Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:37:44 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: ./Li2CuAs.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 49 13 3185 3185 463 Max 50 50 14 3194 3194 472 Sum 1789 1789 499 114769 114769 16917 bravais-lattice index = 14 lattice parameter (alat) = 7.9085 a.u. unit-cell volume = 811.4873 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.908503 celldm(2)= 1.000000 celldm(3)= 1.894385 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.894385 ) 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 0.527876 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Li 3.00 6.94100 Li( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9471924 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9471924 ) 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= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0032154 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0032154 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0032154 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0032154 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0032154 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0032154 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0032154 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0032154 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0032154 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0032154 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0032154 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0032154 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0032154 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0032154 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0032154 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0032154 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0032154 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0032154 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0032154 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0032154 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0032154 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032154 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0032154 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0032154 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0032154 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0032154 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0032154 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0032154 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0032154 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0032154 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0032154 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0032154 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0032154 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0032154 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0032154 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0032154 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0032154 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0032154 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0032154 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0032154 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0032154 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0032154 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0032154 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0032154 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0032154 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0032154 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0032154 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0032154 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0032154 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0032154 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0032154 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0032154 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0032154 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0032154 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0032154 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032154 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0032154 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0032154 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0032154 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0032154 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0032154 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0032154 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0032154 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0032154 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0032154 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0032154 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0032154 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0032154 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0032154 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0032154 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0032154 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0032154 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0032154 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0032154 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0032154 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0032154 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0032154 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0032154 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0032154 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0032154 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0032154 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0032154 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0032154 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0032154 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0032154 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0032154 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0032154 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0032154 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0032154 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0032154 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0032154 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0032154 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0032154 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0032154 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0032154 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0032154 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0032154 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0032154 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0032154 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0032154 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0032154 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0032154 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0032154 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0032154 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0032154 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0032154 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0032154 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0032154 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0032154 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0032154 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0032154 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0032154 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0032154 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0032154 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0032154 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0032154 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0032154 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0000000 0.0000000 0.0131969), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.0263938), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.0395907), wk = 0.0032154 k( 129) = ( 0.0000000 0.0000000 0.0527876), wk = 0.0032154 k( 130) = ( 0.0000000 0.0000000 0.0659845), wk = 0.0032154 k( 131) = ( 0.0000000 0.0000000 0.0791814), wk = 0.0032154 k( 132) = ( 0.0000000 0.0000000 0.0923783), wk = 0.0032154 k( 133) = ( 0.0000000 0.0000000 0.1055752), wk = 0.0032154 k( 134) = ( 0.0000000 0.0000000 0.1187721), wk = 0.0032154 k( 135) = ( 0.0000000 0.0000000 0.1319690), wk = 0.0032154 k( 136) = ( 0.0000000 0.0000000 0.1451659), wk = 0.0032154 k( 137) = ( 0.0000000 0.0000000 0.1583628), wk = 0.0032154 k( 138) = ( 0.0000000 0.0000000 0.1715597), wk = 0.0032154 k( 139) = ( 0.0000000 0.0000000 0.1847566), wk = 0.0032154 k( 140) = ( 0.0000000 0.0000000 0.1979535), wk = 0.0032154 k( 141) = ( 0.0000000 0.0000000 0.2111504), wk = 0.0032154 k( 142) = ( 0.0000000 0.0000000 0.2243473), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.2375441), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.2507410), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.2639379), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.2639379), wk = 0.0032154 k( 147) = ( 0.0113636 0.0065608 0.2639379), wk = 0.0032154 k( 148) = ( 0.0227273 0.0131216 0.2639379), wk = 0.0032154 k( 149) = ( 0.0340909 0.0196824 0.2639379), wk = 0.0032154 k( 150) = ( 0.0454546 0.0262432 0.2639379), wk = 0.0032154 k( 151) = ( 0.0568182 0.0328040 0.2639379), wk = 0.0032154 k( 152) = ( 0.0681818 0.0393648 0.2639379), wk = 0.0032154 k( 153) = ( 0.0795455 0.0459256 0.2639379), wk = 0.0032154 k( 154) = ( 0.0909091 0.0524864 0.2639379), wk = 0.0032154 k( 155) = ( 0.1022727 0.0590472 0.2639379), wk = 0.0032154 k( 156) = ( 0.1136364 0.0656080 0.2639379), wk = 0.0032154 k( 157) = ( 0.1250000 0.0721688 0.2639379), wk = 0.0032154 k( 158) = ( 0.1363636 0.0787296 0.2639379), wk = 0.0032154 k( 159) = ( 0.1477273 0.0852904 0.2639379), wk = 0.0032154 k( 160) = ( 0.1590909 0.0918512 0.2639379), wk = 0.0032154 k( 161) = ( 0.1704546 0.0984120 0.2639379), wk = 0.0032154 k( 162) = ( 0.1818182 0.1049728 0.2639379), wk = 0.0032154 k( 163) = ( 0.1931818 0.1115336 0.2639379), wk = 0.0032154 k( 164) = ( 0.2045454 0.1180944 0.2639379), wk = 0.0032154 k( 165) = ( 0.2159091 0.1246552 0.2639379), wk = 0.0032154 k( 166) = ( 0.2272727 0.1312160 0.2639379), wk = 0.0032154 k( 167) = ( 0.2386364 0.1377768 0.2639379), wk = 0.0032154 k( 168) = ( 0.2500000 0.1443376 0.2639379), wk = 0.0032154 k( 169) = ( 0.2613636 0.1508984 0.2639379), wk = 0.0032154 k( 170) = ( 0.2727273 0.1574592 0.2639379), wk = 0.0032154 k( 171) = ( 0.2840909 0.1640200 0.2639379), wk = 0.0032154 k( 172) = ( 0.2954545 0.1705808 0.2639379), wk = 0.0032154 k( 173) = ( 0.3068182 0.1771416 0.2639379), wk = 0.0032154 k( 174) = ( 0.3181818 0.1837024 0.2639379), wk = 0.0032154 k( 175) = ( 0.3295455 0.1902632 0.2639379), wk = 0.0032154 k( 176) = ( 0.3409091 0.1968240 0.2639379), wk = 0.0032154 k( 177) = ( 0.3522727 0.2033848 0.2639379), wk = 0.0032154 k( 178) = ( 0.3636364 0.2099456 0.2639379), wk = 0.0032154 k( 179) = ( 0.3750000 0.2165064 0.2639379), wk = 0.0032154 k( 180) = ( 0.3863636 0.2230672 0.2639379), wk = 0.0032154 k( 181) = ( 0.3977273 0.2296279 0.2639379), wk = 0.0032154 k( 182) = ( 0.4090909 0.2361887 0.2639379), wk = 0.0032154 k( 183) = ( 0.4204545 0.2427495 0.2639379), wk = 0.0032154 k( 184) = ( 0.4318182 0.2493103 0.2639379), wk = 0.0032154 k( 185) = ( 0.4431818 0.2558711 0.2639379), wk = 0.0032154 k( 186) = ( 0.4545455 0.2624319 0.2639379), wk = 0.0032154 k( 187) = ( 0.4659091 0.2689927 0.2639379), wk = 0.0032154 k( 188) = ( 0.4772727 0.2755535 0.2639379), wk = 0.0032154 k( 189) = ( 0.4886364 0.2821143 0.2639379), wk = 0.0032154 k( 190) = ( 0.5000000 0.2886751 0.2639379), wk = 0.0032154 k( 191) = ( 0.5000000 0.2886751 0.2639379), wk = 0.0032154 k( 192) = ( 0.4935897 0.2997780 0.2639379), wk = 0.0032154 k( 193) = ( 0.4871795 0.3108809 0.2639379), wk = 0.0032154 k( 194) = ( 0.4807692 0.3219838 0.2639379), wk = 0.0032154 k( 195) = ( 0.4743590 0.3330867 0.2639379), wk = 0.0032154 k( 196) = ( 0.4679487 0.3441896 0.2639379), wk = 0.0032154 k( 197) = ( 0.4615385 0.3552925 0.2639379), wk = 0.0032154 k( 198) = ( 0.4551282 0.3663954 0.2639379), wk = 0.0032154 k( 199) = ( 0.4487179 0.3774983 0.2639379), wk = 0.0032154 k( 200) = ( 0.4423077 0.3886011 0.2639379), wk = 0.0032154 k( 201) = ( 0.4358974 0.3997040 0.2639379), wk = 0.0032154 k( 202) = ( 0.4294872 0.4108069 0.2639379), wk = 0.0032154 k( 203) = ( 0.4230769 0.4219098 0.2639379), wk = 0.0032154 k( 204) = ( 0.4166667 0.4330127 0.2639379), wk = 0.0032154 k( 205) = ( 0.4102564 0.4441156 0.2639379), wk = 0.0032154 k( 206) = ( 0.4038462 0.4552185 0.2639379), wk = 0.0032154 k( 207) = ( 0.3974359 0.4663214 0.2639379), wk = 0.0032154 k( 208) = ( 0.3910256 0.4774243 0.2639379), wk = 0.0032154 k( 209) = ( 0.3846154 0.4885271 0.2639379), wk = 0.0032154 k( 210) = ( 0.3782051 0.4996300 0.2639379), wk = 0.0032154 k( 211) = ( 0.3717949 0.5107329 0.2639379), wk = 0.0032154 k( 212) = ( 0.3653846 0.5218358 0.2639379), wk = 0.0032154 k( 213) = ( 0.3589744 0.5329387 0.2639379), wk = 0.0032154 k( 214) = ( 0.3525641 0.5440416 0.2639379), wk = 0.0032154 k( 215) = ( 0.3461538 0.5551445 0.2639379), wk = 0.0032154 k( 216) = ( 0.3397436 0.5662474 0.2639379), wk = 0.0032154 k( 217) = ( 0.3333333 0.5773503 0.2639379), wk = 0.0032154 k( 218) = ( 0.3333333 0.5773503 0.2639379), wk = 0.0032154 k( 219) = ( 0.3267974 0.5660297 0.2639379), wk = 0.0032154 k( 220) = ( 0.3202614 0.5547091 0.2639379), wk = 0.0032154 k( 221) = ( 0.3137255 0.5433885 0.2639379), wk = 0.0032154 k( 222) = ( 0.3071895 0.5320679 0.2639379), wk = 0.0032154 k( 223) = ( 0.3006536 0.5207473 0.2639379), wk = 0.0032154 k( 224) = ( 0.2941177 0.5094267 0.2639379), wk = 0.0032154 k( 225) = ( 0.2875817 0.4981061 0.2639379), wk = 0.0032154 k( 226) = ( 0.2810457 0.4867855 0.2639379), wk = 0.0032154 k( 227) = ( 0.2745098 0.4754649 0.2639379), wk = 0.0032154 k( 228) = ( 0.2679739 0.4641443 0.2639379), wk = 0.0032154 k( 229) = ( 0.2614379 0.4528237 0.2639379), wk = 0.0032154 k( 230) = ( 0.2549020 0.4415031 0.2639379), wk = 0.0032154 k( 231) = ( 0.2483660 0.4301825 0.2639379), wk = 0.0032154 k( 232) = ( 0.2418301 0.4188620 0.2639379), wk = 0.0032154 k( 233) = ( 0.2352941 0.4075414 0.2639379), wk = 0.0032154 k( 234) = ( 0.2287582 0.3962208 0.2639379), wk = 0.0032154 k( 235) = ( 0.2222222 0.3849002 0.2639379), wk = 0.0032154 k( 236) = ( 0.2156863 0.3735796 0.2639379), wk = 0.0032154 k( 237) = ( 0.2091503 0.3622590 0.2639379), wk = 0.0032154 k( 238) = ( 0.2026144 0.3509384 0.2639379), wk = 0.0032154 k( 239) = ( 0.1960784 0.3396178 0.2639379), wk = 0.0032154 k( 240) = ( 0.1895425 0.3282972 0.2639379), wk = 0.0032154 k( 241) = ( 0.1830065 0.3169766 0.2639379), wk = 0.0032154 k( 242) = ( 0.1764706 0.3056560 0.2639379), wk = 0.0032154 k( 243) = ( 0.1699346 0.2943354 0.2639379), wk = 0.0032154 k( 244) = ( 0.1633987 0.2830148 0.2639379), wk = 0.0032154 k( 245) = ( 0.1568627 0.2716943 0.2639379), wk = 0.0032154 k( 246) = ( 0.1503268 0.2603737 0.2639379), wk = 0.0032154 k( 247) = ( 0.1437908 0.2490531 0.2639379), wk = 0.0032154 k( 248) = ( 0.1372549 0.2377325 0.2639379), wk = 0.0032154 k( 249) = ( 0.1307190 0.2264119 0.2639379), wk = 0.0032154 k( 250) = ( 0.1241830 0.2150913 0.2639379), wk = 0.0032154 k( 251) = ( 0.1176471 0.2037707 0.2639379), wk = 0.0032154 k( 252) = ( 0.1111111 0.1924501 0.2639379), wk = 0.0032154 k( 253) = ( 0.1045752 0.1811295 0.2639379), wk = 0.0032154 k( 254) = ( 0.0980392 0.1698089 0.2639379), wk = 0.0032154 k( 255) = ( 0.0915033 0.1584883 0.2639379), wk = 0.0032154 k( 256) = ( 0.0849673 0.1471677 0.2639379), wk = 0.0032154 k( 257) = ( 0.0784314 0.1358471 0.2639379), wk = 0.0032154 k( 258) = ( 0.0718954 0.1245265 0.2639379), wk = 0.0032154 k( 259) = ( 0.0653595 0.1132059 0.2639379), wk = 0.0032154 k( 260) = ( 0.0588235 0.1018853 0.2639379), wk = 0.0032154 k( 261) = ( 0.0522876 0.0905647 0.2639379), wk = 0.0032154 k( 262) = ( 0.0457516 0.0792441 0.2639379), wk = 0.0032154 k( 263) = ( 0.0392157 0.0679236 0.2639379), wk = 0.0032154 k( 264) = ( 0.0326797 0.0566030 0.2639379), wk = 0.0032154 k( 265) = ( 0.0261438 0.0452824 0.2639379), wk = 0.0032154 k( 266) = ( 0.0196078 0.0339618 0.2639379), wk = 0.0032154 k( 267) = ( 0.0130719 0.0226412 0.2639379), wk = 0.0032154 k( 268) = ( 0.0065359 0.0113206 0.2639379), wk = 0.0032154 k( 269) = ( 0.0000000 0.0000000 0.2639379), wk = 0.0032154 k( 270) = ( 0.5000000 0.2886751 0.2639379), wk = 0.0032154 k( 271) = ( 0.5000000 0.2886751 0.2507410), wk = 0.0032154 k( 272) = ( 0.5000000 0.2886751 0.2375441), wk = 0.0032154 k( 273) = ( 0.5000000 0.2886751 0.2243473), wk = 0.0032154 k( 274) = ( 0.5000000 0.2886751 0.2111504), wk = 0.0032154 k( 275) = ( 0.5000000 0.2886751 0.1979535), wk = 0.0032154 k( 276) = ( 0.5000000 0.2886751 0.1847566), wk = 0.0032154 k( 277) = ( 0.5000000 0.2886751 0.1715597), wk = 0.0032154 k( 278) = ( 0.5000000 0.2886751 0.1583628), wk = 0.0032154 k( 279) = ( 0.5000000 0.2886751 0.1451659), wk = 0.0032154 k( 280) = ( 0.5000000 0.2886751 0.1319690), wk = 0.0032154 k( 281) = ( 0.5000000 0.2886751 0.1187721), wk = 0.0032154 k( 282) = ( 0.5000000 0.2886751 0.1055752), wk = 0.0032154 k( 283) = ( 0.5000000 0.2886751 0.0923783), wk = 0.0032154 k( 284) = ( 0.5000000 0.2886751 0.0791814), wk = 0.0032154 k( 285) = ( 0.5000000 0.2886751 0.0659845), wk = 0.0032154 k( 286) = ( 0.5000000 0.2886751 0.0527876), wk = 0.0032154 k( 287) = ( 0.5000000 0.2886751 0.0395907), wk = 0.0032154 k( 288) = ( 0.5000000 0.2886751 0.0263938), wk = 0.0032154 k( 289) = ( 0.5000000 0.2886751 0.0131969), wk = 0.0032154 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 292) = ( 0.3333333 0.5773503 0.0131969), wk = 0.0032154 k( 293) = ( 0.3333333 0.5773503 0.0263938), wk = 0.0032154 k( 294) = ( 0.3333333 0.5773503 0.0395907), wk = 0.0032154 k( 295) = ( 0.3333333 0.5773503 0.0527876), wk = 0.0032154 k( 296) = ( 0.3333333 0.5773503 0.0659845), wk = 0.0032154 k( 297) = ( 0.3333333 0.5773503 0.0791814), wk = 0.0032154 k( 298) = ( 0.3333333 0.5773503 0.0923783), wk = 0.0032154 k( 299) = ( 0.3333333 0.5773503 0.1055752), wk = 0.0032154 k( 300) = ( 0.3333333 0.5773503 0.1187721), wk = 0.0032154 k( 301) = ( 0.3333333 0.5773503 0.1319690), wk = 0.0032154 k( 302) = ( 0.3333333 0.5773503 0.1451659), wk = 0.0032154 k( 303) = ( 0.3333333 0.5773503 0.1583628), wk = 0.0032154 k( 304) = ( 0.3333333 0.5773503 0.1715597), wk = 0.0032154 k( 305) = ( 0.3333333 0.5773503 0.1847566), wk = 0.0032154 k( 306) = ( 0.3333333 0.5773503 0.1979535), wk = 0.0032154 k( 307) = ( 0.3333333 0.5773503 0.2111504), wk = 0.0032154 k( 308) = ( 0.3333333 0.5773503 0.2243473), wk = 0.0032154 k( 309) = ( 0.3333333 0.5773503 0.2375441), wk = 0.0032154 k( 310) = ( 0.3333333 0.5773503 0.2507410), wk = 0.0032154 k( 311) = ( 0.3333333 0.5773503 0.2639379), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0032154 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0032154 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0032154 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0032154 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0032154 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0032154 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0032154 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0032154 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0032154 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0032154 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0032154 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0032154 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0032154 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0032154 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0032154 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0032154 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0032154 k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0032154 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0032154 k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0032154 k( 22) = ( 0.2386364 -0.0000000 0.0000000), wk = 0.0032154 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032154 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0032154 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0032154 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0032154 k( 27) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0032154 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0032154 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0032154 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0032154 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0032154 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0032154 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0032154 k( 34) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0032154 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0032154 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0032154 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0032154 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0032154 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0032154 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0032154 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0032154 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0032154 k( 43) = ( 0.4772727 0.0000000 -0.0000000), wk = 0.0032154 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0032154 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0032154 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0032154 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0032154 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0032154 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0032154 k( 52) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0032154 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0032154 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0032154 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0032154 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0032154 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0032154 k( 58) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0032154 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032154 k( 60) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0032154 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0032154 k( 62) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0032154 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0032154 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0032154 k( 65) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0032154 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0032154 k( 67) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0032154 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0032154 k( 69) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0032154 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0032154 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0032154 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032154 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032154 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0032154 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0032154 k( 76) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0032154 k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0032154 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0032154 k( 79) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0032154 k( 80) = ( 0.2875817 0.2875817 -0.0000000), wk = 0.0032154 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0032154 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0032154 k( 83) = ( 0.2679739 0.2679739 -0.0000000), wk = 0.0032154 k( 84) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0032154 k( 85) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0032154 k( 86) = ( 0.2483660 0.2483660 -0.0000000), wk = 0.0032154 k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0032154 k( 88) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0032154 k( 89) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0032154 k( 90) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032154 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0032154 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0032154 k( 93) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0032154 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0032154 k( 95) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0032154 k( 96) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0032154 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0032154 k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0032154 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0032154 k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0032154 k( 101) = ( 0.1503268 0.1503268 -0.0000000), wk = 0.0032154 k( 102) = ( 0.1437908 0.1437908 -0.0000000), wk = 0.0032154 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0032154 k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0032154 k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0032154 k( 106) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0032154 k( 107) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032154 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0032154 k( 109) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0032154 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0032154 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0032154 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0032154 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0032154 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0032154 k( 115) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0032154 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0032154 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0032154 k( 118) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0032154 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0032154 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0032154 k( 121) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032154 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0032154 k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032154 k( 129) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032154 k( 130) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032154 k( 131) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032154 k( 132) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032154 k( 133) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032154 k( 134) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032154 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032154 k( 136) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032154 k( 137) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032154 k( 138) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032154 k( 139) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032154 k( 140) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032154 k( 141) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032154 k( 142) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 147) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0032154 k( 148) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0032154 k( 149) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0032154 k( 150) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0032154 k( 151) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0032154 k( 152) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0032154 k( 153) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0032154 k( 154) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0032154 k( 155) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0032154 k( 156) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0032154 k( 157) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0032154 k( 158) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0032154 k( 159) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0032154 k( 160) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0032154 k( 161) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0032154 k( 162) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0032154 k( 163) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0032154 k( 164) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0032154 k( 165) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0032154 k( 166) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0032154 k( 167) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0032154 k( 168) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0032154 k( 169) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0032154 k( 170) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0032154 k( 171) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0032154 k( 172) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0032154 k( 173) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0032154 k( 174) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0032154 k( 175) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0032154 k( 176) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0032154 k( 177) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0032154 k( 178) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0032154 k( 179) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0032154 k( 180) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0032154 k( 181) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0032154 k( 182) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0032154 k( 183) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0032154 k( 184) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0032154 k( 185) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0032154 k( 186) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0032154 k( 187) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0032154 k( 188) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0032154 k( 189) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0032154 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032154 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032154 k( 192) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0032154 k( 193) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0032154 k( 194) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0032154 k( 195) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0032154 k( 196) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0032154 k( 197) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0032154 k( 198) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0032154 k( 199) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0032154 k( 200) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0032154 k( 201) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0032154 k( 202) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0032154 k( 203) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0032154 k( 204) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032154 k( 205) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0032154 k( 206) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0032154 k( 207) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0032154 k( 208) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0032154 k( 209) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0032154 k( 210) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0032154 k( 211) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0032154 k( 212) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0032154 k( 213) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0032154 k( 214) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0032154 k( 215) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0032154 k( 216) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0032154 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 k( 219) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0032154 k( 220) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0032154 k( 221) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0032154 k( 222) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0032154 k( 223) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0032154 k( 224) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0032154 k( 225) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0032154 k( 226) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0032154 k( 227) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0032154 k( 228) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0032154 k( 229) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0032154 k( 230) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0032154 k( 231) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0032154 k( 232) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0032154 k( 233) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0032154 k( 234) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0032154 k( 235) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032154 k( 236) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0032154 k( 237) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0032154 k( 238) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0032154 k( 239) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0032154 k( 240) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0032154 k( 241) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0032154 k( 242) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0032154 k( 243) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0032154 k( 244) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0032154 k( 245) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0032154 k( 246) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0032154 k( 247) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0032154 k( 248) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0032154 k( 249) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0032154 k( 250) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0032154 k( 251) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0032154 k( 252) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032154 k( 253) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0032154 k( 254) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0032154 k( 255) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0032154 k( 256) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0032154 k( 257) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0032154 k( 258) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0032154 k( 259) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0032154 k( 260) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0032154 k( 261) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0032154 k( 262) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0032154 k( 263) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0032154 k( 264) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0032154 k( 265) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0032154 k( 266) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0032154 k( 267) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0032154 k( 268) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0032154 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 270) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032154 k( 271) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0032154 k( 272) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0032154 k( 273) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0032154 k( 274) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0032154 k( 275) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032154 k( 276) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0032154 k( 277) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0032154 k( 278) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0032154 k( 279) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0032154 k( 280) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032154 k( 281) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0032154 k( 282) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0032154 k( 283) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0032154 k( 284) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0032154 k( 285) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032154 k( 286) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0032154 k( 287) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0032154 k( 288) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0032154 k( 289) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0032154 k( 290) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032154 k( 291) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032154 k( 292) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0032154 k( 293) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0032154 k( 294) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0032154 k( 295) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0032154 k( 296) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0032154 k( 297) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0032154 k( 298) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0032154 k( 299) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0032154 k( 300) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0032154 k( 301) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0032154 k( 302) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0032154 k( 303) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0032154 k( 304) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0032154 k( 305) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0032154 k( 306) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0032154 k( 307) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0032154 k( 308) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0032154 k( 309) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0032154 k( 310) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0032154 k( 311) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 Dense grid: 114769 G-vectors FFT dimensions: ( 54, 54, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.64 Mb ( 810, 52) NL pseudopotentials 0.94 Mb ( 405, 152) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3187) G-vector shells 0.01 Mb ( 1525) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.57 Mb ( 810, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.24 Mb ( 152, 2, 52) The potential is recalculated from file : ./Li2CuAs.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.6 secs Computing kpt #: 13 total cpu time spent up to now is 14.5 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.5 secs Computing kpt #: 16 total cpu time spent up to now is 17.4 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 19.1 secs Computing kpt #: 19 total cpu time spent up to now is 20.0 secs Computing kpt #: 20 total cpu time spent up to now is 20.8 secs Computing kpt #: 21 total cpu time spent up to now is 21.7 secs Computing kpt #: 22 total cpu time spent up to now is 22.5 secs Computing kpt #: 23 total cpu time spent up to now is 23.3 secs Computing kpt #: 24 total cpu time spent up to now is 24.1 secs Computing kpt #: 25 total cpu time spent up to now is 24.9 secs Computing kpt #: 26 total cpu time spent up to now is 25.8 secs Computing kpt #: 27 total cpu time spent up to now is 26.6 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.2 secs Computing kpt #: 30 total cpu time spent up to now is 29.0 secs Computing kpt #: 31 total cpu time spent up to now is 29.8 secs Computing kpt #: 32 total cpu time spent up to now is 30.6 secs Computing kpt #: 33 total cpu time spent up to now is 31.4 secs Computing kpt #: 34 total cpu time spent up to now is 32.2 secs Computing kpt #: 35 total cpu time spent up to now is 33.0 secs Computing kpt #: 36 total cpu time spent up to now is 33.8 secs Computing kpt #: 37 total cpu time spent up to now is 34.6 secs Computing kpt #: 38 total cpu time spent up to now is 35.4 secs Computing kpt #: 39 total cpu time spent up to now is 36.2 secs Computing kpt #: 40 total cpu time spent up to now is 37.0 secs Computing kpt #: 41 total cpu time spent up to now is 37.8 secs Computing kpt #: 42 total cpu time spent up to now is 38.6 secs Computing kpt #: 43 total cpu time spent up to now is 39.5 secs Computing kpt #: 44 total cpu time spent up to now is 40.3 secs Computing kpt #: 45 total cpu time spent up to now is 41.1 secs Computing kpt #: 46 total cpu time spent up to now is 41.9 secs Computing kpt #: 47 total cpu time spent up to now is 42.7 secs Computing kpt #: 48 total cpu time spent up to now is 43.5 secs Computing kpt #: 49 total cpu time spent up to now is 44.3 secs Computing kpt #: 50 total cpu time spent up to now is 45.1 secs Computing kpt #: 51 total cpu time spent up to now is 46.0 secs Computing kpt #: 52 total cpu time spent up to now is 46.8 secs Computing kpt #: 53 total cpu time spent up to now is 47.6 secs Computing kpt #: 54 total cpu time spent up to now is 48.4 secs Computing kpt #: 55 total cpu time spent up to now is 49.3 secs Computing kpt #: 56 total cpu time spent up to now is 50.1 secs Computing kpt #: 57 total cpu time spent up to now is 50.9 secs Computing kpt #: 58 total cpu time spent up to now is 51.8 secs Computing kpt #: 59 total cpu time spent up to now is 52.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.5 secs Computing kpt #: 61 total cpu time spent up to now is 54.3 secs Computing kpt #: 62 total cpu time spent up to now is 55.2 secs Computing kpt #: 63 total cpu time spent up to now is 56.1 secs Computing kpt #: 64 total cpu time spent up to now is 57.2 secs Computing kpt #: 65 total cpu time spent up to now is 58.3 secs Computing kpt #: 66 total cpu time spent up to now is 59.4 secs Computing kpt #: 67 total cpu time spent up to now is 60.6 secs Computing kpt #: 68 total cpu time spent up to now is 61.8 secs Computing kpt #: 69 total cpu time spent up to now is 63.0 secs Computing kpt #: 70 total cpu time spent up to now is 64.2 secs Computing kpt #: 71 total cpu time spent up to now is 65.9 secs Computing kpt #: 72 total cpu time spent up to now is 66.7 secs Computing kpt #: 73 total cpu time spent up to now is 67.6 secs Computing kpt #: 74 total cpu time spent up to now is 69.0 secs Computing kpt #: 75 total cpu time spent up to now is 70.2 secs Computing kpt #: 76 total cpu time spent up to now is 71.4 secs Computing kpt #: 77 total cpu time spent up to now is 72.6 secs Computing kpt #: 78 total cpu time spent up to now is 73.8 secs Computing kpt #: 79 total cpu time spent up to now is 74.9 secs Computing kpt #: 80 total cpu time spent up to now is 76.1 secs Computing kpt #: 81 total cpu time spent up to now is 77.2 secs Computing kpt #: 82 total cpu time spent up to now is 78.3 secs Computing kpt #: 83 total cpu time spent up to now is 79.4 secs Computing kpt #: 84 total cpu time spent up to now is 80.5 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 82.8 secs Computing kpt #: 87 total cpu time spent up to now is 83.9 secs Computing kpt #: 88 total cpu time spent up to now is 84.9 secs Computing kpt #: 89 total cpu time spent up to now is 85.9 secs Computing kpt #: 90 total cpu time spent up to now is 86.8 secs Computing kpt #: 91 total cpu time spent up to now is 87.7 secs Computing kpt #: 92 total cpu time spent up to now is 88.6 secs Computing kpt #: 93 total cpu time spent up to now is 89.5 secs Computing kpt #: 94 total cpu time spent up to now is 90.4 secs Computing kpt #: 95 total cpu time spent up to now is 91.3 secs Computing kpt #: 96 total cpu time spent up to now is 92.1 secs Computing kpt #: 97 total cpu time spent up to now is 93.0 secs Computing kpt #: 98 total cpu time spent up to now is 93.9 secs Computing kpt #: 99 total cpu time spent up to now is 94.8 secs Computing kpt #: 100 total cpu time spent up to now is 95.7 secs Computing kpt #: 101 total cpu time spent up to now is 96.6 secs Computing kpt #: 102 total cpu time spent up to now is 97.5 secs Computing kpt #: 103 total cpu time spent up to now is 98.4 secs Computing kpt #: 104 total cpu time spent up to now is 99.3 secs Computing kpt #: 105 total cpu time spent up to now is 100.2 secs Computing kpt #: 106 total cpu time spent up to now is 101.0 secs Computing kpt #: 107 total cpu time spent up to now is 101.9 secs Computing kpt #: 108 total cpu time spent up to now is 102.8 secs Computing kpt #: 109 total cpu time spent up to now is 103.7 secs Computing kpt #: 110 total cpu time spent up to now is 104.8 secs Computing kpt #: 111 total cpu time spent up to now is 105.7 secs Computing kpt #: 112 total cpu time spent up to now is 106.6 secs Computing kpt #: 113 total cpu time spent up to now is 107.5 secs Computing kpt #: 114 total cpu time spent up to now is 108.5 secs Computing kpt #: 115 total cpu time spent up to now is 109.4 secs Computing kpt #: 116 total cpu time spent up to now is 110.3 secs Computing kpt #: 117 total cpu time spent up to now is 111.2 secs Computing kpt #: 118 total cpu time spent up to now is 112.1 secs Computing kpt #: 119 total cpu time spent up to now is 113.2 secs Computing kpt #: 120 total cpu time spent up to now is 114.2 secs Computing kpt #: 121 total cpu time spent up to now is 115.2 secs Computing kpt #: 122 total cpu time spent up to now is 116.3 secs Computing kpt #: 123 total cpu time spent up to now is 117.3 secs Computing kpt #: 124 total cpu time spent up to now is 118.3 secs Computing kpt #: 125 total cpu time spent up to now is 119.3 secs Computing kpt #: 126 total cpu time spent up to now is 120.4 secs Computing kpt #: 127 total cpu time spent up to now is 121.5 secs Computing kpt #: 128 total cpu time spent up to now is 122.5 secs Computing kpt #: 129 total cpu time spent up to now is 123.7 secs Computing kpt #: 130 total cpu time spent up to now is 124.8 secs Computing kpt #: 131 total cpu time spent up to now is 125.9 secs Computing kpt #: 132 total cpu time spent up to now is 126.9 secs Computing kpt #: 133 total cpu time spent up to now is 128.0 secs Computing kpt #: 134 total cpu time spent up to now is 129.0 secs Computing kpt #: 135 total cpu time spent up to now is 130.1 secs Computing kpt #: 136 total cpu time spent up to now is 131.1 secs Computing kpt #: 137 total cpu time spent up to now is 132.1 secs Computing kpt #: 138 total cpu time spent up to now is 133.1 secs Computing kpt #: 139 total cpu time spent up to now is 134.2 secs Computing kpt #: 140 total cpu time spent up to now is 135.2 secs Computing kpt #: 141 total cpu time spent up to now is 136.4 secs Computing kpt #: 142 total cpu time spent up to now is 137.5 secs Computing kpt #: 143 total cpu time spent up to now is 138.5 secs Computing kpt #: 144 total cpu time spent up to now is 139.5 secs Computing kpt #: 145 total cpu time spent up to now is 140.4 secs Computing kpt #: 146 total cpu time spent up to now is 141.3 secs Computing kpt #: 147 total cpu time spent up to now is 142.2 secs Computing kpt #: 148 total cpu time spent up to now is 143.2 secs Computing kpt #: 149 total cpu time spent up to now is 144.1 secs Computing kpt #: 150 total cpu time spent up to now is 145.0 secs Computing kpt #: 151 total cpu time spent up to now is 145.8 secs Computing kpt #: 152 total cpu time spent up to now is 146.7 secs Computing kpt #: 153 total cpu time spent up to now is 147.6 secs Computing kpt #: 154 total cpu time spent up to now is 148.5 secs Computing kpt #: 155 total cpu time spent up to now is 149.3 secs Computing kpt #: 156 total cpu time spent up to now is 150.2 secs Computing kpt #: 157 total cpu time spent up to now is 151.0 secs Computing kpt #: 158 total cpu time spent