Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:57:23 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: ./HfSiSe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 27 19 6 1500 917 152 Max 29 20 7 1512 932 158 Sum 997 717 221 54125 33209 5547 bravais-lattice index = 14 lattice parameter (alat) = 6.8597 a.u. unit-cell volume = 739.8320 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.859705 celldm(2)= 1.000000 celldm(3)= 2.292011 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.292011 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.436298 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Hf 12.00 178.49000 Hf( 1.00) Se 6.00 78.96000 Se( 1.00) Si 4.00 28.08550 Si( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 366 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0027322 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0027322 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0027322 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0027322 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0027322 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0027322 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0027322 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0027322 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0027322 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0027322 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0027322 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0027322 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0027322 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0027322 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0027322 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027322 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0027322 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0027322 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0027322 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0027322 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0027322 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0027322 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0027322 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0027322 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0027322 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0027322 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0027322 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027322 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0027322 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0027322 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0027322 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0027322 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0027322 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027322 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0027322 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0027322 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0027322 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0027322 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0027322 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027322 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027322 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0027322 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0027322 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0027322 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0027322 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0027322 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0027322 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0027322 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0027322 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0027322 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0027322 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027322 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0027322 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0027322 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0027322 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0027322 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0027322 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0027322 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027322 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0027322 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0027322 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027322 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0027322 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027322 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0027322 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0027322 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0027322 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0027322 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0027322 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0027322 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0027322 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0027322 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0027322 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0027322 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0027322 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0027322 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0027322 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0027322 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0027322 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0027322 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0027322 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.0114815), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0229631), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0344446), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.0459261), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.0574076), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.0688892), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.0803707), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.0918522), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.1033338), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.1148153), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.1262968), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.1377783), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.1492599), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.1607414), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.1722229), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.1837045), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.1951860), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.2066675), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.2181490), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.2181490), wk = 0.0027322 k( 175) = ( 0.0000000 0.0113636 0.2181490), wk = 0.0027322 k( 176) = ( 0.0000000 0.0227273 0.2181490), wk = 0.0027322 k( 177) = ( 0.0000000 0.0340909 0.2181490), wk = 0.0027322 k( 178) = ( 0.0000000 0.0454546 0.2181490), wk = 0.0027322 k( 179) = ( 0.0000000 0.0568182 0.2181490), wk = 0.0027322 k( 180) = ( 0.0000000 0.0681818 0.2181490), wk = 0.0027322 k( 181) = ( 0.0000000 0.0795455 0.2181490), wk = 0.0027322 k( 182) = ( 0.0000000 0.0909091 0.2181490), wk = 0.0027322 k( 183) = ( 0.0000000 0.1022727 0.2181490), wk = 0.0027322 k( 184) = ( 0.0000000 0.1136364 0.2181490), wk = 0.0027322 k( 185) = ( 0.0000000 0.1250000 0.2181490), wk = 0.0027322 k( 186) = ( 0.0000000 0.1363636 0.2181490), wk = 0.0027322 k( 187) = ( 0.0000000 0.1477273 0.2181490), wk = 0.0027322 k( 188) = ( 0.0000000 0.1590909 0.2181490), wk = 0.0027322 k( 189) = ( 0.0000000 0.1704546 0.2181490), wk = 0.0027322 k( 190) = ( 0.0000000 0.1818182 0.2181490), wk = 0.0027322 k( 191) = ( 0.0000000 0.1931818 0.2181490), wk = 0.0027322 k( 192) = ( 0.0000000 0.2045454 0.2181490), wk = 0.0027322 k( 193) = ( 0.0000000 0.2159091 0.2181490), wk = 0.0027322 k( 194) = ( 0.0000000 0.2272727 0.2181490), wk = 0.0027322 k( 195) = ( 0.0000000 0.2386364 0.2181490), wk = 0.0027322 k( 196) = ( 0.0000000 0.2500000 0.2181490), wk = 0.0027322 k( 197) = ( 0.0000000 0.2613636 0.2181490), wk = 0.0027322 k( 198) = ( 0.0000000 0.2727273 0.2181490), wk = 0.0027322 k( 199) = ( 0.0000000 0.2840909 0.2181490), wk = 0.0027322 k( 200) = ( 0.0000000 0.2954545 0.2181490), wk = 0.0027322 k( 201) = ( 0.0000000 0.3068182 0.2181490), wk = 0.0027322 k( 202) = ( 0.0000000 0.3181818 0.2181490), wk = 0.0027322 k( 203) = ( 0.0000000 0.3295455 0.2181490), wk = 0.0027322 k( 204) = ( 0.0000000 0.3409091 0.2181490), wk = 0.0027322 k( 205) = ( 0.0000000 0.3522727 0.2181490), wk = 0.0027322 k( 206) = ( 0.0000000 0.3636364 0.2181490), wk = 0.0027322 k( 207) = ( 0.0000000 0.3750000 0.2181490), wk = 0.0027322 k( 208) = ( 0.0000000 0.3863636 0.2181490), wk = 0.0027322 k( 209) = ( 0.0000000 0.3977273 0.2181490), wk = 0.0027322 k( 210) = ( 0.0000000 0.4090909 0.2181490), wk = 0.0027322 k( 211) = ( 0.0000000 0.4204545 0.2181490), wk = 0.0027322 k( 212) = ( 0.0000000 0.4318182 0.2181490), wk = 0.0027322 k( 213) = ( 0.0000000 0.4431818 0.2181490), wk = 0.0027322 k( 214) = ( 0.0000000 0.4545455 0.2181490), wk = 0.0027322 k( 215) = ( 0.0000000 0.4659091 0.2181490), wk = 0.0027322 k( 216) = ( 0.0000000 0.4772727 0.2181490), wk = 0.0027322 k( 217) = ( 0.0000000 0.4886364 0.2181490), wk = 0.0027322 k( 218) = ( 0.0000000 0.5000000 0.2181490), wk = 0.0027322 k( 219) = ( 0.0000000 0.5000000 0.2181490), wk = 0.0027322 k( 220) = ( 0.0113636 0.5000000 0.2181490), wk = 0.0027322 k( 221) = ( 0.0227273 0.5000000 0.2181490), wk = 0.0027322 k( 222) = ( 0.0340909 0.5000000 0.2181490), wk = 0.0027322 k( 223) = ( 0.0454546 0.5000000 0.2181490), wk = 0.0027322 k( 224) = ( 0.0568182 0.5000000 0.2181490), wk = 0.0027322 k( 225) = ( 0.0681818 0.5000000 0.2181490), wk = 0.0027322 k( 226) = ( 0.0795455 0.5000000 0.2181490), wk = 0.0027322 k( 227) = ( 0.0909091 0.5000000 0.2181490), wk = 0.0027322 k( 228) = ( 0.1022727 0.5000000 0.2181490), wk = 0.0027322 k( 229) = ( 0.1136364 0.5000000 0.2181490), wk = 0.0027322 k( 230) = ( 0.1250000 0.5000000 0.2181490), wk = 0.0027322 k( 231) = ( 0.1363636 0.5000000 0.2181490), wk = 0.0027322 k( 232) = ( 0.1477273 0.5000000 0.2181490), wk = 0.0027322 k( 233) = ( 0.1590909 0.5000000 0.2181490), wk = 0.0027322 k( 234) = ( 0.1704546 0.5000000 0.2181490), wk = 0.0027322 k( 235) = ( 0.1818182 0.5000000 0.2181490), wk = 0.0027322 k( 236) = ( 0.1931818 0.5000000 0.2181490), wk = 0.0027322 k( 237) = ( 0.2045454 0.5000000 0.2181490), wk = 0.0027322 k( 238) = ( 0.2159091 0.5000000 0.2181490), wk = 0.0027322 k( 239) = ( 0.2272727 0.5000000 0.2181490), wk = 0.0027322 k( 240) = ( 0.2386364 0.5000000 0.2181490), wk = 0.0027322 k( 241) = ( 0.2500000 0.5000000 0.2181490), wk = 0.0027322 k( 242) = ( 0.2613636 0.5000000 0.2181490), wk = 0.0027322 k( 243) = ( 0.2727273 0.5000000 0.2181490), wk = 0.0027322 k( 244) = ( 0.2840909 0.5000000 