864 4.9959 4.9959 5.3194 5.3194 5.6862 5.6862 5.7439 5.7439 5.8171 5.8171 6.0894 6.0894 6.5314 6.5314 6.6457 6.6457 7.1048 7.1048 7.2105 7.2105 7.4984 7.4984 7.6033 7.6033 7.7876 7.7876 10.7243 10.7243 11.1284 11.1284 11.4240 11.4240 11.4570 11.4570 11.8125 11.8125 k = 0.5000 0.2887 0.0217 ( 5826 PWs) bands (ev): -4.6391 -4.6391 -4.6015 -4.6015 -4.3995 -4.3995 -4.3755 -4.3755 -3.2355 -3.2355 -3.2257 -3.2257 3.0593 3.0593 3.6575 3.6575 4.0813 4.0813 4.2057 4.2057 4.8976 4.8976 5.0066 5.0066 5.3086 5.3086 5.6860 5.6860 5.7421 5.7421 5.8186 5.8186 6.0675 6.0675 6.5294 6.5294 6.6481 6.6481 7.1025 7.1025 7.2123 7.2123 7.5526 7.5526 7.5953 7.5953 7.7612 7.7612 10.7159 10.7159 11.1250 11.1250 11.4390 11.4390 11.5015 11.5015 11.7867 11.7867 k = 0.5000 0.2887 0.0108 ( 5836 PWs) bands (ev): -4.6395 -4.6395 -4.6011 -4.6011 -4.3998 -4.3998 -4.3752 -4.3752 -3.2356 -3.2356 -3.2256 -3.2256 3.0547 3.0547 3.6712 3.6712 4.0709 4.0709 4.2044 4.2044 4.9049 4.9049 5.0134 5.0134 5.3017 5.3017 5.6850 5.6850 5.7409 5.7409 5.8195 5.8195 6.0547 6.0547 6.5281 6.5281 6.6496 6.6496 7.1010 7.1010 7.2134 7.2134 7.5835 7.5835 7.6034 7.6034 7.7341 7.7341 10.7107 10.7107 11.1230 11.1230 11.4482 11.4482 11.5382 11.5382 11.7577 11.7577 k = 0.5000 0.2887-0.0000 ( 5826 PWs) bands (ev): -4.6396 -4.6396 -4.6009 -4.6009 -4.3999 -4.3999 -4.3751 -4.3751 -3.2356 -3.2356 -3.2256 -3.2256 3.0531 3.0531 3.6760 3.6760 4.0672 4.0672 4.2039 4.2039 4.9074 4.9074 5.0157 5.0157 5.2994 5.2994 5.6846 5.6846 5.7405 5.7405 5.8198 5.8198 6.0506 6.0506 6.5277 6.5277 6.6501 6.6501 7.1006 7.1006 7.2137 7.2137 7.5841 7.5841 7.6214 7.6214 7.7196 7.7196 10.7090 10.7090 11.1223 11.1223 11.4513 11.4513 11.5537 11.5537 11.7435 11.7435 k = 0.3333 0.5774-0.0000 ( 5802 PWs) bands (ev): -4.4608 -4.4608 -4.4352 -4.4352 -4.3947 -4.3947 -4.3699 -4.3699 -3.1151 -3.1151 -3.1029 -3.1029 3.6700 3.6700 3.6717 3.6717 4.7803 4.7803 4.8892 4.8892 4.9095 4.9095 5.0651 5.0651 5.0736 5.0736 5.0803 5.0803 5.1209 5.1209 5.4519 5.4519 6.0876 6.0876 6.1000 6.1000 6.1696 6.1696 6.1700 6.1700 7.6577 7.6577 7.7538 7.7538 7.7874 7.7874 7.8654 7.8654 9.3202 9.3202 9.7681 9.7681 10.3611 10.3611 11.2705 11.2705 11.7807 11.7807 k = 0.3333 0.5774 0.0108 ( 5802 PWs) bands (ev): -4.4608 -4.4608 -4.4352 -4.4352 -4.3947 -4.3947 -4.3699 -4.3699 -3.1151 -3.1151 -3.1029 -3.1029 3.6713 3.6713 3.6730 3.6730 4.7802 4.7802 4.8694 4.8694 4.8863 4.8863 5.0567 5.0567 5.0923 5.0923 5.1046 5.1046 5.1323 