up to now is 151.9 secs Computing kpt #: 159 total cpu time spent up to now is 152.8 secs Computing kpt #: 160 total cpu time spent up to now is 153.7 secs Computing kpt #: 161 total cpu time spent up to now is 154.5 secs Computing kpt #: 162 total cpu time spent up to now is 155.4 secs Computing kpt #: 163 total cpu time spent up to now is 156.2 secs Computing kpt #: 164 total cpu time spent up to now is 157.1 secs Computing kpt #: 165 total cpu time spent up to now is 157.9 secs Computing kpt #: 166 total cpu time spent up to now is 158.8 secs Computing kpt #: 167 total cpu time spent up to now is 159.6 secs Computing kpt #: 168 total cpu time spent up to now is 160.4 secs Computing kpt #: 169 total cpu time spent up to now is 161.2 secs Computing kpt #: 170 total cpu time spent up to now is 162.1 secs Computing kpt #: 171 total cpu time spent up to now is 162.9 secs Computing kpt #: 172 total cpu time spent up to now is 163.7 secs Computing kpt #: 173 total cpu time spent up to now is 164.5 secs Computing kpt #: 174 total cpu time spent up to now is 165.3 secs Computing kpt #: 175 total cpu time spent up to now is 166.1 secs Computing kpt #: 176 total cpu time spent up to now is 166.9 secs Computing kpt #: 177 total cpu time spent up to now is 167.7 secs Computing kpt #: 178 total cpu time spent up to now is 168.5 secs Computing kpt #: 179 total cpu time spent up to now is 169.3 secs Computing kpt #: 180 total cpu time spent up to now is 170.1 secs Computing kpt #: 181 total cpu time spent up to now is 171.0 secs Computing kpt #: 182 total cpu time spent up to now is 171.8 secs Computing kpt #: 183 total cpu time spent up to now is 172.6 secs Computing kpt #: 184 total cpu time spent up to now is 173.4 secs Computing kpt #: 185 total cpu time spent up to now is 174.2 secs Computing kpt #: 186 total cpu time spent up to now is 174.9 secs Computing kpt #: 187 total cpu time spent up to now is 175.7 secs Computing kpt #: 188 total cpu time spent up to now is 176.5 secs Computing kpt #: 189 total cpu time spent up to now is 177.3 secs Computing kpt #: 190 total cpu time spent up to now is 178.1 secs Computing kpt #: 191 total cpu time spent up to now is 178.9 secs Computing kpt #: 192 total cpu time spent up to now is 179.6 secs Computing kpt #: 193 total cpu time spent up to now is 180.4 secs Computing kpt #: 194 total cpu time spent up to now is 181.2 secs Computing kpt #: 195 total cpu time spent up to now is 182.0 secs Computing kpt #: 196 total cpu time spent up to now is 182.8 secs Computing kpt #: 197 total cpu time spent up to now is 183.6 secs Computing kpt #: 198 total cpu time spent up to now is 184.4 secs Computing kpt #: 199 total cpu time spent up to now is 185.2 secs Computing kpt #: 200 total cpu time spent up to now is 186.0 secs Computing kpt #: 201 total cpu time spent up to now is 186.8 secs Computing kpt #: 202 total cpu time spent up to now is 187.7 secs Computing kpt #: 203 total cpu time spent up to now is 188.5 secs Computing kpt #: 204 total cpu time spent up to now is 189.4 secs Computing kpt #: 205 total cpu time spent up to now is 190.3 secs Computing kpt #: 206 total cpu time spent up to now is 191.2 secs Computing kpt #: 207 total cpu time spent up to now is 192.0 secs Computing kpt #: 208 total cpu time spent up to now is 192.9 secs Computing kpt #: 209 total cpu time spent up to now is 193.7 secs Computing kpt #: 210 total cpu time spent up to now is 194.6 secs Computing kpt #: 211 total cpu time spent up to now is 195.4 secs Computing kpt #: 212 total cpu time spent up to now is 196.2 secs Computing kpt #: 213 total cpu time spent up to now is 197.0 secs Computing kpt #: 214 total cpu time spent up to now is 197.8 secs Computing kpt #: 215 total cpu time spent up to now is 198.6 secs Computing kpt #: 216 total cpu time spent up to now is 199.3 secs Computing kpt #: 217 total cpu time spent up to now is 200.1 secs Computing kpt #: 218 total cpu time spent up to now is 200.9 secs Computing kpt #: 219 total cpu time spent up to now is 201.6 secs Computing kpt #: 220 total cpu time spent up to now is 202.4 secs Computing kpt #: 221 total cpu time spent up to now is 203.2 secs Computing kpt #: 222 total cpu time spent up to now is 204.0 secs Computing kpt #: 223 total cpu time spent up to now is 204.8 secs Computing kpt #: 224 total cpu time spent up to now is 205.6 secs Computing kpt #: 225 total cpu time spent up to now is 206.4 secs Computing kpt #: 226 total cpu time spent up to now is 207.3 secs Computing kpt #: 227 total cpu time spent up to now is 208.1 secs Computing kpt #: 228 total cpu time spent up to now is 208.9 secs Computing kpt #: 229 total cpu time spent up to now is 209.8 secs Computing kpt #: 230 total cpu time spent up to now is 210.6 secs Computing kpt #: 231 total cpu time spent up to now is 211.5 secs Computing kpt #: 232 total cpu time spent up to now is 212.4 secs Computing kpt #: 233 total cpu time spent up to now is 213.3 secs Computing kpt #: 234 total cpu time spent up to now is 214.1 secs Computing kpt #: 235 total cpu time spent up to now is 215.0 secs Computing kpt #: 236 total cpu time spent up to now is 215.9 secs Computing kpt #: 237 total cpu time spent up to now is 216.8 secs Computing kpt #: 238 total cpu time spent up to now is 217.7 secs Computing kpt #: 239 total cpu time spent up to now is 218.6 secs Computing kpt #: 240 total cpu time spent up to now is 219.5 secs Computing kpt #: 241 total cpu time spent up to now is 220.3 secs Computing kpt #: 242 total cpu time spent up to now is 221.2 secs Computing kpt #: 243 total cpu time spent up to now is 222.1 secs Computing kpt #: 244 total cpu time spent up to now is 222.9 secs Computing kpt #: 245 total cpu time spent up to now is 223.8 secs Computing kpt #: 246 total cpu time spent up to now is 224.7 secs Computing kpt #: 247 total cpu time spent up to now is 225.5 secs Computing kpt #: 248 total cpu time spent up to now is 226.4 secs Computing kpt #: 249 total cpu time spent up to now is 227.3 secs Computing kpt #: 250 total cpu time spent up to now is 228.1 secs Computing kpt #: 251 total cpu time spent up to now is 229.0 secs Computing kpt #: 252 total cpu time spent up to now is 229.9 secs Computing kpt #: 253 total cpu time spent up to now is 230.7 secs Computing kpt #: 254 total cpu time spent up to now is 231.6 secs Computing kpt #: 255 total cpu time spent up to now is 232.5 secs Computing kpt #: 256 total cpu time spent up to now is 233.3 secs Computing kpt #: 257 total cpu time spent up to now is 234.2 secs Computing kpt #: 258 total cpu time spent up to now is 235.1 secs Computing kpt #: 259 total cpu time spent up to now is 235.9 secs Computing kpt #: 260 total cpu time spent up to now is 236.8 secs Computing kpt #: 261 total cpu time spent up to now is 237.7 secs Computing kpt #: 262 total cpu time spent up to now is 238.5 secs Computing kpt #: 263 total cpu time spent up to now is 239.4 secs Computing kpt #: 264 total cpu time spent up to now is 240.3 secs Computing kpt #: 265 total cpu time spent up to now is 241.2 secs Computing kpt #: 266 total cpu time spent up to now is 242.1 secs Computing kpt #: 267 total cpu time spent up to now is 243.0 secs Computing kpt #: 268 total cpu time spent up to now is 244.1 secs Computing kpt #: 269 total cpu time spent up to now is 245.0 secs Computing kpt #: 270 total cpu time spent up to now is 245.8 secs Computing kpt #: 271 total cpu time spent up to now is 246.6 secs Computing kpt #: 272 total cpu time spent up to now is 247.4 secs Computing kpt #: 273 total cpu time spent up to now is 248.1 secs Computing kpt #: 274 total cpu time spent up to now is 248.9 secs Computing kpt #: 275 total cpu time spent up to now is 249.7 secs Computing kpt #: 276 total cpu time spent up to now is 250.5 secs Computing kpt #: 277 total cpu time spent up to now is 251.3 secs Computing kpt #: 278 total cpu time spent up to now is 252.1 secs Computing kpt #: 279 total cpu time spent up to now is 252.9 secs Computing kpt #: 280 total cpu time spent up to now is 253.7 secs Computing kpt #: 281 total cpu time spent up to now is 254.5 secs Computing kpt #: 282 total cpu time spent up to now is 255.3 secs Computing kpt #: 283 total cpu time spent up to now is 256.2 secs Computing kpt #: 284 total cpu time spent up to now is 257.0 secs Computing kpt #: 285 total cpu time spent up to now is 258.1 secs Computing kpt #: 286 total cpu time spent up to now is 258.9 secs Computing kpt #: 287 total cpu time spent up to now is 259.9 secs Computing kpt #: 288 total cpu time spent up to now is 261.0 secs Computing kpt #: 289 total cpu time spent up to now is 261.8 secs Computing kpt #: 290 total cpu time spent up to now is 262.6 secs Computing kpt #: 291 total cpu time spent up to now is 263.6 secs Computing kpt #: 292 total cpu time spent up to now is 264.7 secs Computing kpt #: 293 total cpu time spent up to now is 265.8 secs Computing kpt #: 294 total cpu time spent up to now is 266.8 secs Computing kpt #: 295 total cpu time spent up to now is 267.7 secs Computing kpt #: 296 total cpu time spent up to now is 268.5 secs Computing kpt #: 297 total cpu time spent up to now is 269.4 secs Computing kpt #: 298 total cpu time spent up to now is 270.2 secs Computing kpt #: 299 total cpu time spent up to now is 271.1 secs Computing kpt #: 300 total cpu time spent up to now is 271.9 secs Computing kpt #: 301 total cpu time spent up to now is 272.7 secs Computing kpt #: 302 total cpu time spent up to now is 273.5 secs Computing kpt #: 303 total cpu time spent up to now is 274.3 secs Computing kpt #: 304 total cpu time spent up to now is 275.1 secs Computing kpt #: 305 total cpu time spent up to now is 275.9 secs Computing kpt #: 306 total cpu time spent up to now is 276.6 secs Computing kpt #: 307 total cpu time spent up to now is 277.4 secs Computing kpt #: 308 total cpu time spent up to now is 278.2 secs Computing kpt #: 309 total cpu time spent up to now is 279.0 secs Computing kpt #: 310 total cpu time spent up to now is 279.8 secs Computing kpt #: 311 total cpu time spent up to now is 280.5 secs ethr = 2.27E-08, avg # of iterations = 17.9 total cpu time spent up to now is 280.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14359 PWs) bands (ev): -40.1714 -40.1714 -40.1522 -40.1522 -40.1375 -40.1375 -40.1183 -40.1183 -5.5139 -5.5139 -5.2517 -5.2517 1.7693 1.7693 2.0051 2.0051 2.0897 2.0897 2.1136 2.1136 2.2023 2.2023 3.0798 3.0798 3.2408 3.2408 3.3955 3.3955 3.4268 3.4268 3.4894 3.4894 3.7098 3.7098 4.5321 4.5321 6.4787 6.4787 6.4875 6.4875 6.5247 6.5247 6.5662 6.5662 7.0328 7.0328 7.8973 7.8973 8.3371 8.3371 9.5009 9.5009 k = 0.0114 0.0066-0.0000 ( 14323 PWs) bands (ev): -40.1714 -40.1714 -40.1522 -40.1522 -40.1375 -40.1375 -40.1183 -40.1183 -5.5131 -5.5131 -5.2510 -5.2510 1.7698 1.7698 2.0048 2.0048 2.0892 2.0892 2.1135 2.1135 2.2019 2.2019 3.0799 3.0799 3.2410 3.2410 3.3957 3.3957 3.4264 3.4264 3.4889 3.4889 3.7098 3.7098 4.5332 4.5332 6.4488 6.4488 6.4632 6.4632 6.5275 6.5275 6.5568 6.5568 7.0651 7.0651 7.9100 7.9100 8.3387 8.3387 9.4976 9.4976 k = 0.0227 0.0131-0.0000 ( 14325 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1375 -40.1375 -40.1184 -40.1184 -5.5106 -5.5106 -5.2487 -5.2487 1.7715 1.7715 2.0039 2.0039 2.0878 2.0878 2.1130 2.1130 2.2008 2.2008 3.0802 3.0802 3.2414 3.2414 3.3961 3.3961 3.4252 3.4252 3.4874 3.4874 3.7098 3.7098 4.5365 4.5365 6.3600 6.3600 6.4253 6.4253 6.4913 6.4913 6.5584 6.5584 7.1428 7.1428 7.9466 7.9466 8.3437 8.3437 9.4902 9.4902 k = 0.0341 0.0197-0.0000 ( 14317 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1374 -40.1374 -40.1184 -40.1184 -5.5066 -5.5066 -5.2451 -5.2451 1.7742 1.7742 2.0022 2.0022 2.0857 2.0857 2.1118 2.1118 2.1993 2.1993 3.0806 3.0806 3.2422 3.2422 3.3967 3.3967 3.4232 3.4232 3.4850 3.4850 3.7097 3.7097 4.5419 4.5419 6.2429 6.2429 6.3749 6.3749 6.4280 6.4280 6.5590 6.5590 7.2383 7.2383 8.0021 8.0021 8.3528 8.3528 9.4834 9.4834 k = 0.0455 0.0262-0.0000 ( 14321 PWs) bands (ev): -40.1713 -40.1713 -40.1523 -40.1523 -40.1374 -40.1374 -40.1184 -40.1184 -5.5009 -5.5009 -5.2399 -5.2399 1.7781 1.7781 1.9991 1.9991 2.0833 2.0833 2.1096 2.1096 2.1980 2.1980 3.0813 3.0813 3.2433 3.2433 3.3977 3.3977 3.4202 3.4202 3.4820 3.4820 3.7097 3.7097 4.5494 4.5494 6.1120 6.1120 6.3139 6.3139 6.3500 6.3500 6.5504 6.5504 7.3366 7.3366 8.0701 8.0701 8.3674 8.3674 9.4826 9.4826 k = 0.0568 0.0328-0.0000 ( 14311 PWs) bands (ev): -40.1712 -40.1712 -40.1523 -40.1523 -40.1373 -40.1373 -40.1185 -40.1185 -5.4936 -5.4936 -5.2333 -5.2333 1.7830 1.7830 1.9943 1.9943 2.0809 2.0809 2.1059 2.1059 2.1973 2.1973 3.0821 3.0821 3.2445 3.2445 3.3989 3.3989 3.4162 3.4162 3.4785 3.4785 3.7096 3.7096 4.5588 4.5588 5.9744 5.9744 6.2363 6.2363 6.2695 6.2695 6.5319 6.5319 7.4304 7.4304 8.1424 8.1424 8.3901 8.3901 9.4905 9.4905 k = 0.0682 0.0394-0.0000 ( 14310 PWs) bands (ev): -40.1712 -40.1712 -40.1523 -40.1523 -40.1373 -40.1373 -40.1185 -40.1185 -5.4847 -5.4847 -5.2253 -5.2253 1.7889 1.7889 1.9871 1.9871 2.0781 2.0781 2.1009 2.1009 2.1979 2.1979 3.0831 3.0831 3.2460 3.2460 3.4001 3.4001 3.4114 3.4114 3.4749 3.4749 3.7095 3.7095 4.5701 4.5701 5.8339 5.8339 6.1386 6.1386 6.1947 6.1947 6.5038 6.5038 7.5162 7.5162 8.2099 8.2099 8.4253 8.4253 9.5094 9.5094 k = 0.0795 0.0459-0.0000 ( 14306 PWs) bands (ev): -40.1711 -40.1711 -40.1524 -40.1524 -40.1372 -40.1372 -40.1186 -40.1186 -5.4743 -5.4743 -5.2160 -5.2160 1.7958 1.7958 1.9771 1.9771 2.0733 2.0733 2.0966 2.0966 2.2003 2.2003 3.0841 3.0841 3.2476 3.2476 3.3994 3.3994 3.4075 3.4075 3.4714 3.4714 3.7093 3.7093 4.5830 4.5830 5.6925 5.6925 6.0303 6.0303 6.1197 6.1197 6.4668 6.4668 7.5921 7.5921 8.2644 8.2644 8.4760 8.4760 9.5415 9.5415 k = 0.0909 0.0525-0.0000 ( 14316 PWs) bands (ev): -40.1710 -40.1710 -40.1525 -40.1525 -40.1371 -40.1371 -40.1187 -40.1187 -5.4623 -5.4623 -5.2052 -5.2052 1.8036 1.8036 1.9643 1.9643 2.0635 2.0635 2.0956 2.0956 2.2044 2.2044 3.0853 3.0853 3.2492 3.2492 3.3932 3.3932 3.4083 3.4083 3.4681 3.4681 3.7091 3.7091 4.5974 4.5974 5.5516 5.5516 5.9166 5.9166 6.0425 6.0425 6.4219 6.4219 7.6574 7.6574 8.3046 8.3046 8.5390 8.5390 9.5892 9.5892 k = 0.1023 0.0590-0.0000 ( 14312 PWs) bands (ev): -40.1709 -40.1709 -40.1526 -40.1526 -40.1370 -40.1370 -40.1187 -40.1187 -5.4488 -5.4488 -5.1931 -5.1931 1.8121 1.8121 1.9487 1.9487 2.0487 2.0487 2.0983 2.0983 2.2104 2.2104 3.0864 3.0864 3.2509 3.2509 3.3840 3.3840 3.4114 3.4114 3.4652 3.4652 3.7088 3.7088 4.6130 4.6130 5.4122 5.4122 5.7997 5.7997 5.9631 5.9631 6.3702 6.3702 7.7123 7.7123 8.3352 8.3352 8.6054 8.6054 9.6545 9.6545 k = 0.1136 0.0656-0.0000 ( 14320 PWs) bands (ev): -40.1708 -40.1708 -40.1527 -40.1527 -40.1369 -40.1369 -40.1188 -40.1188 -5.4338 -5.4338 -5.1797 -5.1797 1.8210 1.8210 1.9307 1.9307 2.0300 2.0300 2.1034 2.1034 2.2181 2.2181 3.0876 3.0876 3.2524 3.2524 3.3733 3.3733 3.4156 3.4156 3.4627 3.4627 3.7084 3.7084 4.6298 4.6298 5.2751 5.2751 5.6811 5.6811 5.8819 5.8819 6.3125 6.3125 7.7574 7.7574 8.3604 8.3604 8.6681 8.6681 9.7386 9.7386 k = 0.1250 0.0722-0.0000 ( 14312 PWs) bands (ev): -40.1707 -40.1707 -40.1528 -40.1528 -40.1368 -40.1368 -40.1189 -40.1189 -5.4174 -5.4174 -5.1651 -5.1651 1.8296 1.8296 1.9108 1.9108 2.0082 2.0082 2.1104 2.1104 2.2272 2.2272 3.0886 3.0886 3.2537 3.2537 3.3616 3.3616 3.4208 3.4208 3.4606 3.4606 3.7079 3.7079 4.6473 4.6473 5.1410 5.1410 5.5619 5.5619 5.7995 5.7995 6.2499 6.2499 7.7939 7.7939 8.3825 8.3825 8.7233 8.7233 9.8410 9.8410 k = 0.1364 0.0787-0.0000 ( 14310 PWs) bands (ev): -40.1705 -40.1705 -40.1529 -40.1529 -40.1367 -40.1367 -40.1191 -40.1191 -5.3996 -5.3996 -5.1492 -5.1492 1.8354 1.8354 1.8915 1.8915 1.9838 1.9838 2.1188 2.1188 2.2377 2.2377 3.0895 3.0895 3.2547 3.2547 3.3491 3.3491 3.4269 3.4269 3.4589 3.4589 3.7073 3.7073 4.6649 4.6649 5.0108 5.0108 5.4430 5.4430 5.7163 5.7163 6.1833 6.1833 7.8230 7.8230 8.4022 8.4022 8.7702 8.7702 9.9601 9.9601 k = 0.1477 0.0853-0.0000 ( 14308 PWs) bands (ev): -40.1704 -40.1704 -40.1530 -40.1530 -40.1365 -40.1365 -40.1192 -40.1192 -5.3804 -5.3804 -5.1323 -5.1323 1.8308 1.8308 1.8802 1.8802 1.9574 1.9574 2.1286 2.1286 2.2495 2.2495 3.0901 3.0901 3.2552 3.2552 3.3363 3.3363 3.4339 3.4339 3.4575 3.4575 3.7065 3.7065 4.6812 4.6812 4.8863 4.8863 5.3251 5.3251 5.6325 5.6325 6.1134 6.1134 7.8459 7.8459 8.4197 8.4197 8.8098 8.8098 10.0912 10.0912 k = 0.1591 0.0919-0.0000 ( 14314 PWs) bands (ev): -40.1702 -40.1702 -40.1531 -40.1531 -40.1364 -40.1364 -40.1193 -40.1193 -5.3599 -5.3599 -5.1142 -5.1142 1.8100 1.8100 1.8813 1.8813 1.9304 1.9304 2.1395 2.1395 2.2625 2.2625 3.0903 3.0903 3.2552 3.2552 3.3236 3.3236 3.4413 3.4413 3.4571 3.4571 3.7056 3.7056 4.6859 4.6859 4.7779 4.7779 5.2088 5.2088 5.5487 5.5487 6.0410 6.0410 7.8637 7.8637 8.4351 8.4351 8.8435 8.8435 10.0282 10.0282 k = 0.1705 0.0984-0.0000 ( 14306 PWs) bands (ev): -40.1701 -40.1701 -40.1532 -40.1532 -40.1362 -40.1362 -40.1195 -40.1195 -5.3382 -5.3382 -5.0951 -5.0951 1.7800 1.7800 1.8793 1.8793 1.9116 1.9116 2.1515 2.1515 2.2765 2.2765 3.0900 3.0900 3.2544 3.2544 3.3112 3.3112 3.4474 3.4474 3.4593 3.4593 3.7046 3.7046 4.6198 4.6198 4.7448 4.7448 5.0948 5.0948 5.4651 5.4651 5.9667 5.9667 7.8775 7.8775 8.4484 8.4484 8.8729 8.8729 9.8874 9.8874 k = 0.1818 0.1050-0.0000 ( 14312 PWs) bands (ev): -40.1699 -40.1699 -40.1534 -40.1534 -40.1361 -40.1361 -40.1196 -40.1196 -5.3153 -5.3153 -5.0751 -5.0751 1.7450 1.7450 1.8549 1.8549 1.9160 1.9160 2.1644 2.1644 2.2916 2.2916 3.0889 3.0889 3.2525 3.2525 3.2998 3.2998 3.4493 3.4493 3.4669 3.4669 3.7033 3.7033 4.5128 4.5128 4.7574 4.7574 4.9836 4.9836 5.3819 5.3819 5.8911 5.8911 7.8881 7.8881 8.4595 8.4595 8.8995 8.8995 9.7473 9.7473 k = 0.1932 0.1115-0.0000 ( 14304 PWs) bands (ev): -40.1697 -40.1697 -40.1535 -40.1535 -40.1359 -40.1359 -40.1198 -40.1198 -5.2913 -5.2913 -5.0543 -5.0543 1.7064 1.7064 1.8217 1.8217 1.9287 1.9287 2.1784 2.1784 2.3077 2.3077 3.0868 3.0868 3.2494 3.2494 3.2899 3.2899 3.4490 3.4490 3.4779 3.4779 3.7019 3.7019 4.4051 4.4051 4.7750 4.7750 4.8758 4.8758 5.2995 5.2995 5.8145 5.8145 7.8963 7.8963 8.4686 8.4686 8.9244 8.9244 9.6088 9.6088 k = 0.2045 0.1181-0.0000 ( 14304 PWs) bands (ev): -40.1695 -40.1695 -40.1537 -40.1537 -40.1357 -40.1357 -40.1199 -40.1199 -5.2662 -5.2662 -5.0326 -5.0326 1.6646 1.6646 1.7858 1.7858 1.9436 1.9436 2.1932 2.1932 2.3247 2.3247 3.0836 3.0836 3.2449 3.2449 3.2820 3.2820 3.4483 3.4483 3.4904 3.4904 3.7004 3.7004 4.3013 4.3013 4.7678 4.7678 4.7975 4.7975 5.2181 5.2181 5.7375 5.7375 7.9025 7.9025 8.4757 8.4757 8.9484 8.9484 9.4726 9.4726 k = 0.2159 0.1247-0.0000 ( 14314 PWs) bands (ev): -40.1694 -40.1694 -40.1539 -40.1539 -40.1355 -40.1355 -40.1201 -40.1201 -5.2402 -5.2402 -5.0103 -5.0103 1.6197 1.6197 1.7482 1.7482 1.9596 1.9596 2.2090 2.2090 2.3426 2.3426 3.0790 3.0790 3.2393 3.2393 3.2760 3.2760 3.4474 3.4474 3.5039 3.5039 3.6989 3.6989 4.2023 4.2023 4.6698 4.6698 4.8137 4.8137 5.1379 5.1379 5.6604 5.6604 7.9073 7.9073 8.4812 8.4812 8.9721 8.9721 9.3391 9.3391 k = 0.2273 0.1312-0.0000 ( 14322 PWs) bands (ev): -40.1692 -40.1692 -40.1540 -40.1540 -40.1353 -40.1353 -40.1203 -40.1203 -5.2133 -5.2133 -4.9874 -4.9874 1.5721 1.5721 1.7091 1.7091 1.9762 1.9762 2.2256 2.2256 2.3613 2.3613 3.0728 3.0728 3.2333 3.2333 3.2716 3.2716 3.4465 3.4465 3.5177 3.5177 3.6976 3.6976 4.1085 4.1085 4.5743 4.5743 4.8308 4.8308 5.0596 5.0596 5.5836 5.5836 7.9110 7.9110 8.4851 8.4851 8.9959 8.9959 9.2088 9.2088 k = 0.2386 0.1378-0.0000 ( 14322 PWs) bands (ev): -40.1690 -40.1690 -40.1542 -40.1542 -40.1351 -40.1351 -40.1205 -40.1205 -5.1856 -5.1856 -4.9640 -4.9640 1.5219 1.5219 1.6689 1.6689 1.9933 1.9933 2.2429 2.2429 2.3808 2.3808 3.0649 3.0649 3.2277 3.2277 3.2680 3.2680 3.4456 3.4456 3.5313 3.5313 3.6969 3.6969 4.0200 4.0200 4.4838 4.4838 4.8453 4.8453 4.9846 4.9846 5.5072 5.5072 7.9138 7.9138 8.4877 8.4877 9.0199 9.0199 9.0822 9.0822 k = 0.2500 0.1443-0.0000 ( 14336 PWs) bands (ev): -40.1687 -40.1687 -40.1544 -40.1544 -40.1349 -40.1349 -40.1207 -40.1207 -5.1572 -5.1572 -4.9403 -4.9403 1.4694 1.4694 1.6277 1.6277 2.0108 2.0108 2.2611 2.2611 2.4010 2.4010 3.0553 3.0553 3.2229 3.2229 3.2650 3.2650 3.4447 3.4447 3.5436 3.5436 3.6976 3.6976 3.9370 3.9370 4.3988 4.3988 4.8487 4.8487 4.9210 4.9210 5.4316 5.4316 7.9160 7.9160 8.4892 8.4892 8.9574 8.9574 9.0466 9.0466 k = 0.2614 0.1509-0.0000 ( 14342 PWs) bands (ev): -40.1685 -40.1685 -40.1546 -40.1546 -40.1347 -40.1347 -40.1209 -40.1209 -5.1283 -5.1283 -4.9163 -4.9163 1.4151 1.4151 1.5856 1.5856 2.0285 2.0285 2.2799 2.2799 2.4218 2.4218 3.0442 3.0442 3.2191 3.2191 3.2623 3.2623 3.4438 3.4438 3.5531 3.5531 3.7007 3.7007 3.8597 3.8597 4.3198 4.3198 4.8093 4.8093 4.9005 4.9005 5.3570 5.3570 7.9178 7.9178 8.4898 8.4898 8.8384 8.8384 9.0726 9.0726 k = 0.2727 0.1575-0.0000 ( 14336 PWs) bands (ev): -40.1683 -40.1683 -40.1548 -40.1548 -40.1345 -40.1345 -40.1211 -40.1211 -5.0989 -5.0989 -4.8923 -4.8923 1.3591 1.3591 1.5429 1.5429 2.0463 2.0463 2.2995 2.2995 2.4433 2.4433 3.0318 3.0318 3.2163 3.2163 3.2596 3.2596 3.4429 3.4429 3.5580 3.5580 3.7069 3.7069 3.7886 3.7886 4.2473 4.2473 4.7427 4.7427 4.9071 4.9071 5.2837 5.2837 7.9192 7.9192 8.4896 8.4896 8.7233 8.7233 9.0999 9.0999 k = 0.2841 0.1640-0.0000 ( 14342 PWs) bands (ev): -40.1681 -40.1681 -40.1550 -40.1550 -40.1343 -40.1343 -40.1213 -40.1213 -5.0691 -5.0691 -4.8682 -4.8682 1.3021 1.3021 1.4996 1.4996 2.0642 2.0642 2.3197 2.3197 2.4652 2.4652 3.0183 3.0183 3.2144 3.2144 3.2571 3.2571 3.4420 3.4420 3.5570 3.5570 3.7056 3.7056 3.7353 3.7353 4.1819 4.1819 4.6730 4.6730 4.9168 4.9168 5.2118 5.2118 7.9204 7.9204 8.4887 8.4887 8.6128 8.6128 9.1285 9.1285 k = 0.2955 0.1706-0.0000 ( 14346 PWs) bands (ev): -40.1678 -40.1678 -40.1552 -40.1552 -40.1340 -40.1340 -40.1215 -40.1215 -5.0392 -5.0392 -4.8443 -4.8443 1.2443 1.2443 1.4561 1.4561 2.0820 2.0820 2.3404 2.3404 2.4875 2.4875 3.0040 3.0040 3.2132 3.2132 3.2545 3.2545 3.4410 3.4410 3.5496 3.5496 3.6543 3.6543 3.7425 3.7425 4.1239 4.1239 4.6039 4.6039 4.9254 4.9254 5.1418 5.1418 7.9214 7.9214 8.4870 8.4870 8.5074 8.5074 9.1584 9.1584 k = 0.3068 0.1771-0.0000 ( 14332 PWs) bands (ev): -40.1676 -40.1676 -40.1554 -40.1554 -40.1338 -40.1338 -40.1217 -40.1217 -5.0092 -5.0092 -4.8208 -4.8208 1.1862 1.1862 1.4124 1.4124 2.0997 2.0997 2.3617 2.3617 2.5102 2.5102 2.9892 2.9892 3.2125 3.2125 3.2520 3.2520 3.4399 3.4399 3.5362 3.5362 3.5989 3.5989 3.7636 3.7636 4.0735 4.0735 4.5364 4.5364 4.9317 4.9317 5.0739 5.0739 7.9224 7.9224 8.4061 8.4061 8.4859 8.4859 9.1895 9.1895 k = 0.3182 0.1837-0.0000 ( 14324 PWs) bands (ev): -40.1674 -40.1674 -40.1556 -40.1556 -40.1336 -40.1336 -40.1219 -40.1219 -4.9793 -4.9793 -4.7977 -4.7977 1.1283 1.1283 1.3690 1.3690 2.1172 2.1172 2.3833 2.3833 2.5330 2.5330 2.9740 2.9740 3.2121 3.2121 3.2495 3.2495 3.4385 3.4385 3.5174 3.5174 3.5484 3.5484 3.7890 3.7890 4.0307 4.0307 4.4708 4.4708 4.9340 4.9340 5.0098 5.0098 7.9232 7.9232 8.3107 8.3107 8.4839 8.4839 9.2218 9.2218 k = 0.3295 0.1903-0.0000 ( 14324 PWs) bands (ev): -40.1671 -40.1671 -40.1559 -40.1559 -40.1333 -40.1333 -40.1222 -40.1222 -4.9497 -4.9497 -4.7753 -4.7753 1.0711 1.0711 1.3259 1.3259 2.1344 2.1344 2.4053 2.4053 2.5559 2.5559 2.9588 2.9588 3.2117 3.2117 3.2470 3.2470 3.4362 3.4362 3.4910 3.4910 3.5069 3.5069 3.8174 3.8174 3.9952 3.9952 4.4073 4.4073 4.9212 4.9212 4.9604 4.9604 7.9241 7.9241 8.2209 8.2209 8.4818 8.4818 9.2554 9.2554 k = 0.3409 0.1968-0.0000 ( 14330 PWs) bands (ev): -40.1669 -40.1669 -40.1561 -40.1561 -40.1331 -40.1331 -40.1224 -40.1224 -4.9204 -4.9204 -4.7536 -4.7536 1.0150 1.0150 1.2836 1.2836 2.1511 2.1511 2.4275 2.4275 2.5787 2.5787 2.9435 2.9435 3.2111 3.2111 3.2447 3.2447 3.4316 3.4316 3.4537 3.4537 3.4802 3.4802 3.8476 3.8476 3.9668 3.9668 4.3462 4.3462 4.8719 4.8719 4.9470 4.9470 7.9248 7.9248 8.1367 8.1367 8.4795 8.4795 9.2900 9.2900 k = 0.3523 0.2034-0.0000 ( 14320 PWs) bands (ev): -40.1666 -40.1666 -40.1563 -40.1563 -40.1328 -40.1328 -40.1226 -40.1226 -4.8917 -4.8917 -4.7329 -4.7329 0.9604 0.9604 1.2424 1.2424 2.1674 2.1674 2.4498 2.4498 2.6012 2.6012 2.9285 2.9285 3.2102 3.2102 3.2425 3.2425 3.4154 3.4154 3.4227 3.4227 3.4619 3.4619 3.8778 3.8778 3.9460 3.9460 4.2877 