0.2181490), wk = 0.0027322 k( 245) = ( 0.2954545 0.5000000 0.2181490), wk = 0.0027322 k( 246) = ( 0.3068182 0.5000000 0.2181490), wk = 0.0027322 k( 247) = ( 0.3181818 0.5000000 0.2181490), wk = 0.0027322 k( 248) = ( 0.3295455 0.5000000 0.2181490), wk = 0.0027322 k( 249) = ( 0.3409091 0.5000000 0.2181490), wk = 0.0027322 k( 250) = ( 0.3522727 0.5000000 0.2181490), wk = 0.0027322 k( 251) = ( 0.3636364 0.5000000 0.2181490), wk = 0.0027322 k( 252) = ( 0.3750000 0.5000000 0.2181490), wk = 0.0027322 k( 253) = ( 0.3863636 0.5000000 0.2181490), wk = 0.0027322 k( 254) = ( 0.3977273 0.5000000 0.2181490), wk = 0.0027322 k( 255) = ( 0.4090909 0.5000000 0.2181490), wk = 0.0027322 k( 256) = ( 0.4204545 0.5000000 0.2181490), wk = 0.0027322 k( 257) = ( 0.4318182 0.5000000 0.2181490), wk = 0.0027322 k( 258) = ( 0.4431818 0.5000000 0.2181490), wk = 0.0027322 k( 259) = ( 0.4545455 0.5000000 0.2181490), wk = 0.0027322 k( 260) = ( 0.4659091 0.5000000 0.2181490), wk = 0.0027322 k( 261) = ( 0.4772727 0.5000000 0.2181490), wk = 0.0027322 k( 262) = ( 0.4886364 0.5000000 0.2181490), wk = 0.0027322 k( 263) = ( 0.5000000 0.5000000 0.2181490), wk = 0.0027322 k( 264) = ( 0.5000000 0.5000000 0.2181490), wk = 0.0027322 k( 265) = ( 0.4919355 0.4919355 0.2181490), wk = 0.0027322 k( 266) = ( 0.4838710 0.4838710 0.2181490), wk = 0.0027322 k( 267) = ( 0.4758064 0.4758064 0.2181490), wk = 0.0027322 k( 268) = ( 0.4677419 0.4677419 0.2181490), wk = 0.0027322 k( 269) = ( 0.4596774 0.4596774 0.2181490), wk = 0.0027322 k( 270) = ( 0.4516129 0.4516129 0.2181490), wk = 0.0027322 k( 271) = ( 0.4435484 0.4435484 0.2181490), wk = 0.0027322 k( 272) = ( 0.4354839 0.4354839 0.2181490), wk = 0.0027322 k( 273) = ( 0.4274193 0.4274193 0.2181490), wk = 0.0027322 k( 274) = ( 0.4193548 0.4193548 0.2181490), wk = 0.0027322 k( 275) = ( 0.4112903 0.4112903 0.2181490), wk = 0.0027322 k( 276) = ( 0.4032258 0.4032258 0.2181490), wk = 0.0027322 k( 277) = ( 0.3951613 0.3951613 0.2181490), wk = 0.0027322 k( 278) = ( 0.3870968 0.3870968 0.2181490), wk = 0.0027322 k( 279) = ( 0.3790323 0.3790323 0.2181490), wk = 0.0027322 k( 280) = ( 0.3709677 0.3709677 0.2181490), wk = 0.0027322 k( 281) = ( 0.3629032 0.3629032 0.2181490), wk = 0.0027322 k( 282) = ( 0.3548387 0.3548387 0.2181490), wk = 0.0027322 k( 283) = ( 0.3467742 0.3467742 0.2181490), wk = 0.0027322 k( 284) = ( 0.3387097 0.3387097 0.2181490), wk = 0.0027322 k( 285) = ( 0.3306452 0.3306452 0.2181490), wk = 0.0027322 k( 286) = ( 0.3225807 0.3225806 0.2181490), wk = 0.0027322 k( 287) = ( 0.3145161 0.3145161 0.2181490), wk = 0.0027322 k( 288) = ( 0.3064516 0.3064516 0.2181490), wk = 0.0027322 k( 289) = ( 0.2983871 0.2983871 0.2181490), wk = 0.0027322 k( 290) = ( 0.2903226 0.2903226 0.2181490), wk = 0.0027322 k( 291) = ( 0.2822581 0.2822581 0.2181490), wk = 0.0027322 k( 292) = ( 0.2741936 0.2741936 0.2181490), wk = 0.0027322 k( 293) = ( 0.2661290 0.2661290 0.2181490), wk = 0.0027322 k( 294) = ( 0.2580645 0.2580645 0.2181490), wk = 0.0027322 k( 295) = ( 0.2500000 0.2500000 0.2181490), wk = 0.0027322 k( 296) = ( 0.2419355 0.2419355 0.2181490), wk = 0.0027322 k( 297) = ( 0.2338710 0.2338710 0.2181490), wk = 0.0027322 k( 298) = ( 0.2258064 0.2258064 0.2181490), wk = 0.0027322 k( 299) = ( 0.2177419 0.2177419 0.2181490), wk = 0.0027322 k( 300) = ( 0.2096774 0.2096774 0.2181490), wk = 0.0027322 k( 301) = ( 0.2016129 0.2016129 0.2181490), wk = 0.0027322 k( 302) = ( 0.1935484 0.1935484 0.2181490), wk = 0.0027322 k( 303) = ( 0.1854839 0.1854839 0.2181490), wk = 0.0027322 k( 304) = ( 0.1774194 0.1774193 0.2181490), wk = 0.0027322 k( 305) = ( 0.1693548 0.1693548 0.2181490), wk = 0.0027322 k( 306) = ( 0.1612903 0.1612903 0.2181490), wk = 0.0027322 k( 307) = ( 0.1532258 0.1532258 0.2181490), wk = 0.0027322 k( 308) = ( 0.1451613 0.1451613 0.2181490), wk = 0.0027322 k( 309) = ( 0.1370968 0.1370968 0.2181490), wk = 0.0027322 k( 310) = ( 0.1290323 0.1290323 0.2181490), wk = 0.0027322 k( 311) = ( 0.1209677 0.1209677 0.2181490), wk = 0.0027322 k( 312) = ( 0.1129032 0.1129032 0.2181490), wk = 0.0027322 k( 313) = ( 0.1048387 0.1048387 0.2181490), wk = 0.0027322 k( 314) = ( 0.0967742 0.0967742 0.2181490), wk = 0.0027322 k( 315) = ( 0.0887097 0.0887097 0.2181490), wk = 0.0027322 k( 316) = ( 0.0806452 0.0806452 0.2181490), wk = 0.0027322 k( 317) = ( 0.0725806 0.0725806 0.2181490), wk = 0.0027322 k( 318) = ( 0.0645161 0.0645161 0.2181490), wk = 0.0027322 k( 319) = ( 0.0564516 0.0564516 0.2181490), wk = 0.0027322 k( 320) = ( 0.0483871 0.0483871 0.2181490), wk = 0.0027322 k( 321) = ( 0.0403226 0.0403226 0.2181490), wk = 0.0027322 k( 322) = ( 0.0322581 0.0322581 0.2181490), wk = 0.0027322 k( 323) = ( 0.0241936 0.0241935 0.2181490), wk = 0.0027322 k( 324) = ( 0.0161290 0.0161290 0.2181490), wk = 0.0027322 k( 325) = ( 0.0080645 0.0080645 0.2181490), wk = 0.0027322 k( 326) = ( 0.0000000 0.0000000 0.2181490), wk = 0.0027322 k( 327) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 328) = ( 0.0000000 0.5000000 0.0114815), wk = 0.0027322 k( 329) = ( 0.0000000 0.5000000 0.0229631), wk = 0.0027322 k( 330) = ( 0.0000000 0.5000000 0.0344446), wk = 0.0027322 k( 331) = ( 0.0000000 0.5000000 0.0459261), wk = 0.0027322 k( 332) = ( 0.0000000 0.5000000 0.0574076), wk = 0.0027322 k( 333) = ( 0.0000000 0.5000000 0.0688892), wk = 0.0027322 k( 334) = ( 0.0000000 0.5000000 0.0803707), wk = 0.0027322 k( 335) = ( 0.0000000 0.5000000 0.0918522), wk = 0.0027322 k( 336) = ( 0.0000000 0.5000000 0.1033338), wk = 0.0027322 k( 337) = ( 0.0000000 0.5000000 0.1148153), wk = 0.0027322 k( 338) = ( 0.0000000 0.5000000 0.1262968), wk = 0.0027322 k( 339) = ( 0.0000000 0.5000000 0.1377783), wk = 0.0027322 k( 340) = ( 0.0000000 0.5000000 0.1492599), wk = 0.0027322 k( 341) = ( 0.0000000 0.5000000 0.1607414), wk = 0.0027322 k( 342) = ( 0.0000000 0.5000000 0.1722229), wk = 0.0027322 k( 343) = ( 0.0000000 0.5000000 0.1837045), wk = 0.0027322 k( 344) = ( 0.0000000 0.5000000 0.1951860), wk = 0.0027322 k( 345) = ( 0.0000000 0.5000000 0.2066675), wk = 0.0027322 k( 346) = ( 0.0000000 0.5000000 0.2181490), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.0114815), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.0229631), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.0344446), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.0459261), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.0574076), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.0688892), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.0803707), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.0918522), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.1033338), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.1148153), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.1262968), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.1377783), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.1492599), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.1607414), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.1722229), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.1837045), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.1951860), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.2066675), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.2181490), wk = 0.0027322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0027322 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0027322 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0027322 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0027322 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0027322 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0027322 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0027322 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0027322 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0027322 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0027322 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027322 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0027322 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0027322 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0027322 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0027322 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0027322 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0027322 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0027322 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0027322 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0027322 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0027322 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027322 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0027322 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0027322 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0027322 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0027322 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0027322 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0027322 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0027322 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0027322 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0027322 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0027322 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027322 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0027322 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0027322 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0027322 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0027322 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0027322 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0027322 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0027322 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0027322 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0027322 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0027322 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0027322 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0027322 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0027322 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0027322 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0027322 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0027322 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0027322 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0027322 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0027322 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0027322 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027322 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0027322 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0027322 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0027322 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0027322 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0027322 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0027322 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0027322 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0027322 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0027322 