5.1323 5.4511 5.4511 6.0862 6.0862 6.0984 6.0984 6.1697 6.1697 6.1701 6.1701 7.6584 7.6584 7.7523 7.7523 7.7859 7.7859 7.8646 7.8646 9.3213 9.3213 9.7651 9.7651 10.3651 10.3651 11.2647 11.2647 11.7864 11.7864 k = 0.3333 0.5774 0.0217 ( 5802 PWs) bands (ev): -4.4607 -4.4607 -4.4353 -4.4353 -4.3946 -4.3946 -4.3700 -4.3700 -3.1151 -3.1151 -3.1029 -3.1029 3.6750 3.6750 3.6766 3.6766 4.7782 4.7782 4.8267 4.8267 4.8369 4.8369 5.0428 5.0428 5.1201 5.1201 5.1572 5.1572 5.1686 5.1686 5.4488 5.4488 6.0819 6.0819 6.0938 6.0938 6.1701 6.1701 6.1702 6.1702 7.6605 7.6605 7.7479 7.7479 7.7812 7.7812 7.8621 7.8621 9.3248 9.3248 9.7564 9.7564 10.3767 10.3767 11.2482 11.2482 11.8028 11.8028 k = 0.3333 0.5774 0.0325 ( 5811 PWs) bands (ev): -4.4605 -4.4605 -4.4355 -4.4355 -4.3944 -4.3944 -4.3702 -4.3702 -3.1151 -3.1151 -3.1029 -3.1029 3.6811 3.6811 3.6827 3.6827 4.7567 4.7567 4.7804 4.7804 4.7959 4.7959 5.0270 5.0270 5.1420 5.1420 5.2192 5.2192 5.2240 5.2240 5.4450 5.4450 6.0747 6.0747 6.0860 6.0860 6.1705 6.1705 6.1707 6.1707 7.6639 7.6639 7.7409 7.7409 7.7736 7.7736 7.8580 7.8580 9.3305 9.3305 9.7427 9.7427 10.3953 10.3953 11.2227 11.2227 11.8281 11.8281 k = 0.3333 0.5774 0.0433 ( 5805 PWs) bands (ev): -4.4603 -4.4603 -4.4357 -4.4357 -4.3942 -4.3942 -4.3704 -4.3704 -3.1151 -3.1151 -3.1029 -3.1029 3.6893 3.6893 3.6909 3.6909 4.7063 4.7063 4.7230 4.7230 4.7930 4.7930 5.0110 5.0110 5.1619 5.1619 5.2844 5.2844 5.2863 5.2863 5.4398 5.4398 6.0646 6.0646 6.0752 6.0752 6.1708 6.1708 6.1714 6.1714 7.6687 7.6687 7.7315 7.7315 7.7637 7.7637 7.8524 7.8524 9.3385 9.3385 9.7248 9.7248 10.4199 10.4199 11.1902 11.1902 11.8602 11.8602 k = 0.3333 0.5774 0.0542 ( 5805 PWs) bands (ev): -4.4600 -4.4600 -4.4360 -4.4360 -4.3939 -4.3939 -4.3707 -4.3707 -3.1151 -3.1151 -3.1029 -3.1029 3.6995 3.6995 3.7010 3.7010 4.6525 4.6525 4.6670 4.6670 4.7953 4.7953 4.9952 4.9952 5.1813 5.1813 5.3504 5.3504 5.3507 5.3507 5.4334 5.4334 6.0514 6.0514 6.0612 6.0612 6.1711 6.1711 6.1720 6.1720 7.6746 7.6746 7.7204 7.7204 7.7519 7.7519 7.8454 7.8454 9.3486 9.3486 9.7037 9.7037 10.4496 10.4496 11.1528 11.1528 11.8972 11.8972 k = 0.3333 0.5774 0.0650 ( 5799 PWs) bands (ev): -4.4597 -4.4597 -4.4363 -4.4363 -4.3936 -4.3936 -4.3710 -4.3710 -3.1150 -3.1150 -3.1029 -3.1029 3.7113 3.7113 3.7126 3.7126 4.6004 4.6004 4.6139 4.6139 4.7990 4.7990 4.9799 4.9799 5.2004 5.2004 5.4117 5.4117 5.4161 5.4161 5.4293 5.4293 6.0349 6.0349 6.0439 6.0439 6.1715 6.1715 6.1727 