4.2877 4.8145 4.8145 4.9413 4.9413 7.9256 7.9256 8.0584 8.0584 8.4772 8.4772 9.3255 9.3255 k = 0.3636 0.2099-0.0000 ( 14328 PWs) bands (ev): -40.1664 -40.1664 -40.1565 -40.1565 -40.1326 -40.1326 -40.1228 -40.1228 -4.8638 -4.8638 -4.7133 -4.7133 0.9079 0.9079 1.2025 1.2025 2.1831 2.1831 2.4720 2.4720 2.6234 2.6234 2.9138 2.9138 3.2087 3.2087 3.2404 3.2404 3.3824 3.3824 3.4032 3.4032 3.4524 3.4524 3.8989 3.8989 3.9406 3.9406 4.2319 4.2319 4.7584 4.7584 4.9340 4.9340 7.9261 7.9261 7.9864 7.9864 8.4750 8.4750 9.3618 9.3618 k = 0.3750 0.2165-0.0000 ( 14336 PWs) bands (ev): -40.1662 -40.1662 -40.1567 -40.1567 -40.1324 -40.1324 -40.1230 -40.1230 -4.8368 -4.8368 -4.6950 -4.6950 0.8578 0.8578 1.1643 1.1643 2.1981 2.1981 2.4941 2.4941 2.6448 2.6448 2.8997 2.8997 3.2063 3.2063 3.2386 3.2386 3.3528 3.3528 3.3797 3.3797 3.4484 3.4484 3.8965 3.8965 3.9637 3.9637 4.1791 4.1791 4.7049 4.7049 4.9241 4.9241 7.9165 7.9165 7.9305 7.9305 8.4727 8.4727 9.3986 9.3986 k = 0.3864 0.2231-0.0000 ( 14334 PWs) bands (ev): -40.1660 -40.1660 -40.1569 -40.1569 -40.1322 -40.1322 -40.1232 -40.1232 -4.8109 -4.8109 -4.6781 -4.6781 0.8106 0.8106 1.1280 1.1280 2.2124 2.2124 2.5156 2.5156 2.6655 2.6655 2.8862 2.8862 3.2028 3.2028 3.2370 3.2370 3.3269 3.3269 3.3559 3.3559 3.4466 3.4466 3.8872 3.8872 3.9974 3.9974 4.1299 4.1299 4.6544 4.6544 4.9114 4.9114 7.8590 7.8590 7.9286 7.9286 8.4706 8.4706 9.4356 9.4356 k = 0.3977 0.2296-0.0000 ( 14348 PWs) bands (ev): -40.1657 -40.1657 -40.1571 -40.1571 -40.1320 -40.1320 -40.1234 -40.1234 -4.7863 -4.7863 -4.6628 -4.6628 0.7667 0.7667 1.0941 1.0941 2.2258 2.2258 2.5366 2.5366 2.6850 2.6850 2.8734 2.8734 3.1982 3.1982 3.2356 3.2356 3.3043 3.3043 3.3340 3.3340 3.4456 3.4456 3.8784 3.8784 4.0314 4.0314 4.0864 4.0864 4.6074 4.6074 4.8960 4.8960 7.8052 7.8052 7.9292 7.9292 8.4686 8.4686 9.4724 9.4724 k = 0.4091 0.2362-0.0000 ( 14364 PWs) bands (ev): -40.1655 -40.1655 -40.1573 -40.1573 -40.1318 -40.1318 -40.1236 -40.1236 -4.7633 -4.7633 -4.6491 -4.6491 0.7263 0.7263 1.0629 1.0629 2.2382 2.2382 2.5566 2.5566 2.7031 2.7031 2.8616 2.8616 3.1925 3.1925 3.2341 3.2341 3.2845 3.2845 3.3154 3.3154 3.4450 3.4450 3.8709 3.8709 4.0328 4.0328 4.0798 4.0798 4.5641 4.5641 4.8782 4.8782 7.7574 7.7574 7.9298 7.9298 8.4667 8.4667 9.5084 9.5084 k = 0.4205 0.2427-0.0000 ( 14364 PWs) bands (ev): -40.1653 -40.1653 -40.1575 -40.1575 -40.1316 -40.1316 -40.1238 -40.1238 -4.7419 -4.7419 -4.6372 -4.6372 0.6899 0.6899 1.0345 1.0345 2.2495 2.2495 2.5754 2.5754 2.7197 2.7197 2.8509 2.8509 3.1861 3.1861 3.2320 3.2320 3.2673 3.2673 3.3007 3.3007 3.4447 3.4447 3.8648 3.8648 3.9977 3.9977 4.1137 4.1137 4.5249 4.5249 4.8582 4.8582 7.7157 7.7157 7.9304 7.9304 8.4650 8.4650 9.5432 9.5432 k = 0.4318 0.2493-0.0000 ( 14372 PWs) bands (ev): -40.1652 -40.1652 -40.1577 -40.1577 -40.1314 -40.1314 -40.1240 -40.1240 -4.7225 -4.7225 -4.6271 -4.6271 0.6577 0.6577 1.0093 1.0093 2.2596 2.2596 2.5927 2.5927 2.7343 2.7343 2.8415 2.8415 3.1795 3.1795 3.2283 3.2283 3.2535 3.2535 3.2899 3.2899 3.4445 3.4445 3.8598 3.8598 3.9640 3.9640 4.1496 4.1496 4.4901 4.4901 4.8368 4.8368 7.6799 7.6799 7.9309 7.9309 8.4635 8.4635 9.5760 9.5760 k = 0.4432 0.2559-0.0000 ( 14360 PWs) bands (ev): -40.1650 -40.1650 -40.1578 -40.1578 -40.1312 -40.1312 -40.1241 -40.1241 -4.7053 -4.7053 -4.6189 -4.6189 0.6300 0.6300 0.9876 0.9876 2.2684 2.2684 2.6081 2.6081 2.7467 2.7467 2.8335 2.8335 3.1732 3.1732 3.2216 3.2216 3.2448 3.2448 3.2822 3.2822 3.4444 3.4444 3.8557 3.8557 3.9344 3.9344 4.1843 4.1843 4.4599 4.4599 4.8148 4.8148 7.6498 7.6498 7.9314 7.9314 8.4622 8.4622 9.6060 9.6060 k = 0.4545 0.2624-0.0000 ( 14348 PWs) bands (ev): -40.1649 -40.1649 -40.1580 -40.1580 -40.1311 -40.1311 -40.1243 -40.1243 -4.6906 -4.6906 -4.6125 -4.6125 0.6070 0.6070 0.9695 0.9695 2.2758 2.2758 2.6214 2.6214 2.7568 2.7568 2.8272 2.8272 3.1676 3.1676 3.2126 3.2126 3.2407 3.2407 3.2769 3.2769 3.4444 3.4444 3.8523 3.8523 3.9098 3.9098 4.2162 4.2162 4.4348 4.4348 4.7933 4.7933 7.6255 7.6255 7.9318 7.9318 8.4612 8.4612 9.6323 9.6323 k = 0.4659 0.2690-0.0000 ( 14352 PWs) bands (ev): -40.1647 -40.1647 -40.1581 -40.1581 -40.1310 -40.1310 -40.1244 -40.1244 -4.6785 -4.6785 -4.6079 -4.6079 0.5889 0.5889 0.9552 0.9552 2.2817 2.2817 2.6321 2.6321 2.7642 2.7642 2.8226 2.8226 3.1631 3.1631 3.2041 3.2041 3.2387 3.2387 3.2733 3.2733 3.4444 3.4444 3.8494 3.8494 3.8906 3.8906 4.2438 4.2438 4.4150 4.4150 4.7736 4.7736 7.6068 7.6068 7.9321 7.9321 8.4603 8.4603 9.6540 9.6540 k = 0.4773 0.2756-0.0000 ( 14350 PWs) bands (ev): -40.1647 -40.1647 -40.1582 -40.1582 -40.1309 -40.1309 -40.1244 -40.1244 -4.6696 -4.6696 -4.6049 -4.6049 0.5759 0.5759 0.9449 0.9449 2.2860 2.2860 2.6401 2.6401 2.7691 2.7691 2.8198 2.8198 3.1598 3.1598 3.1975 3.1975 3.2377 3.2377 3.2710 3.2710 3.4444 3.4444 3.8469 3.8469 3.8771 3.8771 4.2655 4.2655 4.4008 4.4008 4.7576 4.7576 7.5935 7.5935 7.9324 7.9324 8.4597 8.4597 9.6703 9.6703 k = 0.4886 0.2821-0.0000 ( 14362 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1309 -40.1309 -40.1245 -40.1245 -4.6640 -4.6640 -4.6032 -4.6032 0.5680 0.5680 0.9387 0.9387 2.2886 2.2886 2.6450 2.6450 2.7718 2.7718 2.8183 2.8183 3.1578 3.1578 3.1933 3.1933 3.2372 3.2372 3.2698 3.2698 3.4445 3.4445 3.8450 3.8450 3.8694 3.8694 4.2794 4.2794 4.3922 4.3922 4.7470 4.7470 7.5855 7.5855 7.9325 7.9325 8.4593 8.4593 9.6804 9.6804 k = 0.5000 0.2887-0.0000 ( 14346 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6621 -4.6621 -4.6027 -4.6027 0.5654 0.5654 0.9366 0.9366 2.2894 2.2894 2.6466 2.6466 2.7726 2.7726 2.8179 2.8179 3.1572 3.1572 3.1920 3.1920 3.2370 3.2370 3.2694 3.2694 3.4445 3.4445 3.8442 3.8442 3.8669 3.8669 4.2842 4.2842 4.3893 4.3893 4.7433 4.7433 7.5829 7.5829 7.9326 7.9326 8.4592 8.4592 9.6838 9.6838 k = 0.5000 0.2887-0.0000 ( 14346 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6621 -4.6621 -4.6027 -4.6027 0.5654 0.5654 0.9366 0.9366 2.2894 2.2894 2.6466 2.6466 2.7726 2.7726 2.8179 2.8179 3.1572 3.1572 3.1920 3.1920 3.2370 3.2370 3.2694 3.2694 3.4445 3.4445 3.8442 3.8442 3.8669 3.8669 4.2842 4.2842 4.3893 4.3893 4.7433 4.7433 7.5829 7.5829 7.9326 7.9326 8.4592 8.4592 9.6838 9.6838 k = 0.4936 0.2998-0.0000 ( 14358 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6617 -4.6617 -4.6024 -4.6024 0.5658 0.5658 0.9376 0.9376 2.2898 2.2898 2.6456 2.6456 2.7723 2.7723 2.8171 2.8171 3.1547 3.1547 3.1931 3.1931 3.2356 3.2356 3.2705 3.2705 3.4443 3.4443 3.8433 3.8433 3.8649 3.8649 4.2859 4.2859 4.3840 4.3840 4.7438 4.7438 7.5763 7.5763 7.9408 7.9408 8.4693 8.4693 9.6849 9.6849 k = 0.4872 0.3109-0.0000 ( 14336 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6606 -4.6606 -4.6014 -4.6014 0.5672 0.5672 0.9406 0.9406 2.2907 2.2907 2.6425 2.6425 2.7711 2.7711 2.8146 2.8146 3.1481 3.1481 3.1958 3.1958 3.2319 3.2319 3.2734 3.2734 3.4438 3.4438 3.8401 3.8401 3.8597 3.8597 4.2909 4.2909 4.3685 4.3685 4.7453 4.7453 7.5570 7.5570 7.9653 7.9653 8.4992 8.4992 9.6883 9.6883 k = 0.4808 0.3220-0.0000 ( 14320 PWs) bands (ev): -40.1645 -40.1645 -40.1583 -40.1583 -40.1308 -40.1308 -40.1245 -40.1245 -4.6587 -4.6587 -4.5998 -4.5998 0.5693 0.5693 0.9456 0.9456 2.2923 2.2923 2.6373 2.6373 2.7690 2.7690 2.8105 2.8105 3.1387 3.1387 3.1984 3.1984 3.2271 3.2271 3.2771 3.2771 3.4428 3.4428 3.8318 3.8318 3.8542 3.8542 4.2987 4.2987 4.3440 4.3440 4.7477 4.7477 7.5254 7.5254 8.0056 8.0056 8.5484 8.5484 9.6939 9.6939 k = 0.4744 0.3331-0.0000 ( 14316 PWs) bands (ev): -40.1645 -40.1645 -40.1583 -40.1583 -40.1307 -40.1307 -40.1246 -40.1246 -4.6562 -4.6562 -4.5976 -4.5976 0.5723 0.5723 0.9526 0.9526 2.2944 2.2944 2.6299 2.6299 2.7661 2.7661 2.8048 2.8048 3.1271 3.1271 3.1997 3.1997 3.2224 3.2224 3.2812 3.2812 3.4415 3.4415 3.8170 3.8170 3.8507 3.8507 4.3005 4.3005 4.3202 4.3202 4.7511 4.7511 7.4827 7.4827 8.0611 8.0611 8.6160 8.6160 9.7019 9.7019 k = 0.4679 0.3442-0.0000 ( 14328 PWs) bands (ev): -40.1645 -40.1645 -40.1583 -40.1583 -40.1307 -40.1307 -40.1246 -40.1246 -4.6529 -4.6529 -4.5948 -4.5948 0.5761 0.5761 0.9615 0.9615 2.2972 2.2972 2.6201 2.6201 2.7621 2.7621 2.7974 2.7974 3.1137 3.1137 3.1988 3.1988 3.2187 3.2187 3.2854 3.2854 3.4398 3.4398 3.7973 3.7973 3.8482 3.8482 4.2652 4.2652 4.3297 4.3297 4.7555 4.7555 7.4299 7.4299 8.1311 8.1311 8.7006 8.7006 9.7121 9.7121 k = 0.4615 0.3553-0.0000 ( 14332 PWs) bands (ev): -40.1644 -40.1644 -40.1584 -40.1584 -40.1306 -40.1306 -40.1247 -40.1247 -4.6490 -4.6490 -4.5914 -4.5914 0.5805 0.5805 0.9724 0.9724 2.3006 2.3006 2.6078 2.6078 2.7570 2.7570 2.7883 2.7883 3.0988 3.0988 3.1957 3.1957 3.2162 3.2162 3.2895 3.2895 3.4377 3.4377 3.7744 3.7744 3.8461 3.8461 4.2191 4.2191 4.3476 4.3476 4.7607 4.7607 7.3685 7.3685 8.2144 8.2144 8.8010 8.8010 9.7247 9.7247 k = 0.4551 0.3664-0.0000 ( 14332 PWs) bands (ev): -40.1643 -40.1643 -40.1585 -40.1585 -40.1306 -40.1306 -40.1247 -40.1247 -4.6444 -4.6444 -4.5876 -4.5876 0.5856 0.5856 0.9852 0.9852 2.3046 2.3046 2.5927 2.5927 2.7504 2.7504 2.7775 2.7775 3.0826 3.0826 3.1913 3.1913 3.2142 3.2142 3.2935 3.2935 3.4352 3.4352 3.7496 3.7496 3.8437 3.8437 4.1688 4.1688 4.3691 4.3691 4.7668 4.7668 7.2997 7.2997 8.3100 8.3100 8.9157 8.9157 9.7398 9.7398 k = 0.4487 0.3775-0.0000 ( 14320 PWs) bands (ev): -40.1643 -40.1643 -40.1585 -40.1585 -40.1305 -40.1305 -40.1248 -40.1248 -4.6392 -4.6392 -4.5832 -4.5832 0.5913 0.5913 0.9998 0.9998 2.3092 2.3092 2.5749 2.5749 2.7421 2.7421 2.7650 2.7650 3.0658 3.0658 3.1865 3.1865 3.2118 3.2118 3.2974 3.2974 3.4323 3.4323 3.7237 3.7237 3.8410 3.8410 4.1164 4.1164 4.3937 4.3937 4.7737 4.7737 7.2248 7.2248 8.4166 8.4166 9.0431 9.0431 9.7576 9.7576 k = 0.4423 0.3886-0.0000 ( 14300 PWs) bands (ev): -40.1642 -40.1642 -40.1586 -40.1586 -40.1304 -40.1304 -40.1249 -40.1249 -4.6335 -4.6335 -4.5785 -4.5785 0.5974 0.5974 1.0162 1.0162 2.3143 2.3143 2.5541 2.5541 2.7312 2.7312 2.7513 2.7513 3.0487 3.0487 3.1817 3.1817 3.2087 3.2087 3.3011 3.3011 3.4290 3.4290 3.6976 3.6976 3.8375 3.8375 4.0639 4.0639 4.4213 4.4213 4.7815 4.7815 7.1450 7.1450 8.5332 8.5332 9.1816 9.1816 9.7785 9.7785 k = 0.4359 0.3997-0.0000 ( 14294 PWs) bands (ev): -40.1641 -40.1641 -40.1587 -40.1587 -40.1303 -40.1303 -40.1250 -40.1250 -4.6273 -4.6273 -4.5734 -4.5734 0.6038 0.6038 1.0343 1.0343 2.3199 2.3199 2.5305 2.5305 2.7162 2.7162 2.7374 2.7374 3.0321 3.0321 3.1771 3.1771 3.2050 3.2050 3.3045 3.3045 3.4253 3.4253 3.6720 3.6720 3.8328 3.8328 4.0134 4.0134 4.4516 4.4516 4.7899 4.7899 7.0613 7.0613 8.6585 8.6585 9.3291 9.3291 9.8032 9.8032 k = 0.4295 0.4108-0.0000 ( 14294 PWs) bands (ev): -40.1640 -40.1640 -40.1588 -40.1588 -40.1302 -40.1302 -40.1251 -40.1251 -4.6206 -4.6206 -4.5680 -4.5680 0.6105 0.6105 1.0540 1.0540 2.3260 2.3260 2.5044 2.5044 2.6959 2.6959 2.7241 2.7241 3.0164 3.0164 3.1728 3.1728 3.2006 3.2006 3.3075 3.3075 3.4213 3.4213 3.6473 3.6473 3.8260 3.8260 3.9671 3.9671 4.4845 4.4845 4.7991 4.7991 6.9747 6.9747 8.7913 8.7913 9.4823 9.4823 9.8341 9.8341 k = 0.4231 0.4219-0.0000 ( 14290 PWs) bands (ev): -40.1638 -40.1638 -40.1589 -40.1589 -40.1301 -40.1301 -40.1252 -40.1252 -4.6135 -4.6135 -4.5625 -4.5625 0.6172 0.6172 1.0753 1.0753 2.3323 2.3323 2.4761 2.4761 2.6702 2.6702 2.7113 2.7113 3.0023 3.0023 3.1687 3.1687 3.1960 3.1960 3.3100 3.3100 3.4170 3.4170 3.6240 3.6240 3.8151 3.8151 3.9278 3.9278 4.5197 4.5197 4.8090 4.8090 6.8861 6.8861 8.9302 8.9302 9.6332 9.6332 9.8780 9.8780 k = 0.4167 0.4330-0.0000 ( 14294 PWs) bands (ev): -40.1637 -40.1637 -40.1590 -40.1590 -40.1300 -40.1300 -40.1253 -40.1253 -4.6061 -4.6061 -4.5568 -4.5568 0.6238 0.6238 1.0979 1.0979 2.3385 2.3385 2.4465 2.4465 2.6398 2.6398 2.6983 2.6983 2.9899 2.9899 3.1649 3.1649 3.1912 3.1912 3.3118 3.3118 3.4124 3.4124 3.6023 3.6023 3.7981 3.7981 3.8986 3.8986 4.5571 4.5571 4.8195 4.8195 6.7963 6.7963 9.0741 9.0741 9.7590 9.7590 9.9570 9.9570 k = 0.4103 0.4441-0.0000 ( 14290 PWs) bands (ev): -40.1636 -40.1636 -40.1592 -40.1592 -40.1298 -40.1298 -40.1255 -40.1255 -4.5985 -4.5985 -4.5511 -4.5511 0.6302 0.6302 1.1217 1.1217 2.3436 2.3436 2.4172 2.4172 2.6049 2.6049 2.6851 2.6851 2.9795 2.9795 3.1613 3.1613 3.1867 3.1867 3.3128 3.3128 3.4079 3.4079 3.5824 3.5824 3.7748 3.7748 3.8800 3.8800 4.5964 4.5964 4.8306 4.8306 6.7059 6.7059 9.2214 9.2214 9.8358 9.8358 10.0940 10.0940 k = 0.4038 0.4552-0.0000 ( 14292 PWs) bands (ev): -40.1634 -40.1634 -40.1593 -40.1593 -40.1297 -40.1297 -40.1256 -40.1256 -4.5907 -4.5907 -4.5454 -4.5454 0.6362 0.6362 1.1466 1.1466 2.3437 2.3437 2.3927 2.3927 2.5663 2.5663 2.6715 2.6715 2.9709 2.9709 3.1580 3.1580 3.1827 3.1827 3.3129 3.3129 3.4035 3.4035 3.5646 3.5646 3.7483 3.7483 3.8690 3.8690 4.6372 4.6372 4.8422 4.8422 6.6157 6.6157 9.3707 9.3707 9.8844 9.8844 10.2674 10.2674 k = 0.3974 0.4663-0.0000 ( 14288 PWs) bands (ev): -40.1633 -40.1633 -40.1595 -40.1595 -40.1295 -40.1295 -40.1257 -40.1257 -4.5828 -4.5828 -4.5400 -4.5400 0.6416 0.6416 1.1722 1.1722 2.3297 2.3297 2.3827 2.3827 2.5249 2.5249 2.6577 2.6577 2.9641 2.9641 3.1551 3.1551 3.1791 3.1791 3.3119 3.3119 3.3994 3.3994 3.5488 3.5488 3.7220 3.7220 3.8624 3.8624 4.6791 4.6791 4.8545 4.8545 6.5265 6.5265 9.5202 9.5202 9.9247 9.9247 10.4565 10.4565 k = 0.3910 0.4774-0.0000 ( 14296 PWs) bands (ev): -40.1631 -40.1631 -40.1596 -40.1596 -40.1294 -40.1294 -40.1259 -40.1259 -4.5749 -4.5749 -4.5348 -4.5348 0.6464 0.6464 1.1983 1.1983 2.3042 2.3042 2.3849 2.3849 2.4822 2.4822 2.6436 2.6436 2.9587 2.9587 3.1527 3.1527 3.1762 3.1762 3.3098 3.3098 3.3959 3.3959 3.5349 3.5349 3.6975 3.6975 3.8580 3.8580 4.7215 4.7215 4.8673 4.8673 6.4389 6.4389 9.6679 9.6679 9.9631 9.9631 10.6538 10.6538 k = 0.3846 0.4885-0.0000 ( 14295 PWs) bands (ev): -40.1629 -40.1629 -40.1598 -40.1598 -40.1292 -40.1292 -40.1261 -40.1261 -4.5671 -4.5671 -4.5300 -4.5300 0.6504 0.6504 1.2244 1.2244 2.2763 2.2763 2.3886 2.3886 2.4416 2.4416 2.6294 2.6294 2.9546 2.9546 3.1509 3.1509 3.1738 3.1738 3.3066 3.3066 3.3930 3.3930 3.5230 3.5230 3.6757 3.6757 3.8549 3.8549 4.7638 4.7638 4.8808 4.8808 6.3539 6.3539 9.8114 9.8114 10.0014 10.0014 10.8291 10.8291 k = 0.3782 0.4996-0.0000 ( 14297 PWs) bands (ev): -40.1628 -40.1628 -40.1599 -40.1599 -40.1290 -40.1290 -40.1262 -40.1262 -4.5595 -4.5595 -4.5257 -4.5257 0.6536 0.6536 1.2502 1.2502 2.2492 2.2492 2.3766 2.3766 2.4190 2.4190 2.6152 2.6152 2.9515 2.9515 3.1499 3.1499 3.1718 3.1718 3.3025 3.3025 3.3909 3.3909 3.5128 3.5128 3.6566 3.6566 3.8526 3.8526 4.8049 4.8049 4.8954 4.8954 6.2723 6.2723 9.9478 9.9478 10.0406 10.0406 10.8575 10.8575 k = 0.3718 0.5107-0.0000 ( 14301 PWs) bands (ev): -40.1626 -40.1626 -40.1601 -40.1601 -40.1289 -40.1289 -40.1264 -40.1264 -4.5521 -4.5521 -4.5220 -4.5220 0.6559 0.6559 1.2749 1.2749 2.2239 2.2239 2.3420 2.3420 2.4220 2.4220 2.6011 2.6011 2.9492 2.9492 3.1497 3.1497 3.1703 3.1703 3.2976 3.2976 3.3894 3.3894 3.5043 3.5043 3.6402 3.6402 3.8508 3.8508 4.8429 4.8429 4.9115 4.9115 6.1953 6.1953 10.0721 10.0721 10.0824 10.0824 10.8814 10.8814 k = 0.3654 0.5218-0.0000 ( 14295 PWs) bands (ev): -40.1624 -40.1624 -40.1603 -40.1603 -40.1287 -40.1287 -40.1266 -40.1266 -4.5452 -4.5452 -4.5190 -4.5190 0.6574 0.6574 1.2979 1.2979 2.2009 2.2009 2.3058 2.3058 2.4311 2.4311 2.5872 2.5872 2.9476 2.9476 3.1501 3.1501 3.1691 3.1691 3.2924 3.2924 3.3884 3.3884 3.4973 3.4973 3.6265 3.6265 3.8494 3.8494 4.8754 4.8754 4.9304 4.9304 6.1244 6.1244 10.1216 10.1216 10.1854 10.1854 10.9047 10.9047 k = 0.3590 0.5329-0.0000 ( 14319 PWs) bands (ev): -40.1622 -40.1622 -40.1605 -40.1605 -40.1285 -40.1285 -40.1268 -40.1268 -4.5388 -4.5388 -4.5168 -4.5168 0.6581 0.6581 1.3184 1.3184 2.1804 2.1804 2.2741 2.2741 2.4415 2.4415 2.5737 2.5737 2.9464 2.9464 3.1511 3.1511 3.1681 3.1681 3.2872 3.2872 3.3878 3.3878 3.4916 3.4916 3.6153 3.6153 3.8484 3.8484 4.9006 4.9006 4.9523 4.9523 6.0615 6.0615 10.1640 10.1640 10.2763 10.2763 10.9268 10.9268 k = 0.3526 0.5440-0.0000 ( 14327 PWs) bands (ev): -40.1620 -40.1620 -40.1607 -40.1607 -40.1283 -40.1283 -40.1270 -40.1270 -4.5330 -4.5330 -4.5156 -4.5156 0.6582 0.6582 1.3355 1.3355 2.1627 2.1627 2.2493 2.2493 2.4521 2.4521 2.5609 2.5609 2.9457 2.9457 3.1524 3.1524 3.1674 3.1674 3.2824 3.2824 3.3875 3.3875 3.4873 3.4873 3.6066 3.6066 3.8476 3.8476 4.9192 4.9192 4.9740 4.9740 6.0087 6.0087 10.2073 10.2073 10.3411 10.3411 10.9468 10.9468 k = 0.3462 0.5551-0.0000 ( 14335 PWs) bands (ev): -40.1618 -40.1618 -40.1609 -40.1609 -40.1281 -40.1281 -40.1272 -40.1272 -4.5279 -4.5279 -4.5153 -4.5153 0.6579 0.6579 1.3483 1.3483 2.1484 2.1484 2.2320 2.2320 2.4620 2.4620 2.5496 2.5496 2.9452 2.9452 3.1537 3.1537 3.1669 3.1669 3.2785 3.2785 3.3874 3.3874 3.4842 3.4842 3.6003 3.6003 3.8470 3.8470 4.9334 4.9334 4.9911 4.9911 5.9685 5.9685 10.2513 10.2513 10.3739 10.3739 10.9634 10.9634 k = 0.3397 0.5662-0.0000 ( 14335 PWs) bands (ev): -40.1616 -40.1616 -40.1611 -40.1611 -40.1279 -40.1279 -40.1274 -40.1274 -4.5240 -4.5240 -4.5160 -4.5160 0.6575 0.6575 1.3563 1.3563 2.1390 2.1390 2.2223 2.2223 2.4697 2.4697 2.5411 2.5411 2.9449 2.9449 3.1547 3.1547 3.1665 3.1665 3.2759 3.2759 3.3874 3.3874 3.4823 3.4823 3.5965 3.5965 3.8467 3.8467 4.9438 4.9438 5.0006 5.0006 5.9432 5.9432 10.2957 10.2957 10.3725 10.3725 10.9744 10.9747 k = 0.3333 0.5774-0.0000 ( 14337 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5168 -4.5168 0.6573 0.6573 1.3589 1.3589 2.1357 2.1357 2.2192 2.2192 2.4727 2.4727 2.5377 2.5377 2.9448 2.9448 3.1551 3.1551 3.1665 3.1665 3.2750 3.2750 3.3873 3.3873 3.4817 3.4817 3.5952 3.5952 3.8466 3.8466 4.9484 4.9484 5.0028 5.0028 5.9346 5.9346 10.3374 10.3374 10.3436 10.3436 10.9719 10.9719 k = 0.3333 0.5774-0.0000 ( 14337 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5168 -4.5168 0.6573 0.6573 1.3589 1.3589 2.1357 2.1357 2.2192 2.2192 2.4727 2.4727 2.5377 2.5377 2.9448 2.9448 3.1551 3.1551 3.1665 3.1665 3.2750 3.2750 3.3873 3.3873 3.4817 3.4817 3.5952 3.5952 3.8466 3.8466 4.9484 4.9484 5.0028 5.0028 5.9346 5.9346 10.3374 10.3374 10.3436 10.3436 10.9719 10.9719 k = 0.3268 0.5660-0.0000 ( 14327 PWs) bands (ev): -40.1616 -40.1616 -40.1611 -40.1611 -40.1279 -40.1279 -40.1274 -40.1274 -4.5242 -4.5242 -4.5159 -4.5159 0.6576 0.6576 1.3563 1.3563 2.1392 2.1392 2.2221 2.2221 2.4694 2.4694 2.5413 2.5413 2.9449 2.9449 3.1547 3.1547 3.1665 3.1665 3.2760 3.2760 3.3874 3.3874 3.4824 3.4824 3.5966 3.5966 3.8467 3.8467 4.9411 4.9411 5.0031 5.0031 5.9435 5.9435 10.2848 10.2848 10.3857 10.3857 10.9729 10.9730 k = 0.3203 0.5547-0.0000 ( 14337 PWs) bands (ev): -40.1618 -40.1618 -40.1609 -40.1609 -40.1281 -40.1281 -40.1272 -40.1272 -4.5291 -4.5291 -4.5149 -4.5149 0.6589 0.6589 1.3489 1.3489 2.1497 2.1497 2.2304 2.2304 2.4610 2.4610 2.5505 2.5505 2.9453 2.9453 3.1535 3.1535 3.1668 3.1668 3.2790 3.2790 3.3874 3.3874 3.4845 3.4845 3.6008 3.6008 3.8470 3.8470 4.9170 4.9170 5.0072 5.0072 5.9690 5.9690 10.2142 10.2142 10.4296 10.4296 10.9580 10.9580 k = 0.3137 0.5434-0.0000 ( 14329 PWs) bands (ev): -40.1621 -40.1621 -40.1606 -40.1606 -40.1284 -40.1284 -40.1269 -40.1269 -4.5358 -4.5358 -4.5148 -4.5148 0.6615 0.6615 1.3376 1.3376 2.1661 2.1661 2.2437 2.2437 2.4497 2.4497 2.5631 2.5631 2.9460 2.9460 3.1519 3.1519 3.1671 3.1671 3.2838 3.2838 3.3875 3.3875 3.4882 3.4882 3.6079 3.6079 3.8477 3.8477 4.8790 4.8790 5.0143 5.0143 6.0093 6.0093 10.1345 10.1345 10.4716 10.4716 10.9315 10.9315 k = 0.3072 0.5321-0.0000 ( 14335 PWs) bands (ev): -40.1623 -40.1623 -40.1604 -40.1604 -40.1286 -40.1286 -40.1267 -40.1267 -4.5443 -4.5443 -4.5159 -4.5159 0.6658 0.6658 1.3238 1.3238 2.1868 2.1868 2.2616 2.2616 2.4371 2.4371 2.5775 2.5775 2.9472 2.9472 3.1502 3.1502 3.1675 3.1675 3.2899 3.2899 3.3877 3.3877 3.4937 3.4937 3.6181 3.6181 3.8486 3.8486 4.8313 4.8313 5.0223 5.0223 6.0618 6.0618 10.0494 10.0494 10.5104 10.5104 10.8957 10.8957 k = 0.3007 0.5207-0.0000 ( 14333 PWs) bands (ev): -40.1626 -40.1626 -40.1602 -40.1602 -40.1288 -40.1288 -40.1265 -40.1265 -4.5544 -4.5544 -4.5183 -4.5183 0.6721 0.6721 1.3086 1.3086 2.2098 2.2098 2.2840 2.2840 2.4240 2.4240 2.5930 2.5930 2.9492 2.9492 3.1489 3.1489 3.1680 3.1680 3.2969 3.2969 3.3882 3.3882 3.5013 3.5013 3.6316 3.6316 3.8498 3.8498 4.7773 4.7773 5.0304 5.0304 6.1245 6.1245 9.9614 9.9614 10.5445 10.5445 10.8533 10.8533 k = 0.2941 0.5094-0.0000 ( 14307 PWs) bands (ev): -40.1628 -40.1628 -40.1599 -40.1599 -40.1291 -40.1291 -40.1262 -40.1262 -4.5663 -4.5663 -4.5222 -4.5222 0.6807 0.6807 1.2931 1.2931 2.2333 2.2333 2.3104 2.3104 2.4108 2.4108 2.6094 2.6094 2.9524 2.9524 3.1485 3.1485 3.1688 3.1688 3.3042 3.3042 3.3889 3.3889 3.5113 3.5113 3.6484 3.6484 3.8514 3.8514 4.7191 4.7191 5.0380 5.0380 6.1954 6.1954 9.8722 9.8722 10.5718 10.5718 10.8069 10.8069 k = 0.2876 0.4981-0.0000 ( 14311 PWs) bands (ev): -40.1631 -40.1631 -40.1597 -40.1597 -40.1293 -40.1293 -40.1260 -40.1260 -4.5799 -4.5799 -4.5274 -4.5274 0.6920 0.6920 1.2784 1.2784 2.2556 2.2556 2.3400 2.3400 2.3980 2.3980 2.6263 2.6263 2.9571 2.9571 3.1494 3.1494 3.1700 3.1700 3.3112 3.3112 3.3901 3.3901 3.5240 3.5240 3.6687 3.6687 3.8534 3.8534 4.6583 4.6583 5.0449 5.0449 6.2733 6.2733 9.7826 9.7826 10.5901 10.5901 10.7588 10.7588 k = 0.2810 0.4868-0.0000 ( 14315 PWs) bands (ev): -40.1633 -40.1633 -40.1594 -40.1594 -40.1296 -40.1296 -40.1257 -40.1257 -4.5951 -4.5951 -4.5342 -4.5342 0.7061 0.7061 1.2650 1.2650 2.2755 2.2755 2.3694 2.3694 2.3881 2.3881 2.6437 2.6437 2.9639 2.9639 3.1520 3.1520 3.1718 3.1718 3.3175 3.3175 3.3917 3.3917 3.5398 3.5398 3.6927 3.6927 3.8558 3.8558 4.5963 4.5963 5.0508 5.0508 6.3569 6.3569 9.6934 9.6934 10.5968 10.5968 10.7107 10.7107 k = 0.2745 0.4755-0.0000 ( 14317 PWs) bands (ev): -40.1636 -40.1636 -40.1592 -40.1592 -40.1299 -40.1299 -40.1255 -40.1255 -4.6121 -4.6121 -4.5425 -4.5425 0.7231 0.7231 1.2538 1.2538 2.2914 2.2914 2.3733 2.3733 2.4058 2.4058 2.6615 2.6615 2.9734 2.9734 3.1559 3.1559 3.1753 3.1753 3.3228 3.3228 3.3938 3.3938 3.5590 3.5590 3.7204 3.7204 3.8588 3.8588 4.5339 4.5339 5.0558 5.0558 6.4455 6.4455 9.6052 9.6052 10.5897 10.5897 10.6644 10.6644 k = 0.2680 0.4641-0.0000 ( 14329 PWs) bands (ev): -40.1639 -40.1639 -40.1589 -40.1589 -40.1301 -40.1301 -40.1252 -40.1252 -4.6307 -4.6307 -4.5522 -4.5522 0.7432 0.7432 1.2450 1.2450 2.3009 2.3009 2.3683 2.3683 2.4350 2.4350 2.6799 2.6799 2.9861 2.9861 3.1601 3.1601 3.1821 3.1821 3.3270 3.3270 3.3962 3.3962 3.5818 3.5818 3.7519 3.7519 3.8625 3.8625 4.4718 4.4718 5.0597 5.0597 6.5385 6.5385 9.5183 9.5183 10.5675 10.5675 10.6209 10.6209 k = 0.2614 0.4528-0.0000 ( 14325 PWs) bands (ev): -40.1641 -40.1641 -40.1587 -40.1587 -40.1304 -40.1304 -40.1249 -40.1249 -4.6508 -4.6508 -4.5635 -4.5635 0.7666 0.7666 1.2391 1.2391 2.3013 2.3013 2.3692 2.3692 2.4616 2.4616 2.6988 2.6988 3.0025 3.0025 3.1632 3.1632 3.1940 3.1940 3.3302 3.3302 3.3989 3.3989 3.6086 3.6086 3.7873 3.7873 3.8669 3.8669 4.4105 4.4105 5.0624 5.0624 6.6355 6.6355 9.4330 9.4330 10.5319 10.5319 10.5797 10.5797 k = 0.2549 0.4415-0.0000 ( 14321 PWs) bands (ev): -40.1644 -40.1644 -40.1584 -40.1584 -40.1306 -40.1306 -40.1247 -40.1247 -4.6725 -4.6725 -4.5762 -4.5762 0.7931 0.7931 1.2362 1.2362 2.2939 2.2939 2.3749 2.3749 2.4838 2.4838 2.7182 2.7182 3.0230 3.0230 3.1653 3.1653 3.2113 3.2113 3.3325 3.3325 3.4018 3.4018 3.6394 3.6394 3.8267 3.8267 3.8723 3.8723 4.3504 4.3504 5.0638 5.0638 6.7362 6.7362 9.3494 9.3494 10.4859 10.4859 10.5398 10.5398 k = 0.2484 0.4302-0.0000 ( 14327 PWs) bands (ev): -40.1647 -40.1647 -40.1581 -40.1581 -40.1309 -40.1309 -40.1244 -40.1244 -4.6956 -4.6956 -4.5904 -4.5904 0.8227 0.8227 1.2365 1.2365 2.2823 2.2823 2.3817 2.3817 2.5010 2.5010 2.7383 2.7383 3.0474 3.0474 3.1670 3.1670 3.2334 3.2334 3.3344 3.3344 3.4048 3.4048 3.6744 3.6744 3.8699 3.8699 3.8789 3.8789 4.2920 4.2920 5.0639 5.0639 6.8402 6.8402 9.2677 9.2677 10.4312 10.4312 10.5022 10.5022 k = 0.2418 0.4189-0.0000 ( 14315 PWs) bands (ev): -40.1649 -40.1649 -40.1579 -40.1579 -40.1312 -40.1312 -40.1242 -40.1242 -4.7199 -4.7199 -4.6060 -4.6060 0.8554 0.8554 1.2400 1.2400 2.2685 2.2685 2.3873 2.3873 2.5129 2.5129 2.7588 2.7588 3.0755 3.0755 3.1688 3.1688 3.2596 3.2596 3.3364 3.3364 3.4078 3.4078 3.7136 3.7136 3.8871 3.8871 3.9169 3.9169 4.2357 4.2357 5.0627 5.0627 6.9473 6.9473 9.1881 9.1881 10.3689 10.3689 10.4429 10.4429 k = 0.2353 0.4075-0.0000 ( 14311 PWs) bands (ev): -40.1652 -40.1652 -40.1576 -40.1576 -40.1314 -40.1314 -40.1239 -40.1239 -4.7455 -4.7455 -4.6228 -4.6228 0.8911 0.8911 1.2467 1.2467 2.2534 2.2534 2.3909 