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0027322 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027322 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0027322 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0027322 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0027322 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0027322 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0027322 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0027322 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0027322 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0027322 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0027322 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0027322 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027322 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0027322 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0027322 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0027322 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0027322 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0027322 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0027322 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0027322 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0027322 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0027322 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0027322 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0027322 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0027322 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0027322 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0027322 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0027322 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0027322 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0027322 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0027322 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0027322 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0027322 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0027322 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0027322 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0027322 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0027322 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0027322 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0027322 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0027322 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0027322 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0027322 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0027322 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0027322 k( 113) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0027322 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0027322 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0027322 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0027322 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0027322 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0027322 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0027322 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0027322 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0027322 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027322 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0027322 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0027322 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0027322 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0027322 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0027322 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0027322 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0027322 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0027322 k( 131) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0027322 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0027322 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0027322 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0027322 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0027322 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0027322 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0027322 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0027322 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0027322 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0027322 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0027322 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0027322 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0027322 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0027322 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0027322 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0027322 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0027322 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0027322 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0027322 k( 150) = ( 0.0241936 0.0241936 -0.0000000), wk = 0.0027322 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0027322 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0027322 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027322 k( 155) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0027322 k( 156) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0027322 k( 157) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0027322 k( 158) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0027322 k( 159) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0027322 k( 160) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0027322 k( 161) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0027322 k( 162) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0027322 k( 163) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0027322 k( 164) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0027322 k( 165) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0027322 k( 166) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0027322 k( 167) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0027322 k( 168) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0027322 k( 169) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0027322 k( 170) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0027322 k( 171) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0027322 k( 172) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0027322 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 175) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0027322 k( 176) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0027322 k( 177) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0027322 k( 178) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0027322 k( 179) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0027322 k( 180) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0027322 k( 181) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0027322 k( 182) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0027322 k( 183) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0027322 k( 184) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0027322 k( 185) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027322 k( 186) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0027322 k( 187) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0027322 k( 188) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0027322 k( 189) = ( 0.0000000 0.1704546 0.5000000), wk = 0.0027322 k( 190) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0027322 k( 191) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0027322 k( 192) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0027322 k( 193) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0027322 k( 194) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0027322 k( 195) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0027322 k( 196) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027322 k( 197) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0027322 k( 198) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0027322 k( 199) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0027322 k( 200) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0027322 k( 201) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0027322 k( 202) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0027322 k( 203) = ( 0.0000000 0.3295455 0.5000000), wk = 0.0027322 k( 204) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0027322 k( 205) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0027322 k( 206) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0027322 k( 207) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027322 k( 208) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0027322 k( 209) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0027322 k( 210) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0027322 k( 211) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0027322 k( 212) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0027322 k( 213) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0027322 k( 214) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0027322 k( 215) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0027322 k( 216) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0027322 k( 217) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0027322 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 219) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 220) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0027322 k( 221) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0027322 k( 222) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0027322 k( 223) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0027322 k( 224) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0027322 k( 225) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0027322 k( 226) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0027322 k( 227) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0027322 k( 228) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0027322 k( 229) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0027322 k( 230) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027322 k( 231) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0027322 k( 232) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0027322 k( 233) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0027322 k( 234) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0027322 k( 235) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0027322 k( 236) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0027322 k( 237) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0027322 k( 238) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0027322 k( 239) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0027322 k( 240) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0027322 k( 241) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027322 k( 242) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0027322 k( 243) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0027322 k( 244) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0027322 k( 245) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0027322 k( 246) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0027322 k( 247) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0027322 k( 248) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0027322 k( 249) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0027322 k( 250) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0027322 k( 251) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0027322 k( 252) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027322 k( 253) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0027322 k( 254) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0027322 k( 255) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0027322 k( 256) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0027322 k( 257) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0027322 k( 258) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0027322 k( 259) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0027322 k( 260) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0027322 k( 261) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0027322 k( 262) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0027322 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 k( 265) = ( 0.4919355 0.4919355 0.5000000), wk = 0.0027322 k( 266) = ( 0.4838710 0.4838710 0.5000000), wk = 0.0027322 k( 267) = ( 0.4758064 0.4758064 0.5000000), wk = 0.0027322 k( 268) = ( 0.4677419 0.4677419 0.5000000), wk = 0.0027322 k( 269) = ( 0.4596774 0.4596774 0.5000000), wk = 0.0027322 k( 270) = ( 0.4516129 0.4516129 0.5000000), wk = 0.0027322 k( 271) = ( 0.4435484 0.4435484 0.5000000), wk = 0.0027322 k( 272) = ( 0.4354839 0.4354839 0.5000000), wk = 0.0027322 k( 273) = ( 0.4274193 0.4274193 0.5000000), wk = 0.0027322 k( 274) = ( 0.4193548 0.4193548 0.5000000), wk = 0.0027322 k( 275) = ( 0.4112903 0.4112903 0.5000000), wk = 0.0027322 k( 276) = ( 0.4032258 0.4032258 0.5000000), wk = 0.0027322 k( 277) = ( 0.3951613 0.3951613 0.5000000), wk = 0.0027322 k( 278) = ( 0.3870968 0.3870968 0.5000000), wk = 0.0027322 k( 279) = ( 0.3790323 0.3790323 0.5000000), wk = 0.0027322 k( 280) = ( 0.3709677 0.3709677 0.5000000), wk = 0.0027322 k( 281) = ( 0.3629032 0.3629032 0.5000000), wk = 0.0027322 k( 282) = ( 0.3548387 0.3548387 0.5000000), wk = 0.0027322 k( 283) = ( 0.3467742 0.3467742 0.5000000), wk = 0.0027322 k( 284) = ( 0.3387097 0.3387097 0.5000000), wk = 0.0027322 k( 285) = ( 0.3306452 0.3306452 0.5000000), wk = 0.0027322 k( 286) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0027322 k( 287) = ( 0.3145161 0.3145161 0.5000000), wk = 0.0027322 k( 288) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0027322 k( 289) = ( 0.2983871 0.2983871 0.5000000), wk = 0.0027322 k( 290) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0027322 k( 291) = ( 0.2822581 0.2822581 0.5000000), wk = 0.0027322 k( 292) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0027322 k( 293) = ( 0.2661290 0.2661290 0.5000000), wk = 0.0027322 k( 294) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0027322 k( 295) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027322 k( 296) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0027322 k( 297) = ( 0.2338710 0.2338710 0.5000000), wk = 0.0027322 k( 298) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0027322 k( 299) = ( 0.2177419 0.2177419 0.5000000), wk = 0.0027322 k( 300) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0027322 k( 301) = ( 0.2016129 0.2016129 0.5000000), wk = 0.0027322 k( 302) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0027322 k( 303) = ( 0.1854839 0.1854839 0.5000000), wk = 0.0027322 k( 304) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0027322 k( 305) = ( 0.1693548 0.1693548 0.5000000), wk = 0.0027322 k( 306) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0027322 k( 307) = ( 0.1532258 0.1532258 0.5000000), wk = 0.0027322 k( 308) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0027322 k( 309) = ( 0.1370968 0.1370968 0.5000000), wk = 0.0027322 k( 310) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0027322 k( 311) = ( 0.1209677 0.1209677 0.5000000), wk = 0.0027322 k( 312) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0027322 k( 313) = ( 0.1048387 0.1048387 0.5000000), wk = 0.0027322 k( 314) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0027322 k( 315) = ( 0.0887097 0.0887097 0.5000000), wk = 0.0027322 k( 316) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0027322 k( 317) = ( 0.0725806 0.0725806 0.5000000), wk = 0.0027322 k( 318) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0027322 k( 319) = ( 0.0564516 0.0564516 0.5000000), wk = 0.0027322 k( 320) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0027322 k( 321) = ( 0.0403226 0.0403226 0.5000000), wk = 0.0027322 k( 322) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0027322 k( 323) = ( 0.0241936 0.0241936 0.5000000), wk = 0.0027322 k( 324) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0027322 k( 325) = ( 0.0080645 0.0080645 0.5000000), wk = 0.0027322 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027322 k( 327) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027322 k( 328) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0027322 k( 329) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0027322 k( 330) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0027322 k( 331) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0027322 k( 332) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0027322 k( 333) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0027322 k( 334) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0027322 k( 335) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0027322 k( 336) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0027322 k( 337) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0027322 k( 338) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0027322 k( 339) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0027322 k( 340) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0027322 k( 341) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0027322 k( 342) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0027322 k( 343) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0027322 k( 344) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0027322 k( 345) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0027322 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027322 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027322 k( 348) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0027322 k( 349) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0027322 k( 350) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0027322 k( 351) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0027322 k( 352) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0027322 k( 353) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0027322 k( 354) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0027322 k( 355) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0027322 k( 356) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0027322 k( 357) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0027322 k( 358) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0027322 k( 359) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0027322 k( 360) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0027322 k( 361) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0027322 k( 362) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0027322 k( 363) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0027322 k( 364) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0027322 k( 365) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0027322 k( 366) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027322 Dense grid: 54125 G-vectors FFT dimensions: ( 36, 36, 81) Smooth grid: 33209 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 242, 52) NL pseudopotentials 0.30 Mb ( 121, 164) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1508) G-vector shells 0.01 Mb ( 673) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 242, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./HfSiSe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs 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kpt #: 233 total cpu time spent up to now is 105.4 secs Computing kpt #: 234 total cpu time spent up to now is 105.9 secs Computing kpt #: 235 total cpu time spent up to now is 106.3 secs Computing kpt #: 236 total cpu time spent up to now is 106.7 secs Computing kpt #: 237 total cpu time spent up to now is 107.2 secs Computing kpt #: 238 total cpu time spent up to now is 107.6 secs Computing kpt #: 239 total cpu time spent up to now is 108.1 secs Computing kpt #: 240 total cpu time spent up to now is 108.6 secs Computing kpt #: 241 total cpu time spent up to now is 109.1 secs Computing kpt #: 242 total cpu time spent up to now is 109.5 secs Computing kpt #: 243 total cpu time spent up to now is 110.0 secs Computing kpt #: 244 total cpu time spent up to now is 110.5 secs Computing kpt #: 245 total cpu time spent up to now is 110.9 secs Computing kpt #: 246 total cpu time spent up to now is 111.4 secs Computing kpt #: 247 total cpu time spent up to now is 111.8 secs Computing kpt #: 248 total cpu time spent up to now is 112.3 secs Computing kpt #: 249 total cpu time spent up to now is 112.7 secs Computing kpt #: 250 total cpu time spent up to now is 113.1 secs Computing kpt #: 251 total cpu time spent up to now is 113.5 secs Computing kpt #: 252 total cpu time spent up to now is 113.9 secs Computing kpt #: 253 total cpu time spent up to now is 114.4 secs Computing kpt #: 254 total cpu time spent up to now is 114.9 secs Computing kpt #: 255 total cpu time spent up to now is 115.3 secs Computing kpt #: 256 total cpu time spent up to now is 115.8 secs Computing kpt #: 257 total cpu time spent up to now is 116.3 secs Computing kpt #: 258 total cpu time spent up to now is 116.8 secs Computing kpt #: 259 total cpu time spent up to now is 117.2 secs Computing kpt #: 260 total cpu time spent up to now is 117.7 secs Computing kpt #: 261 total cpu time spent up to now is 118.2 secs Computing kpt #: 262 total cpu time spent up to now is 118.7 secs Computing kpt #: 263 total cpu 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is 132.7 secs Computing kpt #: 294 total cpu time spent up to now is 133.1 secs Computing kpt #: 295 total cpu time spent up to now is 133.5 secs Computing kpt #: 296 total cpu time spent up to now is 134.0 secs Computing kpt #: 297 total cpu time spent up to now is 134.4 secs Computing kpt #: 298 total cpu time spent up to now is 134.8 secs Computing kpt #: 299 total cpu time spent up to now is 135.3 secs Computing kpt #: 300 total cpu time spent up to now is 135.8 secs Computing kpt #: 301 total cpu time spent up to now is 136.3 secs Computing kpt #: 302 total cpu time