6.1727 7.6815 7.6815 7.7084 7.7084 7.7389 7.7389 7.8372 7.8372 9.3607 9.3607 9.6803 9.6803 10.4834 10.4834 11.1117 11.1117 11.9376 11.9376 k = 0.3333 0.5774 0.0758 ( 5793 PWs) bands (ev): -4.4594 -4.4594 -4.4366 -4.4366 -4.3933 -4.3933 -4.3714 -4.3714 -3.1150 -3.1150 -3.1030 -3.1030 3.7241 3.7241 3.7253 3.7253 4.5516 4.5516 4.5646 4.5646 4.8035 4.8035 4.9655 4.9655 5.2194 5.2194 5.4142 5.4142 5.4807 5.4807 5.4818 5.4818 6.0150 6.0150 6.0232 6.0232 6.1718 6.1718 6.1732 6.1732 7.6873 7.6873 7.6981 7.6981 7.7254 7.7254 7.8280 7.8280 9.3748 9.3748 9.6555 9.6555 10.5206 10.5206 11.0681 11.0681 11.9803 11.9803 k = 0.3333 0.5774 0.0867 ( 5775 PWs) bands (ev): -4.4590 -4.4590 -4.4370 -4.4370 -4.3929 -4.3929 -4.3717 -4.3717 -3.1150 -3.1150 -3.1030 -3.1030 3.7374 3.7374 3.7385 3.7385 4.5074 4.5074 4.5200 4.5200 4.8086 4.8086 4.9519 4.9519 5.2380 5.2380 5.4041 5.4041 5.5436 5.5436 5.5442 5.5442 5.9916 5.9916 5.9989 5.9989 6.1720 6.1720 6.1737 6.1737 7.6807 7.6807 7.7015 7.7015 7.7123 7.7123 7.8178 7.8178 9.3906 9.3906 9.6298 9.6298 10.5606 10.5606 11.0228 11.0228 12.0245 12.0245 k = 0.3333 0.5774 0.0975 ( 5769 PWs) bands (ev): -4.4587 -4.4587 -4.4373 -4.4373 -4.3926 -4.3926 -4.3721 -4.3721 -3.1150 -3.1150 -3.1030 -3.1030 3.7504 3.7504 3.7513 3.7513 4.4688 4.4688 4.4813 4.4813 4.8139 4.8139 4.9397 4.9397 5.2562 5.2562 5.3927 5.3927 5.6042 5.6042 5.6049 5.6049 5.9644 5.9644 5.9708 5.9708 6.1722 6.1722 6.1741 6.1741 7.6698 7.6698 7.7002 7.7002 7.7110 7.7110 7.8069 7.8069 9.4081 9.4081 9.6039 9.6039 10.6026 10.6026 10.9763 10.9763 12.0694 12.0694 k = 0.3333 0.5774 0.1084 ( 5784 PWs) bands (ev): -4.4585 -4.4585 -4.4376 -4.4376 -4.3923 -4.3923 -4.3723 -4.3723 -3.1150 -3.1150 -3.1030 -3.1030 3.7621 3.7621 3.7628 3.7628 4.4370 4.4370 4.4494 4.4494 4.8191 4.8191 4.9291 4.9291 5.2735 5.2735 5.3805 5.3805 5.6620 5.6620 5.6630 5.6630 5.9332 5.9332 5.9388 5.9388 6.1724 6.1724 6.1744 6.1744 7.6602 7.6602 7.6900 7.6900 7.7215 7.7215 7.7955 7.7955 9.4268 9.4268 9.5784 9.5784 10.6464 10.6464 10.9292 10.9292 12.1143 12.1143 k = 0.3333 0.5774 0.1192 ( 5781 PWs) bands (ev): -4.4583 -4.4583 -4.4378 -4.4378 -4.3921 -4.3921 -4.3725 -4.3725 -3.1150 -3.1150 -3.1030 -3.1030 3.7714 3.7714 3.7720 3.7720 4.4131 4.4131 4.4256 4.4256 4.8237 4.8237 4.9206 4.9206 5.2896 5.2896 5.3682 5.3682 5.7167 5.7167 5.7182 5.7182 5.8980 5.8980 5.9027 5.9027 6.1725 6.1725 6.1746 6.1746 7.6528 7.6528 7.6822 7.6822 7.7326 7.7326 7.7839 7.7839 9.4462 