2.3909 2.5196 2.5196 2.7797 2.7797 3.1063 3.1063 3.1714 3.1714 3.2882 3.2882 3.3395 3.3395 3.4107 3.4107 3.7569 3.7569 3.8973 3.8973 3.9674 3.9674 4.1820 4.1820 5.0601 5.0601 7.0575 7.0575 9.1106 9.1106 10.3008 10.3008 10.3677 10.3677 k = 0.2288 0.3962-0.0000 ( 14323 PWs) bands (ev): -40.1655 -40.1655 -40.1574 -40.1574 -40.1317 -40.1317 -40.1237 -40.1237 -4.7722 -4.7722 -4.6410 -4.6410 0.9297 0.9297 1.2567 1.2567 2.2377 2.2377 2.3919 2.3919 2.5219 2.5219 2.8009 2.8009 3.1365 3.1365 3.1774 3.1774 3.3141 3.3141 3.3484 3.3484 3.4138 3.4138 3.8035 3.8035 3.9107 3.9107 4.0197 4.0197 4.1329 4.1329 5.0561 5.0561 7.1704 7.1704 9.0353 9.0353 10.2288 10.2288 10.2908 10.2908 k = 0.2222 0.3849-0.0000 ( 14317 PWs) bands (ev): -40.1657 -40.1657 -40.1571 -40.1571 -40.1320 -40.1320 -40.1234 -40.1234 -4.7998 -4.7998 -4.6602 -4.6602 0.9708 0.9708 1.2697 1.2697 2.2213 2.2213 2.3904 2.3904 2.5203 2.5203 2.8223 2.8223 3.1560 3.1560 3.1966 3.1966 3.3276 3.3276 3.3717 3.3717 3.4172 3.4172 3.8508 3.8508 3.9300 3.9300 4.0553 4.0553 4.1077 4.1077 5.0507 5.0507 7.2861 7.2861 8.9622 8.9622 10.1543 10.1543 10.2129 10.2129 k = 0.2157 0.3736-0.0000 ( 14325 PWs) bands (ev): -40.1660 -40.1660 -40.1569 -40.1569 -40.1322 -40.1322 -40.1232 -40.1232 -4.8282 -4.8282 -4.6805 -4.6805 1.0144 1.0144 1.2856 1.2856 2.2046 2.2046 2.3865 2.3865 2.5154 2.5154 2.8437 2.8437 3.1624 3.1624 3.2297 3.2297 3.3346 3.3346 3.4012 3.4012 3.4234 3.4234 3.8906 3.8906 3.9616 3.9616 4.0289 4.0289 4.1539 4.1539 5.0439 5.0439 7.4045 7.4045 8.8915 8.8915 10.0784 10.0784 10.1343 10.1343 k = 0.2092 0.3623-0.0000 ( 14335 PWs) bands (ev): -40.1663 -40.1663 -40.1566 -40.1566 -40.1325 -40.1325 -40.1229 -40.1229 -4.8574 -4.8574 -4.7018 -4.7018 1.0601 1.0601 1.3043 1.3043 2.1875 2.1875 2.3804 2.3804 2.5078 2.5078 2.8650 2.8650 3.1649 3.1649 3.2642 3.2642 3.3445 3.3445 3.4161 3.4161 3.4459 3.4459 3.9118 3.9118 3.9890 3.9890 4.0224 4.0224 4.2180 4.2180 5.0357 5.0357 7.5253 7.5253 8.8230 8.8230 10.0019 10.0019 10.0554 10.0554 k = 0.2026 0.3509-0.0000 ( 14329 PWs) bands (ev): -40.1665 -40.1665 -40.1564 -40.1564 -40.1328 -40.1328 -40.1227 -40.1227 -4.8871 -4.8871 -4.7239 -4.7239 1.1077 1.1077 1.3256 1.3256 2.1702 2.1702 2.3725 2.3725 2.4981 2.4981 2.8862 2.8862 3.1663 3.1663 3.2897 3.2897 3.3663 3.3663 3.4204 3.4204 3.4783 3.4783 3.9036 3.9036 3.9883 3.9883 4.0835 4.0835 4.2871 4.2871 5.0261 5.0261 7.6487 7.6487 8.7569 8.7569 9.9254 9.9254 9.9766 9.9766 k = 0.1961 0.3396-0.0000 ( 14341 PWs) bands (ev): -40.1668 -40.1668 -40.1562 -40.1562 -40.1330 -40.1330 -40.1224 -40.1224 -4.9173 -4.9173 -4.7467 -4.7467 1.1569 1.1569 1.3492 1.3492 2.1525 2.1525 2.3629 2.3629 2.4867 2.4867 2.9072 2.9072 3.1674 3.1674 3.3020 3.3020 3.4031 3.4031 3.4232 3.4232 3.5108 3.5108 3.8741 3.8741 4.0091 4.0091 4.1566 4.1566 4.3600 4.3600 5.0153 5.0153 7.7744 7.7744 8.6931 8.6931 9.8493 9.8493 9.8981 9.8981 k = 0.1895 0.3283-0.0000 ( 14339 PWs) bands (ev): -40.1671 -40.1671 -40.1559 -40.1559 -40.1333 -40.1333 -40.1222 -40.1222 -4.9477 -4.9477 -4.7702 -4.7702 1.2074 1.2074 1.3749 1.3749 2.1347 2.1347 2.3519 2.3519 2.4739 2.4739 2.9279 2.9279 3.1683 3.1683 3.3069 3.3069 3.4255 3.4255 3.4479 3.4479 3.5429 3.5429 3.8402 3.8402 4.0404 4.0404 4.2361 4.2361 4.4361 4.4361 5.0032 5.0032 7.9023 7.9023 8.6316 8.6316 9.7740 9.7740 9.8202 9.8202 k = 0.1830 0.3170-0.0000 ( 14335 PWs) bands (ev): -40.1673 -40.1673 -40.1557 -40.1557 -40.1335 -40.1335 -40.1220 -40.1220 -4.9783 -4.9783 -4.7941 -4.7941 1.2589 1.2589 1.4025 1.4025 2.1168 2.1168 2.3398 2.3398 2.4601 2.4601 2.9482 2.9482 3.1694 3.1694 3.3088 3.3088 3.4277 3.4277 3.4920 3.4920 3.5776 3.5776 3.8075 3.8075 4.0785 4.0785 4.3205 4.3205 4.5152 4.5152 4.9899 4.9899 8.0326 8.0326 8.5724 8.5724 9.6997 9.6997 9.7431 9.7431 k = 0.1765 0.3057-0.0000 ( 14345 PWs) bands (ev): -40.1676 -40.1676 -40.1555 -40.1555 -40.1338 -40.1338 -40.1217 -40.1217 -5.0090 -5.0090 -4.8183 -4.8183 1.3110 1.3110 1.4316 1.4316 2.0987 2.0987 2.3267 2.3267 2.4456 2.4456 2.9680 2.9680 3.1706 3.1706 3.3095 3.3095 3.4298 3.4298 3.5273 3.5273 3.6208 3.6208 3.7778 3.7778 4.1228 4.1228 4.4090 4.4090 4.5970 4.5970 4.9757 4.9757 8.1649 8.1649 8.5155 8.5155 9.6267 9.6267 9.6668 9.6668 k = 0.1699 0.2943-0.0000 ( 14333 PWs) bands (ev): -40.1678 -40.1678 -40.1552 -40.1552 -40.1340 -40.1340 -40.1215 -40.1215 -5.0396 -5.0396 -4.8428 -4.8428 1.3634 1.3634 1.4621 1.4621 2.0806 2.0806 2.3130 2.3130 2.4304 2.4304 2.9870 2.9870 3.1721 3.1721 3.3097 3.3097 3.4317 3.4317 3.5495 3.5495 3.6756 3.6756 3.7526 3.7526 4.1729 4.1729 4.5010 4.5010 4.6811 4.6811 4.9607 4.9607 8.2993 8.2993 8.4610 8.4610 9.5549 9.5549 9.5917 9.5917 k = 0.1634 0.2830-0.0000 ( 14329 PWs) bands (ev): -40.1681 -40.1681 -40.1550 -40.1550 -40.1343 -40.1343 -40.1213 -40.1213 -5.0700 -5.0700 -4.8675 -4.8675 1.4158 1.4158 1.4936 1.4936 2.0624 2.0624 2.2988 2.2988 2.4149 2.4149 3.0051 3.0051 3.1741 3.1741 3.3096 3.3096 3.4336 3.4336 3.5603 3.5603 3.7243 3.7243 3.7481 3.7481 4.2285 4.2285 4.5957 4.5957 4.7670 4.7670 4.9457 4.9457 8.4080 8.4080 8.4363 8.4363 9.4846 9.4846 9.5177 9.5177 k = 0.1569 0.2717-0.0000 ( 14333 PWs) bands (ev): -40.1683 -40.1683 -40.1548 -40.1548 -40.1345 -40.1345 -40.1211 -40.1211 -5.1000 -5.1000 -4.8921 -4.8921 1.4677 1.4677 1.5259 1.5259 2.0444 2.0444 2.2842 2.2842 2.3991 2.3991 3.0221 3.0221 3.1769 3.1769 3.3095 3.3095 3.4355 3.4355 3.5621 3.5621 3.7141 3.7141 3.8150 3.8150 4.2895 4.2895 4.6921 4.6921 4.8523 4.8523 4.9331 4.9331 8.3582 8.3582 8.5742 8.5742 9.4158 9.4158 9.4450 9.4450 k = 0.1503 0.2604-0.0000 ( 14333 PWs) bands (ev): -40.1685 -40.1685 -40.1546 -40.1546 -40.1347 -40.1347 -40.1209 -40.1209 -5.1296 -5.1296 -4.9166 -4.9166 1.5189 1.5189 1.5588 1.5588 2.0264 2.0264 2.2694 2.2694 2.3833 2.3833 3.0375 3.0375 3.1806 3.1806 3.3093 3.3093 3.4372 3.4372 3.5567 3.5567 3.7053 3.7053 3.8918 3.8918 4.3555 4.3555 4.7867 4.7867 4.9045 4.9045 4.9586 4.9586 8.3101 8.3101 8.7141 8.7141 9.3485 9.3485 9.3737 9.3737 k = 0.1438 0.2491-0.0000 ( 14339 PWs) bands (ev): -40.1688 -40.1688 -40.1544 -40.1544 -40.1349 -40.1349 -40.1207 -40.1207 -5.1587 -5.1587 -4.9409 -4.9409 1.5690 1.5690 1.5922 1.5922 2.0086 2.0086 2.2545 2.2545 2.3675 2.3675 3.0511 3.0511 3.1856 3.1856 3.3093 3.3093 3.4390 3.4390 3.5462 3.5462 3.7008 3.7008 3.9739 3.9739 4.4263 4.4263 4.8531 4.8531 4.9277 4.9277 5.0439 5.0439 8.2641 8.2641 8.8556 8.8556 9.2828 9.2828 9.3038 9.3038 k = 0.1373 0.2377-0.0000 ( 14335 PWs) bands (ev): -40.1690 -40.1690 -40.1542 -40.1542 -40.1351 -40.1351 -40.1205 -40.1205 -5.1871 -5.1871 -4.9649 -4.9649 1.6164 1.6164 1.6268 1.6268 1.9911 1.9911 2.2397 2.2397 2.3518 2.3518 3.0626 3.0626 3.1919 3.1919 3.3095 3.3095 3.4406 3.4406 3.5329 3.5329 3.6991 3.6991 4.0608 4.0608 4.5017 4.5017 4.8530 4.8530 5.0129 5.0129 5.1356 5.1356 8.2200 8.2200 8.9979 8.9979 9.2191 9.2191 9.2353 9.2353 k = 0.1307 0.2264-0.0000 ( 14327 PWs) bands (ev): -40.1692 -40.1692 -40.1540 -40.1540 -40.1353 -40.1353 -40.1203 -40.1203 -5.2148 -5.2148 -4.9884 -4.9884 1.6550 1.6550 1.6684 1.6684 1.9740 1.9740 2.2250 2.2250 2.3364 2.3364 3.0719 3.0719 3.1996 3.1996 3.3100 3.3100 3.4422 3.4422 3.5183 3.5183 3.6992 3.6992 4.1523 4.1523 4.5815 4.5815 4.8371 4.8371 5.1137 5.1137 5.2290 5.2290 8.1777 8.1777 9.1265 9.1265 9.1660 9.1660 9.1743 9.1743 k = 0.1242 0.2151-0.0000 ( 14335 PWs) bands (ev): -40.1694 -40.1694 -40.1539 -40.1539 -40.1355 -40.1355 -40.1201 -40.1201 -5.2417 -5.2417 -5.0114 -5.0114 1.6880 1.6880 1.7135 1.7135 1.9573 1.9573 2.2106 2.2106 2.3214 2.3214 3.0789 3.0789 3.2084 3.2084 3.3110 3.3110 3.4437 3.4437 3.5037 3.5037 3.7000 3.7000 4.2483 4.2483 4.6653 4.6653 4.8187 4.8187 5.2173 5.2173 5.3231 5.3231 8.1372 8.1372 9.0887 9.0887 9.1025 9.1025 9.2938 9.2938 k = 0.1176 0.2038-0.0000 ( 14329 PWs) bands (ev): -40.1696 -40.1696 -40.1537 -40.1537 -40.1357 -40.1357 -40.1199 -40.1199 -5.2677 -5.2677 -5.0337 -5.0337 1.7194 1.7194 1.7572 1.7572 1.9412 1.9412 2.1966 2.1966 2.3068 2.3068 3.0839 3.0839 3.2179 3.2179 3.3128 3.3128 3.4451 3.4451 3.4897 3.4897 3.7012 3.7012 4.3486 4.3486 4.7506 4.7506 4.8022 4.8022 5.3217 5.3217 5.4174 5.4174 8.0981 8.0981 9.0281 9.0281 9.0387 9.0387 9.4396 9.4396 k = 0.1111 0.1925-0.0000 ( 14331 PWs) bands (ev): -40.1698 -40.1698 -40.1535 -40.1535 -40.1359 -40.1359 -40.1198 -40.1198 -5.2927 -5.2927 -5.0554 -5.0554 1.7495 1.7495 1.7990 1.7990 1.9259 1.9259 2.1831 2.1831 2.2927 2.2927 3.0873 3.0873 3.2272 3.2272 3.3157 3.3157 3.4461 3.4461 3.4770 3.4770 3.7025 3.7025 4.4527 4.4527 4.7752 4.7752 4.8507 4.8507 5.4261 5.4261 5.5115 5.5115 8.0603 8.0603 8.9672 8.9672 8.9766 8.9766 9.5871 9.5871 k = 0.1046 0.1811-0.0000 ( 14331 PWs) bands (ev): -40.1699 -40.1699 -40.1534 -40.1534 -40.1361 -40.1361 -40.1196 -40.1196 -5.3166 -5.3166 -5.0762 -5.0762 1.7780 1.7780 1.8385 1.8385 1.9117 1.9117 2.1701 2.1701 2.2792 2.2792 3.0893 3.0893 3.2356 3.2356 3.3201 3.3201 3.4465 3.4465 3.4662 3.4662 3.7037 3.7037 4.5591 4.5591 4.7593 4.7593 4.9451 4.9451 5.5298 5.5298 5.6050 5.6050 8.0234 8.0234 8.9064 8.9064 8.9158 8.9158 9.7350 9.7350 k = 0.0980 0.1698-0.0000 ( 14319 PWs) bands (ev): -40.1701 -40.1701 -40.1532 -40.1532 -40.1362 -40.1362 -40.1195 -40.1195 -5.3394 -5.3394 -5.0961 -5.0961 1.8039 1.8039 1.8757 1.8757 1.8993 1.8993 2.1578 2.1578 2.2663 2.2663 3.0903 3.0903 3.2425 3.2425 3.3262 3.3262 3.4446 3.4446 3.4589 3.4589 3.7049 3.7049 4.6587 4.6587 4.7533 4.7533 5.0445 5.0445 5.6323 5.6323 5.6974 5.6974 7.9870 7.9870 8.8459 8.8459 8.8559 8.8559 9.8817 9.8817 k = 0.0915 0.1585-0.0000 ( 14319 PWs) bands (ev): -40.1702 -40.1702 -40.1531 -40.1531 -40.1364 -40.1364 -40.1193 -40.1193 -5.3610 -5.3610 -5.1151 -5.1151 1.8254 1.8254 1.8904 1.8904 1.9105 1.9105 2.1462 2.1462 2.2543 2.2543 3.0905 3.0905 3.2474 3.2474 3.3342 3.3342 3.4389 3.4389 3.4567 3.4567 3.7058 3.7058 4.6937 4.6937 4.8159 4.8159 5.1475 5.1475 5.7329 5.7329 5.7883 5.7883 7.9504 7.9504 8.7859 8.7859 8.7963 8.7963 9.9317 9.9317 k = 0.0850 0.1472-0.0000 ( 14323 PWs) bands (ev): -40.1704 -40.1704 -40.1530 -40.1530 -40.1365 -40.1365 -40.1192 -40.1192 -5.3813 -5.3813 -5.1331 -5.1331 1.8373 1.8373 1.8904 1.8904 1.9425 1.9425 2.1355 2.1355 2.2430 2.2430 3.0903 3.0903 3.2504 3.2504 3.3437 3.3437 3.4319 3.4319 3.4572 3.4572 3.7067 3.7067 4.6820 4.6820 4.9293 4.9293 5.2537 5.2537 5.8309 5.8309 5.8772 5.8772 7.9130 7.9130 8.7262 8.7262 8.7368 8.7368 9.8757 9.8757 k = 0.0784 0.1358-0.0000 ( 14327 PWs) bands (ev): -40.1705 -40.1705 -40.1529 -40.1529 -40.1367 -40.1367 -40.1191 -40.1191 -5.4004 -5.4004 -5.1500 -5.1500 1.8367 1.8367 1.9020 1.9020 1.9718 1.9718 2.1258 2.1258 2.2327 2.2327 3.0896 3.0896 3.2518 3.2518 3.3541 3.3541 3.4252 3.4252 3.4586 3.4586 3.7074 3.7074 4.6648 4.6648 5.0525 5.0525 5.3626 5.3626 5.9254 5.9254 5.9638 5.9638 7.8738 7.8738 8.6653 8.6653 8.6784 8.6784 9.8189 9.8189 k = 0.0719 0.1245-0.0000 ( 14339 PWs) bands (ev): -40.1707 -40.1707 -40.1528 -40.1528 -40.1368 -40.1368 -40.1190 -40.1190 -5.4181 -5.4181 -5.1657 -5.1657 1.8296 1.8296 1.9189 1.9189 1.9982 1.9982 2.1172 2.1172 2.2235 2.2235 3.0887 3.0887 3.2521 3.2521 3.3650 3.3650 3.4194 3.4194 3.4604 3.4604 3.7080 3.7080 4.6468 4.6468 5.1803 5.1803 5.4738 5.4738 6.0156 6.0156 6.0477 6.0477 7.8314 7.8314 8.6015 8.6015 8.6226 8.6226 9.7635 9.7635 k = 0.0654 0.1132-0.0000 ( 14337 PWs) bands (ev): -40.1708 -40.1708 -40.1527 -40.1527 -40.1369 -40.1369 -40.1188 -40.1188 -5.4344 -5.4344 -5.1802 -5.1802 1.8207 1.8207 1.9363 1.9363 2.0215 2.0215 2.1101 2.1101 2.2154 2.2154 3.0876 3.0876 3.2515 3.2515 3.3757 3.3757 3.4145 3.4145 3.4626 3.4626 3.7084 3.7084 4.6293 4.6293 5.3116 5.3116 5.5867 5.5867 6.1001 6.1001 6.1287 6.1287 7.7844 7.7844 8.5341 8.5341 8.5702 8.5702 9.7104 9.7104 k = 0.0588 0.1019-0.0000 ( 14321 PWs) bands (ev): -40.1709 -40.1709 -40.1526 -40.1526 -40.1370 -40.1370 -40.1187 -40.1187 -5.4493 -5.4493 -5.1935 -5.1935 1.8118 1.8118 1.9524 1.9524 2.0414 2.0414 2.1046 2.1046 2.2086 2.2086 3.0864 3.0864 3.2504 3.2504 3.3857 3.3857 3.4104 3.4104 3.4652 3.4652 3.7088 3.7088 4.6126 4.6126 5.4457 5.4457 5.7006 5.7006 6.1780 6.1780 6.2064 6.2064 7.7313 7.7313 8.4627 8.4627 8.5219 8.5219 9.6605 9.6605 k = 0.0523 0.0906-0.0000 ( 14311 PWs) bands (ev): -40.1710 -40.1710 -40.1525 -40.1525 -40.1371 -40.1371 -40.1187 -40.1187 -5.4627 -5.4627 -5.2055 -5.2055 1.8033 1.8033 1.9665 1.9665 2.0575 2.0575 2.1012 2.1012 2.2033 2.2033 3.0853 3.0853 3.2490 3.2490 3.3945 3.3945 3.4074 3.4074 3.4681 3.4681 3.7091 3.7091 4.5969 4.5969 5.5819 5.5819 5.8147 5.8147 6.2486 6.2486 6.2798 6.2798 7.6704 7.6704 8.3874 8.3874 8.4786 8.4786 9.6151 9.6151 k = 0.0458 0.0792-0.0000 ( 14311 PWs) bands (ev): -40.1711 -40.1711 -40.1524 -40.1524 -40.1372 -40.1372 -40.1186 -40.1186 -5.4746 -5.4746 -5.2162 -5.2162 1.7956 1.7956 1.9784 1.9784 2.0690 2.0690 2.1007 2.1007 2.1997 2.1997 3.0841 3.0841 3.2475 3.2475 3.4002 3.4002 3.4069 3.4069 3.4714 3.4714 3.7093 3.7093 4.5826 4.5826 5.7194 5.7194 5.9279 5.9279 6.3119 6.3119 6.3475 6.3475 7.6004 7.6004 8.3088 8.3088 8.4409 8.4409 9.5753 9.5753 k = 0.0392 0.0679-0.0000 ( 14309 PWs) bands (ev): -40.1712 -40.1712 -40.1523 -40.1523 -40.1373 -40.1373 -40.1185 -40.1185 -5.4849 -5.4849 -5.2255 -5.2255 1.7888 1.7888 1.9877 1.9877 2.0761 2.0761 2.1030 2.1030 2.1977 2.1977 3.0831 3.0831 3.2459 3.2459 3.4002 3.4002 3.4113 3.4113 3.4749 3.4749 3.7095 3.7095 4.5698 4.5698 5.8573 5.8573 6.0386 6.0386 6.3677 6.3677 6.4077 6.4077 7.5210 7.5210 8.2281 8.2281 8.4096 8.4096 9.5423 9.5423 k = 0.0327 0.0566-0.0000 ( 14313 PWs) bands (ev): -40.1712 -40.1712 -40.1523 -40.1523 -40.1373 -40.1373 -40.1185 -40.1185 -5.4937 -5.4937 -5.2335 -5.2335 1.7829 1.7829 1.9945 1.9945 2.0802 2.0802 2.1066 2.1066 2.1972 2.1972 3.0821 3.0821 3.2445 3.2445 3.3989 3.3989 3.4163 3.4163 3.4786 3.4786 3.7096 3.7096 4.5586 4.5586 5.9943 5.9943 6.1449 6.1449 6.4160 6.4160 6.4590 6.4590 7.4326 7.4326 8.1476 8.1476 8.3847 8.3847 9.5171 9.5171 k = 0.0261 0.0453-0.0000 ( 14311 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1374 -40.1374 -40.1184 -40.1184 -5.5010 -5.5010 -5.2400 -5.2400 1.7780 1.7780 1.9992 1.9992 2.0831 2.0831 2.1098 2.1098 2.1980 2.1980 3.0813 3.0813 3.2432 3.2432 3.3977 3.3977 3.4203 3.4203 3.4820 3.4820 3.7097 3.7097 4.5493 4.5493 6.1281 6.1281 6.2443 6.2443 6.4565 6.4565 6.4999 6.4999 7.3370 7.3370 8.0706 8.0706 8.3659 8.3659 9.5004 9.5004 k = 0.0196 0.0340-0.0000 ( 14307 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1374 -40.1374 -40.1184 -40.1184 -5.5066 -5.5066 -5.2451 -5.2451 1.7742 1.7742 2.0022 2.0022 2.0857 2.0857 2.1119 2.1119 2.1993 2.1993 3.0806 3.0806 3.2422 3.2422 3.3967 3.3967 3.4232 3.4232 3.4851 3.4851 3.7097 3.7097 4.5419 4.5419 6.2551 6.2551 6.3335 6.3335 6.4894 6.4894 6.5290 6.5290 7.2378 7.2378 8.0017 8.0017 8.3525 8.3525 9.4925 9.4925 k = 0.0131 0.0226-0.0000 ( 14317 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1375 -40.1375 -40.1184 -40.1184 -5.5107 -5.5107 -5.2488 -5.2488 1.7715 1.7715 2.0039 2.0039 2.0878 2.0878 2.1130 2.1130 2.2008 2.2008 3.0802 3.0802 3.2414 3.2414 3.3961 3.3961 3.4252 3.4252 3.4874 3.4874 3.7098 3.7098 4.5365 4.5365 6.3677 6.3677 6.4081 6.4081 6.5151 6.5151 6.5455 6.5455 7.1422 7.1422 7.9463 7.9463 8.3437 8.3437 9.4927 9.4927 k = 0.0065 0.0113-0.0000 ( 14323 PWs) bands (ev): -40.1714 -40.1714 -40.1522 -40.1522 -40.1375 -40.1375 -40.1183 -40.1183 -5.5131 -5.5131 -5.2510 -5.2510 1.7698 1.7698 2.0048 2.0048 2.0892 2.0892 2.1135 2.1135 2.2019 2.2019 3.0799 3.0799 3.2410 3.2410 3.3957 3.3957 3.4264 3.4264 3.4889 3.4889 3.7098 3.7098 4.5332 4.5332 6.4513 6.4513 6.4603 6.4603 6.5295 6.5295 6.5557 6.5557 7.0649 7.0649 7.9099 7.9099 8.3387 8.3387 9.4977 9.4977 k = 0.0000 0.0000 0.0000 ( 14359 PWs) bands (ev): -40.1714 -40.1714 -40.1522 -40.1522 -40.1375 -40.1375 -40.1183 -40.1183 -5.5139 -5.5139 -5.2517 -5.2517 1.7693 1.7693 2.0051 2.0051 2.0897 2.0897 2.1136 2.1136 2.2023 2.2023 3.0798 3.0798 3.2408 3.2408 3.3955 3.3955 3.4268 3.4268 3.4894 3.4894 3.7098 3.7098 4.5321 4.5321 6.4787 6.4787 6.4875 6.4875 6.5247 6.5247 6.5662 6.5662 7.0328 7.0328 7.8973 7.8973 8.3371 8.3371 9.5009 9.5009 k = 0.0000 0.0000 0.0000 ( 14359 PWs) bands (ev): -40.1714 -40.1714 -40.1522 -40.1522 -40.1375 -40.1375 -40.1183 -40.1183 -5.5139 -5.5139 -5.2517 -5.2517 1.7693 1.7693 2.0051 2.0051 2.0897 2.0897 2.1136 2.1136 2.2023 2.2023 3.0798 3.0798 3.2408 3.2408 3.3955 3.3955 3.4268 3.4268 3.4894 3.4894 3.7098 3.7098 4.5321 4.5321 6.4787 6.4787 6.4875 6.4875 6.5247 6.5247 6.5662 6.5662 7.0328 7.0328 7.8973 7.8973 8.3371 8.3371 9.5009 9.5009 k = 0.0000 0.0000 0.0132 ( 14341 PWs) bands (ev): -40.1713 -40.1713 -40.1522 -40.1522 -40.1374 -40.1374 -40.1184 -40.1184 -5.5135 -5.5135 -5.2521 -5.2521 1.7714 1.7714 2.0053 2.0053 2.0899 2.0899 2.1135 2.1135 2.2021 2.2021 3.0790 3.0790 3.2410 3.2410 3.3957 3.3957 3.4264 3.4264 3.4893 3.4893 3.7098 3.7098 4.5265 4.5265 6.4787 6.4787 6.4875 6.4875 6.5249 6.5249 6.5663 6.5663 7.0364 7.0364 7.8961 7.8961 8.3436 8.3436 9.4996 9.4996 k = 0.0000 0.0000 0.0264 ( 14329 PWs) bands (ev): -40.1713 -40.1713 -40.1524 -40.1524 -40.1372 -40.1372 -40.1184 -40.1184 -5.5124 -5.5124 -5.2535 -5.2535 1.7779 1.7779 2.0057 2.0057 2.0906 2.0906 2.1130 2.1130 2.2015 2.2015 3.0767 3.0767 3.2414 3.2414 3.3961 3.3961 3.4252 3.4252 3.4888 3.4888 3.7100 3.7100 4.5100 4.5100 6.4790 6.4790 6.4876 6.4876 6.5253 6.5253 6.5664 6.5664 7.0468 7.0468 7.8925 7.8925 8.3631 8.3631 9.4955 9.4955 k = 0.0000 0.0000 0.0396 ( 14317 PWs) bands (ev): -40.1712 -40.1712 -40.1528 -40.1528 -40.1369 -40.1369 -40.1185 -40.1185 -5.5106 -5.5106 -5.2556 -5.2556 1.7887 1.7887 2.0066 2.0066 2.0917 2.0917 2.1121 2.1121 2.2005 2.2005 3.0728 3.0728 3.2421 3.2421 3.3968 3.3968 3.4231 3.4231 3.4881 3.4881 3.7103 3.7103 4.4834 4.4834 6.4794 6.4794 6.4878 6.4878 6.5260 6.5260 6.5666 6.5666 7.0634 7.0634 7.8867 7.8867 8.3955 8.3955 9.4891 9.4891 k = 0.0000 0.0000 0.0528 ( 14323 PWs) bands (ev): -40.1711 -40.1711 -40.1532 -40.1532 -40.1365 -40.1365 -40.1186 -40.1186 -5.5080 -5.5080 -5.2587 -5.2587 1.8038 1.8038 2.0077 2.0077 2.0933 2.0933 2.1110 2.1110 2.1992 2.1992 3.0671 3.0671 3.2431 3.2431 3.3977 3.3977 3.4203 3.4203 3.4870 3.4870 3.7107 3.7107 4.4477 4.4477 6.4800 6.4800 6.4881 6.4881 6.5270 6.5270 6.5669 6.5669 7.0851 7.0851 7.8786 7.8786 8.4408 8.4408 9.4804 9.4804 k = 0.0000 0.0000 0.0660 ( 14341 PWs) bands (ev): -40.1709 -40.1709 -40.1537 -40.1537 -40.1359 -40.1359 -40.1188 -40.1188 -5.5047 -5.5047 -5.2626 -5.2626 1.8230 1.8230 2.0092 2.0092 2.0953 2.0953 2.1095 2.1095 2.1975 2.1975 3.0595 3.0595 3.2443 3.2443 3.3989 3.3989 3.4166 3.4166 3.4856 3.4856 3.7113 3.7113 4.4046 4.4046 6.4808 6.4808 6.4885 6.4885 6.5283 6.5283 6.5673 6.5673 7.1107 7.1107 7.8683 7.8683 8.4988 8.4988 9.4700 9.4700 k = 0.0000 0.0000 0.0792 ( 14359 PWs) bands (ev): -40.1707 -40.1707 -40.1543 -40.1543 -40.1354 -40.1354 -40.1190 -40.1190 -5.5007 -5.5007 -5.2672 -5.2672 1.8462 1.8462 2.0109 2.0109 2.0979 2.0979 2.1077 2.1077 2.1955 2.1955 3.0498 3.0498 3.2459 3.2459 3.4004 3.4004 3.4121 3.4121 3.4840 3.4840 3.7120 3.7120 4.3557 4.3557 6.4817 6.4817 6.4891 6.4891 6.5298 6.5298 6.5676 6.5676 7.1389 7.1389 7.8559 7.8559 8.5692 8.5692 9.4582 9.4582 k = 0.0000 0.0000 0.0924 ( 14359 PWs) bands (ev): -40.1704 -40.1704 -40.1549 -40.1549 -40.1347 -40.1347 -40.1193 -40.1193 -5.4960 -5.4960 -5.2727 -5.2727 1.8733 1.8733 2.0130 2.0130 2.1011 2.1011 2.1056 2.1056 2.1931 2.1931 3.0376 3.0376 3.2477 3.2477 3.4021 3.4021 3.4067 3.4067 3.4821 3.4821 3.7130 3.7130 4.3026 4.3026 6.4827 6.4827 6.4897 6.4897 6.5316 6.5316 6.5680 6.5680 7.1688 7.1688 7.8416 7.8416 8.6515 8.6515 9.4456 9.4456 k = 0.0000 0.0000 0.1056 ( 14364 PWs) bands (ev): -40.1702 -40.1702 -40.1556 -40.1556 -40.1341 -40.1341 -40.1195 -40.1195 -5.4907 -5.4907 -5.2788 -5.2788 1.9040 1.9040 2.0153 2.0153 2.1032 2.1032 2.1050 2.1050 2.1904 2.1904 3.0225 3.0225 3.2498 3.2498 3.4004 3.4004 3.4040 3.4040 3.4799 3.4799 3.7143 3.7143 4.2472 4.2472 6.4838 6.4838 6.4905 6.4905 6.5335 6.5335 6.5683 6.5683 7.1994 7.1994 7.8255 7.8255 8.7450 8.7450 9.4326 9.4326 k = 0.0000 0.0000 0.1188 ( 14352 PWs) bands (ev): -40.1699 -40.1699 -40.1563 -40.1563 -40.1333 -40.1333 -40.1199 -40.1199 -5.4848 -5.4848 -5.2857 -5.2857 1.9378 1.9378 2.0180 2.0180 2.1005 2.1005 2.1098 2.1098 2.1873 2.1873 3.0042 3.0042 3.2522 3.2522 3.3933 3.3933 3.4062 3.4062 3.4775 3.4775 3.7158 3.7158 4.1911 4.1911 6.4850 6.4850 6.4913 6.4913 6.5356 6.5356 6.5686 6.5686 7.2302 7.2302 7.8078 7.8078 8.8489 8.8489 9.4196 9.4196 k = 0.0000 0.0000 0.1320 ( 14340 PWs) bands (ev): -40.1695 -40.1695 -40.1570 -40.1570 -40.1326 -40.1326 -40.1202 -40.1202 -5.4782 -5.4782 -5.2931 -5.2931 1.9742 1.9742 2.0208 2.0208 2.0976 2.0976 2.1161 2.1161 2.1840 2.1840 2.9823 2.9823 3.2549 3.2549 3.3855 3.3855 3.4086 3.4086 3.4749 3.4749 3.7178 3.7178 4.1356 4.1356 6.4863 6.4863 6.4922 6.4922 6.5379 6.5379 6.5688 6.5688 7.2608 7.2608 7.7885 7.7885 8.9621 8.9621 9.4070 9.4070 k = 0.0000 0.0000 0.1452 ( 14322 PWs) bands (ev): -40.1691 -40.1691 -40.1578 -40.1578 -40.1319 -40.1319 -40.1206 -40.1206 -5.4711 -5.4711 -5.3011 -5.3011 2.0116 2.0116 2.0239 2.0239 2.0944 2.0944 2.1251 2.1251 2.1804 2.1804 2.9562 2.9562 3.2578 3.2578 3.3771 3.3771 3.4112 3.4112 3.4721 3.4721 3.7203 3.7203 4.0823 4.0823 6.4875 6.4875 6.4930 6.4930 6.5403 6.5403 6.5689 6.5689 7.2910 7.2910 7.7679 7.7679 9.0836 9.0836 9.3954 9.3954 k = 0.0000 0.0000 0.1584 ( 14304 PWs) bands (ev): -40.1687 -40.1687 -40.1585 -40.1585 -40.1311 -40.1311 -40.1210 -40.1210 -5.4635 -5.4635 -5.3096 -5.3096 2.0273 2.0273 2.0471 2.0471 2.0911 2.0911 2.1396 2.1396 2.1765 2.1765 2.9256 2.9256 3.2611 3.2611 3.3681 3.3681 3.4140 3.4140 3.4691 3.4691 3.7233 3.7233 4.0322 4.0322 6.4888 6.4888 6.4938 6.4938 6.5428 6.5428 6.5689 6.5689 7.3206 7.3206 7.7461 7.7461 9.2119 9.2119 9.3851 9.3851 k = 0.0000 0.0000 0.1716 ( 14316 PWs) bands (ev): -40.1683 -40.1683 -40.1593 -40.1593 -40.1304 -40.1304 -40.1214 -40.1214 -5.4553 -5.4553 -5.3186 -5.3186 2.0308 2.0308 2.0754 2.0754 2.0875 2.0875 2.1645 2.1645 2.1724 2.1724 2.8904 2.8904 3.2647 3.2647 3.3589 3.3589 3.4169 3.4169 3.4659 3.4659 3.7270 3.7270 3.9860 3.9860 6.4901 6.4901 6.4946 6.4946 6.5453 6.5453 6.5686 6.5686 7.3498 7.3498 7.7232 7.7232 9.3418 9.3418 9.3808 9.3808 k = 0.0000 0.0000 0.1848 ( 14304 PWs) bands (ev): -40.1678 -40.1678 -40.1600 -40.1600 -40.1296 -40.1296 -40.1219 -40.1219 -5.4467 -5.4467 -5.3280 -5.3280 2.0345 2.0345 2.0838 2.0838 2.0938 2.0938 2.1680 2.1680 2.2023 2.2023 2.8504 2.8504 3.2687 3.2687 3.3496 3.3496 3.4200 3.4200 3.4626 3.4626 3.7315 3.7315 3.9444 3.9444 6.4913 6.4913 6.4953 6.4953 6.5478 6.5478 6.5682 6.5682 7.3786 7.3786 7.6994 7.6994 9.3650 9.3650 9.3916 9.3916 k = 0.0000 0.0000 0.1980 ( 14286 PWs) bands (ev): -40.1673 -40.1673 -40.1608 -40.1608 -40.1289 -40.1289 -40.1224 -40.1224 -5.4377 -5.4377 -5.3376 -5.3376 2.0383 2.0383 2.0799 2.0799 2.1054 2.1054 2.1635 2.1635 2.2495 2.2495 2.8059 2.8059 3.2730 3.2730 3.3405 3.3405 3.4233 3.4233 3.4592 3.4592 3.7370 3.7370 3.9075 3.9075 6.4924 6.4924 6.4958 6.4958 6.5503 6.5503 6.5676 6.5676 7.4069 7.4069 7.6749 7.6749 9.3599 9.3599 9.3861 9.3861 k = 0.0000 0.0000 0.2112 ( 14274 PWs) bands (ev): -40.1667 -40.1667 -40.1615 -40.1615 -40.1281 -40.1281 -40.1229 -40.1229 -5.4284 -5.4284 -5.3476 -5.3476 2.0423 2.0423 2.0759 2.0759 2.1139 2.1139 2.1588 2.1588 2.3020 2.3020 2.7571 2.7571 3.2776 3.2776 3.3316 3.3316 3.4267 3.4267 3.4557 3.4557 3.7437 3.7437 3.8753 3.8753 6.4935 6.4935 6.4963 6.4963 6.5527 6.5527 6.5668 6.5668 7.4349 7.4349 7.6497 7.6497 9.3559 9.3559 9.3826 9.3826 k = 0.0000 0.0000 0.2243 ( 14268 PWs) bands (ev): -40.1661 -40.1661 -40.1622 -40.1622 -40.1274 -40.1274 -40.1235 -40.1235 -5.4187 -5.4187 -5.3577 -5.3577 2.0464 2.0464 2.0718 2.0718 2.1208 2.1208 2.1539 2.1539 2.3578 2.3578 2.7048 2.7048 3.2827 3.2827 3.3231 3.3231 3.4302 3.4302 3.4521 3.4521 3.7518 3.7518 3.8476 3.8476 6.4944 6.4944 6.4965 6.4965 6.5551 6.5551 6.5658 6.5658 7.4626 7.4626 7.6239 7.6239 9.3537 9.3537 9.3799 9.3799 k = 0.0000 0.0000 0.2375 ( 14292 PWs) bands (ev): -40.1656 -40.1656 -40.1629 -40.1629 -40.1267 -40.1267 -40.1241 -40.1241 -5.4088 -5.4088 -5.3679 -5.3679 2.0506 2.0506 2.0676 2.0676 2.1271 2.1271 2.1489 2.1489 2.4156 2.4156 2.6496 2.6496 3.2882 3.2882 3.3150 3.3150 3.4337 3.4337 3.4484 3.4484 3.7615 3.7615 3.8240 3.8240 6.4952 6.4952 6.4966 6.4966 