spent up to now is 136.8 secs Computing kpt #: 303 total cpu time spent up to now is 137.2 secs Computing kpt #: 304 total cpu time spent up to now is 137.7 secs Computing kpt #: 305 total cpu time spent up to now is 138.2 secs Computing kpt #: 306 total cpu time spent up to now is 138.8 secs Computing kpt #: 307 total cpu time spent up to now is 139.4 secs Computing kpt #: 308 total cpu time spent up to now is 139.9 secs Computing kpt #: 309 total cpu time spent up to now is 140.4 secs Computing kpt #: 310 total cpu time spent up to now is 140.9 secs Computing kpt #: 311 total cpu time spent up to now is 141.4 secs Computing kpt #: 312 total cpu time spent up to now is 141.8 secs Computing kpt #: 313 total cpu time spent up to now is 142.3 secs Computing kpt #: 314 total cpu time spent up to now is 142.8 secs Computing kpt #: 315 total cpu time spent up to now is 143.3 secs Computing kpt #: 316 total cpu time spent up to now is 143.7 secs Computing kpt #: 317 total cpu time spent up to now is 144.2 secs Computing kpt #: 318 total cpu time spent up to now is 144.6 secs Computing kpt #: 319 total cpu time spent up to now is 145.1 secs Computing kpt #: 320 total cpu time spent up to now is 145.5 secs Computing kpt #: 321 total cpu time spent up to now is 146.0 secs Computing kpt #: 322 total cpu time spent up to now is 146.5 secs Computing kpt #: 323 total cpu time spent up to now is 146.9 secs Computing kpt #: 324 total cpu time spent up to now is 147.4 secs Computing kpt #: 325 total cpu time spent up to now is 147.9 secs Computing kpt #: 326 total cpu time spent up to now is 148.3 secs Computing kpt #: 327 total cpu time spent up to now is 148.8 secs Computing kpt #: 328 total cpu time spent up to now is 149.2 secs Computing kpt #: 329 total cpu time spent up to now is 149.6 secs Computing kpt #: 330 total cpu time spent up to now is 150.0 secs Computing kpt #: 331 total cpu time spent up to now is 150.4 secs Computing kpt #: 332 total cpu time spent up to now is 150.9 secs Computing kpt #: 333 total cpu time spent up to now is 151.3 secs Computing kpt #: 334 total cpu time spent up to now is 151.8 secs Computing kpt #: 335 total cpu time spent up to now is 152.2 secs Computing kpt #: 336 total cpu time spent up to now is 152.7 secs Computing kpt #: 337 total cpu time spent up to now is 153.1 secs Computing kpt #: 338 total cpu time spent up to now is 153.5 secs Computing kpt #: 339 total cpu time spent up to now is 153.9 secs Computing kpt #: 340 total cpu time spent up to now is 154.3 secs Computing kpt #: 341 total cpu time spent up to now is 154.7 secs Computing kpt #: 342 total cpu time spent up to now is 155.1 secs Computing kpt #: 343 total cpu time spent up to now is 155.5 secs Computing kpt #: 344 total cpu time spent up to now is 155.9 secs Computing kpt #: 345 total cpu time spent up to now is 156.3 secs Computing kpt #: 346 total cpu time spent up to now is 156.7 secs Computing kpt #: 347 total cpu time spent up to now is 157.2 secs Computing kpt #: 348 total cpu time spent up to now is 157.7 secs Computing kpt #: 349 total cpu time spent up to now is 158.3 secs Computing kpt #: 350 total cpu time spent up to now is 158.8 secs Computing kpt #: 351 total cpu time spent up to now is 159.3 secs Computing kpt #: 352 total cpu time spent up to now is 159.8 secs Computing kpt #: 353 total cpu time spent up to now is 160.3 secs Computing kpt #: 354 total cpu time spent up to now is 160.8 secs Computing kpt #: 355 total cpu time spent up to now is 161.3 secs Computing kpt #: 356 total cpu time spent up to now is 161.8 secs Computing kpt #: 357 total cpu time spent up to now is 162.3 secs Computing kpt #: 358 total cpu time spent up to now is 162.8 secs Computing kpt #: 359 total cpu time spent up to now is 163.3 secs Computing kpt #: 360 total cpu time spent up to now is 163.8 secs Computing kpt #: 361 total cpu time spent up to now is 164.4 secs Computing kpt #: 362 total cpu time spent up to now is 164.9 secs Computing kpt #: 363 total cpu time spent up to now is 165.4 secs Computing kpt #: 364 total cpu time spent up to now is 165.9 secs Computing kpt #: 365 total cpu time spent up to now is 166.4 secs Computing kpt #: 366 total cpu time spent up to now is 166.9 secs ethr = 2.27E-08, avg # of iterations = 21.5 total cpu time spent up to now is 166.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4203 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4725 -24.4725 -16.7742 -16.7742 -16.7514 -16.7514 -16.7281 -16.7281 -16.7251 -16.7251 -3.0422 -3.0422 -1.2747 -1.2747 0.8737 0.8737 6.6535 6.6535 6.8471 6.8471 8.4028 8.4028 8.6976 8.6976 9.1680 9.1680 9.8039 9.8039 9.9051 9.9051 10.3414 10.3414 10.4265 10.4265 10.8932 10.8932 11.3137 11.3137 12.2052 12.2052 13.0763 13.0763 13.8443 13.8443 14.0554 14.0554 k = 0.0000 0.0114-0.0000 ( 4185 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4754 -24.4754 -24.4725 -24.4725 -16.7741 -16.7741 -16.7513 -16.7513 -16.7282 -16.7282 -16.7251 -16.7251 -3.0410 -3.0410 -1.2741 -1.2741 0.8749 0.8749 6.6547 6.6547 6.8436 6.8436 8.4029 8.4029 8.6972 8.6972 9.1496 9.1496 9.8104 9.8104 9.9111 9.9111 10.3201 10.3201 10.4409 10.4409 10.8924 10.8924 11.3141 11.3141 12.2110 12.2110 13.0832 13.0832 13.8348 13.8348 14.0401 14.0401 k = 0.0000 0.0227-0.0000 ( 4185 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4726 -24.4726 -16.7741 -16.7741 -16.7514 -16.7514 -16.7284 -16.7284 -16.7254 -16.7254 -3.0377 -3.0377 -1.2725 -1.2725 0.8786 0.8786 6.6583 6.6583 6.8332 6.8332 8.4031 8.4031 8.6960 8.6960 9.0980 9.0980 9.8249 9.8249 9.9309 9.9309 10.2743 10.2743 10.4658 10.4658 10.8903 10.8903 11.3151 11.3151 12.2281 12.2281 13.1039 13.1039 13.8089 13.8089 14.0071 14.0071 k = 0.0000 0.0341-0.0000 ( 4181 PWs) bands (ev): -50.1700 -50.1700 -50.1698 -50.1698 -24.4756 -24.4756 -24.4726 -24.4726 -16.7742 -16.7742 -16.7515 -16.7515 -16.7289 -16.7289 -16.7259 -16.7259 -3.0321 -3.0321 -1.2698 -1.2698 0.8848 0.8848 6.6641 6.6641 6.8161 6.8161 8.4034 8.4034 8.6941 8.6941 9.0205 9.0205 9.8392 9.8392 9.9660 9.9660 10.2169 10.2169 10.4880 10.4880 10.8876 10.8876 11.3167 11.3167 12.2555 12.2555 13.1381 13.1381 13.7719 13.7719 13.9679 13.9679 k = 0.0000 0.0455-0.0000 ( 4177 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4757 -24.4757 -24.4728 -24.4728 -16.7742 -16.7742 -16.7517 -16.7517 -16.7295 -16.7295 -16.7266 -16.7266 -3.0243 -3.0243 -1.2661 -1.2661 0.8934 0.8934 6.6718 6.6718 6.7926 6.7926 8.4038 8.4038 8.6917 8.6917 8.9245 8.9245 9.8505 9.8505 10.0131 10.0131 10.1507 10.1507 10.5041 10.5041 10.8856 10.8856 11.3186 11.3186 12.2921 12.2921 13.1856 13.1856 13.7290 13.7290 13.9255 13.9255 k = 0.0000 0.0568-0.0000 ( 4175 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4758 -24.4758 -24.4730 -24.4730 -16.7744 -16.7744 -16.7519 -16.7519 -16.7303 -16.7303 -16.7274 -16.7274 -3.0143 -3.0143 -1.2613 -1.2613 0.9045 0.9045 6.6806 6.6806 6.7638 6.7638 8.4040 8.4040 8.6882 8.6882 8.8166 8.8166 9.8600 9.8600 10.0672 10.0672 10.0768 10.0768 10.5128 10.5128 10.8856 10.8856 11.3207 11.3207 12.3364 12.3364 13.2457 13.2457 13.6841 13.6841 13.8806 13.8806 k = 0.0000 0.0682-0.0000 ( 4175 PWs) bands (ev): -50.1699 -50.1699 -50.1697 -50.1697 -24.4761 -24.4761 -24.4732 -24.4732 -16.7745 -16.7745 -16.7523 -16.7523 -16.7313 -16.7313 -16.7283 -16.7283 -3.0021 -3.0021 -1.2556 -1.2556 0.9180 0.9180 6.6854 6.6854 6.7351 6.7351 8.4029 8.4029 8.6699 8.6699 8.7153 8.7153 9.8687 9.8687 9.9958 9.9958 10.1247 10.1247 10.5131 10.5131 10.8889 10.8889 11.3228 11.3228 12.3868 12.3868 13.3171 13.3171 13.6398 13.6398 13.8342 13.8342 k = 0.0000 0.0795-0.0000 ( 4171 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4764 -24.4764 -24.4735 -24.4735 -16.7748 -16.7748 -16.7527 -16.7527 -16.7325 -16.7325 -16.7293 -16.7293 -2.9877 -2.9877 -1.2489 -1.2489 0.9340 0.9340 6.6653 6.6653 6.7275 6.7275 8.3955 8.3955 8.5708 8.5708 8.6949 8.6949 9.8731 9.8731 9.9128 9.9128 10.1833 10.1833 10.5052 10.5052 10.8962 10.8962 11.3248 11.3248 12.4420 12.4420 13.3969 13.3969 13.5984 13.5984 13.7879 13.7879 k = 0.0000 0.0909-0.0000 ( 4171 PWs) bands (ev): -50.1697 -50.1697 -50.1696 -50.1696 -24.4766 -24.4766 -24.4738 -24.4738 -16.7751 -16.7751 -16.7534 -16.7534 -16.7337 -16.7337 -16.7304 -16.7304 -2.9712 -2.9712 -1.2415 -1.2415 0.9525 0.9525 6.6217 6.6217 6.7401 6.7401 8.3541 8.3541 8.4826 8.4826 8.6934 8.6934 9.8073 9.8073 9.8947 9.8947 10.2416 10.2416 10.4898 10.4898 10.9077 10.9077 11.3267 11.3267 12.5008 12.5008 13.4729 13.4729 13.5691 13.5691 13.7450 13.7450 k = 0.0000 0.1023-0.0000 ( 4161 PWs) bands (ev): -50.1697 -50.1697 -50.1695 -50.1695 -24.4769 -24.4769 -24.4741 -24.4741 -16.7756 -16.7756 -16.7542 -16.7542 -16.7350 -16.7350 -16.7314 -16.7314 -2.9525 -2.9525 -1.2332 -1.2332 0.9734 0.9734 6.5692 6.5692 6.7586 6.7586 8.2451 8.2451 8.4571 8.4571 8.6944 8.6944 9.7083 9.7083 9.9054 9.9054 10.2979 10.2979 10.4688 10.4688 10.9228 10.9228 11.3286 11.3286 12.5622 12.5622 13.4879 13.4879 13.5948 13.5948 13.7195 13.7195 k = 0.0000 0.1136-0.0000 ( 4165 PWs) bands (ev): -50.1696 -50.1696 -50.1695 -50.1695 -24.4773 -24.4773 -24.4746 -24.4746 -16.7762 -16.7762 -16.7553 -16.7553 -16.7363 -16.7363 -16.7324 -16.7324 -2.9318 -2.9318 -1.2243 -1.2243 0.9968 0.9968 6.5111 6.5111 6.7802 6.7802 8.1078 8.1078 8.4571 8.4571 8.6971 8.6971 9.6032 9.6032 9.9187 9.9187 10.3467 10.3467 10.4484 10.4484 10.9408 10.9408 11.3306 11.3306 12.6255 12.6255 13.4573 13.4573 13.6073 13.6073 13.7636 13.7636 k = 0.0000 0.1250-0.0000 ( 4161 PWs) bands (ev): -50.1695 -50.1695 -50.1694 -50.1694 -24.4777 -24.4777 -24.4750 -24.4750 -16.7769 -16.7769 -16.7566 -16.7566 -16.7377 -16.7377 -16.7333 -16.7333 -2.9090 -2.9090 -1.2148 -1.2148 1.0226 1.0226 6.4487 6.4487 6.8040 6.8040 7.9621 7.9621 8.4640 8.4640 8.7013 8.7013 9.4938 9.4938 9.9339 9.9339 10.3642 10.3642 10.4529 10.4529 10.9606 10.9606 11.3328 11.3328 12.6901 12.6901 13.4218 13.4218 13.5785 13.5785 13.8638 13.8638 k = 0.0000 0.1364-0.0000 ( 4163 PWs) bands (ev): -50.1694 -50.1694 -50.1693 -50.1693 -24.4781 -24.4781 -24.4755 -24.4755 -16.7779 -16.7779 -16.7583 -16.7583 -16.7390 -16.7390 -16.7340 -16.7340 -2.8842 -2.8842 -1.2049 -1.2049 1.0509 1.0509 6.3828 6.3828 6.8298 6.8298 7.8122 7.8122 8.4743 8.4743 8.7072 8.7072 9.3811 9.3811 9.9510 9.9510 10.3395 10.3395 10.4939 10.4939 10.9813 10.9813 11.3353 11.3353 12.7553 12.7553 13.3867 13.3867 13.5442 13.5442 13.9780 13.9780 k = 0.0000 0.1477-0.0000 ( 4167 PWs) bands (ev): -50.1694 -50.1694 -50.1692 -50.1692 -24.4786 -24.4786 -24.4760 -24.4760 -16.7791 -16.7791 -16.7603 -16.7603 -16.7401 -16.7401 -16.7346 -16.7346 -2.8574 -2.8574 -1.1946 -1.1946 1.0817 1.0817 6.3140 6.3140 6.8571 6.8571 7.6601 7.6601 8.4866 8.4866 8.7146 8.7146 9.2661 9.2661 9.9699 9.9699 10.3003 10.3003 10.5440 10.5440 11.0021 11.0021 11.3387 11.3387 12.8204 12.8204 13.3538 13.3538 13.5119 13.5119 14.0959 14.0959 k = 0.0000 0.1591-0.0000 ( 4177 PWs) bands (ev): -50.1693 -50.1693 -50.1691 -50.1691 -24.4792 -24.4792 -24.4766 -24.4766 -16.7807 -16.7807 -16.7627 -16.7627 -16.7412 -16.7412 -16.7351 -16.7351 -2.8287 -2.8287 -1.1840 -1.1840 1.1149 1.1149 6.2429 6.2429 