9.4462 9.5540 9.5540 10.6913 10.6913 10.8818 10.8818 12.1582 12.1582 k = 0.3333 0.5774 0.1300 ( 5787 PWs) bands (ev): -4.4581 -4.4581 -4.4379 -4.4379 -4.3920 -4.3920 -4.3727 -4.3727 -3.1150 -3.1150 -3.1030 -3.1030 3.7776 3.7776 3.7780 3.7780 4.3983 4.3983 4.4108 4.4108 4.8269 4.8269 4.9150 4.9150 5.3028 5.3028 5.3572 5.3572 5.7679 5.7679 5.7698 5.7698 5.8587 5.8587 5.8627 5.8627 6.1726 6.1726 6.1747 6.1747 7.6482 7.6482 7.6773 7.6773 7.7434 7.7434 7.7728 7.7728 9.4645 9.4645 9.5326 9.5326 10.7367 10.7367 10.8350 10.8350 12.1983 12.1983 k = 0.3333 0.5774 0.1409 ( 5802 PWs) bands (ev): -4.4581 -4.4581 -4.4380 -4.4380 -4.3919 -4.3919 -4.3727 -4.3727 -3.1150 -3.1150 -3.1030 -3.1030 3.7797 3.7797 3.7801 3.7801 4.3932 4.3932 4.4057 4.4057 4.8281 4.8281 4.9131 4.9131 5.3086 5.3086 5.3520 5.3520 5.8130 5.8130 5.8150 5.8150 5.8155 5.8155 5.8235 5.8235 6.1726 6.1726 6.1747 6.1747 7.6466 7.6466 7.6757 7.6757 7.7500 7.7500 7.7661 7.7661 9.4741 9.4741 9.5220 9.5220 10.7721 10.7721 10.7991 10.7991 12.2202 12.2202 Writing output data file Zr2SN2.save init_run : 0.24s CPU 0.44s WALL ( 1 calls) electrons : 354.39s CPU 359.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 354.38s CPU 359.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 328 calls) cegterg : 329.14s CPU 333.40s WALL ( 1012 calls) Called by sum_band: Called by *egterg: h_psi : 162.13s CPU 164.81s WALL ( 17838 calls) s_psi : 10.50s CPU 10.83s WALL ( 17838 calls) g_psi : 0.53s CPU 0.58s WALL ( 16498 calls) cdiaghg : 130.15s CPU 132.00s WALL ( 16826 calls) cegterg:over : 15.74s CPU 15.96s WALL ( 16498 calls) cegterg:upda : 16.95s CPU 16.65s WALL ( 16498 calls) cegterg:last : 6.73s CPU 6.65s WALL ( 1997 calls) cdiaghg:chol : 7.78s CPU 7.53s WALL ( 16826 calls) cdiaghg:inve : 5.05s CPU 5.11s WALL ( 16826 calls) cdiaghg:para : 7.63s CPU 7.91s WALL ( 33652 calls) Called by h_psi: h_psi:vloc : 130.91s CPU 133.49s WALL ( 17838 calls) h_psi:vnl : 30.50s CPU 30.63s WALL ( 17838 calls) add_vuspsi : 15.22s CPU 14.96s WALL ( 17838 calls) General routines calbec : 15.23s CPU 15.63s WALL ( 17838 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 121.20s CPU 123.44s WALL ( 1461772 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.39s WALL ( 656 calls) Parallel routines fft_scatter : 53.82s CPU 54.80s WALL ( 1461795 calls) PWSCF : 6m15.00s CPU 6m34.33s WALL This run was terminated on: 21: 1:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=