6.5573 6.5573 6.5645 6.5645 7.4901 7.4901 7.5978 7.5978 9.3534 9.3534 9.3711 9.3711 k = 0.0000 0.0000 0.2507 ( 14292 PWs) bands (ev): -40.1649 -40.1649 -40.1636 -40.1636 -40.1260 -40.1260 -40.1247 -40.1247 -5.3987 -5.3987 -5.3782 -5.3782 2.0548 2.0548 2.0633 2.0633 2.1329 2.1329 2.1437 2.1437 2.4744 2.4744 2.5922 2.5922 3.2941 3.2941 3.3075 3.3075 3.4374 3.4374 3.4447 3.4447 3.7732 3.7732 3.8040 3.8040 6.4958 6.4958 6.4965 6.4965 6.5594 6.5594 6.5630 6.5630 7.5174 7.5174 7.5713 7.5713 9.3551 9.3551 9.3640 9.3640 k = 0.0000 0.0000 0.2639 ( 14268 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3885 -5.3885 -5.3885 -5.3885 2.0591 2.0591 2.0591 2.0591 2.1384 2.1384 2.1384 2.1384 2.5336 2.5336 2.5336 2.5336 3.3006 3.3006 3.3006 3.3006 3.4410 3.4410 3.4410 3.4410 3.7873 3.7873 3.7873 3.7873 6.4962 6.4962 6.4962 6.4962 6.5613 6.5613 6.5613 6.5613 7.5444 7.5444 7.5444 7.5444 9.3586 9.3586 9.3586 9.3586 k = 0.0000 0.0000 0.2639 ( 14268 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3885 -5.3885 -5.3885 -5.3885 2.0591 2.0591 2.0591 2.0591 2.1384 2.1384 2.1384 2.1384 2.5336 2.5336 2.5336 2.5336 3.3006 3.3006 3.3006 3.3006 3.4410 3.4410 3.4410 3.4410 3.7873 3.7873 3.7873 3.7873 6.4962 6.4962 6.4962 6.4962 6.5613 6.5613 6.5613 6.5613 7.5444 7.5444 7.5444 7.5444 9.3586 9.3586 9.3586 9.3586 k = 0.0114 0.0066 0.2639 ( 14278 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3877 -5.3877 -5.3877 -5.3877 2.0587 2.0587 2.0587 2.0587 2.1380 2.1380 2.1380 2.1380 2.5338 2.5338 2.5338 2.5338 3.3005 3.3005 3.3005 3.3005 3.4411 3.4411 3.4411 3.4411 3.7879 3.7879 3.7879 3.7879 6.4829 6.4829 6.4829 6.4829 6.5485 6.5485 6.5485 6.5485 7.5620 7.5620 7.5620 7.5620 9.3623 9.3623 9.3623 9.3623 k = 0.0227 0.0131 0.2639 ( 14282 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3854 -5.3854 -5.3854 -5.3854 2.0576 2.0576 2.0576 2.0576 2.1368 2.1368 2.1368 2.1368 2.5344 2.5344 2.5344 2.5344 3.3003 3.3003 3.3003 3.3003 3.4411 3.4411 3.4411 3.4411 3.7898 3.7898 3.7898 3.7898 6.4374 6.4374 6.4374 6.4374 6.5201 6.5201 6.5201 6.5201 7.6105 7.6105 7.6105 7.6105 9.3696 9.3696 9.3696 9.3696 k = 0.0341 0.0197 0.2639 ( 14288 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3815 -5.3815 -5.3815 -5.3815 2.0555 2.0555 2.0555 2.0555 2.1353 2.1353 2.1353 2.1353 2.5353 2.5353 2.5353 2.5353 3.2999 3.2999 3.2999 3.2999 3.4412 3.4412 3.4412 3.4412 3.7930 3.7930 3.7930 3.7930 6.3590 6.3590 6.3590 6.3590 6.4867 6.4867 6.4867 6.4867 7.6799 7.6799 7.6799 7.6799 9.3769 9.3769 9.3769 9.3769 k = 0.0455 0.0262 0.2639 ( 14298 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1254 -40.1254 -40.1254 -40.1254 -5.3761 -5.3761 -5.3761 -5.3761 2.0516 2.0516 2.0516 2.0516 2.1339 2.1339 2.1339 2.1339 2.5367 2.5367 2.5367 2.5367 3.2993 3.2993 3.2993 3.2993 3.4414 3.4414 3.4414 3.4414 3.7973 3.7973 3.7973 3.7973 6.2582 6.2582 6.2582 6.2582 6.4475 6.4475 6.4475 6.4475 7.7605 7.7605 7.7605 7.7605 9.3859 9.3859 9.3859 9.3859 k = 0.0568 0.0328 0.2639 ( 14296 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1254 -40.1254 -40.1254 -40.1254 -5.3691 -5.3691 -5.3691 -5.3691 2.0456 2.0456 2.0456 2.0456 2.1334 2.1334 2.1334 2.1334 2.5383 2.5383 2.5383 2.5383 3.2987 3.2987 3.2987 3.2987 3.4416 3.4416 3.4416 3.4416 3.8030 3.8030 3.8030 3.8030 6.1442 6.1442 6.1442 6.1442 6.4013 6.4013 6.4013 6.4013 7.8443 7.8443 7.8443 7.8443 9.3992 9.3992 9.3992 9.3992 k = 0.0682 0.0394 0.2639 ( 14306 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1255 -40.1255 -40.1255 -40.1255 -5.3606 -5.3606 -5.3606 -5.3606 2.0367 2.0367 2.0367 2.0367 2.1341 2.1341 2.1341 2.1341 2.5403 2.5403 2.5403 2.5403 3.2979 3.2979 3.2979 3.2979 3.4418 3.4418 3.4418 3.4418 3.8097 3.8097 3.8097 3.8097 6.0223 6.0223 6.0223 6.0223 6.3482 6.3482 6.3482 6.3482 7.9256 7.9256 7.9256 7.9256 9.4188 9.4188 9.4188 9.4188 k = 0.0795 0.0459 0.2639 ( 14302 PWs) bands (ev): -40.1641 -40.1641 -40.1641 -40.1641 -40.1255 -40.1255 -40.1255 -40.1255 -5.3507 -5.3507 -5.3507 -5.3507 2.0247 2.0247 2.0247 2.0247 2.1365 2.1365 2.1365 2.1365 2.5425 2.5425 2.5425 2.5425 3.2971 3.2971 3.2971 3.2971 3.4421 3.4421 3.4421 3.4421 3.8177 3.8177 3.8177 3.8177 5.8960 5.8960 5.8960 5.8960 6.2891 6.2891 6.2891 6.2891 8.0001 8.0001 8.0001 8.0001 9.4463 9.4463 9.4463 9.4463 k = 0.0909 0.0525 0.2639 ( 14314 PWs) bands (ev): -40.1641 -40.1641 -40.1641 -40.1641 -40.1255 -40.1255 -40.1255 -40.1255 -5.3392 -5.3392 -5.3392 -5.3392 2.0096 2.0096 2.0096 2.0096 2.1407 2.1407 2.1407 2.1407 2.5450 2.5450 2.5450 2.5450 3.2962 3.2962 3.2962 3.2962 3.4424 3.4424 3.4424 3.4424 3.8267 3.8267 3.8267 3.8267 5.7675 5.7675 5.7675 5.7675 6.2247 6.2247 6.2247 6.2247 8.0649 8.0649 8.0649 8.0649 9.4828 9.4828 9.4828 9.4828 k = 0.1023 0.0590 0.2639 ( 14308 PWs) bands (ev): -40.1640 -40.1640 -40.1640 -40.1640 -40.1256 -40.1256 -40.1256 -40.1256 -5.3264 -5.3264 -5.3264 -5.3264 1.9913 1.9913 1.9913 1.9913 2.1465 2.1465 2.1465 2.1465 2.5477 2.5477 2.5477 2.5477 3.2952 3.2952 3.2952 3.2952 3.4428 3.4428 3.4428 3.4428 3.8368 3.8368 3.8368 3.8368 5.6385 5.6385 5.6385 5.6385 6.1559 6.1559 6.1559 6.1559 8.1182 8.1182 8.1182 8.1182 9.5282 9.5282 9.5282 9.5282 k = 0.1136 0.0656 0.2639 ( 14312 PWs) bands (ev): -40.1640 -40.1640 -40.1640 -40.1640 -40.1256 -40.1256 -40.1256 -40.1256 -5.3121 -5.3121 -5.3121 -5.3121 1.9701 1.9701 1.9701 1.9701 2.1538 2.1538 2.1538 2.1538 2.5506 2.5506 2.5506 2.5506 3.2942 3.2942 3.2942 3.2942 3.4432 3.4432 3.4432 3.4432 3.8478 3.8478 3.8478 3.8478 5.5100 5.5100 5.5100 5.5100 6.0837 6.0837 6.0837 6.0837 8.1593 8.1593 8.1593 8.1593 9.5814 9.5814 9.5814 9.5814 k = 0.1250 0.0722 0.2639 ( 14318 PWs) bands (ev): -40.1639 -40.1639 -40.1639 -40.1639 -40.1257 -40.1257 -40.1257 -40.1257 -5.2965 -5.2965 -5.2965 -5.2965 1.9461 1.9461 1.9461 1.9461 2.1624 2.1624 2.1624 2.1624 2.5535 2.5535 2.5535 2.5535 3.2932 3.2932 3.2932 3.2932 3.4436 3.4436 3.4436 3.4436 3.8596 3.8596 3.8596 3.8596 5.3831 5.3831 5.3831 5.3831 6.0087 6.0087 6.0087 6.0087 8.1886 8.1886 8.1886 8.1886 9.6401 9.6401 9.6401 9.6401 k = 0.1364 0.0787 0.2639 ( 14318 PWs) bands (ev): -40.1639 -40.1639 -40.1639 -40.1639 -40.1257 -40.1257 -40.1257 -40.1257 -5.2796 -5.2796 -5.2796 -5.2796 1.9195 1.9195 1.9195 1.9195 2.1723 2.1723 2.1723 2.1723 2.5566 2.5566 2.5566 2.5566 3.2922 3.2922 3.2922 3.2922 3.4441 3.4441 3.4441 3.4441 3.8722 3.8722 3.8722 3.8722 5.2587 5.2587 5.2587 5.2587 5.9316 5.9316 5.9316 5.9316 8.2071 8.2071 8.2071 8.2071 9.7009 9.7009 9.7009 9.7009 k = 0.1477 0.0853 0.2639 ( 14320 PWs) bands (ev): -40.1638 -40.1638 -40.1638 -40.1638 -40.1258 -40.1258 -40.1258 -40.1258 -5.2614 -5.2614 -5.2614 -5.2614 1.8903 1.8903 1.8903 1.8903 2.1834 2.1834 2.1834 2.1834 2.5597 2.5597 2.5597 2.5597 3.2912 3.2912 3.2912 3.2912 3.4447 3.4447 3.4447 3.4447 3.8852 3.8852 3.8852 3.8852 5.1373 5.1373 5.1373 5.1373 5.8530 5.8530 5.8530 5.8530 8.2163 8.2163 8.2163 8.2163 9.7596 9.7596 9.7596 9.7596 k = 0.1591 0.0919 0.2639 ( 14312 PWs) bands (ev): -40.1637 -40.1637 -40.1637 -40.1637 -40.1258 -40.1258 -40.1258 -40.1258 -5.2421 -5.2421 -5.2421 -5.2421 1.8586 1.8586 1.8586 1.8586 2.1955 2.1955 2.1955 2.1955 2.5628 2.5628 2.5628 2.5628 3.2902 3.2902 3.2902 3.2902 3.4453 3.4453 3.4453 3.4453 3.8984 3.8984 3.8984 3.8984 5.0200 5.0200 5.0200 5.0200 5.7734 5.7734 5.7734 5.7734 8.2176 8.2176 8.2176 8.2176 9.8116 9.8116 9.8116 9.8116 k = 0.1705 0.0984 0.2639 ( 14316 PWs) bands (ev): -40.1636 -40.1636 -40.1636 -40.1636 -40.1259 -40.1259 -40.1259 -40.1259 -5.2215 -5.2215 -5.2215 -5.2215 1.8244 1.8244 1.8244 1.8244 2.2087 2.2087 2.2087 2.2087 2.5658 2.5658 2.5658 2.5658 3.2892 3.2892 3.2892 3.2892 3.4459 3.4459 3.4459 3.4459 3.9114 3.9114 3.9114 3.9114 4.9073 4.9073 4.9073 4.9073 5.6931 5.6931 5.6931 5.6931 8.2126 8.2126 8.2126 8.2126 9.8527 9.8527 9.8527 9.8527 k = 0.1818 0.1050 0.2639 ( 14308 PWs) bands (ev): -40.1636 -40.1636 -40.1636 -40.1636 -40.1259 -40.1259 -40.1259 -40.1259 -5.2000 -5.2000 -5.1999 -5.1999 1.7880 1.7880 1.7880 1.7880 2.2229 2.2229 2.2229 2.2229 2.5688 2.5688 2.5688 2.5688 3.2882 3.2882 3.2882 3.2882 3.4466 3.4466 3.4466 3.4466 3.9235 3.9235 3.9235 3.9235 4.8003 4.8003 4.8003 4.8003 5.6127 5.6127 5.6127 5.6127 8.2025 8.2025 8.2025 8.2025 9.8794 9.8794 9.8794 9.8794 k = 0.1932 0.1115 0.2639 ( 14316 PWs) bands (ev): -40.1635 -40.1635 -40.1635 -40.1635 -40.1260 -40.1260 -40.1260 -40.1260 -5.1774 -5.1774 -5.1774 -5.1774 1.7493 1.7493 1.7493 1.7493 2.2379 2.2379 2.2379 2.2379 2.5718 2.5718 2.5718 2.5718 3.2873 3.2873 3.2873 3.2873 3.4473 3.4473 3.4473 3.4473 3.9340 3.9340 3.9340 3.9340 4.7002 4.7002 4.7002 4.7002 5.5323 5.5323 5.5323 5.5323 8.1883 8.1883 8.1883 8.1883 9.8895 9.8895 9.8895 9.8895 k = 0.2045 0.1181 0.2639 ( 14304 PWs) bands (ev): -40.1634 -40.1634 -40.1634 -40.1634 -40.1261 -40.1261 -40.1261 -40.1261 -5.1539 -5.1539 -5.1539 -5.1539 1.7085 1.7085 1.7085 1.7085 2.2539 2.2539 2.2539 2.2539 2.5746 2.5746 2.5746 2.5746 3.2864 3.2864 3.2864 3.2864 3.4482 3.4482 3.4482 3.4482 3.9414 3.9414 3.9414 3.9414 4.6086 4.6086 4.6086 4.6086 5.4522 5.4522 5.4522 5.4522 8.1708 8.1708 8.1708 8.1708 9.8825 9.8825 9.8825 9.8825 k = 0.2159 0.1247 0.2639 ( 14308 PWs) bands (ev): -40.1633 -40.1633 -40.1633 -40.1633 -40.1261 -40.1261 -40.1261 -40.1261 -5.1295 -5.1295 -5.1295 -5.1295 1.6656 1.6656 1.6656 1.6656 2.2708 2.2708 2.2708 2.2708 2.5773 2.5773 2.5773 2.5773 3.2854 3.2854 3.2854 3.2854 3.4490 3.4490 3.4490 3.4490 3.9439 3.9439 3.9439 3.9439 4.5275 4.5275 4.5275 4.5275 5.3728 5.3728 5.3728 5.3728 8.1507 8.1507 8.1507 8.1507 9.8594 9.8594 9.8594 9.8594 k = 0.2273 0.1312 0.2639 ( 14310 PWs) bands (ev): -40.1632 -40.1632 -40.1632 -40.1632 -40.1262 -40.1262 -40.1262 -40.1262 -5.1045 -5.1045 -5.1045 -5.1045 1.6208 1.6208 1.6208 1.6208 2.2884 2.2884 2.2884 2.2884 2.5798 2.5798 2.5798 2.5798 3.2845 3.2845 3.2845 3.2845 3.4499 3.4499 3.4499 3.4499 3.9389 3.9389 3.9389 3.9389 4.4596 4.4596 4.4596 4.4596 5.2942 5.2942 5.2942 5.2942 8.1284 8.1284 8.1284 8.1284 9.8222 9.8222 9.8222 9.8222 k = 0.2386 0.1378 0.2639 ( 14302 PWs) bands (ev): -40.1631 -40.1631 -40.1631 -40.1631 -40.1263 -40.1263 -40.1263 -40.1263 -5.0787 -5.0787 -5.0787 -5.0787 1.5743 1.5743 1.5743 1.5743 2.3068 2.3068 2.3068 2.3068 2.5822 2.5822 2.5822 2.5822 3.2836 3.2836 3.2836 3.2836 3.4508 3.4508 3.4508 3.4508 3.9237 3.9237 3.9237 3.9237 4.4078 4.4078 4.4078 4.4078 5.2166 5.2166 5.2166 5.2166 8.1043 8.1043 8.1043 8.1043 9.7733 9.7733 9.7733 9.7733 k = 0.2500 0.1443 0.2639 ( 14310 PWs) bands (ev): -40.1630 -40.1630 -40.1630 -40.1630 -40.1263 -40.1263 -40.1263 -40.1263 -5.0525 -5.0525 -5.0525 -5.0525 1.5262 1.5262 1.5262 1.5262 2.3260 2.3260 2.3260 2.3260 2.5843 2.5843 2.5843 2.5843 3.2827 3.2827 3.2827 3.2827 3.4518 3.4518 3.4518 3.4518 3.8968 3.8968 3.8968 3.8968 4.3737 4.3737 4.3737 4.3737 5.1402 5.1402 5.1402 5.1402 8.0786 8.0786 8.0786 8.0786 9.7153 9.7153 9.7153 9.7153 k = 0.2614 0.1509 0.2639 ( 14314 PWs) bands (ev): -40.1629 -40.1629 -40.1629 -40.1629 -40.1264 -40.1264 -40.1264 -40.1264 -5.0259 -5.0259 -5.0259 -5.0259 1.4768 1.4768 1.4768 1.4768 2.3458 2.3458 2.3458 2.3458 2.5864 2.5864 2.5864 2.5864 3.2817 3.2817 3.2817 3.2817 3.4526 3.4526 3.4526 3.4526 3.8589 3.8589 3.8589 3.8589 4.3566 4.3566 4.3566 4.3566 5.0652 5.0652 5.0652 5.0652 8.0515 8.0515 8.0515 8.0515 9.6507 9.6507 9.6507 9.6507 k = 0.2727 0.1575 0.2639 ( 14324 PWs) bands (ev): -40.1628 -40.1628 -40.1628 -40.1628 -40.1265 -40.1265 -40.1265 -40.1265 -4.9989 -4.9989 -4.9989 -4.9989 1.4263 1.4263 1.4263 1.4263 2.3662 2.3662 2.3662 2.3662 2.5882 2.5882 2.5882 2.5882 3.2807 3.2807 3.2807 3.2807 3.4535 3.4535 3.4535 3.4535 3.8130 3.8130 3.8130 3.8130 4.3534 4.3534 4.3534 4.3534 4.9917 4.9917 4.9917 4.9917 8.0231 8.0231 8.0231 8.0231 9.5817 9.5817 9.5817 9.5817 k = 0.2841 0.1640 0.2639 ( 14324 PWs) bands (ev): -40.1628 -40.1628 -40.1628 -40.1628 -40.1266 -40.1266 -40.1266 -40.1266 -4.9718 -4.9718 -4.9718 -4.9718 1.3750 1.3750 1.3750 1.3750 2.3871 2.3871 2.3871 2.3871 2.5899 2.5899 2.5899 2.5899 3.2797 3.2797 3.2797 3.2797 3.4541 3.4541 3.4541 3.4541 3.7625 3.7625 3.7625 3.7625 4.3607 4.3607 4.3607 4.3607 4.9199 4.9199 4.9199 4.9199 7.9934 7.9934 7.9934 7.9934 9.5102 9.5102 9.5102 9.5102 k = 0.2955 0.1706 0.2639 ( 14340 PWs) bands (ev): -40.1627 -40.1627 -40.1627 -40.1627 -40.1266 -40.1266 -40.1266 -40.1266 -4.9447 -4.9447 -4.9447 -4.9447 1.3232 1.3232 1.3232 1.3232 2.4085 2.4085 2.4085 2.4085 2.5914 2.5914 2.5914 2.5914 3.2786 3.2786 3.2786 3.2786 3.4545 3.4545 3.4545 3.4545 3.7106 3.7106 3.7106 3.7106 4.3754 4.3754 4.3754 4.3754 4.8500 4.8500 4.8500 4.8500 7.9626 7.9626 7.9626 7.9626 9.4379 9.4379 9.4379 9.4379 k = 0.3068 0.1771 0.2639 ( 14340 PWs) bands (ev): -40.1626 -40.1626 -40.1626 -40.1626 -40.1267 -40.1267 -40.1267 -40.1267 -4.9177 -4.9177 -4.9177 -4.9177 1.2713 1.2713 1.2713 1.2713 2.4303 2.4303 2.4303 2.4303 2.5928 2.5928 2.5928 2.5928 3.2774 3.2774 3.2774 3.2774 3.4543 3.4543 3.4543 3.4543 3.6596 3.6596 3.6596 3.6596 4.3950 4.3950 4.3950 4.3950 4.7822 4.7822 4.7822 4.7822 7.9306 7.9306 7.9306 7.9306 9.3662 9.3662 9.3662 9.3662 k = 0.3182 0.1837 0.2639 ( 14344 PWs) bands (ev): -40.1625 -40.1625 -40.1625 -40.1625 -40.1268 -40.1268 -40.1268 -40.1268 -4.8910 -4.8910 -4.8910 -4.8910 1.2195 1.2195 1.2195 1.2195 2.4522 2.4522 2.4522 2.4522 2.5941 2.5941 2.5941 2.5941 3.2762 3.2762 3.2762 3.2762 3.4532 3.4532 3.4532 3.4532 3.6112 3.6112 3.6112 3.6112 4.4178 4.4178 4.4178 4.4178 4.7167 4.7167 4.7167 4.7167 7.8975 7.8975 7.8975 7.8975 9.2961 9.2961 9.2961 9.2961 k = 0.3295 0.1903 0.2639 ( 14348 PWs) bands (ev): -40.1624 -40.1624 -40.1624 -40.1624 -40.1268 -40.1268 -40.1268 -40.1268 -4.8647 -4.8647 -4.8647 -4.8647 1.1683 1.1683 1.1683 1.1683 2.4742 2.4742 2.4742 2.4742 2.5954 2.5954 2.5954 2.5954 3.2748 3.2748 3.2748 3.2748 3.4501 3.4501 3.4501 3.4501 3.5674 3.5674 3.5674 3.5674 4.4425 4.4425 4.4425 4.4425 4.6541 4.6541 4.6541 4.6541 7.8633 7.8633 7.8633 7.8633 9.2287 9.2287 9.2287 9.2287 k = 0.3409 0.1968 0.2639 ( 14328 PWs) bands (ev): -40.1623 -40.1623 -40.1623 -40.1623 -40.1269 -40.1269 -40.1269 -40.1269 -4.8390 -4.8390 -4.8390 -4.8390 1.1180 1.1180 1.1180 1.1180 2.4960 2.4960 2.4960 2.4960 2.5968 2.5968 2.5968 2.5968 3.2732 3.2732 3.2732 3.2732 3.4428 3.4428 3.4428 3.4428 3.5308 3.5308 3.5308 3.5308 4.4670 4.4670 4.4670 4.4670 4.5957 4.5957 4.5957 4.5957 7.8283 7.8283 7.8283 7.8283 9.1647 9.1647 9.1647 9.1647 k = 0.3523 0.2034 0.2639 ( 14326 PWs) bands (ev): -40.1622 -40.1622 -40.1622 -40.1622 -40.1270 -40.1270 -40.1270 -40.1270 -4.8140 -4.8140 -4.8140 -4.8140 1.0691 1.0691 1.0691 1.0691 2.5173 2.5173 2.5173 2.5173 2.5985 2.5985 2.5985 2.5985 3.2714 3.2714 3.2714 3.2714 3.4277 3.4277 3.4277 3.4277 3.5054 3.5054 3.5054 3.5054 4.4831 4.4831 4.4831 4.4831 4.5493 4.5493 4.5493 4.5493 7.7926 7.7926 7.7926 7.7926 9.1045 9.1045 9.1045 9.1045 k = 0.3636 0.2099 0.2639 ( 14328 PWs) bands (ev): -40.1622 -40.1622 -40.1622 -40.1622 -40.1270 -40.1270 -40.1270 -40.1270 -4.7900 -4.7900 -4.7900 -4.7900 1.0219 1.0219 1.0219 1.0219 2.5376 2.5376 2.5376 2.5376 2.6009 2.6009 2.6009 2.6009 3.2692 3.2692 3.2692 3.2692 3.4043 3.4043 3.4043 3.4043 3.4922 3.4922 3.4922 3.4922 4.4601 4.4601 4.4601 4.4601 4.5451 4.5451 4.5451 4.5451 7.7565 7.7565 7.7565 7.7565 9.0488 9.0488 9.0488 9.0488 k = 0.3750 0.2165 0.2639 ( 14332 PWs) bands (ev): -40.1621 -40.1621 -40.1621 -40.1621 -40.1271 -40.1271 -40.1271 -40.1271 -4.7671 -4.7671 -4.7671 -4.7671 0.9768 0.9768 0.9768 0.9768 2.5556 2.5556 2.5556 2.5556 2.6050 2.6050 2.6050 2.6050 3.2663 3.2663 3.2663 3.2663 3.3776 3.3776 3.3776 3.3776 3.4862 3.4862 3.4862 3.4862 4.4134 4.4134 4.4134 4.4134 4.5675 4.5675 4.5675 4.5675 7.7204 7.7204 7.7204 7.7204 8.9977 8.9977 8.9977 8.9977 k = 0.3864 0.2231 0.2639 ( 14348 PWs) bands (ev): -40.1620 -40.1620 -40.1620 -40.1620 -40.1271 -40.1271 -40.1271 -40.1271 -4.7455 -4.7455 -4.7455 -4.7455 0.9342 0.9342 0.9342 0.9342 2.5698 2.5698 2.5698 2.5698 2.6123 2.6123 2.6123 2.6123 3.2624 3.2624 3.2624 3.2624 3.3521 3.3521 3.3521 3.3521 3.4836 3.4836 3.4836 3.4836 4.3656 4.3656 4.3656 4.3656 4.5938 4.5938 4.5938 4.5938 7.6846 7.6846 7.6846 7.6846 8.9514 8.9514 8.9514 8.9514 k = 0.3977 0.2296 0.2639 ( 14348 PWs) bands (ev): -40.1620 -40.1620 -40.1620 -40.1620 -40.1272 -40.1272 -40.1272 -40.1272 -4.7253 -4.7253 -4.7253 -4.7253 0.8944 0.8944 0.8944 0.8944 2.5786 2.5786 2.5786 2.5786 2.6240 2.6240 2.6240 2.6240 3.2567 3.2567 3.2567 3.2567 3.3302 3.3302 3.3302 3.3302 3.4823 3.4823 3.4823 3.4823 4.3201 4.3201 4.3201 4.3201 4.6202 4.6202 4.6202 4.6202 7.6497 7.6497 7.6497 7.6497 8.9100 8.9100 8.9100 8.9100 k = 0.4091 0.2362 0.2639 ( 14352 PWs) bands (ev): -40.1619 -40.1619 -40.1619 -40.1619 -40.1272 -40.1272 -40.1272 -40.1272 -4.7067 -4.7067 -4.7067 -4.7067 0.8578 0.8578 0.8578 0.8578 2.5832 2.5832 2.5832 2.5832 2.6388 2.6388 2.6388 2.6388 3.2487 3.2487 3.2487 3.2487 3.3133 3.3133 3.3133 3.3133 3.4818 3.4818 3.4818 3.4818 4.2779 4.2779 4.2779 4.2779 4.6457 4.6457 4.6457 4.6457 7.6162 7.6162 7.6162 7.6162 8.8734 8.8734 8.8734 8.8734 k = 0.4205 0.2427 0.2639 ( 14344 PWs) bands (ev): -40.1619 -40.1619 -40.1619 -40.1619 -40.1273 -40.1273 -40.1273 -40.1273 -4.6899 -4.6899 -4.6899 -4.6899 0.8247 0.8247 0.8247 0.8247 2.5855 2.5855 2.5855 2.5855 2.6544 2.6544 2.6544 2.6544 3.2383 3.2383 3.2383 3.2383 3.3018 3.3018 3.3018 3.3018 3.4816 3.4816 3.4816 3.4816 4.2395 4.2395 4.2395 4.2395 4.6696 4.6696 4.6696 4.6696 7.5847 7.5847 7.5847 7.5847 8.8416 8.8416 8.8416 8.8416 k = 0.4318 0.2493 0.2639 ( 14352 PWs) bands (ev): -40.1618 -40.1618 -40.1618 -40.1618 -40.1273 -40.1273 -40.1273 -40.1273 -4.6750 -4.6750 -4.6750 -4.6750 0.7953 0.7953 0.7953 0.7953 2.5868 2.5868 2.5868 2.5868 2.6694 2.6694 2.6694 2.6694 3.2266 3.2266 3.2266 3.2266 3.2945 3.2945 3.2945 3.2945 3.4815 3.4815 3.4815 3.4815 4.2053 4.2053 4.2053 4.2053 4.6914 4.6914 4.6914 4.6914 7.5559 7.5559 7.5559 7.5559 8.8145 8.8145 8.8145 8.8145 k = 0.4432 0.2559 0.2639 ( 14356 PWs) bands (ev): -40.1618 -40.1618 -40.1618 -40.1618 -40.1273 -40.1273 -40.1273 -40.1273 -4.6621 -4.6621 -4.6621 -4.6621 0.7701 0.7701 0.7701 0.7701 2.5876 2.5876 2.5876 2.5876 2.6830 2.6830 2.6830 2.6830 3.2151 3.2151 3.2151 3.2151 3.2900 3.2900 3.2900 3.2900 3.4815 3.4815 3.4815 3.4815 4.1757 4.1757 4.1757 4.1757 4.7106 4.7106 4.7106 4.7106 7.5303 7.5303 7.5303 7.5303 8.7918 8.7918 8.7918 8.7918 k = 0.4545 0.2624 0.2639 ( 14358 PWs) bands (ev): -40.1618 -40.1618 -40.1618 -40.1618 -40.1273 -40.1273 -40.1273 -40.1273 -4.6514 -4.6514 -4.6514 -4.6514 0.7491 0.7491 0.7491 0.7491 2.5880 2.5880 2.5880 2.5880 2.6947 2.6947 2.6947 2.6947 3.2051 3.2051 3.2051 3.2051 3.2871 3.2871 3.2871 3.2871 3.4815 3.4815 3.4815 3.4815 4.1509 4.1509 4.1509 4.1509 4.7269 4.7269 4.7269 4.7269 7.5085 7.5085 7.5085 7.5085 8.7735 8.7735 8.7735 8.7735 k = 0.4659 0.2690 0.2639 ( 14354 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6430 -4.6430 -4.6430 -4.6430 0.7325 0.7325 0.7325 0.7325 2.5882 2.5882 2.5882 2.5882 2.7042 2.7042 2.7042 2.7042 3.1969 3.1969 3.1969 3.1969 3.2853 3.2853 3.2853 3.2853 3.4815 3.4815 3.4815 3.4815 4.1313 4.1313 4.1313 4.1313 4.7400 4.7400 4.7400 4.7400 7.4910 7.4910 7.4910 7.4910 8.7595 8.7595 8.7595 8.7595 k = 0.4773 0.2756 0.2639 ( 14348 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6369 -4.6369 -4.6369 -4.6369 0.7206 0.7206 0.7206 0.7206 2.5884 2.5884 2.5884 2.5884 2.7112 2.7112 2.7112 2.7112 3.1910 3.1910 3.1910 3.1910 3.2841 3.2841 3.2841 3.2841 3.4816 3.4816 3.4816 3.4816 4.1171 4.1171 4.1171 4.1171 4.7496 4.7496 4.7496 4.7496 7.4781 7.4781 7.4781 7.4781 8.7495 8.7495 8.7495 8.7495 k = 0.4886 0.2821 0.2639 ( 14354 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6333 -4.6333 -4.6333 -4.6333 0.7134 0.7134 0.7134 0.7134 2.5885 2.5885 2.5885 2.5885 2.7155 2.7155 2.7155 2.7155 3.1874 3.1874 3.1874 3.1874 3.2835 3.2835 3.2835 3.2835 3.4816 3.4816 3.4816 3.4816 4.1085 4.1085 4.1085 4.1085 4.7554 4.7554 4.7554 4.7554 7.4703 7.4703 7.4703 7.4703 8.7436 8.7436 8.7436 8.7436 k = 0.5000 0.2887 0.2639 ( 14368 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6320 -4.6320 -4.6320 -4.6320 0.7110 0.7110 0.7110 0.7110 2.5885 2.5885 2.5885 2.5885 2.7169 2.7169 2.7169 2.7169 3.1862 3.1862 3.1862 3.1862 3.2833 3.2833 3.2833 3.2833 3.4816 3.4816 3.4816 3.4816 4.1056 4.1056 4.1056 4.1056 4.7573 4.7573 4.7573 4.7573 7.4677 7.4677 7.4677 7.4677 8.7416 8.7416 8.7416 8.7416 k = 0.5000 0.2887 0.2639 ( 14368 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6320 -4.6320 -4.6320 -4.6320 0.7110 0.7110 0.7110 0.7110 2.5885 2.5885 2.5885 2.5885 2.7169 2.7169 2.7169 2.7169 3.1862 3.1862 3.1862 3.1862 3.2833 3.2833 3.2833 3.2833 3.4816 3.4816 3.4816 3.4816 4.1056 4.1056 4.1056 4.1056 4.7573 4.7573 4.7573 4.7573 7.4677 7.4677 7.4677 7.4677 8.7416 8.7416 8.7416 8.7416 k = 0.4936 0.2998 0.2639 ( 14364 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6318 -4.6318 -4.6315 -4.6315 0.7106 0.7106 0.7130 0.7130 2.5843 2.5843 2.5910 2.5910 2.7162 2.7162 2.7177 2.7177 3.1772 3.1772 3.1935 3.1935 3.2781 3.2781 3.2881 3.2881 3.4795 3.4795 3.4835 3.4835 4.0968 4.0968 4.1063 4.1063 4.7564 4.7564 4.7598 4.7598 7.4712 7.4712 7.4729 7.4729 8.7459 8.7459 8.7471 8.7471 k = 0.4872 0.3109 0.2639 ( 14352 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6310 -4.6310 -4.6303 -4.6303 0.7118 0.7118 0.7165 0.7165 2.5785 2.5785 2.5917 2.5917 2.7155 2.7155 2.7184 2.7184 3.1667 3.1667 3.1994 3.1994 3.2725 3.2725 3.2924 3.2924 3.4773 3.4773 3.4854 3.4854 4.0799 4.0799 4.0990 4.0990 4.7569 4.7569 4.7638 4.7638 7.4832 7.4832 7.4865 7.4865 8.7600 8.7600 8.7625 8.7625 k = 0.4808 0.3220 0.2639 ( 14352 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6294 -4.6294 -4.6285 -4.6285 0.7144 0.7144 0.7215 0.7215 2.5712 2.5712 2.5905 2.5905 2.7146 2.7146 2.7192 2.7192 3.1545 3.1545 3.2038 3.2038 3.2666 3.2666 3.2961 3.2961 3.4751 3.4751 3.4872 3.4872 4.0556 4.0556 4.0845 4.0845 4.7590 4.7590 4.7693 4.7693 7.5027 7.5027 7.5078 7.5078 8.7843 8.7843 8.7880 8.7880 k = 0.4744 0.3331 0.2639 ( 14350 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6271 -4.6271 -4.6259 -4.6259 0.7186 0.7186 0.7281 0.7281 2.5621 2.5621 2.5872 2.5872 2.7137 2.7137 2.7199 2.7199 3.1407 3.1407 3.2068 3.2068 3.2605 3.2605 3.2993 3.2993 3.4729 3.4729 3.4890 3.4890 4.0247 4.0247 4.0635 4.0635 4.7625 4.7625 4.7761 4.7761 7.5285 7.5285 7.5352 7.5352 8.8194 8.8194 8.8242 8.8242 k = 0.4679 0.3442 0.2639 ( 14364 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6243 -4.6243 -4.6228 -4.6228 0.7242 0.7242 0.7363 0.7363 2.5514 2.5514 2.5816 2.5816 2.7125 2.7125 2.7206 2.7206 3.1254 3.1254 3.2084 3.2084 3.2543 3.2543 3.3019 3.3019 3.4706 3.4706 3.4906 3.4906 3.9885 3.9885 4.0373 4.0373 4.7675 4.7675 4.7844 4.7844 7.5586 7.5586 7.5671 7.5671 8.8658 8.8658 8.8716 8.8716 k = 0.4615 0.3553 0.2639 ( 14356 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6208 -4.6208 -4.6190 -4.6190 0.7312 0.7312 0.7458 0.7458 2.5387 2.5387 2.5733 2.5733 2.7112 2.7112 2.7213 2.7213 3.1087 3.1087 3.2086 3.2086 3.2480 3.2480 3.3038 3.3038 3.4683 3.4683 3.4921 3.4921 3.9481 3.9481 4.0071 4.0071 4.7739 4.7739 4.7939 4.7939 7.5914 7.5914 7.6015 7.6015 8.9241 8.9241 8.9307 8.9307 k = 0.4551 0.3664 0.2639 ( 14360 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6167 -4.6167 -4.6146 -4.6146 0.7395 0.7395 0.7569 0.7569 2.5241 2.5241 2.5621 2.5621 2.7097 2.7097 2.7218 2.7218 3.0911 3.0911 3.2076 3.2076 3.2417 3.2417 3.3051 3.3051 3.4660 3.4660 3.4936 3.4936 3.9051 3.9051 3.9743 3.9743 4.7817 4.7817 4.8046 4.8046 7.6250 7.6250 7.6366 7.6366 8.9948 8.9948 9.0020 9.0020 k = 0.4487 0.3775 0.2639 ( 14344 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1274 -40.1274 -40.1274 -40.1274 -4.6121 -4.6121 -4.6097 -4.6097 0.7491 0.7491 0.7692 0.7692 2.5074 2.5074 2.5475 2.5475 2.7079 2.7079 2.7220 2.7220 3.0730 3.0730 3.2053 3.2053 3.2355 3.2355 3.3056 3.3056 3.4639 3.4639 3.4950 3.4950 3.8608 3.8608 3.9400 3.9400 4.7908 4.7908 4.8165 4.8165 7.6578 7.6578 7.6707 7.6707 9.0779 9.0779 9.0854 9.0854 k = 0.4423 0.3886 0.2639 ( 14336 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1274 -40.1274 -40.1274 -40.1274 -4.6070 -4.6070 -4.6044 -4.6044 0.7598 0.7598 0.7829 0.7829 2.4883 2.4883 2.5291 2.5291 2.7058 2.7058 2.7221 2.7221 3.0548 3.0548 3.2019 3.2019 3.2294 3.2294 3.3055 3.3055 3.4619 3.4619 3.4963 3.4963 