6.8858 6.8858 7.5066 7.5066 8.5003 8.5003 8.7235 8.7235 9.1500 9.1500 9.9909 9.9909 10.2557 10.2557 10.5943 10.5943 11.0220 11.0220 11.3431 11.3431 12.8842 12.8842 13.3250 13.3250 13.4830 13.4830 14.2126 14.2126 k = 0.0000 0.1705-0.0000 ( 4177 PWs) bands (ev): -50.1692 -50.1692 -50.1690 -50.1690 -24.4797 -24.4797 -24.4771 -24.4771 -16.7825 -16.7825 -16.7653 -16.7653 -16.7421 -16.7421 -16.7352 -16.7352 -2.7982 -2.7982 -1.1734 -1.1734 1.1506 1.1506 6.1703 6.1703 6.9153 6.9153 7.3525 7.3525 8.5150 8.5150 8.7338 8.7338 9.0342 9.0342 10.0138 10.0138 10.2078 10.2078 10.6424 10.6424 11.0403 11.0403 11.3494 11.3494 12.9448 12.9448 13.3031 13.3031 13.4577 13.4577 14.3208 14.3208 k = 0.0000 0.1818-0.0000 ( 4167 PWs) bands (ev): -50.1690 -50.1690 -50.1689 -50.1689 -24.4802 -24.4802 -24.4776 -24.4776 -16.7845 -16.7845 -16.7681 -16.7681 -16.7428 -16.7428 -16.7353 -16.7353 -2.7658 -2.7658 -1.1628 -1.1628 1.1888 1.1888 6.0966 6.0966 6.9452 6.9452 7.1984 7.1984 8.5299 8.5299 8.7437 8.7437 8.9214 8.9214 10.0387 10.0387 10.1580 10.1580 10.6870 10.6870 11.0562 11.0562 11.3581 11.3581 12.9988 12.9988 13.2924 13.2924 13.4356 13.4356 14.4022 14.4022 k = 0.0000 0.1932-0.0000 ( 4167 PWs) bands (ev): -50.1689 -50.1689 -50.1688 -50.1688 -24.4808 -24.4808 -24.4782 -24.4782 -16.7868 -16.7868 -16.7712 -16.7712 -16.7433 -16.7433 -16.7353 -16.7353 -2.7316 -2.7316 -1.1525 -1.1525 1.2294 1.2294 6.0223 6.0223 6.9744 6.9744 7.0453 7.0453 8.5445 8.5445 8.7405 8.7405 8.8263 8.8263 10.0640 10.0640 10.1084 10.1084 10.7266 10.7266 11.0689 11.0689 11.3702 11.3702 13.0414 13.0414 13.2984 13.2984 13.4161 13.4161 14.4423 14.4423 k = 0.0000 0.2045-0.0000 ( 4167 PWs) bands (ev): -50.1688 -50.1688 -50.1687 -50.1687 -24.4814 -24.4814 -24.4788 -24.4788 -16.7893 -16.7893 -16.7745 -16.7745 -16.7436 -16.7436 -16.7352 -16.7352 -2.6958 -2.6958 -1.1425 -1.1425 1.2725 1.2725 5.9478 5.9478 6.8910 6.8910 7.0047 7.0047 8.5567 8.5567 8.6717 8.6717 8.8040 8.8040 10.0483 10.0483 10.1009 10.1009 10.7602 10.7602 11.0776 11.0776 11.3867 11.3867 13.0694 13.0694 13.3246 13.3246 13.3990 13.3990 14.4644 14.4644 k = 0.0000 0.2159-0.0000 ( 4169 PWs) bands (ev): -50.1687 -50.1687 -50.1686 -50.1686 -24.4820 -24.4820 -24.4794 -24.4794 -16.7920 -16.7920 -16.7779 -16.7779 -16.7437 -16.7437 -16.7351 -16.7351 -2.6583 -2.6583 -1.1330 -1.1330 1.3181 1.3181 5.8734 5.8734 6.7401 6.7401 7.0312 7.0312 8.5441 8.5441 8.5965 8.5965 8.8191 8.8191 9.9961 9.9961 10.1315 10.1315 10.7864 10.7864 11.0819 11.0819 11.4086 11.4086 13.0855 13.0855 13.3622 13.3622 13.3902 13.3902 14.4830 14.4830 k = 0.0000 0.2273-0.0000 ( 4169 PWs) bands (ev): -50.1686 -50.1686 -50.1685 -50.1685 -24.4826 -24.4826 -24.4801 -24.4801 -16.7949 -16.7949 -16.7815 -16.7815 -16.7437 -16.7437 -16.7349 -16.7349 -2.6192 -2.6192 -1.1242 -1.1242 1.3661 1.3661 5.7993 5.7993 6.5909 6.5909 7.0544 7.0544 8.4575 8.4575 8.5954 8.5954 8.8417 8.8417 9.9419 9.9419 10.1662 10.1662 10.8043 10.8043 11.0812 11.0812 11.4367 11.4367 13.0962 13.0962 13.3603 13.3603 13.4338 13.4338 14.5019 14.5019 k = 0.0000 0.2386-0.0000 ( 4165 PWs) bands (ev): -50.1685 -50.1685 -50.1684 -50.1684 -24.4831 -24.4831 -24.4807 -24.4807 -16.7979 -16.7979 -16.7851 -16.7851 -16.7435 -16.7435 -16.7346 -16.7346 -2.5787 -2.5787 -1.1163 -1.1163 1.4166 1.4166 5.7255 5.7255 6.4445 6.4445 7.0723 7.0723 8.3652 8.3652 8.6061 8.6061 8.8682 8.8682 9.8872 9.8872 10.2036 10.2036 10.8134 10.8134 11.0753 11.0753 11.4713 11.4713 13.1064 13.1064 13.3452 13.3452 13.4975 13.4975 14.5224 14.5224 k = 0.0000 0.2500-0.0000 ( 4159 PWs) bands (ev): -50.1684 -50.1684 -50.1683 -50.1683 -24.4837 -24.4837 -24.4813 -24.4813 -16.8010 -16.8010 -16.7889 -16.7889 -16.7431 -16.7431 -16.7343 -16.7343 -2.5367 -2.5367 -1.1095 -1.1095 1.4696 1.4696 5.6517 5.6517 6.3017 6.3017 7.0826 7.0826 8.2816 8.2816 8.6171 8.6171 8.8976 8.8976 9.8324 9.8324 10.2438 10.2438 10.8137 10.8137 11.0640 11.0640 11.5123 11.5123 13.1181 13.1181 13.3294 13.3294 13.5657 13.5657 14.5451 14.5451 k = 0.0000 0.2614-0.0000 ( 4159 PWs) bands (ev): -50.1682 -50.1682 -50.1682 -50.1682 -24.4843 -24.4843 -24.4820 -24.4820 -16.8042 -16.8042 -16.7926 -16.7926 -16.7428 -16.7428 -16.7340 -16.7340 -2.4934 -2.4934 -1.1039 -1.1039 1.5250 1.5250 5.5774 5.5774 6.1637 6.1637 7.0826 7.0826 8.2109 8.2109 8.6277 8.6277 8.9293 8.9293 9.7778 9.7778 10.2866 10.2866 10.8054 10.8054 11.0474 11.0474 11.5592 11.5592 13.1305 13.1305 13.3144 13.3144 13.6359 13.6359 14.5700 14.5700 k = 0.0000 0.2727-0.0000 ( 4159 PWs) bands (ev): -50.1681 -50.1681 -50.1680 -50.1680 -24.4848 -24.4848 -24.4826 -24.4826 -16.8074 -16.8074 -16.7964 -16.7964 -16.7423 -16.7423 -16.7336 -16.7336 -2.4489 -2.4489 -1.0997 -1.0997 1.5829 1.5829 5.5014 5.5014 6.0322 6.0322 7.0698 7.0698 8.1560 8.1560 8.6379 8.6379 8.9630 8.9630 9.7236 9.7236 10.3322 10.3322 10.7893 10.7893 11.0257 11.0257 11.6113 11.6113 13.1401 13.1401 13.3034 13.3034 13.7065 13.7065 14.5965 14.5965 k = 0.0000 0.2841-0.0000 ( 4159 PWs) bands (ev): -50.1680 -50.1680 -50.1679 -50.1679 -24.4854 -24.4854 -24.4833 -24.4833 -16.8107 -16.8107 -16.8002 -16.8002 -16.7417 -16.7417 -16.7333 -16.7333 -2.4033 -2.4033 -1.0970 -1.0970 1.6432 1.6432 5.4220 5.4220 5.9094 5.9094 7.0423 7.0423 8.1193 8.1193 8.6476 8.6476 8.9982 8.9982 9.6701 9.6701 10.3804 10.3804 10.7662 10.7662 10.9993 10.9993 11.6678 11.6678 13.1403 13.1403 13.3017 13.3017 13.7761 13.7761 14.6049 14.6049 k = 0.0000 0.2955-0.0000 ( 4159 PWs) bands (ev): -50.1679 -50.1679 -50.1678 -50.1678 -24.4860 -24.4860 -24.4840 -24.4840 -16.8139 -16.8139 -16.8039 -16.8039 -16.7412 -16.7412 -16.7330 -16.7330 -2.3566 -2.3566 -1.0961 -1.0961 1.7060 1.7060 5.3370 5.3370 5.7980 5.7980 6.9997 6.9997 8.1013 8.1013 8.6571 8.6571 9.0346 9.0346 9.6173 9.6173 10.4312 10.4312 10.7367 10.7367 10.9687 10.9687 11.7280 11.7280 13.1254 13.1254 13.3135 13.3135 13.8433 13.8433 14.5746 14.5746 k = 0.0000 0.3068-0.0000 ( 4155 PWs) bands (ev): -50.1678 -50.1678 -50.1677 -50.1677 -24.4865 -24.4865 -24.4846 -24.4846 -16.8170 -16.8170 -16.8076 -16.8076 -16.7405 -16.7405 -16.7326 -16.7326 -2.3089 -2.3089 -1.0972 -1.0972 1.7713 1.7713 5.2443 5.2443 5.7005 5.7005 6.9430 6.9430 8.1010 8.1010 8.6665 8.6665 9.0716 9.0716 9.5656 9.5656 10.4847 10.4847 10.7016 10.7016 10.9342 10.9342 11.7912 11.7912 13.0956 13.0956 13.3367 13.3367 13.9065 13.9065 14.5530 14.5530 k = 0.0000 0.3182-0.0000 ( 4155 PWs) bands (ev): -50.1677 -50.1677 -50.1676 -50.1676 -24.4870 -24.4870 -24.4852 -24.4852 -16.8201 -16.8201 -16.8112 -16.8112 -16.7399 -16.7399 -16.7323 -16.7323 -2.2604 -2.2604 -1.1002 -1.1002 1.8391 1.8391 5.1428 5.1428 5.6183 5.6183 6.8748 6.8748 8.1164 8.1164 8.6760 8.6760 9.1089 9.1089 9.5149 9.5149 10.5406 10.5406 10.6618 10.6618 10.8966 10.8966 11.8568 11.8568 13.0543 13.0543 13.3661 13.3661 13.9637 13.9637 14.5452 14.5452 k = 0.0000 0.3295-0.0000 ( 4153 PWs) bands (ev): -50.1676 -50.1676 -50.1675 -50.1675 -24.4875 -24.4875 -24.4858 -24.4858 -16.8231 -16.8231 -16.8147 -16.8147 -16.7392 -16.7392 -16.7320 -16.7320 -2.2113 -2.2113 -1.1055 -1.1055 1.9093 1.9093 5.0331 5.0331 5.5513 5.5513 6.7978 6.7978 8.1446 8.1446 8.6857 8.6857 9.1461 9.1461 9.4657 9.4657 10.5962 10.5962 10.6205 10.6205 10.8564 10.8564 11.9244 11.9244 13.0040 13.0040 13.3974 13.3974 14.0130 14.0130 14.5534 14.5534 k = 0.0000 0.3409-0.0000 ( 4153 PWs) bands (ev): -50.1675 -50.1675 -50.1674 -50.1674 -24.4880 -24.4880 -24.4864 -24.4864 -16.8260 -16.8260 -16.8181 -16.8181 -16.7385 -16.7385 -16.7317 -16.7317 -2.1615 -2.1615 -1.1131 -1.1131 1.9819 1.9819 4.9169 4.9169 5.4978 5.4978 6.7145 6.7145 8.1831 8.1831 8.6958 8.6958 9.1823 9.1823 9.4180 9.4180 10.5681 10.5681 10.6617 10.6617 10.8144 10.8144 11.9935 11.9935 12.9463 12.9463 13.4272 13.4272 14.0536 14.0536 14.5787 14.5787 k = 0.0000 0.3523-0.0000 ( 4157 PWs) bands (ev): -50.1674 -50.1674 -50.1673 -50.1673 -24.4885 -24.4885 -24.4870 -24.4870 -16.8288 -16.8288 -16.8214 -16.8214 -16.7379 -16.7379 -16.7314 -16.7314 -2.1112 -2.1112 -1.1231 -1.1231 2.0570 2.0570 4.7963 4.7963 5.4562 5.4562 6.6274 6.6274 8.2298 8.2298 8.7065 8.7065 9.2166 9.2166 9.3726 9.3726 10.5180 10.5180 10.7223 10.7223 10.7731 10.7731 12.0637 12.0637 12.8824 12.8824 13.4528 13.4528 14.0864 14.0864 14.6201 14.6201 k = 0.0000 0.3636-0.0000 ( 4155 PWs) bands (ev): -50.1673 -50.1673 -50.1672 -50.1672 -24.4889 -24.4889 -24.4875 -24.4875 -16.8314 -16.8314 -16.8245 -16.8245 -16.7372 -16.7372 -16.7311 -16.7311 -2.0606 -2.0606 -1.1355 -1.1355 2.1346 2.1346 4.6732 4.6732 5.4248 5.4248 6.5381 6.5381 8.2827 8.2827 8.7180 8.7180 9.2460 9.2460 9.3319 9.3319 10.4659 10.4659 10.7204 10.7204 10.7959 10.7959 12.1346 12.1346 12.8133 12.8133 13.4719 13.4719 14.1138 14.1138 14.6748 14.6748 k = 0.0000 0.3750-0.0000 ( 4159 PWs) bands (ev): -50.1672 -50.1672 -50.1671 -50.1671 -24.4894 -24.4894 -24.4880 -24.4880 -16.8338 -16.8338 -16.8275 -16.8275 -16.7366 -16.7366 -16.7309 -16.7309 -2.0098 -2.0098 -1.1506 -1.1506 2.2146 2.2146 4.5489 4.5489 5.4024 5.4024 6.4482 6.4482 8.3405 8.3405 8.7305 8.7305 9.2546 9.2546 9.3110 9.3110 10.4129 10.4129 10.6758 10.6758 10.8630 10.8630 12.2056 12.2056 12.7402 12.7402 13.4827 13.4827 14.1387 14.1387 14.7390 14.7390 k = 0.0000 0.3864-0.0000 ( 4159 PWs) bands (ev): -50.1671 -50.1671 -50.1671 -50.1671 -24.4897 -24.4897 -24.4885 -24.4885 -16.8360 -16.8360 -16.8303 -16.8303 -16.7359 -16.7359 -16.7308 -16.7308 -1.9589 -1.9589 -1.1682 -1.1682 2.2970 2.2970 4.4243 4.4243 5.3882 5.3882 6.3586 6.3586 8.4019 8.4019 8.7443 8.7443 9.2264 9.2264 9.3251 9.3251 10.3606 10.3606 10.6294 10.6294 10.9339 10.9339 12.2753 12.2753 12.6649 12.6649 13.4837 13.4837 14.1638 14.1638 14.8080 14.8080 k = 0.0000 0.3977-0.0000 ( 4157 PWs) bands (ev): -50.1670 -50.1670 -50.1670 -50.1670 -24.4901 -24.4901 -24.4889 -24.4889 -16.8380 -16.8380 -16.8329 -16.8329 -16.7353 -16.7353 -16.7306 -16.7306 -1.9081 -1.9081 -1.1885 -1.1885 2.3819 2.3819 4.3003 4.3003 5.3816 5.3816 6.2703 6.2703 8.4657 8.4657 8.7597 8.7597 9.1887 9.1887 9.3454 9.3454 10.3104 10.3104 10.5826 10.5826 11.0073 11.0073 12.3403 12.3403 12.5915 12.5915 13.4744 13.4744 14.1910 14.1910 14.8747 14.8747 k = 0.0000 0.4091-0.0000 ( 4141 PWs) bands (ev): -50.1670 -50.1670 -50.1669 -50.1669 -24.4903 -24.4903 -24.4892 -24.4892 -16.8398 -16.8398 -16.8351 -16.8351 -16.7347 -16.7347 -16.7304 -16.7304 -1.8575 -1.8575 -1.2113 -1.2113 2.4692 2.4692 4.1771 4.1771 5.3823 5.3823 6.1839 6.1839 8.5308 8.5308 8.7775 8.7775 9.1506 9.1506 9.3616 9.3616 10.2643 10.2643 10.5359 10.5359 11.0830 11.0830 12.3833 12.3833 12.5376 12.5376 13.4547 13.4547 14.2215 14.2215 14.9218 14.9218 k = 0.0000 0.4205-0.0000 ( 4143 PWs) bands (ev): -50.1669 -50.1669 -50.1669 -50.1669 -24.4905 -24.4905 -24.4896 -24.4896 -16.8414 -16.8414 -16.8373 -16.8373 -16.7341 -16.7341 -16.7304 -16.7304 -1.8073 -1.8073 -1.2368 -1.2368 2.5589 2.5589 4.0553 4.0553 5.3899 5.3899 6.1001 6.1001 8.5955 8.5955 8.7986 8.7986 9.1135 9.1135 9.3705 9.3705 10.2242 10.2242 10.4897 10.4897 11.1608 11.1608 12.3584 12.3584 12.5498 12.5498 13.4251 13.4251 14.2558 14.2558 14.9275 14.9275 k = 0.0000 0.4318-0.0000 ( 4139 PWs) bands (ev): -50.1669 -50.1669 -50.1668 -50.1668 -24.4907 -24.4907 -24.4900 -24.4900 -16.8427 -16.8427 -16.8392 -16.8392 -16.7335 -16.7335 -16.7304 -16.7304 -1.7577 -1.7577 -1.2648 -1.2648 2.6510 2.6510 3.9350 3.9350 5.4041 5.4041 6.0193 6.0193 8.6575 8.6575 8.8247 8.8247 9.0778 9.0778 9.3700 9.3700 10.1924 10.1924 10.4443 10.4443 11.2406 11.2406 12.2861 12.2861 12.6078 12.6078 13.3866 13.3866 14.2941 14.2941 14.9028 14.9028 k = 0.0000 0.4432-0.0000 ( 4144 PWs) bands (ev): -50.1668 -50.1668 -50.1668 -50.1668 -24.4909 -24.4909 -24.4903 -24.4903 -16.8439 -16.8439 -16.8410 -16.8410 -16.7330 -16.7330 -16.7304 -16.7304 -1.7087 -1.7087 -1.2952 -1.2952 2.7455 2.7455 3.8164 3.8164 5.4249 5.4249 5.9419 5.9419 8.7134 8.7134 8.8586 8.8586 9.0438 9.0438 9.3586 9.3586 10.1705 10.1705 10.4000 10.4000 11.3223 11.3223 12.2017 12.2017 12.6766 12.6766 13.3405 13.3405 14.3364 14.3364 14.8632 14.8632 k = 0.0000 0.4545-0.0000 ( 4140 PWs) bands (ev): -50.1668 -50.1668 -50.1667 -50.1667 -24.4911 -24.4911 -24.4905 -24.4905 -16.8448 -16.8448 -16.8423 -16.8423 -16.7326 -16.7326 -16.7304 -16.7304 -1.6607 -1.6607 -1.3280 -1.3280 2.8424 2.8424 3.6996 3.6996 5.4519 5.4519 5.8684 5.8684 8.7600 8.7600 8.9022 8.9022 9.0122 9.0122 9.3355 9.3355 10.1596 10.1596 10.3572 10.3572 11.4058 11.4058 12.1136 12.1136 12.7482 12.7482 13.2879 13.2879 14.3823 14.3823 14.8155 14.8155 k = 0.0000 0.4659-0.0000 ( 4134 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4907 -24.4907 -16.8453 -16.8453 -16.8435 -16.8435 -16.7322 -16.7322 -16.7305 -16.7305 -1.6137 -1.6137 -1.3631 -1.3631 2.9417 2.9417 3.5849 3.5849 5.4849 5.4849 5.7990 5.7990 8.7976 8.7976 8.9473 8.9473 8.9904 8.9904 9.3013 9.3013 10.1595 10.1595 10.3164 10.3164 11.4909 11.4909 12.0240 12.0240 12.8205 12.8205 13.2300 13.2300 14.4316 14.4316 14.7629 14.7629 k = 0.0000 0.4773-0.0000 ( 4126 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4908 -24.4908 -16.8457 -16.8457 -16.8445 -16.8445 -16.7317 -16.7317 -16.7306 -16.7306 -1.5679 -1.5679 -1.4004 -1.4004 3.0432 3.0432 3.4722 3.4722 5.5239 5.5239 5.7340 5.7340 8.8294 8.8294 8.9411 8.9411 9.0269 9.0269 9.2572 9.2572 10.1693 10.1693 10.2782 10.2782 11.5775 11.5775 11.9339 11.9339 12.8927 12.8927 13.1678 13.1678 14.4837 14.4837 14.7076 14.7076 k = 0.0000 0.4886-0.0000 ( 4130 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4910 -24.4910 -16.8458 -16.8458 -16.8452 -16.8452 -16.7314 -16.7314 -16.7309 -16.7309 -1.5236 -1.5236 -1.4396 -1.4396 3.1471 3.1471 3.3616 3.3616 5.5685 5.5685 5.6738 5.6738 8.8584 8.8584 8.9143 8.9143 9.0870 9.0870 9.2053 9.2053 10.1876 10.1876 10.2434 10.2434 11.6653 11.6653 11.8438 11.8438 12.9641 12.9641 13.1022 13.1022 14.5381 14.5381 14.6509 14.6509 k = 0.0000 0.5000-0.0000 ( 4124 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4910 -24.4910 -24.4910 -24.4910 -16.8456 -16.8456 -16.8456 -16.8456 -16.7311 -16.7311 -16.7311 -16.7311 -1.4807 -1.4807 -1.4807 -1.4807 3.2532 3.2532 3.2532 3.2532 5.6185 5.6185 5.6185 5.6185 8.8865 8.8865 8.8865 8.8865 9.1477 9.1477 9.1477 9.1477 10.2128 10.2128 10.2128 10.2128 11.7541 11.7541 11.7541 11.7541 13.0341 13.0341 13.0341 13.0341 14.5941 14.5941 14.5941 14.5941 k = 0.0000 0.5000-0.0000 ( 4124 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4910 -24.4910 -24.4910 -24.4910 -16.8456 -16.8456 -16.8456 -16.8456 -16.7311 -16.7311 -16.7311 -16.7311 -1.4807 -1.4807 -1.4807 -1.4807 3.2532 3.2532 3.2532 3.2532 5.6185 5.6185 5.6185 5.6185 8.8865 8.8865 8.8865 8.8865 9.1477 9.1477 9.1477 9.1477 10.2128 10.2128 10.2128 10.2128 11.7541 11.7541 11.7541 11.7541 13.0341 13.0341 13.0341 13.0341 14.5941 14.5941 14.5941 14.5941 k = 0.0114 0.5000-0.0000 ( 4128 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8456 -16.8456 -16.8455 -16.8455 -16.7314 -16.7314 -16.7311 -16.7311 -1.4805 -1.4805 -1.4804 -1.4804 3.2533 3.2533 3.2559 3.2559 5.6176 5.6176 5.6210 5.6210 8.8827 8.8827 8.8852 8.8852 9.1447 9.1447 9.1497 9.1497 10.2125 10.2125 10.2129 10.2129 11.7229 11.7229 11.7482 11.7482 13.0335 13.0335 13.0681 13.0681 14.5839 14.5839 14.6058 14.6058 k = 0.0227 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4911 -24.4911 -16.8456 -16.8456 -16.8455 -16.8455 -16.7318 -16.7318 -16.7313 -16.7313 -1.4796 -1.4796 -1.4795 -1.4795 3.2560 3.2560 3.2613 3.2613 5.6182 5.6182 5.6252 5.6252 8.8741 8.8741 8.8785 8.8785 9.1408 9.1408 9.1503 9.1503 10.2121 10.2121 10.2128 10.2128 11.6592 11.6592 11.7057 11.7057 13.0656 13.0656 13.1305 13.1305 14.5756 14.5756 14.6189 14.6189 k = 0.0341 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4914 -24.4914 -24.4912 -24.4912 -16.8456 -16.8456 -16.8453 -16.8453 -16.7325 -16.7325 -16.7317 -16.7317 -1.4782 -1.4782 -1.4779 -1.4779 3.2615 3.2615 3.2693 3.2693 5.6205 5.6205 5.6308 5.6308 8.8610 8.8610 8.8664 8.8664 9.1363 9.1363 9.1493 9.1493 10.2115 10.2115 10.2124 10.2124 11.5703 11.5703 11.6324 11.6324 13.1245 13.1245 13.2139 13.2139 14.5693 14.5693 14.6330 14.6330 k = 0.0455 0.5000-0.0000 ( 4138 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4915 -24.4915 -24.4913 -24.4913 -16.8456 -16.8456 -16.8452 -16.8452 -16.7333 -16.7333 -16.7323 -16.7323 -1.4762 -1.4762 -1.4758 -1.4758 3.2696 3.2696 3.2800 3.2800 5.6243 5.6243 5.6379 5.6379 8.8439 8.8439 8.8488 8.8488 9.1315 9.1315 9.1464 9.1464 10.2108 10.2108 10.2116 10.2116 11.4634 11.4634 11.5359 11.5359 13.2024 13.2024 13.3109 13.3109 14.5651 14.5651 14.6479 14.6479 k = 0.0568 0.5000-0.0000 ( 4138 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4917 -24.4917 -24.4915 -24.4915 -16.8455 -16.8455 -16.8451 -16.8451 -16.7343 -16.7343 -16.7331 -16.7331 -1.4736 -1.4736 -1.4732 -1.4732 3.2805 3.2805 3.2934 3.2934 5.6297 5.6297 5.6465 5.6465 8.8231 8.8231 8.8259 8.8259 9.1263 9.1263 9.1416 9.1416 10.2099 10.2099 10.2103 10.2103 11.3438 11.3438 11.4231 11.4231 13.2921 13.2921 13.4156 13.4156 14.5632 14.5632 14.6631 14.6631 k = 0.0682 0.5000-0.0000 ( 4142 PWs) bands (ev): -50.1665 -50.1665 -50.1665 -50.1665 -24.4920 -24.4920 -24.4917 -24.4917 -16.8454 -16.8454 -16.8449 -16.8449 -16.7356 -16.7356 -16.7341 -16.7341 -1.4704 -1.4704 -1.4699 -1.4699 3.2940 3.2940 3.3095 3.3095 5.6365 5.6365 5.6564 5.6564 8.7982 8.7982 8.7989 8.7989 9.1206 9.1206 9.1349 9.1349 10.2085 10.2085 10.2087 10.2087 11.2155 11.2155 11.2992 11.2992 13.3881 13.3881 13.5233 13.5233 14.5637 14.5637 14.6783 14.6783 k = 0.0795 0.5000-0.0000 ( 4142 PWs) bands (ev): -50.1665 -50.1665 -50.1665 -50.1665 -24.4923 -24.4923 -24.4919 -24.4919 -16.8453 -16.8453 -16.8447 -16.8447 -16.7370 -16.7370 -16.7353 -16.7353 -1.4667 -1.4667 -1.4662 -1.4662 3.3102 3.3102 3.3282 3.3282 5.6448 5.6448 5.6676 5.6676 8.7662 8.7662 8.7715 8.7715 9.1143 9.1143 9.1262 9.1262 10.2058 10.2058 10.2070 10.2070 11.0812 11.0812 11.1678 11.1678 13.4862 13.4862 13.6306 13.6306 14.5669 14.5669 14.6935 14.6935 k = 0.0909 0.5000-0.0000 ( 4128 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4925 -24.4925 -24.4921 -24.4921 -16.8452 -16.8452 -16.8445 -16.8445 -16.7384 -16.7384 -16.7365 -16.7365 -1.4625 -1.4625 -1.4619 -1.4619 3.3291 3.3291 3.3495 3.3495 5.6544 5.6544 5.6799 5.6799 8.7302 8.7302 8.7415 8.7415 9.1072 9.1072 9.1156 9.1156 10.2021 10.2021 10.2047 10.2047 10.9432 10.9432 11.0318 11.0318 13.5831 13.5831 13.7343 13.7343 14.5731 14.5731 14.7087 14.7087 k = 0.1023 0.5000-0.0000 ( 4128 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4928 -24.4928 -24.4924 -24.4924 -16.8451 -16.8451 -16.8443 -16.8443 -16.7401 -16.7401 -16.7380 -16.7380 -1.4577 -1.4577 -1.4570 -1.4570 3.3506 3.3506 3.3734 3.3734 5.6653 5.6653 5.6933 5.6933 8.6910 8.6910 8.7091 8.7091 9.0993 9.0993 9.1031 9.1031 10.1970 10.1970 10.2013 10.2013 10.8031 10.8031 10.8932 10.8932 13.6764 13.6764 13.8318 13.8318 14.5828 14.5828 14.7244 14.7244 k = 0.1136 0.5000-0.0000 ( 4132 PWs) bands (ev): -50.1663 -50.1663 -50.1663 -50.1663 -24.4932 -24.4932 -24.4927 -24.4927 -16.8450 -16.8450 -16.8441 -16.8441 -16.7420 -16.7420 -16.7396 -16.7396 -1.4525 -1.4525 -1.4517 -1.4517 3.3747 3.3747 3.3999 3.3999 5.6773 5.6773 5.7075 5.7075 8.6491 8.6491 8.6746 8.6746 9.0886 9.0886 9.0902 9.0902 10.1898 10.1898 10.1959 10.1959 10.6629 10.6629 10.7539 10.7539 13.7639 13.7639 13.9207 13.9207 14.5964 14.5964 14.7412 14.7412 k = 0.1250 0.5000-0.0000 ( 4132 PWs) bands (ev): -50.1662 -50.1662 -50.1662 -50.1662 -24.4936 -24.4936 -24.4931 -24.4931 -16.8449 -16.8449 -16.8439 -16.8439 -16.7439 -16.7439 -16.7414 -16.7414 -1.4468 -1.4468 -1.4460 -1.4460 3.4014 3.4014 3.4289 3.4289 5.6904 5.6904 5.7225 5.7225 8.6049 8.6049 8.6386 8.6386 9.0722 9.0722 9.0799 9.0799 10.1791 10.1791 10.1862 10.1862 10.5256 10.5256 10.6165 10.6165 13.8439 13.8439 13.9987 13.9987 14.6145 14.6145 14.7601 14.7601 k = 0.1364 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4940 -24.4940 -24.4935 -24.4935 -16.8448 -16.8448 -16.8438 -16.8438 -16.7460 -16.7460 -16.7432 -16.7432 -1.4406 -1.4406 -1.4398 -1.4398 3.4308 3.4308 3.4605 3.4605 5.7043 5.7043 5.7381 5.7381 8.5591 8.5591 8.6012 8.6012 9.0539 9.0539 9.0682 9.0682 10.1613 10.1613 10.1651 10.1651 10.3991 10.3991 10.4853 10.4853 13.9153 13.9153 14.0644 14.0644 14.6370 14.6370 14.7815 14.7815 k = 0.1477 0.5000-0.0000 ( 4136 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4944 -24.4944 -24.4939 -24.4939 -16.8447 -16.8447 -16.8437 -16.8437 -16.7481 -16.7481 -16.7452 -16.7452 -1.4341 -1.4341 -1.4332 -1.4332 3.4627 3.4627 3.4946 3.4946 5.7190 5.7190 5.7542 5.7542 8.5121 8.5121 8.5630 8.5630 9.0334 9.0334 9.0549 9.0549 10.1118 10.1118 10.1267 10.1267 10.3046 10.3046 10.3705 10.3705 13.9775 13.9775 14.1174 14.1174 14.6639 14.6639 14.8052 14.8052 k = 0.1591 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1660 -50.1660 -50.1660 -50.1660 -24.4950 -24.4950 -24.4944 -24.4944 -16.8448 -16.8448 -16.8437 -16.8437 -16.7503 -16.7503 -16.7473 -16.7473 -1.4271 -1.4271 -1.4262 -1.4262 3.4971 3.4971 3.5311 3.5311 5.7343 5.7343 5.7705 5.7705 8.4644 8.4644 8.5242 8.5242 9.0107 9.0107 9.0398 9.0398 10.0097 10.0097 10.0579 10.0579 10.2594 10.2594 10.2906 10.2906 14.0307 14.0307 14.1585 14.1585 14.6941 14.6941 14.8299 14.8299 k = 0.1705 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1659 -50.1659 -50.1659 -50.1659 -24.4955 -24.4955 -24.4949 -24.4949 -16.8448 -16.8448 -16.8436 -16.8436 -16.7526 -16.7526 -16.7494 -16.7494 -1.4198 -1.4198 -1.4188 -1.4188 3.5340 3.5340 3.5700 3.5700 5.7501 5.7501 5.7869 5.7869 8.4165 8.4165 8.4853 8.4853 8.9856 8.9856 9.0226 9.0226 9.8816 9.8816 9.9521 9.9521 10.2413 10.2413 10.2488 10.2488 14.0759 14.0759 14.1896 14.1896 14.7263 14.7263 14.8542 14.8542 k = 0.1818 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1658 -50.1658 -50.1658 -50.1658 -24.4960 -24.4960 -24.4954 -24.4954 -16.8448 -16.8448 -16.8436 -16.8436 -16.7548 -16.7548 -16.7515 -16.7515 -1.4121 -1.4121 -1.4112 -1.4112 3.5734 3.5734 3.6113 3.6113 5.7661 5.7661 5.8032 5.8032 8.3688 8.3688 8.4466 8.4466 8.9577 8.9577 9.0029 9.0029 9.7459 9.7459 9.8281 9.8281 10.2271 10.2271 10.2326 10.2326 14.1147 14.1147 14.2131 14.2131 14.7588 14.7588 14.8769 14.8769 k = 0.1932 0.5000-0.0000 ( 4142 PWs) bands (ev): -50.1657 -50.1657 -50.1657 -50.1657 -24.4964 -24.4964 -24.4958 -24.4958 -16.8449 -16.8449 -16.8437 -16.8437 -16.7570 -16.7570 -16.7537 -16.7537 -1.4042 -1.4042 -1.4032 -1.4032 3.6153 3.6153 3.6550 3.6550 5.7823 5.7823 