3.8165 3.8165 3.9053 3.9053 4.8010 4.8010 4.8293 4.8293 7.6885 7.6885 7.7026 7.7026 9.1731 9.1731 9.1806 9.1806 k = 0.4359 0.3997 0.2639 ( 14340 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1275 -40.1275 -40.1275 -40.1275 -4.6015 -4.6015 -4.5986 -4.5986 0.7716 0.7716 0.7977 0.7977 2.4667 2.4667 2.5067 2.5067 2.7036 2.7036 2.7218 2.7218 3.0374 3.0374 3.1974 3.1974 3.2235 3.2235 3.3046 3.3046 3.4600 3.4600 3.4975 3.4975 3.7734 3.7734 3.8711 3.8711 4.8123 4.8123 4.8431 4.8431 7.7161 7.7161 7.7312 7.7312 9.2792 9.2792 9.2863 9.2863 k = 0.4295 0.4108 0.2639 ( 14344 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1275 -40.1275 -40.1275 -40.1275 -4.5956 -4.5956 -4.5924 -4.5924 0.7843 0.7843 0.8137 0.8137 2.4426 2.4426 2.4800 2.4800 2.7011 2.7011 2.7213 2.7213 3.0211 3.0211 3.1922 3.1922 3.2178 3.2178 3.3029 3.3029 3.4584 3.4584 3.4987 3.4987 3.7325 3.7325 3.8383 3.8383 4.8245 4.8245 4.8577 4.8577 7.7402 7.7402 7.7561 7.7561 9.3939 9.3939 9.4005 9.4005 k = 0.4231 0.4219 0.2639 ( 14336 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1275 -40.1275 -40.1275 -40.1275 -4.5894 -4.5894 -4.5860 -4.5860 0.7978 0.7978 0.8305 0.8305 2.4159 2.4159 2.4490 2.4490 2.6985 2.6985 2.7205 2.7205 3.0066 3.0066 3.1863 3.1863 3.2123 3.2123 3.3006 3.3006 3.4571 3.4571 3.4997 3.4997 3.6946 3.6946 3.8071 3.8071 4.8375 4.8375 4.8729 4.8729 7.7604 7.7604 7.7769 7.7769 9.5131 9.5131 9.5187 9.5187 k = 0.4167 0.4330 0.2639 ( 14348 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1275 -40.1275 -40.1275 -40.1275 -4.5830 -4.5830 -4.5793 -4.5793 0.8119 0.8119 0.8482 0.8482 2.3868 2.3868 2.4140 2.4140 2.6959 2.6959 2.7195 2.7195 2.9942 2.9942 3.1801 3.1801 3.2071 3.2071 3.2975 3.2975 3.4560 3.4560 3.5007 3.5007 3.6600 3.6600 3.7780 3.7780 4.8512 4.8512 4.8886 4.8886 7.7767 7.7767 7.7937 7.7937 9.6271 9.6271 9.6317 9.6317 k = 0.4103 0.4441 0.2639 ( 14346 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1275 -40.1275 -40.1275 -40.1275 -4.5764 -4.5764 -4.5726 -4.5726 0.8264 0.8264 0.8664 0.8664 2.3556 2.3556 2.3758 2.3758 2.6931 2.6931 2.7183 2.7183 2.9840 2.9840 3.1739 3.1739 3.2022 3.2022 3.2939 3.2939 3.4553 3.4553 3.5016 3.5016 3.6291 3.6291 3.7512 3.7512 4.8653 4.8653 4.9046 4.9046 7.7892 7.7892 7.8066 7.8066 9.7157 9.7157 9.7192 9.7192 k = 0.4038 0.4552 0.2639 ( 14346 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1275 -40.1275 -40.1275 -40.1275 -4.5698 -4.5698 -4.5657 -4.5657 0.8410 0.8410 0.8850 0.8850 2.3228 2.3228 2.3349 2.3349 2.6904 2.6904 2.7170 2.7170 2.9758 2.9758 3.1681 3.1681 3.1976 3.1976 3.2896 3.2896 3.4548 3.4548 3.5024 3.5024 3.6018 3.6018 3.7266 3.7266 4.8797 4.8797 4.9207 4.9207 7.7982 7.7982 7.8159 7.8159 9.7527 9.7527 9.7557 9.7557 k = 0.3974 0.4663 0.2639 ( 14346 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1276 -40.1276 -40.1276 -40.1276 -4.5632 -4.5632 -4.5590 -4.5590 0.8556 0.8556 0.9037 0.9037 2.2890 2.2890 2.2925 2.2925 2.6878 2.6878 2.7157 2.7157 2.9696 2.9696 3.1629 3.1629 3.1934 3.1934 3.2848 3.2848 3.4546 3.4546 3.5031 3.5031 3.5780 3.5780 3.7044 3.7044 4.8941 4.8941 4.9368 4.9368 7.8039 7.8039 7.8218 7.8218 9.7422 9.7422 9.7450 9.7450 k = 0.3910 0.4774 0.2639 ( 14340 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1276 -40.1276 -40.1276 -40.1276 -4.5568 -4.5568 -4.5523 -4.5523 0.8698 0.8698 0.9222 0.9222 2.2497 2.2497 2.2549 2.2549 2.6853 2.6853 2.7144 2.7144 2.9651 2.9651 3.1586 3.1586 3.1895 3.1895 3.2797 3.2797 3.4547 3.4547 3.5037 3.5037 3.5573 3.5573 3.6844 3.6844 4.9085 4.9085 4.9525 4.9525 7.8066 7.8066 7.8246 7.8246 9.7097 9.7097 9.7127 9.7127 k = 0.3846 0.4885 0.2639 ( 14338 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5506 -4.5506 -4.5459 -4.5459 0.8834 0.8834 0.9401 0.9401 2.2076 2.2076 2.2215 2.2215 2.6829 2.6829 2.7131 2.7131 2.9620 2.9620 3.1553 3.1553 3.1859 3.1859 3.2741 3.2741 3.4550 3.4550 3.5042 3.5042 3.5396 3.5396 3.6667 3.6667 4.9224 4.9224 4.9676 4.9676 7.8068 7.8068 7.8249 7.8249 9.6712 9.6712 9.6744 9.6744 k = 0.3782 0.4996 0.2639 ( 14340 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5447 -4.5447 -4.5399 -4.5399 0.8961 0.8961 0.9571 0.9571 2.1673 2.1673 2.1895 2.1895 2.6808 2.6808 2.7119 2.7119 2.9600 2.9600 3.1531 3.1531 3.1828 3.1828 3.2683 3.2683 3.4555 3.4555 3.5046 3.5046 3.5244 3.5244 3.6510 3.6510 4.9356 4.9356 4.9819 4.9819 7.8048 7.8048 7.8230 7.8230 9.6334 9.6334 9.6369 9.6369 k = 0.3718 0.5107 0.2639 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5392 -4.5392 -4.5343 -4.5343 0.9075 0.9075 0.9727 0.9727 2.1300 2.1300 2.1598 2.1598 2.6789 2.6789 2.7109 2.7109 2.9589 2.9589 3.1520 3.1520 3.1801 3.1801 3.2624 3.2624 3.4561 3.4561 3.5049 3.5049 3.5116 3.5116 3.6375 3.6375 4.9480 4.9480 4.9952 4.9952 7.8012 7.8012 7.8194 7.8194 9.5992 9.5992 9.6029 9.6029 k = 0.3654 0.5218 0.2639 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5343 -4.5343 -4.5293 -4.5293 0.9174 0.9174 0.9866 0.9866 2.0967 2.0967 2.1334 2.1334 2.6773 2.6773 2.7099 2.7099 2.9583 2.9583 3.1519 3.1519 3.1778 3.1778 3.2565 3.2565 3.4569 3.4569 3.5008 3.5008 3.5051 3.5051 3.6260 3.6260 4.9591 4.9591 5.0072 5.0072 7.7965 7.7965 7.8147 7.8147 9.5698 9.5698 9.5737 9.5737 k = 0.3590 0.5329 0.2639 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5301 -4.5301 -4.5249 -4.5249 0.9255 0.9255 0.9983 0.9983 2.0682 2.0682 2.1109 2.1109 2.6760 2.6760 2.7091 2.7091 2.9582 2.9582 3.1527 3.1527 3.1759 3.1759 3.2509 3.2509 3.4578 3.4578 3.4919 3.4919 3.5053 3.5053 3.6165 3.6165 4.9688 4.9688 5.0175 5.0175 7.7913 7.7913 7.8094 7.8094 9.5458 9.5458 9.5499 9.5499 k = 0.3526 0.5440 0.2639 ( 14336 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5266 -4.5266 -4.5214 -4.5214 0.9318 0.9318 1.0075 1.0075 2.0454 2.0454 2.0929 2.0929 2.6750 2.6750 2.7085 2.7085 2.9582 2.9582 3.1539 3.1539 3.1745 3.1745 3.2458 3.2458 3.4588 3.4588 3.4848 3.4848 3.5053 3.5053 3.6091 3.6091 4.9768 4.9768 5.0260 5.0260 7.7861 7.7861 7.8042 7.8042 9.5274 9.5274 9.5316 9.5316 k = 0.3462 0.5551 0.2639 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5240 -4.5240 -4.5187 -4.5187 0.9361 0.9361 1.0140 1.0140 2.0289 2.0289 2.0798 2.0798 2.6743 2.6743 2.7081 2.7081 2.9583 2.9583 3.1554 3.1554 3.1735 3.1735 3.2416 3.2416 3.4598 3.4598 3.4795 3.4795 3.5053 3.5053 3.6037 3.6037 4.9828 4.9828 5.0323 5.0323 7.7816 7.7816 7.7997 7.7997 9.5145 9.5145 9.5188 9.5188 k = 0.3397 0.5662 0.2639 ( 14338 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5223 -4.5223 -4.5170 -4.5170 0.9385 0.9385 1.0178 1.0178 2.0189 2.0189 2.0720 2.0720 2.6739 2.6739 2.7078 2.7078 2.9584 2.9584 3.1566 3.1566 3.1729 3.1729 3.2388 3.2388 3.4607 3.4607 3.4760 3.4760 3.5053 3.5053 3.6005 3.6005 4.9865 4.9865 5.0363 5.0363 7.7785 7.7785 7.7965 7.7965 9.5070 9.5070 9.5113 9.5113 k = 0.3333 0.5774 0.2639 ( 14334 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5218 -4.5218 -4.5164 -4.5164 0.9392 0.9392 1.0190 1.0190 2.0156 2.0156 2.0694 2.0694 2.6737 2.6737 2.7077 2.7077 2.9585 2.9585 3.1570 3.1570 3.1727 3.1727 3.2378 3.2378 3.4610 3.4610 3.4748 3.4748 3.5053 3.5053 3.5994 3.5994 4.9878 4.9878 5.0376 5.0376 7.7774 7.7774 7.7953 7.7953 9.5045 9.5045 9.5089 9.5089 k = 0.3333 0.5774 0.2639 ( 14334 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5218 -4.5218 -4.5164 -4.5164 0.9392 0.9392 1.0190 1.0190 2.0156 2.0156 2.0694 2.0694 2.6737 2.6737 2.7077 2.7077 2.9585 2.9585 3.1570 3.1570 3.1727 3.1727 3.2378 3.2378 3.4610 3.4610 3.4748 3.4748 3.5053 3.5053 3.5994 3.5994 4.9878 4.9878 5.0376 5.0376 7.7774 7.7774 7.7953 7.7953 9.5045 9.5045 9.5089 9.5089 k = 0.3268 0.5660 0.2639 ( 14340 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5224 -4.5224 -4.5171 -4.5171 0.9386 0.9386 1.0179 1.0179 2.0189 2.0189 2.0720 2.0720 2.6739 2.6739 2.7078 2.7078 2.9585 2.9585 3.1565 3.1565 3.1729 3.1729 3.2389 3.2389 3.4607 3.4607 3.4761 3.4761 3.5053 3.5053 3.6005 3.6005 4.9864 4.9864 5.0361 5.0361 7.7788 7.7788 7.7967 7.7967 9.5070 9.5070 9.5113 9.5113 k = 0.3203 0.5547 0.2639 ( 14348 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1277 -40.1277 -40.1277 -40.1277 -4.5243 -4.5243 -4.5190 -4.5190 0.9370 0.9370 1.0150 1.0150 2.0285 2.0285 2.0796 2.0796 2.6742 2.6742 2.7081 2.7081 2.9584 2.9584 3.1550 3.1550 3.1735 3.1735 3.2421 3.2421 3.4601 3.4601 3.4796 3.4796 3.5053 3.5053 3.6042 3.6042 4.9821 4.9821 5.0316 5.0316 7.7833 7.7833 7.8014 7.8014 9.5140 9.5140 9.5183 9.5183 k = 0.3137 0.5434 0.2639 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5276 -4.5276 -4.5224 -4.5224 0.9349 0.9349 1.0109 1.0109 2.0437 2.0437 2.0916 2.0916 2.6748 2.6748 2.7084 2.7084 2.9585 2.9585 3.1530 3.1530 3.1744 3.1744 3.2472 3.2472 3.4595 3.4595 3.4853 3.4853 3.5053 3.5053 3.6104 3.6104 4.9748 4.9748 5.0240 5.0240 7.7915 7.7915 7.8096 7.8096 9.5252 9.5252 9.5294 9.5294 k = 0.3072 0.5321 0.2639 ( 14346 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5324 -4.5324 -4.5272 -4.5272 0.9329 0.9329 1.0064 1.0064 2.0638 2.0638 2.1074 2.1074 2.6754 2.6754 2.7089 2.7089 2.9588 2.9588 3.1509 3.1509 3.1757 3.1757 3.2535 3.2535 3.4590 3.4590 3.4933 3.4933 3.5052 3.5052 3.6193 3.6193 4.9644 4.9644 5.0132 5.0132 7.8037 7.8037 7.8220 7.8220 9.5402 9.5402 9.5444 9.5444 k = 0.3007 0.5207 0.2639 ( 14328 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5387 -4.5387 -4.5336 -4.5336 0.9315 0.9315 1.0021 1.0021 2.0877 2.0877 2.1263 2.1263 2.6761 2.6761 2.7093 2.7093 2.9598 2.9598 3.1494 3.1494 3.1773 3.1773 3.2605 3.2605 3.4587 3.4587 3.5038 3.5038 3.5051 3.5051 3.6310 3.6310 4.9510 4.9510 4.9992 4.9992 7.8201 7.8201 7.8386 7.8386 9.5587 9.5587 9.5627 9.5627 k = 0.2941 0.5094 0.2639 ( 14324 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5465 -4.5465 -4.5416 -4.5416 0.9313 0.9313 0.9987 0.9987 2.1147 2.1147 2.1477 2.1477 2.6766 2.6766 2.7096 2.7096 2.9619 2.9619 3.1492 3.1492 3.1793 3.1793 3.2679 3.2679 3.4584 3.4584 3.5048 3.5048 3.5172 3.5172 3.6458 3.6458 4.9346 4.9346 4.9821 4.9821 7.8409 7.8409 7.8597 7.8597 9.5801 9.5801 9.5840 9.5840 k = 0.2876 0.4981 0.2639 ( 14320 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5559 -4.5559 -4.5511 -4.5511 0.9327 0.9327 0.9968 0.9968 2.1438 2.1438 2.1707 2.1707 2.6769 2.6769 2.7096 2.7096 2.9656 2.9656 3.1509 3.1509 3.1815 3.1815 3.2751 3.2751 3.4582 3.4582 3.5044 3.5044 3.5339 3.5339 3.6636 3.6636 4.9154 4.9154 4.9621 4.9621 7.8663 7.8663 7.8853 7.8853 9.6041 9.6041 9.6078 9.6078 k = 0.2810 0.4868 0.2639 ( 14324 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1275 -40.1275 -40.1275 -40.1275 -4.5669 -4.5669 -4.5623 -4.5623 0.9361 0.9361 0.9968 0.9968 2.1740 2.1740 2.1947 2.1947 2.6768 2.6768 2.7092 2.7092 2.9714 2.9714 3.1551 3.1551 3.1839 3.1839 3.2819 3.2819 3.4579 3.4579 3.5038 3.5038 3.5540 3.5540 3.6845 3.6845 4.8934 4.8934 4.9393 4.9393 7.8961 7.8961 7.9155 7.9155 9.6301 9.6301 9.6337 9.6337 k = 0.2745 0.4755 0.2639 ( 14318 PWs) bands (ev): -40.1615 -40.1615 -40.1615 -40.1615 -40.1275 -40.1275 -40.1275 -40.1275 -4.5795 -4.5795 -4.5751 -4.5751 0.9419 0.9419 0.9992 0.9992 2.2043 2.2043 2.2188 2.2188 2.6760 2.6760 2.7081 2.7081 2.9801 2.9801 3.1622 3.1622 3.1867 3.1867 3.2882 3.2882 3.4576 3.4576 3.5031 3.5031 3.5779 3.5779 3.7087 3.7087 4.8690 4.8690 4.9139 4.9140 7.9303 7.9303 7.9501 7.9501 9.6578 9.6578 9.6611 9.6611 k = 0.2680 0.4641 0.2639 ( 14318 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1275 -40.1275 -40.1275 -40.1275 -4.5937 -4.5937 -4.5894 -4.5894 0.9502 0.9502 1.0042 1.0042 2.2340 2.2340 2.2425 2.2425 2.6745 2.6745 2.7061 2.7061 2.9924 2.9924 3.1729 3.1729 3.1897 3.1897 3.2939 3.2939 3.4572 3.4572 3.5023 3.5023 3.6056 3.6056 3.7363 3.7363 4.8424 4.8424 4.8863 4.8863 7.9687 7.9687 7.9889 7.9889 9.6864 9.6864 9.6895 9.6895 k = 0.2614 0.4528 0.2639 ( 14314 PWs) bands (ev): -40.1616 -40.1616 -40.1616 -40.1616 -40.1274 -40.1274 -40.1274 -40.1274 -4.6095 -4.6095 -4.6054 -4.6054 0.9613 0.9613 1.0121 1.0121 2.2622 2.2622 2.2651 2.2651 2.6720 2.6720 2.7032 2.7032 3.0089 3.0089 3.1875 3.1875 3.1929 3.1929 3.2989 3.2989 3.4568 3.4568 3.5013 3.5013 3.6373 3.6373 3.7672 3.7672 4.8138 4.8138 4.8566 4.8566 8.0109 8.0109 8.0317 8.0317 9.7153 9.7153 9.7181 9.7181 k = 0.2549 0.4415 0.2639 ( 14306 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6267 -4.6267 -4.6228 -4.6228 0.9753 0.9753 1.0230 1.0230 2.2862 2.2862 2.2882 2.2882 2.6686 2.6686 2.6991 2.6991 3.0300 3.0300 3.1965 3.1965 3.2061 3.2061 3.3033 3.3033 3.4563 3.4563 3.5002 3.5002 3.6730 3.6730 3.8016 3.8016 4.7836 4.7836 4.8253 4.8253 8.0568 8.0568 8.0780 8.0780 9.7437 9.7437 9.7461 9.7461 k = 0.2484 0.4302 0.2639 ( 14318 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6454 -4.6454 -4.6417 -4.6417 0.9923 0.9923 1.0370 1.0370 2.3053 2.3053 2.3113 2.3113 2.6641 2.6641 2.6940 2.6940 3.0561 3.0561 3.2003 3.2003 3.2288 3.2288 3.3075 3.3075 3.4559 3.4559 3.4990 3.4990 3.7129 3.7129 3.8396 3.8396 4.7520 4.7520 4.7925 4.7925 8.1058 8.1058 8.1275 8.1275 9.7705 9.7705 9.7724 9.7724 k = 0.2418 0.4189 0.2639 ( 14320 PWs) bands (ev): -40.1618 -40.1618 -40.1618 -40.1618 -40.1273 -40.1273 -40.1273 -40.1273 -4.6654 -4.6654 -4.6619 -4.6619 1.0122 1.0122 1.0541 1.0541 2.3221 2.3221 2.3311 2.3311 2.6587 2.6587 2.6879 2.6879 3.0870 3.0870 3.2047 3.2047 3.2550 3.2550 3.3119 3.3119 3.4554 3.4554 3.4978 3.4978 3.7569 3.7569 3.8811 3.8811 4.7194 4.7194 4.7586 4.7586 8.1574 8.1574 8.1797 8.1797 9.7945 9.7945 9.7959 9.7959 k = 0.2353 0.4075 0.2639 ( 14320 PWs) bands (ev): -40.1618 -40.1618 -40.1618 -40.1618 -40.1273 -40.1273 -40.1273 -40.1273 -4.6867 -4.6867 -4.6834 -4.6834 1.0351 1.0351 1.0742 1.0742 2.3365 2.3365 2.3475 2.3475 2.6525 2.6525 2.6811 2.6811 3.1221 3.1221 3.2100 3.2100 3.2821 3.2821 3.3190 3.3190 3.4551 3.4551 3.4966 3.4966 3.8050 3.8050 3.9263 3.9263 4.6861 4.6861 4.7240 4.7240 8.2112 8.2112 8.2341 8.2341 9.8144 9.8144 9.8153 9.8153 k = 0.2288 0.3962 0.2639 ( 14304 PWs) bands (ev): -40.1619 -40.1619 -40.1619 -40.1619 -40.1272 -40.1272 -40.1272 -40.1272 -4.7091 -4.7091 -4.7061 -4.7061 1.0609 1.0609 1.0973 1.0973 2.3482 2.3482 2.3603 2.3603 2.6457 2.6457 2.6737 2.6737 3.1594 3.1594 3.2178 3.2178 3.3009 3.3009 3.3378 3.3378 3.4550 3.4550 3.4954 3.4954 3.8573 3.8573 3.9752 3.9752 4.6525 4.6525 4.6890 4.6890 8.2664 8.2664 8.2900 8.2900 9.8287 9.8287 9.8290 9.8290 k = 0.2222 0.3849 0.2639 ( 14304 PWs) bands (ev): -40.1620 -40.1620 -40.1620 -40.1620 -40.1272 -40.1272 -40.1272 -40.1272 -4.7327 -4.7327 -4.7299 -4.7299 1.0893 1.0893 1.1232 1.1232 2.3573 2.3573 2.3696 2.3696 2.6386 2.6386 2.6661 2.6661 3.1913 3.1913 3.2354 3.2354 3.3077 3.3077 3.3711 3.3711 3.4556 3.4556 3.4944 3.4944 3.9138 3.9138 4.0279 4.0279 4.6188 4.6188 4.6538 4.6538 8.3224 8.3224 8.3467 8.3467 9.8361 9.8361 9.8362 9.8362 k = 0.2157 0.3736 0.2639 ( 14304 PWs) bands (ev): -40.1620 -40.1620 -40.1620 -40.1620 -40.1271 -40.1271 -40.1271 -40.1271 -4.7572 -4.7572 -4.7546 -4.7546 1.1203 1.1203 1.1517 1.1517 2.3636 2.3636 2.3755 2.3755 2.6313 2.6313 2.6584 2.6584 3.2071 3.2071 3.2726 3.2726 3.3105 3.3105 3.4088 3.4088 3.4588 3.4588 3.4939 3.4939 3.9742 3.9742 4.0842 4.0842 4.5856 4.5856 4.6190 4.6190 8.3783 8.3783 8.4034 8.4034 9.8360 9.8360 9.8362 9.8362 k = 0.2092 0.3623 0.2639 ( 14308 PWs) bands (ev): -40.1621 -40.1621 -40.1621 -40.1621 -40.1270 -40.1270 -40.1270 -40.1270 -4.7825 -4.7825 -4.7801 -4.7801 1.1537 1.1537 1.1828 1.1828 2.3673 2.3673 2.3783 2.3783 2.6241 2.6241 2.6508 2.6508 3.2148 3.2148 3.3119 3.3119 3.3205 3.3205 3.4365 3.4365 3.4760 3.4760 3.4943 3.4943 4.0386 4.0386 4.1442 4.1442 4.5532 4.5532 4.5848 4.5848 8.4333 8.4333 8.4592 8.4592 9.8285 9.8285 9.8289 9.8289 k = 0.2026 0.3509 0.2639 ( 14300 PWs) bands (ev): -40.1622 -40.1622 -40.1622 -40.1622 -40.1270 -40.1270 -40.1270 -40.1270 -4.8085 -4.8085 -4.8063 -4.8063 1.1892 1.1892 1.2160 1.2160 2.3684 2.3684 2.3781 2.3781 2.6173 2.6173 2.6436 2.6436 3.2203 3.2203 3.3127 3.3127 3.3711 3.3711 3.4438 3.4438 3.4970 3.4970 3.5165 3.5165 4.1066 4.1066 4.2075 4.2075 4.5223 4.5223 4.5519 4.5519 8.4863 8.4863 8.5131 8.5131 9.8141 9.8141 9.8157 9.8157 k = 0.1961 0.3396 0.2639 ( 14300 PWs) bands (ev): -40.1623 -40.1623 -40.1623 -40.1623 -40.1269 -40.1269 -40.1269 -40.1269 -4.8351 -4.8351 -4.8331 -4.8331 1.2265 1.2265 1.2513 1.2513 2.3670 2.3670 2.3753 2.3753 2.6111 2.6111 2.6367 2.6367 3.2251 3.2251 3.3130 3.3130 3.4177 3.4177 3.4453 3.4453 3.5068 3.5068 3.5653 3.5653 4.1776 4.1776 4.2737 4.2737 4.4936 4.4936 4.5211 4.5211 8.5362 8.5362 8.5638 8.5638 9.7946 9.7946 9.7981 9.7981 k = 0.1895 0.3283 0.2639 ( 14316 PWs) bands (ev): -40.1624 -40.1624 -40.1624 -40.1624 -40.1268 -40.1268 -40.1268 -40.1268 -4.8622 -4.8622 -4.8604 -4.8604 1.2656 1.2656 1.2883 1.2883 2.3632 2.3632 2.3701 2.3701 2.6054 2.6054 2.6303 2.6303 3.2296 3.2296 3.3129 3.3129 3.4455 3.4455 3.4482 3.4482 3.5351 3.5351 3.6171 3.6171 4.2504 4.2504 4.3409 4.3409 4.4688 4.4688 4.4948 4.4948 8.5817 8.5817 8.6103 8.6103 9.7716 9.7716 9.7778 9.7778 k = 0.1830 0.3170 0.2639 ( 14316 PWs) bands (ev): -40.1625 -40.1625 -40.1625 -40.1625 -40.1268 -40.1268 -40.1268 -40.1268 -4.8896 -4.8896 -4.8880 -4.8880 1.3060 1.3060 1.3267 1.3267 2.3573 2.3573 2.3630 2.3630 2.6004 2.6004 2.6244 2.6244 3.2339 3.2339 3.3126 3.3126 3.4454 3.4454 3.4596 3.4596 3.5838 3.5838 3.6704 3.6704 4.3203 4.3203 4.3990 4.3990 4.4532 4.4532 4.4834 4.4834 8.6218 8.6218 8.6511 8.6511 9.7469 9.7469 9.7565 9.7565 k = 0.1765 0.3057 0.2639 ( 14312 PWs) bands (ev): -40.1626 -40.1626 -40.1626 -40.1626 -40.1267 -40.1267 -40.1267 -40.1267 -4.9172 -4.9172 -4.9157 -4.9157 1.3475 1.3475 1.3663 1.3663 2.3496 2.3496 2.3542 2.3542 2.5961 2.5961 2.6189 2.6189 3.2381 3.2381 3.3120 3.3120 3.4451 3.4451 3.4629 3.4629 3.6414 3.6414 3.7242 3.7242 4.3674 4.3674 4.4127 4.4127 4.4674 4.4674 4.5228 4.5228 8.6551 8.6551 8.6852 8.6852 9.7220 9.7220 9.7354 9.7354 k = 0.1699 0.2943 0.2639 ( 14308 PWs) bands (ev): -40.1627 -40.1627 -40.1627 -40.1627 -40.1266 -40.1266 -40.1266 -40.1266 -4.9449 -4.9449 -4.9436 -4.9436 1.3898 1.3898 1.4069 1.4069 2.3403 2.3403 2.3439 2.3439 2.5923 2.5923 2.6138 2.6138 3.2421 3.2421 3.3112 3.3112 3.4448 3.4448 3.4634 3.4634 3.7013 3.7013 3.7770 3.7770 4.3747 4.3747 4.4003 4.4003 4.5297 4.5297 4.5960 4.5960 8.6808 8.6808 8.7114 8.7114 9.6979 9.6979 9.7154 9.7154 k = 0.1634 0.2830 0.2639 ( 14312 PWs) bands (ev): -40.1627 -40.1627 -40.1627 -40.1627 -40.1266 -40.1266 -40.1266 -40.1266 -4.9725 -4.9725 -4.9713 -4.9713 1.4326 1.4326 1.4480 1.4480 2.3297 2.3297 2.3325 2.3325 2.5890 2.5890 2.6091 2.6091 3.2461 3.2461 3.3102 3.3102 3.4445 3.4445 3.4627 3.4627 3.7604 3.7604 3.8271 3.8271 4.3721 4.3721 4.3882 4.3882 4.6117 4.6117 4.6777 4.6777 8.6982 8.6982 8.7289 8.7289 9.6753 9.6753 9.6969 9.6969 k = 0.1569 0.2717 0.2639 ( 14316 PWs) bands (ev): -40.1628 -40.1628 -40.1628 -40.1628 -40.1265 -40.1265 -40.1265 -40.1265 -5.0000 -5.0000 -4.9989 -4.9989 1.4756 1.4756 1.4894 1.4894 2.3180 2.3180 2.3203 2.3203 2.5861 2.5861 2.6046 2.6046 3.2500 3.2500 3.3091 3.3091 3.4442 3.4442 3.4615 3.4615 3.8158 3.8158 3.8718 3.8718 4.3753 4.3753 4.3829 4.3829 4.7002 4.7002 4.7636 4.7636 8.7071 8.7071 8.7375 8.7375 9.6543 9.6543 9.6799 9.6799 k = 0.1503 0.2604 0.2639 ( 14314 PWs) bands (ev): -40.1629 -40.1629 -40.1629 -40.1629 -40.1264 -40.1264 -40.1264 -40.1264 -5.0272 -5.0272 -5.0263 -5.0263 1.5186 1.5186 1.5309 1.5309 2.3056 2.3056 2.3074 2.3074 2.5834 2.5834 2.6003 2.6003 3.2538 3.2538 3.3079 3.3079 3.4440 3.4440 3.4601 3.4601 3.8644 3.8644 3.9084 3.9084 4.3885 4.3885 4.3898 4.3898 4.7923 4.7923 4.8525 4.8525 8.7075 8.7075 8.7372 8.7372 9.6347 9.6347 9.6639 9.6639 k = 0.1438 0.2491 0.2639 ( 14318 PWs) bands (ev): -40.1630 -40.1630 -40.1630 -40.1630 -40.1263 -40.1263 -40.1263 -40.1263 -5.0540 -5.0540 -5.0532 -5.0532 1.5613 1.5613 1.5722 1.5722 2.2926 2.2926 2.2940 2.2940 2.5809 2.5809 2.5961 2.5961 3.2574 3.2574 3.3066 3.3066 3.4438 3.4438 3.4585 3.4585 3.9030 3.9030 3.9344 3.9344 4.4083 4.4083 4.4191 4.4191 4.8869 4.8869 4.9437 4.9437 8.7000 8.7000 8.7285 8.7285 9.6161 9.6161 9.6485 9.6485 k = 0.1373 0.2377 0.2639 ( 14314 PWs) bands (ev): -40.1631 -40.1631 -40.1631 -40.1631 -40.1263 -40.1263 -40.1263 -40.1263 -5.0803 -5.0803 -5.0796 -5.0796 1.6034 1.6034 1.6130 1.6130 2.2793 2.2793 2.2805 2.2805 2.5785 2.5785 2.5920 2.5920 3.2610 3.2610 3.3053 3.3053 3.4436 3.4436 3.4569 3.4569 3.9294 3.9294 3.9494 3.9494 4.4449 4.4449 4.4640 4.4640 4.9833 4.9833 5.0370 5.0370 8.6853 8.6853 8.7122 8.7122 9.5981 9.5981 9.6332 9.6332 k = 0.1307 0.2264 0.2639 ( 14322 PWs) bands (ev): -40.1632 -40.1632 -40.1632 -40.1632 -40.1262 -40.1262 -40.1262 -40.1262 -5.1061 -5.1061 -5.1055 -5.1055 1.6447 1.6447 1.6531 1.6531 2.2659 2.2659 2.2668 2.2668 2.5761 2.5761 2.5881 2.5881 3.2644 3.2644 3.3040 3.3040 3.4435 3.4435 3.4553 3.4553 3.9436 3.9436 3.9547 3.9547 4.4982 4.4982 4.5234 4.5234 5.0812 5.0812 5.1317 5.1317 8.6644 8.6644 8.6894 8.6894 9.5802 9.5802 9.6174 9.6174 k = 0.1242 0.2151 0.2639 ( 14316 PWs) bands (ev): -40.1633 -40.1633 -40.1633 -40.1633 -40.1261 -40.1261 -40.1261 -40.1261 -5.1311 -5.1311 -5.1306 -5.1306 1.6850 1.6850 1.6922 1.6922 2.2524 2.2524 2.2532 2.2532 2.5737 2.5737 2.5841 2.5841 3.2677 3.2677 3.3028 3.3028 3.4434 3.4434 3.4538 3.4538 3.9477 3.9477 3.9526 3.9526 4.5663 4.5663 4.5951 4.5951 5.1800 5.1800 5.2277 5.2277 8.6381 8.6381 8.6608 8.6608 9.5623 9.5623 9.6011 9.6011 k = 0.1176 0.2038 0.2639 ( 14320 PWs) bands (ev): -40.1634 -40.1634 -40.1634 -40.1634 -40.1261 -40.1261 -40.1261 -40.1261 -5.1554 -5.1554 -5.1550 -5.1550 1.7240 1.7240 1.7302 1.7302 2.2392 2.2392 2.2398 2.2398 2.5713 2.5713 2.5802 2.5802 3.2709 3.2709 3.3016 3.3016 3.4433 3.4433 3.4523 3.4523 3.9445 3.9445 3.9455 3.9455 4.6464 4.6464 4.6768 4.6768 5.2794 5.2794 5.3243 5.3243 8.6071 8.6071 8.6275 8.6275 9.5444 9.5444 9.5842 9.5842 k = 0.1111 0.1925 0.2639 ( 14324 PWs) bands (ev): -40.1635 -40.1635 -40.1635 -40.1635 -40.1260 -40.1260 -40.1260 -40.1260 -5.1788 -5.1788 -5.1784 -5.1784 1.7616 1.7616 1.7669 1.7669 2.2261 2.2261 2.2268 2.2268 2.5688 2.5688 2.5764 2.5764 3.2739 3.2739 3.3005 3.3005 3.4432 3.4432 3.4509 3.4509 3.9352 3.9352 3.9366 3.9366 4.7360 4.7360 4.7667 4.7667 5.3790 5.3790 5.4213 5.4213 8.5721 8.5721 8.5900 8.5900 9.5264 9.5264 9.5669 9.5669 k = 0.1046 0.1811 0.2639 ( 14324 PWs) bands (ev): -40.1636 -40.1636 -40.1636 -40.1636 -40.1259 -40.1259 -40.1259 -40.1259 -5.2013 -5.2013 -5.2010 -5.2010 1.7976 1.7976 1.8020 1.8020 2.2135 2.2135 2.2141 2.2141 2.5662 2.5662 2.5726 2.5726 3.2768 3.2768 3.2996 3.2996 3.4431 3.4431 3.4496 3.4496 3.9231 3.9231 3.9257 3.9257 4.8333 4.8333 4.8633 4.8633 5.4783 5.4783 5.5182 5.5182 8.5335 8.5335 8.5488 8.5488 9.5086 9.5086 9.5493 9.5493 k = 0.0980 0.1698 0.2639 ( 14316 PWs) bands (ev): -40.1636 -40.1636 -40.1636 -40.1636 -40.1259 -40.1259 -40.1259 -40.1259 -5.2228 -5.2228 -5.2225 -5.2225 1.8319 1.8319 1.8355 1.8355 2.2014 2.2014 2.2019 2.2019 2.5635 2.5635 2.5688 2.5688 3.2796 3.2796 3.2988 3.2988 3.4430 3.4430 3.4484 3.4484 3.9100 3.9100 3.9132 3.9132 4.9368 4.9368 4.9657 4.9657 5.5769 5.5769 5.6145 5.6145 8.4916 8.4916 8.5043 8.5043 9.4911 9.4911 9.5318 9.5318 k = 0.0915 0.1585 0.2639 ( 14306 PWs) bands (ev): -40.1637 -40.1637 -40.1637 -40.1637 -40.1258 -40.1258 -40.1258 -40.1258 -5.2431 -5.2431 -5.2429 -5.2429 1.8642 1.8642 1.8671 1.8671 2.1899 2.1899 2.1904 2.1904 2.5608 2.5608 2.5651 2.5651 3.2822 3.2822 3.2982 3.2982 3.4429 3.4429 3.4473 3.4473 3.8966 3.8966 3.8999 3.8999 5.0457 5.0457 5.0731 5.0731 5.6742 5.6742 5.7096 5.7096 8.4465 8.4465 8.4566 8.4566 9.4742 9.4742 9.5145 9.5145 k = 0.0850 0.1472 0.2639 ( 14306 PWs) bands (ev): -40.1638 -40.1638 -40.1638 -40.1638 -40.1258 -40.1258 -40.1258 -40.1258 -5.2624 -5.2624 -5.2622 -5.2622 1.8945 1.8945 1.8968 1.8968 2.1791 2.1791 2.1796 2.1796 2.5580 2.5580 2.5614 2.5614 3.2846 3.2846 3.2978 3.2978 3.4428 3.4428 3.4463 3.4463 3.8833 3.8833 3.8865 3.8865 5.1591 5.1591 5.1849 5.1849 5.7698 5.7698 5.8030 5.8030 8.3979 8.3979 8.4055 8.4055 9.4581 9.4581 9.4978 9.4978 k = 0.0784 0.1358 0.2639 ( 14310 PWs) bands (ev): -40.1639 -40.1639 -40.1639 -40.1639 -40.1257 -40.1257 -40.1257 -40.1257 -5.2804 -5.2804 -5.2803 -5.2803 1.9226 1.9226 1.9244 1.9244 2.1692 2.1692 2.1696 2.1696 2.5552 2.5552 2.5579 2.5579 3.2869 3.2869 3.2975 3.2975 3.4427 3.4427 3.4455 3.4455 3.8704 3.8704 3.8732 3.8732 5.2764 5.2764 5.3005 5.3005 5.8630 5.8630 5.8941 5.8941 8.3456 8.3456 8.3509 8.3509 9.4430 9.4430 9.4818 9.4818 k = 0.0719 0.1245 0.2639 ( 14324 PWs) bands (ev): -40.1639 -40.1639 -40.1639 -40.1639 -40.1257 -40.1257 -40.1257 -40.1257 -5.2972 -5.2972 -5.2971 -5.2971 1.9484 1.9484 1.9497 1.9497 2.1601 2.1601 2.1605 2.1605 2.5524 2.5524 2.5545 2.5545 3.2891 3.2891 3.2974 3.2974 3.4425 3.4425 3.4447 3.4447 3.8580 3.8580 3.8604 3.8604 5.3970 5.3970 5.4194 5.4194 5.9532 5.9532 5.9823 5.9823 8.2893 8.2893 8.2924 8.2924 9.4290 9.4290 9.4667 9.4667 k = 0.0654 0.1132 0.2639 ( 14314 PWs) bands (ev): -40.1640 -40.1640 -40.1640 -40.1640 -40.1256 -40.1256 -40.1256 -40.1256 -5.3127 -5.3127 -5.3126 -5.3126 1.9717 1.9717 1.9727 1.9727 2.1522 2.1522 2.1525 2.1525 2.5497 2.5497 2.5513 2.5513 3.2911 3.2911 3.2974 3.2974 3.4424 3.4424 3.4440 3.4440 3.8464 3.8464 3.8484 3.8484 5.5202 5.5202 5.5410 5.5410 6.0398 6.0398 6.0667 6.0667 8.2283 8.2283 8.2296 8.2296 9.4164 9.4164 9.4527 9.4527 k = 0.0588 0.1019 0.2639 ( 14318 PWs) bands (ev): -40.1640 -40.1640 -40.1640 -40.1640 -40.1256 -40.1256 -40.1256 -40.1256 -5.3269 -5.3269 -5.3268 -5.3268 1.9924 1.9924 1.9930 1.9930 2.1454 2.1454 2.1457 2.1457 2.5471 2.5471 2.5482 2.5482 3.2929 3.2929 3.2976 3.2976 3.4422 3.4422 3.4434 3.4434 3.8357 3.8357 3.8372 3.8372 5.6453 5.6453 5.6644 5.6644 6.1220 6.1220 6.1468 6.1468 8.1619 8.1619 8.1621 8.1621 9.4052 9.4052 9.4397 9.4397 k = 0.0523 0.0906 0.2639 ( 14310 PWs) bands (ev): -40.1641 -40.1641 -40.1641 -40.1641 -40.1255 -40.1255 -40.1255 -40.1255 -5.3396 -5.3396 -5.3396 -5.3396 2.0103 2.0103 2.0107 2.0107 2.1400 2.1400 2.1403 2.1403 2.5446 2.5446 2.5453 2.5453 3.2945 3.2945 3.2979 3.2979 3.4420 3.4420 3.4428 3.4428 3.8259 3.8259 3.8270 3.8270 5.7714 5.7714 5.7889 5.7889 6.1990 6.1990 6.2215 6.2215 8.0892 8.0892 8.0905 8.0905 9.3955 9.3955 9.4279 9.4279 k = 0.0458 0.0792 0.2639 ( 14306 PWs) bands (ev): -40.1641 -40.1641 -40.1641 -40.1641 -40.1255 -40.1255 -40.1255 -40.1255 -5.3510 -5.3510 -5.3509 -5.3509 2.0252 2.0252 2.0254 2.0254 2.1361 2.1361 2.1364 2.1364 2.5422 2.5422 2.5427 2.5427 3.2960 3.2960 3.2982 3.2982 3.4419 3.4419 3.4424 3.4424 3.8171 3.8171 3.8179 3.8179 5.8975 5.8975 5.9133 5.9133 6.2701 6.2701 6.2903 6.2903 8.0115 8.0115 8.0134 8.0134 9.3873 9.3873 9.4172 9.4172 k = 0.0392 0.0679 0.2639 ( 14314 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1255 -40.1255 -40.1255 -40.1255 -5.3608 -5.3608 -5.3608 -5.3608 2.0370 2.0370 2.0371 2.0371 2.1339 2.1339 2.1341 2.1341 2.5401 2.5401 2.5404 2.5404 3.2972 3.2972 3.2987 3.2987 3.4417 3.4417 3.4420 3.4420 3.8093 3.8093 3.8098 3.8098 6.0219 6.0219 6.0360 6.0360 6.3345 6.3345 6.3521 6.3521 7.9294 7.9294 7.9315 7.9315 9.3807 9.3807 9.4077 9.4077 k = 0.0327 0.0566 0.2639 ( 14294 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1254 -40.1254 -40.1254 -40.1254 -5.3693 -5.3693 -5.3692 -5.3692 2.0457 2.0457 2.0458 2.0458 2.1333 2.1333 2.1334 2.1334 2.5382 2.5382 2.5384 2.5384 3.2983 3.2983 3.2991 3.2991 3.4415 3.4415 3.4417 3.4417 3.8027 3.8027 3.8030 3.8030 6.1425 6.1425 6.1547 6.1547 6.3916 6.3916 6.4064 6.4064 7.8444 7.8444 7.8463 7.8463 9.3756 9.3756 9.3990 9.3990 k = 0.0261 0.0453 0.2639 ( 14290 PWs) bands (ev): -40.1642 -40.1642 -40.1642 -40.1642 -40.1254 -40.1254 -40.1254 -40.1254 -5.3762 -5.3762 -5.3762 -5.3762 2.0517 2.0517 2.0517 2.0517 2.1339 2.1339 2.1340 2.1340 2.5366 2.5366 2.5367 2.5367 3.2991 3.2991 3.2996 3.2996 3.4414 3.4414 3.4415 3.4415 3.7972 3.7972 3.7974 3.7974 6.2559 6.2559 6.2660 6.2660 6.4408 6.4408 6.4527 6.4527 7.7593 7.7593 7.7608 7.7608 9.3719 9.3719 9.3910 9.3910 k = 0.0196 0.0340 0.2639 ( 14280 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3816 -5.3816 -5.3816 -5.3816 2.0555 2.0555 2.0555 2.0555 2.1353 2.1353 2.1353 2.1353 2.5353 2.5353 2.5353 2.5353 3.2998 3.2998 3.3000 3.3000 3.4412 3.4412 3.4413 3.4413 3.7929 3.7929 3.7929 3.7929 6.3567 6.3567 6.3642 6.3642 6.4824 6.4824 6.4908 6.4908 7.6788 7.6788 7.6797 7.6797 9.3690 9.3690 9.3830 9.3830 k = 0.0131 0.0226 0.2639 ( 14284 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3854 -5.3854 -5.3854 -5.3854 2.0577 2.0577 2.0577 2.0577 2.1368 2.1368 2.1368 2.1368 2.5343 2.5343 2.5344 2.5344 3.3002 3.3002 3.3003 3.3003 3.4411 3.4411 3.4411 3.4411 3.7898 3.7898 3.7898 3.7898 6.4360 6.4360 6.4400 6.4400 6.5181 6.5181 6.5224 6.5224 7.6099 7.6099 7.6102 7.6102 9.3661 9.3661 9.3732 9.3732 k = 0.0065 0.0113 0.2639 ( 14280 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3877 -5.3877 -5.3877 -5.3877 2.0587 2.0587 2.0587 2.0587 2.1380 2.1380 2.1380 2.1380 2.5338 2.5338 2.5338 2.5338 3.3005 3.3005 3.3005 3.3005 3.4411 3.4411 3.4411 3.4411 3.7879 3.7879 3.7879 3.7879 6.4827 6.4827 6.4834 6.4834 6.5482 6.5482 6.5490 6.5490 7.5619 7.5619 7.5619 7.5619 9.3617 9.3617 9.3629 9.3629 k = 0.0000 0.0000 0.2639 ( 14268 PWs) bands (ev): -40.1643 -40.1643 -40.1643 -40.1643 -40.1254 -40.1254 -40.1254 -40.1254 -5.3885 -5.3885 -5.3885 -5.3885 2.0591 2.0591 2.0591 2.0591 2.1384 2.1384 2.1384 2.1384 2.5336 2.5336 2.5336 2.5336 3.3006 3.3006 3.3006 3.3006 3.4410 3.4410 3.4410 3.4410 3.7873 3.7873 3.7873 3.7873 6.4962 6.4962 6.4962 6.4962 6.5613 6.5613 6.5613 6.5613 7.5444 7.5444 7.5444 7.5444 9.3586 9.3586 9.3586 9.3586 k = 0.5000 0.2887 0.2639 ( 14368 PWs) bands (ev): -40.1617 -40.1617 -40.1617 -40.1617 -40.1274 -40.1274 -40.1274 -40.1274 -4.6320 -4.6320 -4.6320 -4.6320 0.7110 0.7110 0.7110 0.7110 2.5885 2.5885 2.5885 2.5885 2.7169 2.7169 2.7169 2.7169 3.1862 3.1862 3.1862 3.1862 3.2833 3.2833 3.2833 3.2833 3.4816 3.4816 3.4816 3.4816 4.1056 4.1056 4.1056 4.1056 4.7573 4.7573 4.7573 4.7573 7.4677 7.4677 7.4677 7.4677 8.7416 8.7416 8.7416 8.7416 k = 0.5000 0.2887 0.2507 ( 14364 PWs) bands (ev): -40.1620 -40.1620 -40.1615 -40.1615 -40.1276 -40.1276 -40.1271 -40.1271 -4.6344 -4.6344 -4.6297 -4.6297 0.6969 0.6969 0.7256 0.7256 2.5682 2.5682 2.6081 2.6081 2.7117 2.7117 2.7222 2.7222 3.1850 3.1850 3.1872 3.1872 3.2814 3.2814 3.2847 3.2847 3.4701 3.4701 3.4946 3.4946 4.0857 4.0857 4.1257 4.1257 4.7481 4.7481 4.7642 4.7642 7.4307 7.4307 7.5078 7.5078 8.7139 8.7139 8.7745 8.7745 k = 0.5000 0.2887 0.2375 ( 14360 PWs) bands (ev): -40.1622 -40.1622 -40.1612 -40.1612 -40.1279 -40.1279 -40.1269 -40.1269 -4.6367 -4.6367 -4.6274 -4.6274 0.6834 0.6834 0.7405 0.7405 2.5475 2.5475 2.6270 2.6270 2.7066 2.7066 2.7275 2.7275 3.1837 3.1837 3.1880 3.1880 3.2791 3.2791 3.2856 3.2856 3.4604 3.4604 3.5091 3.5091 4.0662 4.0662 4.1460 4.1460 4.7362 4.7362 4.7689 4.7689 7.3979 7.3979 7.5498 7.5498 8.6904 8.6904 8.8132 8.8132 k = 0.5000 0.2887 0.2243 ( 14358 PWs) bands (ev): -40.1624 -40.1624 -40.1609 -40.1609 -40.1281 -40.1281 -40.1267 -40.1267 -4.6390 -4.6390 -4.6251 -4.6251 0.6705 0.6705 0.7558 0.7558 2.5265 2.5265 2.6450 2.6450 2.7017 2.7017 2.7328 2.7328 3.1823 3.1823 3.1888 3.1888 3.2765 3.2765 3.2860 3.2860 3.4522 3.4522 3.5250 3.5250 4.0471 4.0471 4.1663 4.1663 4.7216 4.7216 4.7718 4.7718 7.3703 7.3703 7.5927 7.5927 8.6704 8.6704 8.8589 8.8589 k = 0.5000 0.2887 0.2112 ( 14366 PWs) bands (ev): -40.1626 -40.1626 -40.1607 -40.1607 -40.1284 -40.1284 -40.1264 -40.1264 -4.6413 -4.6413 -4.6229 -4.6229 0.6582 0.6582 0.7712 0.7712 2.5054 2.5054 2.6616 2.6616 2.6973 2.6973 2.7382 2.7382 3.1807 3.1807 3.1894 3.1894 3.2736 3.2736 3.2859 3.2859 3.4457 3.4457 3.5423 3.5423 4.0285 4.0285 4.1864 4.1864 4.7040 4.7040 4.7731 4.7731 7.3484 7.3484 7.6352 7.6352 8.6532 8.6532 8.9122 8.9122 k = 0.5000 0.2887 0.1980 ( 14360 PWs) bands (ev): -40.1629 -40.1629 -40.1605 -40.1605 -40.1286 -40.1286 -40.1262 -40.1262 -4.6435 -4.6435 -4.6207 -4.6207 0.6467 0.6467 0.7868 0.7868 2.4843 2.4843 2.6754 2.6754 2.6947 2.6947 2.7435 2.7435 3.1790 3.1790 3.1900 3.1900 3.2705 3.2705 3.2852 3.2852 3.4408 3.4408 3.5607 3.5607 4.0105 4.0105 4.2064 4.2064 4.6834 4.6834 4.7731 4.7731 7.3328 7.3328 7.6761 7.6761 8.6381 8.6381 8.9738 8.9738 k = 0.5000 0.2887 0.1848 ( 14340 PWs) bands (ev): -40.1631 -40.1631 -40.1602 -40.1602 -40.1289 -40.1289 -40.1260 -40.1260 -4.6456 -4.6456 -4.6186 -4.6186 0.6359 0.6359 0.8022 0.8022 2.4635 2.4635 2.6807 2.6807 2.6998 2.6998 2.7488 2.7488 3.1772 3.1772 3.1904 3.1904 3.2673 3.2673 3.2842 3.2842 3.4373 3.4373 3.5803 3.5803 3.9932 3.9932 4.2260 4.2260 4.6600 4.6600 4.7721 4.7721 7.3239 7.3239 7.7147 7.7147 8.6246 8.6246 9.0444 9.0444 k = 0.5000 0.2887 0.1716 ( 14324 PWs) bands (ev): -40.1633 -40.1633 -40.1600 -40.1600 -40.1291 -40.1291 -40.1258 -40.1258 -4.6477 -4.6477 -4.6166 -4.6166 0.6259 0.6259 0.8175 0.8175 2.4430 2.4430 2.6784 2.6784 2.7113 2.7113 2.7543 2.7543 3.1752 3.1752 3.1908 3.1908 3.2641 3.2641 3.2828 3.2828 3.4350 3.4350 3.6009 3.6009 3.9767 3.9767 4.2450 4.2450 4.6338 4.6338 4.7704 4.7704 7.3218 7.3218 7.7502 7.7502 8.6121 8.6121 9.1241 9.1241 k = 0.5000 0.2887 0.1584 ( 14326 PWs) bands (ev): -40.1635 -40.1635 -40.1597 -40.1597 -40.1293 -40.1293 -40.1256 -40.1256 -4.6496 -4.6496 -4.6147 -4.6147 0.6167 0.6167 0.8325 0.8325 2.4231 2.4231 2.6746 2.6746 2.7230 2.7230 2.7600 2.7600 3.1732 3.1732 3.1911 3.1911 3.2608 3.2608 3.2813 3.2813 3.4338 3.4338 3.6224 3.6224 3.9611 3.9611 4.2635 4.2635 4.6052 4.6052 4.7680 4.7680 7.3262 7.3262 7.7823 7.7823 8.6003 8.6003 9.2130 9.2130 k = 0.5000 0.2887 0.1452 ( 14318 PWs) bands (ev): -40.1636 -40.1636 -40.1595 -40.1595 -40.1295 -40.1295 -40.1255 -40.1255 -4.6515 -4.6515 -4.6129 -4.6129 0.6082 0.6082 0.8470 0.8470 2.4040 2.4040 2.6707 2.6707 2.7335 2.7335 2.7660 2.7660 3.1712 3.1712 3.1913 3.1913 3.2576 3.2576 3.2796 3.2796 3.4335 3.4335 3.6446 3.6446 3.9463 3.9463 4.2811 4.2811 4.5744 4.5744 4.7653 4.7653 7.3370 7.3370 7.8106 7.8106 8.5886 8.5886 9.3110 9.3110 k = 0.5000 0.2887 0.1320 ( 14320 PWs) bands (ev): -40.1638 -40.1638 -40.1593 -40.1593 -40.1297 -40.1297 -40.1253 -40.1253 -4.6532 -4.6532 -4.6112 -4.6112 0.6006 0.6006 0.8609 0.8609 2.3859 2.3859 2.6669 2.6669 2.7424 2.7424 2.7724 2.7724 3.1692 3.1692 3.1915 3.1915 3.2545 3.2545 3.2780 3.2780 3.4339 3.4339 3.6675 3.6675 3.9326 3.9326 4.2977 4.2977 4.5420 4.5420 4.7624 4.7624 7.3535 7.3535 7.8353 7.8353 8.5766 8.5766 9.4175 9.4175 k = 0.5000 0.2887 0.1188 ( 14330 PWs) bands (ev): -40.1639 -40.1639 -40.1591 -40.1591 -40.1299 -40.1299 -40.1251 -40.1251 -4.6548 -4.6548 -4.6097 -4.6097 0.5937 0.5937 0.8740 0.8740 2.3689 2.3689 2.6633 2.6633 2.7496 2.7496 2.7793 2.7793 3.1672 3.1672 3.1916 3.1916 3.2515 3.2515 3.2764 3.2764 3.4348 3.4348 3.6909 3.6909 3.9199 3.9199 4.3133 4.3133 4.5085 4.5085 4.7594 4.7594 7.3752 7.3752 7.8565 7.8565 8.5642 8.5642 9.5321 9.5321 k = 0.5000 0.2887 0.1056 ( 14328 PWs) bands (ev): -40.1641 -40.1641 -40.1589 -40.1589 -40.1301 -40.1301 -40.1250 -40.1250 -4.6563 -4.6563 -4.6082 -4.6082 0.5876 0.5876 0.8862 0.8862 2.3531 2.3531 2.6599 2.6599 2.7554 2.7554 2.7863 2.7863 3.1653 3.1653 3.1917 3.1917 3.2487 3.2487 3.2749 3.2749 3.4360 3.4360 3.7145 3.7145 3.9084 3.9084 4.3275 4.3275 4.4746 4.4746 4.7564 4.7564 7.4009 7.4009 7.8745 7.8745 8.5511 8.5511 9.6540 9.6540 k = 0.5000 0.2887 0.0924 ( 14320 PWs) bands (ev): -40.1642 -40.1642 -40.1588 -40.1588 -40.1303 -40.1303 -40.1249 -40.1249 -4.6576 -4.6576 -4.6070 -4.6070 0.5823 0.5823 0.8974 0.8974 2.3388 2.3388 2.6569 2.6569 2.7600 2.7600 2.7930 2.7930 3.1635 3.1635 3.1918 3.1918 3.2462 3.2462 3.2736 3.2736 3.4375 3.4375 3.7380 3.7380 3.8980 3.8980 4.3401 4.3401 4.4410 4.4410 4.7536 4.7536 7.4297 7.4297 7.8894 7.8894 8.5371 8.5371 9.7822 9.7822 k = 0.5000 0.2887 0.0792 ( 14332 PWs) bands (ev): -40.1643 -40.1643 -40.1586 -40.1586 -40.1304 -40.1304 -40.1248 -40.1248 -4.6588 -4.6588 -4.6059 -4.6059 0.5778 0.5778 0.9074 0.9074 2.3261 2.3261 2.6542 2.6542 2.7636 2.7636 2.7992 2.7992 3.1619 3.1619 3.1919 3.1919 3.2439 3.2439 3.2725 3.2725 3.4390 3.4390 3.7611 3.7611 3.8890 3.8890 4.3503 4.3503 4.4092 4.4092 4.7511 4.7511 7.4603 7.4603 7.9018 7.9018 8.5225 8.5225 9.9117 9.9117 k = 0.5000 0.2887 0.0660 ( 14324 PWs) bands (ev): -40.1644 -40.1644 -40.1585 -40.1585 -40.1305 -40.1305 -40.1247 -40.1247 -4.6598 -4.6598 -4.6049 -4.6049 0.5739 0.5739 0.9160 0.9160 2.3152 2.3152 2.6520 2.6520 2.7665 2.7665 2.8047 2.8047 3.1605 3.1605 3.1919 3.1919 3.2418 3.2418 3.2715 3.2715 3.4405 3.4405 3.7832 3.7832 3.8813 3.8813 4.3545 4.3545 4.3836 4.3836 4.7488 4.7488 7.4909 7.4909 7.9117 7.9117 8.5076 8.5076 9.8512 9.8512 k = 0.5000 0.2887 0.0528 ( 14340 PWs) bands (ev): -40.1645 -40.1645 -40.1584 -40.1584 -40.1306 -40.1306 -40.1246 -40.1246 -4.6606 -4.6606 -4.6041 -4.6041 0.5708 0.5708 0.9233 0.9233 2.3060 2.3060 2.6500 2.6500 2.7688 2.7688 2.8094 2.8094 3.1593 3.1593 3.1919 3.1919 3.2401 3.2401 3.2707 3.2707 3.4418 3.4418 3.8035 3.8035 3.8751 3.8751 4.3401 4.3401 4.3779 4.3779 4.7468 4.7468 7.5200 7.5200 7.9195 7.9195 8.4929 8.4929 9.7920 9.7920 k = 0.5000 0.2887 0.0396 ( 14352 PWs) bands (ev): -40.1645 -40.1645 -40.1583 -40.1583 -40.1307 -40.1307 -40.1246 -40.1246 -4.6612 -4.6612 -4.6035 -4.6035 0.5685 0.5685 0.9291 0.9291 2.2988 2.2988 2.6486 2.6486 2.7705 2.7705 2.8131 2.8131 3.1584 3.1584 3.1919 3.1919 3.2388 3.2388 3.2702 3.2702 3.4429 3.4429 3.8208 3.8208 3.8705 3.8705 4.3183 4.3183 4.3819 4.3819 4.7453 4.7453 7.5455 7.5455 7.9253 7.9253 8.4796 8.4796 9.7451 9.7451 k = 0.5000 0.2887 0.0264 ( 14352 PWs) bands (ev): -40.1646 -40.1646 -40.1583 -40.1583 -40.1308 -40.1308 -40.1245 -40.1245 -4.6617 -4.6617 -4.6031 -4.6031 0.5668 0.5668 0.9332 0.9332 2.2936 2.2936 2.6475 2.6475 2.7717 2.7717 2.8157 2.8157 3.1577 3.1577 3.1919 3.1919 3.2378 3.2378 3.2697 3.2697 3.4438 3.4438 3.8340 3.8340 3.8678 3.8678 4.3001 4.3001 4.3858 4.3858 4.7442 4.7442 7.5656 7.5656 7.9294 7.9294 8.4688 8.4688 9.7112 9.7112 k = 0.5000 0.2887 0.0132 ( 14346 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6620 -4.6620 -4.6028 -4.6028 0.5657 0.5657 0.9357 0.9357 2.2905 2.2905 2.6468 2.6468 2.7724 2.7724 2.8173 2.8173 3.1573 3.1573 3.1920 3.1920 3.2372 3.2372 3.2695 3.2695 3.4443 3.4443 3.8418 3.8418 3.8669 3.8669 4.2883 4.2883 4.3884 4.3884 4.7435 4.7435 7.5784 7.5784 7.9318 7.9318 8.4617 8.4617 9.6907 9.6907 k = 0.5000 0.2887-0.0000 ( 14346 PWs) bands (ev): -40.1646 -40.1646 -40.1582 -40.1582 -40.1308 -40.1308 -40.1245 -40.1245 -4.6621 -4.6621 -4.6027 -4.6027 0.5654 0.5654 0.9366 0.9366 2.2894 2.2894 2.6466 2.6466 2.7726 2.7726 2.8179 2.8179 3.1572 3.1572 3.1920 3.1920 3.2370 3.2370 3.2694 3.2694 3.4445 3.4445 3.8442 3.8442 3.8669 3.8669 4.2842 4.2842 4.3893 4.3893 4.7433 4.7433 7.5829 7.5829 7.9326 7.9326 8.4592 8.4592 9.6838 9.6838 k = 0.3333 0.5774-0.0000 ( 14337 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5168 -4.5168 0.6573 0.6573 1.3589 1.3589 2.1357 2.1357 2.2192 2.2192 2.4727 2.4727 2.5377 2.5377 2.9448 2.9448 3.1551 3.1551 3.1665 3.1665 3.2750 3.2750 3.3873 3.3873 3.4817 3.4817 3.5952 3.5952 3.8466 3.8466 4.9484 4.9484 5.0028 5.0028 5.9346 5.9346 10.3374 10.3374 10.3436 10.3436 10.9719 10.9719 k = 0.3333 0.5774 0.0132 ( 14352 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5168 -4.5168 0.6582 0.6582 1.3577 1.3577 2.1346 2.1346 2.2176 2.2176 2.4746 2.4746 2.5391 2.5391 2.9449 2.9449 3.1551 3.1551 3.1665 3.1665 3.2748 3.2748 3.3874 3.3874 3.4816 3.4816 3.5952 3.5952 3.8444 3.8444 4.9486 4.9486 5.0030 5.0030 5.9409 5.9409 10.3280 10.3280 10.3340 10.3340 10.8647 10.8647 k = 0.3333 0.5774 0.0264 ( 14340 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5168 -4.5168 0.6609 0.6609 1.3539 1.3539 2.1316 2.1316 2.2130 2.2130 2.4800 2.4800 2.5429 2.5429 2.9450 2.9450 3.1551 3.1551 3.1668 3.1668 3.2742 3.2742 3.3876 3.3876 3.4815 3.4815 3.5952 3.5952 3.8381 3.8381 4.9493 4.9493 5.0036 5.0036 5.9594 5.9594 10.3010 10.3010 10.3064 10.3064 10.7392 10.7392 k = 0.3333 0.5774 0.0396 ( 14361 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5221 -4.5221 -4.5167 -4.5167 0.6654 0.6654 1.3477 1.3477 2.1268 2.1268 2.2059 2.2059 2.4886 2.4886 2.5492 2.5492 2.9453 2.9453 3.1551 3.1551 3.1672 3.1672 3.2733 3.2733 3.3879 3.3879 3.4813 3.4813 3.5952 3.5952 3.8279 3.8279 4.9504 4.9504 5.0046 5.0046 5.9899 5.9899 10.2593 10.2593 10.2639 10.2639 10.6008 10.6008 k = 0.3333 0.5774 0.0528 ( 14349 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5220 -4.5220 -4.5167 -4.5167 0.6717 0.6717 1.3390 1.3390 2.1205 2.1205 2.1967 2.1967 2.4997 2.4997 2.5575 2.5575 2.9456 2.9456 3.1551 3.1551 3.1677 3.1677 3.2721 3.2721 3.3884 3.3884 3.4810 3.4810 3.5953 3.5953 3.8142 3.8142 4.9519 4.9519 5.0060 5.0060 6.0320 6.0320 10.2067 10.2067 10.2104 10.2104 10.4517 10.4517 k = 0.3333 0.5774 0.0660 ( 14355 PWs) bands (ev): -40.1614 -40.1614 -40.1614 -40.1614 -40.1276 -40.1276 -40.1276 -40.1276 -4.5220 -4.5220 -4.5167 -4.5167 0.6797 0.6797 1.3280 1.3280 2.1129 2.1129 2.1862 2.1862 2.5126 2.5126 2.5676 2.5676 2.9461 2.9461 3.1551 3.1551 3.1683 3.1683 3.2705 3.2705 3.3891 3.3891 3.4806 3.4806 3.5953 3.5953 3.7975 3.7975 4.9538 4.9538 5.0077 5.0077 6.0850 6.0850 10.1468 10.1468 10.1496 10.1496 10.2942 10.2942 k = 0.3333 0.5774 0.0792 ( 14334 PWs) bands (ev): -40.1614 -40.1614 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5220 -4.5220 -4.5167 -4.5167 0.6895 0.6895 1.3148 1.3148 2.1044 2.1044 2.1748 2.1748 2.5268 2.5268 2.5790 2.5790 2.9466 2.9466 3.1552 3.1552 3.1690 3.1690 3.2687 3.2687 3.3900 3.3900 3.4802 3.4802 3.5953 3.5953 3.7783 3.7783 4.9561 4.9561 5.0097 5.0097 6.1484 6.1484 10.0828 10.0828 10.0846 10.0846 10.1306 10.1306 k = 0.3333 0.5774 0.0924 ( 14328 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5220 -4.5220 -4.5167 -4.5167 0.7009 0.7009 1.2995 1.2995 2.0953 2.0953 2.1630 2.1630 2.5419 2.5419 2.5914 2.5914 2.9473 2.9473 3.1552 3.1552 3.1697 3.1697 3.2665 3.2665 3.3914 3.3914 3.4798 3.4798 3.5953 3.5953 3.7574 3.7574 4.9587 4.9587 5.0120 5.0120 6.2213 6.2213 9.9623 9.9623 10.0172 10.0172 10.0183 10.0183 k = 0.3333 0.5774 0.1056 ( 14319 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5220 -4.5220 -4.5166 -4.5166 0.7140 0.7140 1.2822 1.2822 2.0859 2.0859 2.1512 2.1512 2.5572 2.5572 2.6044 2.6044 2.9481 2.9481 3.1553 3.1553 3.1704 3.1704 3.2641 3.2641 3.3931 3.3931 3.4793 3.4793 3.5953 3.5953 3.7352 3.7352 4.9615 4.9615 5.0145 5.0145 6.3031 6.3031 9.7912 9.7912 9.9518 9.9518 9.9521 9.9521 k = 0.3333 0.5774 0.1188 ( 14328 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5219 -4.5219 -4.5166 -4.5166 0.7287 0.7287 1.2631 1.2631 2.0764 2.0764 2.1396 2.1396 2.5726 2.5726 2.6176 2.6176 2.9489 2.9489 3.1554 3.1554 3.1711 3.1711 3.2614 3.2614 3.3953 3.3953 3.4787 3.4787 3.5952 3.5952 3.7122 3.7122 4.9644 4.9644 5.0171 5.0171 6.3931 6.3931 9.6184 9.6184 9.8877 9.8877 9.8882 9.8882 k = 0.3333 0.5774 0.1320 ( 14322 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5219 -4.5219 -4.5166 -4.5166 0.7448 0.7448 1.2424 1.2424 2.0672 2.0672 2.1285 2.1285 2.5877 2.5877 2.6308 2.6308 2.9499 2.9499 3.1555 3.1555 3.1717 3.1717 3.2586 3.2586 3.3982 3.3982 3.4782 3.4782 3.5950 3.5950 3.6890 3.6890 4.9675 4.9675 5.0198 5.0198 6.4908 6.4908 9.4447 9.4447 9.8263 9.8263 9.8275 9.8275 k = 0.3333 0.5774 0.1452 ( 14310 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5219 -4.5219 -4.5166 -4.5166 0.7624 0.7624 1.2203 1.2203 2.0583 2.0583 2.1180 2.1180 2.6022 2.6022 2.6436 2.6436 2.9509 2.9509 3.1557 3.1557 3.1722 3.1722 3.2557 3.2557 3.4017 3.4017 3.4777 3.4777 3.5945 3.5945 3.6660 3.6660 4.9706 4.9706 5.0225 5.0225 6.5955 6.5955 9.2711 9.2711 9.7688 9.7688 9.7705 9.7705 k = 0.3333 0.5774 0.1584 ( 14298 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5219 -4.5219 -4.5165 -4.5165 0.7814 0.7814 1.1969 1.1969 2.0500 2.0500 2.1083 2.1083 2.6159 2.6159 2.6558 2.6558 2.9520 2.9520 3.1558 3.1558 3.1726 3.1726 3.2528 3.2528 3.4060 3.4060 3.4771 3.4771 3.5936 3.5936 3.6439 3.6439 4.9737 4.9737 5.0252 5.0252 6.7068 6.7068 9.0980 9.0980 9.7158 9.7158 9.7181 9.7181 k = 0.3333 0.5774 0.1716 ( 14301 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5218 -4.5218 -4.5165 -4.5165 0.8016 0.8016 1.1725 1.1725 2.0423 2.0423 2.0995 2.0995 2.6285 2.6285 2.6671 2.6671 2.9532 2.9532 3.1560 3.1560 3.1728 3.1728 3.2499 3.2499 3.4112 3.4112 3.4766 3.4766 3.5913 3.5913 3.6238 3.6238 4.9766 4.9766 5.0278 5.0278 6.8242 6.8242 8.9262 8.9262 9.6679 9.6679 9.6707 9.6707 k = 0.3333 0.5774 0.1848 ( 14304 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5218 -4.5218 -4.5165 -4.5165 0.8228 0.8228 1.1474 1.1474 2.0355 2.0355 2.0918 2.0918 2.6399 2.6399 2.6773 2.6773 2.9543 2.9543 3.1562 3.1562 3.1730 3.1730 3.2471 3.2471 3.4172 3.4172 3.4762 3.4762 3.5844 3.5844 3.6092 3.6092 4.9793 4.9793 5.0302 5.0302 6.9473 6.9473 8.7559 8.7559 9.6256 9.6256 9.6287 9.6287 k = 0.3333 0.5774 0.1980 ( 14310 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5218 -4.5218 -4.5165 -4.5165 0.8449 0.8449 1.1218 1.1218 2.0296 2.0296 2.0851 2.0851 2.6499 2.6499 2.6863 2.6863 2.9554 2.9554 3.1564 3.1564 3.1730 3.1730 3.2445 3.2445 3.4242 3.4242 3.4758 3.4758 3.5702 3.5702 3.6029 3.6029 4.9818 4.9818 5.0323 5.0323 7.0756 7.0756 8.5876 8.5876 9.5892 9.5892 9.5927 9.5927 k = 0.3333 0.5774 0.2112 ( 14292 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5218 -4.5218 -4.5165 -4.5165 0.8677 0.8677 1.0961 1.0961 2.0246 2.0246 2.0795 2.0795 2.6583 2.6583 2.6938 2.6938 2.9564 2.9564 3.1566 3.1566 3.1730 3.1730 3.2422 3.2422 3.4321 3.4321 3.4755 3.4755 3.5532 3.5532 3.6008 3.6008 4.9839 4.9839 5.0341 5.0341 7.2090 7.2090 8.4217 8.4217 9.5590 9.5590 9.5628 9.5628 k = 0.3333 0.5774 0.2243 ( 14304 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1276 -40.1276 -40.1276 -40.1276 -4.5218 -4.5218 -4.5165 -4.5165 0.8906 0.8906 1.0708 1.0708 2.0207 2.0207 2.0751 2.0751 2.6650 2.6650 2.6998 2.6998 2.9573 2.9573 3.1568 3.1568 3.1729 3.1729 3.2404 3.2404 3.4407 3.4407 3.4752 3.4752 3.5366 3.5366 3.6000 3.6000 4.9856 4.9856 5.0356 5.0356 7.3470 7.3470 8.2583 8.2583 9.5353 9.5353 9.5394 9.5394 k = 0.3333 0.5774 0.2375 ( 14316 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5218 -4.5218 -4.5164 -4.5164 0.9126 0.9126 1.0471 1.0471 2.0179 2.0179 2.0720 2.0720 2.6698 2.6698 2.7042 2.7042 2.9579 2.9579 3.1569 3.1569 3.1728 3.1728 3.2390 3.2390 3.4496 3.4496 3.4750 3.4750 3.5216 3.5216 3.5996 3.5996 4.9868 4.9868 5.0367 5.0367 7.4893 7.4893 8.0978 8.0978 9.5183 9.5183 9.5225 9.5225 k = 0.3333 0.5774 0.2507 ( 14337 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5218 -4.5218 -4.5164 -4.5164 0.9310 0.9310 1.0275 1.0275 2.0162 2.0162 2.0701 2.0701 2.6728 2.6728 2.7068 2.7068 2.9583 2.9583 3.1570 3.1570 3.1727 3.1727 3.2381 3.2381 3.4574 3.4574 3.4749 3.4749 3.5101 3.5101 3.5994 3.5994 4.9876 4.9876 5.0374 5.0374 7.6357 7.6357 7.9406 7.9406 9.5080 9.5080 9.5123 9.5123 k = 0.3333 0.5774 0.2639 ( 14334 PWs) bands (ev): -40.1613 -40.1613 -40.1613 -40.1613 -40.1277 -40.1277 -40.1277 -40.1277 -4.5218 -4.5218 -4.5164 -4.5164 0.9392 0.9392 1.0190 1.0190 2.0156 2.0156 2.0694 2.0694 2.6737 2.6737 2.7077 2.7077 2.9585 2.9585 3.1570 3.1570 3.1727 3.1727 3.2378 3.2378 3.4610 3.4610 3.4748 3.4748 3.5053 3.5053 3.5994 3.5994 4.9878 4.9878 5.0376 5.0376 7.7774 7.7774 7.7953 7.7953 9.5045 9.5045 9.5089 9.5089 Writing output data file Li2CuAs.save init_run : 0.35s CPU 0.48s WALL ( 1 calls) electrons : 275.69s CPU 278.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 275.69s CPU 278.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.21s WALL ( 311 calls) cegterg : 236.49s CPU 238.17s WALL ( 375 calls) Called by sum_band: Called by *egterg: h_psi : 179.26s CPU 180.54s WALL ( 6260 calls) s_psi : 9.06s CPU 9.10s WALL ( 6260 calls) g_psi : 0.56s CPU 0.67s WALL ( 5574 calls) cdiaghg : 40.85s CPU 41.15s WALL ( 5885 calls) cegterg:over : 13.74s CPU 13.99s WALL ( 5574 calls) cegterg:upda : 13.32s CPU 13.52s WALL ( 5574 calls) cegterg:last : 6.94s CPU 6.97s WALL ( 997 calls) cdiaghg:chol : 2.47s CPU 2.41s WALL ( 5885 calls) cdiaghg:inve : 1.62s CPU 1.57s WALL ( 5885 calls) cdiaghg:para : 2.28s CPU 2.41s WALL ( 11770 calls) Called by h_psi: h_psi:vloc : 159.43s CPU 160.71s WALL ( 6260 calls) h_psi:vnl : 19.05s CPU 19.14s WALL ( 6260 calls) add_vuspsi : 9.50s CPU 9.38s WALL ( 6260 calls) General routines calbec : 9.51s CPU 9.74s WALL ( 6260 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 150.95s CPU 152.39s WALL ( 709260 calls) davcio : 0.39s CPU 0.69s WALL ( 622 calls) Parallel routines fft_scatter : 43.52s CPU 43.41s WALL ( 709275 calls) PWSCF : 5m10.63s CPU 5m27.24s WALL This run was terminated on: 20:43:12 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=