5.8192 5.8192 8.3216 8.3216 8.4084 8.4084 8.9264 8.9264 8.9800 8.9800 9.6094 9.6094 9.6988 9.6988 10.2137 10.2137 10.2275 10.2275 14.1487 14.1487 14.2318 14.2318 14.7904 14.7904 14.8977 14.8977 k = 0.2045 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1656 -50.1656 -50.1655 -50.1655 -24.4969 -24.4969 -24.4963 -24.4963 -16.8451 -16.8451 -16.8438 -16.8438 -16.7592 -16.7592 -16.7558 -16.7558 -1.3960 -1.3960 -1.3950 -1.3950 3.6595 3.6595 3.7010 3.7010 5.7983 5.7983 5.8347 5.8347 8.2754 8.2754 8.3711 8.3711 8.8908 8.8908 8.9526 8.9526 9.4755 9.4755 9.5701 9.5701 10.2039 10.2039 10.2241 10.2241 14.1798 14.1798 14.2477 14.2477 14.8200 14.8200 14.9168 14.9168 k = 0.2159 0.5000-0.0000 ( 4130 PWs) bands (ev): -50.1654 -50.1654 -50.1654 -50.1654 -24.4974 -24.4974 -24.4968 -24.4968 -16.8453 -16.8453 -16.8440 -16.8440 -16.7614 -16.7614 -16.7579 -16.7579 -1.3877 -1.3877 -1.3867 -1.3867 3.7060 3.7060 3.7492 3.7492 5.8141 5.8141 5.8496 5.8496 8.2304 8.2304 8.3347 8.3347 8.8495 8.8495 8.9183 8.9183 9.3477 9.3477 9.4454 9.4454 10.1962 10.1962 10.2218 10.2218 14.2094 14.2094 14.2627 14.2627 14.8476 14.8476 14.9346 14.9346 k = 0.2273 0.5000-0.0000 ( 4130 PWs) bands (ev): -50.1653 -50.1653 -50.1653 -50.1653 -24.4980 -24.4980 -24.4973 -24.4973 -16.8457 -16.8457 -16.8444 -16.8444 -16.7635 -16.7635 -16.7599 -16.7599 -1.3791 -1.3791 -1.3781 -1.3781 3.7549 3.7549 3.7996 3.7996 5.8295 5.8295 5.8637 5.8637 8.1869 8.1869 8.2996 8.2996 8.8006 8.8006 8.8729 8.8729 9.2308 9.2308 9.3278 9.3278 10.1897 10.1897 10.2202 10.2202 14.2391 14.2391 14.2784 14.2784 14.8732 14.8732 14.9519 14.9519 k = 0.2386 0.5000-0.0000 ( 4130 PWs) bands (ev): -50.1652 -50.1652 -50.1652 -50.1652 -24.4985 -24.4985 -24.4979 -24.4979 -16.8461 -16.8461 -16.8448 -16.8448 -16.7654 -16.7654 -16.7619 -16.7619 -1.3704 -1.3704 -1.3694 -1.3694 3.8060 3.8060 3.8522 3.8522 5.8442 5.8442 5.8769 5.8769 8.1452 8.1452 8.2659 8.2659 8.7416 8.7416 8.8100 8.8100 9.1316 9.1316 9.2206 9.2206 10.1841 10.1841 10.2190 10.2190 14.2697 14.2697 14.2957 14.2957 14.8975 14.8975 14.9690 14.9690 k = 0.2500 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1651 -50.1651 -50.1651 -50.1651 -24.4991 -24.4991 -24.4984 -24.4984 -16.8467 -16.8467 -16.8454 -16.8454 -16.7674 -16.7674 -16.7639 -16.7639 -1.3617 -1.3617 -1.3607 -1.3607 3.8593 3.8593 3.9068 3.9068 5.8582 5.8582 5.8889 5.8889 8.1055 8.1055 8.2336 8.2336 8.6702 8.6702 8.7252 8.7252 9.0551 9.0551 9.1268 9.1268 10.1794 10.1794 10.2183 10.2183 14.3023 14.3023 14.3156 14.3156 14.9210 14.9210 14.9864 14.9864 k = 0.2614 0.5000-0.0000 ( 4130 PWs) bands (ev): -50.1650 -50.1650 -50.1650 -50.1650 -24.4996 -24.4996 -24.4990 -24.4990 -16.8473 -16.8473 -16.8461 -16.8461 -16.7691 -16.7691 -16.7657 -16.7657 -1.3529 -1.3529 -1.3519 -1.3519 3.9148 3.9148 3.9634 3.9634 5.8713 5.8713 5.8998 5.8998 8.0677 8.0677 8.2025 8.2025 8.5855 8.5855 8.6213 8.6213 8.9989 8.9989 9.0478 9.0478 10.1754 10.1754 10.2179 10.2179 14.3374 14.3374 14.3385 14.3385 14.9441 14.9441 15.0044 15.0044 k = 0.2727 0.5000-0.0000 ( 4134 PWs) bands (ev): -50.1649 -50.1649 -50.1649 -50.1649 -24.5002 -24.5002 -24.4995 -24.4995 -16.8480 -16.8480 -16.8469 -16.8469 -16.7707 -16.7707 -16.7674 -16.7674 -1.3441 -1.3441 -1.3432 -1.3432 3.9722 3.9722 4.0220 4.0220 5.8834 5.8834 5.9094 5.9094 8.0319 8.0319 8.1723 8.1723 8.4895 8.4895 8.5058 8.5058 8.9561 8.9561 8.9825 8.9825 10.1720 10.1720 10.2179 10.2179 14.3650 14.3650 14.3756 14.3756 14.9673 14.9673 15.0232 15.0232 k = 0.2841 0.5000-0.0000 ( 4138 PWs) bands (ev): -50.1648 -50.1648 -50.1648 -50.1648 -24.5008 -24.5008 -24.5001 -24.5001 -16.8489 -16.8489 -16.8478 -16.8478 -16.7722 -16.7722 -16.7690 -16.7690 -1.3354 -1.3354 -1.3344 -1.3344 4.0317 4.0317 4.0823 4.0823 5.8942 5.8942 5.9176 5.9176 7.9976 7.9976 8.1414 8.1414 8.3855 8.3855 8.3868 8.3868 8.9208 8.9208 8.9282 8.9282 10.1695 10.1695 10.2181 10.2181 14.3953 14.3953 14.4173 14.4173 14.9908 14.9908 15.0429 15.0429 k = 0.2955 0.5000-0.0000 ( 4136 PWs) bands (ev): -50.1647 -50.1647 -50.1647 -50.1647 -24.5013 -24.5013 -24.5006 -24.5006 -16.8498 -16.8498 -16.8489 -16.8489 -16.7735 -16.7735 -16.7704 -16.7704 -1.3267 -1.3267 -1.3258 -1.3258 4.0930 4.0930 4.1444 4.1444 5.9039 5.9039 5.9246 5.9246 7.9635 7.9635 8.1061 8.1061 8.2652 8.2652 8.2845 8.2845 8.8821 8.8821 8.8898 8.8898 10.1676 10.1676 10.2186 10.2186 14.4296 14.4296 14.4628 14.4628 15.0149 15.0149 15.0636 15.0636 k = 0.3068 0.5000-0.0000 ( 4136 PWs) bands (ev): -50.1646 -50.1646 -50.1646 -50.1646 -24.5018 -24.5018 -24.5012 -24.5012 -16.8508 -16.8508 -16.8500 -16.8500 -16.7747 -16.7747 -16.7718 -16.7718 -1.3182 -1.3182 -1.3174 -1.3174 4.1561 4.1561 4.2081 4.2081 5.9123 5.9123 5.9301 5.9301 7.9265 7.9265 8.0547 8.0547 8.1502 8.1502 8.1967 8.1967 8.8418 8.8418 8.8614 8.8614 10.1664 10.1664 10.2193 10.2193 14.4680 14.4680 14.5121 14.5121 15.0397 15.0397 15.0852 15.0852 k = 0.3182 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1645 -50.1645 -50.1645 -50.1645 -24.5024 -24.5024 -24.5017 -24.5017 -16.8520 -16.8520 -16.8512 -16.8512 -16.7758 -16.7758 -16.7730 -16.7730 -1.3099 -1.3099 -1.3091 -1.3091 4.2207 4.2207 4.2733 4.2733 5.9194 5.9194 5.9344 5.9344 7.8776 7.8776 7.9726 7.9726 8.0508 8.0508 8.1400 8.1400 8.8058 8.8058 8.8347 8.8347 10.1660 10.1660 10.2201 10.2201 14.5106 14.5106 14.5654 14.5654 15.0651 15.0651 15.1079 15.1079 k = 0.3295 0.5000-0.0000 ( 4152 PWs) bands (ev): -50.1644 -50.1644 -50.1644 -50.1644 -24.5029 -24.5029 -24.5023 -24.5023 -16.8531 -16.8531 -16.8525 -16.8525 -16.7767 -16.7767 -16.7741 -16.7741 -1.3018 -1.3018 -1.3011 -1.3011 4.2869 4.2869 4.3397 4.3397 5.9252 5.9252 5.9374 5.9374 7.8025 7.8025 7.8683 7.8683 7.9820 7.9820 8.1070 8.1070 8.7730 8.7730 8.8093 8.8093 10.1663 10.1663 10.2211 10.2211 14.5573 14.5573 14.6228 14.6228 15.0912 15.0912 15.1314 15.1314 k = 0.3409 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1643 -50.1643 -50.1643 -50.1643 -24.5033 -24.5033 -24.5027 -24.5027 -16.8543 -16.8543 -16.8538 -16.8538 -16.7774 -16.7774 -16.7750 -16.7750 -1.2940 -1.2940 -1.2933 -1.2933 4.3544 4.3544 4.4072 4.4072 5.9298 5.9298 5.9393 5.9393 7.7027 7.7027 7.7561 7.7561 7.9429 7.9429 8.0843 8.0843 8.7431 8.7431 8.7849 8.7849 10.1673 10.1673 10.2222 10.2222 14.6079 14.6079 14.6840 14.6840 15.1180 15.1180 15.1558 15.1558 k = 0.3523 0.5000-0.0000 ( 4156 PWs) bands (ev): -50.1642 -50.1642 -50.1642 -50.1642 -24.5038 -24.5038 -24.5033 -24.5033 -16.8556 -16.8556 -16.8551 -16.8551 -16.7781 -16.7781 -16.7758 -16.7758 -1.2866 -1.2866 -1.2859 -1.2859 4.4229 4.4229 4.4755 4.4755 5.9333 5.9333 5.9402 5.9402 7.5926 7.5926 7.6422 7.6422 7.9193 7.9193 8.0663 8.0663 8.7156 8.7156 8.7615 8.7615 10.1689 10.1689 10.2233 10.2233 14.6623 14.6623 14.7490 14.7490 15.1453 15.1453 15.1809 15.1809 k = 0.3636 0.5000-0.0000 ( 4164 PWs) bands (ev): -50.1641 -50.1641 -50.1641 -50.1641 -24.5043 -24.5043 -24.5038 -24.5038 -16.8569 -16.8569 -16.8565 -16.8565 -16.7786 -16.7786 -16.7765 -16.7765 -1.2794 -1.2794 -1.2788 -1.2788 4.4922 4.4922 4.5444 4.5444 5.9357 5.9357 5.9402 5.9402 7.4804 7.4804 7.5288 7.5288 7.9035 7.9035 8.0510 8.0510 8.6904 8.6904 8.7391 8.7391 10.1711 10.1711 10.2244 10.2244 14.7203 14.7203 14.8172 14.8172 15.1732 15.1732 15.2066 15.2066 k = 0.3750 0.5000-0.0000 ( 4160 PWs) bands (ev): -50.1640 -50.1640 -50.1640 -50.1640 -24.5046 -24.5046 -24.5041 -24.5041 -16.8581 -16.8581 -16.8577 -16.8577 -16.7790 -16.7790 -16.7771 -16.7771 -1.2727 -1.2727 -1.2722 -1.2722 4.5620 4.5620 4.6135 4.6135 5.9371 5.9371 5.9395 5.9395 7.3694 7.3694 7.4174 7.4174 7.8928 7.8928 8.0375 8.0375 8.6674 8.6674 8.7177 8.7177 10.1739 10.1739 10.2254 10.2254 14.7812 14.7812 14.8882 14.8882 15.2018 15.2018 15.2328 15.2328 k = 0.3864 0.5000-0.0000 ( 4160 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5050 -24.5050 -24.5045 -24.5045 -16.8593 -16.8593 -16.8590 -16.8590 -16.7793 -16.7793 -16.7776 -16.7776 -1.2665 -1.2665 -1.2659 -1.2659 4.6319 4.6319 4.6822 4.6822 5.9378 5.9378 5.9382 5.9382 7.2610 7.2610 7.3089 7.3089 7.8857 7.8857 8.0253 8.0253 8.6467 8.6467 8.6973 8.6973 10.1771 10.1771 10.2263 10.2263 14.8447 14.8447 14.9609 14.9609 15.2315 15.2315 15.2594 15.2594 k = 0.3977 0.5000-0.0000 ( 4152 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5053 -24.5053 -24.5049 -24.5049 -16.8604 -16.8604 -16.8602 -16.8602 -16.7795 -16.7795 -16.7780 -16.7780 -1.2607 -1.2607 -1.2602 -1.2602 4.7013 4.7013 4.7501 4.7501 5.9365 5.9365 5.9378 5.9378 7.1567 7.1567 7.2040 7.2040 7.8816 7.8816 8.0139 8.0139 8.6283 8.6283 8.6780 8.6780 10.1808 10.1808 10.2270 10.2270 14.9099 14.9099 15.0335 15.0335 15.2632 15.2632 15.2865 15.2865 k = 0.4091 0.5000-0.0000 ( 4148 PWs) bands (ev): -50.1638 -50.1638 -50.1638 -50.1638 -24.5055 -24.5055 -24.5052 -24.5052 -16.8614 -16.8614 -16.8613 -16.8613 -16.7797 -16.7797 -16.7783 -16.7783 -1.2554 -1.2554 -1.2550 -1.2550 4.7696 4.7696 4.8163 4.8163 5.9346 5.9346 5.9374 5.9374 7.0573 7.0573 7.1037 7.1037 7.8800 7.8800 8.0031 8.0031 8.6122 8.6122 8.6599 8.6599 10.1847 10.1847 10.2274 10.2274 14.9759 14.9759 15.1030 15.1030 15.2988 15.2988 15.3141 15.3141 k = 0.4205 0.5000-0.0000 ( 4146 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5058 -24.5058 -24.5055 -24.5055 -16.8624 -16.8624 -16.8623 -16.8623 -16.7798 -16.7798 -16.7786 -16.7786 -1.2506 -1.2506 -1.2503 -1.2503 4.8360 4.8360 4.8800 4.8800 5.9326 5.9326 5.9365 5.9365 6.9641 6.9641 7.0087 7.0087 7.8806 7.8806 7.9927 7.9927 8.5986 8.5986 8.6431 8.6431 10.1889 10.1889 10.2275 10.2275 15.0409 15.0409 15.1646 15.1646 15.3418 15.3418 15.3428 15.3428 k = 0.4318 0.5000-0.0000 ( 4154 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5061 -24.5061 -24.5058 -24.5058 -16.8633 -16.8633 -16.8632 -16.8632 -16.7799 -16.7799 -16.7789 -16.7789 -1.2465 -1.2465 -1.2461 -1.2461 4.8994 4.8994 4.9400 4.9400 5.9308 5.9308 5.9355 5.9355 6.8782 6.8782 6.9204 6.9204 7.8830 7.8830 7.9826 7.9826 8.5873 8.5873 8.6277 8.6277 10.1932 10.1932 10.2273 10.2273 15.1030 15.1030 15.2133 15.2133 15.3732 15.3732 15.3945 15.3945 k = 0.4432 0.5000-0.0000 ( 4138 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5061 -24.5061 -24.5059 -24.5059 -16.8640 -16.8640 -16.8640 -16.8640 -16.7799 -16.7799 -16.7791 -16.7791 -1.2429 -1.2429 -1.2426 -1.2426 4.9586 4.9586 4.9948 4.9948 5.9291 5.9291 5.9343 5.9343 6.8014 6.8014 6.8399 6.8399 7.8871 7.8871 7.9726 7.9726 8.5785 8.5785 8.6138 8.6138 10.1976 10.1976 10.2266 10.2266 15.1594 15.1594 15.2484 15.2484 15.4062 15.4062 15.4537 15.4537 k = 0.4545 0.5000-0.0000 ( 4124 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5062 -24.5062 -24.5060 -24.5060 -16.8646 -16.8646 -16.8646 -16.8646 -16.7799 -16.7799 -16.7792 -16.7792 -1.2399 -1.2399 -1.2397 -1.2397 5.0120 5.0120 5.0429 5.0429 5.9279 5.9279 5.9330 5.9330 6.7353 6.7353 6.7689 6.7689 7.8926 7.8926 7.9626 7.9626 8.5721 8.5721 8.6015 8.6015 10.2018 10.2018 10.2256 10.2256 15.2071 15.2071 15.2724 15.2724 15.4421 15.4421 15.5089 15.5089 k = 0.4659 0.5000-0.0000 ( 4128 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5063 -24.5063 -24.5062 -24.5062 -16.8651 -16.8651 -16.8651 -16.8651 -16.7798 -16.7798 -16.7793 -16.7793 -1.2376 -1.2376 -1.2374 -1.2374 5.0576 5.0576 5.0821 5.0821 5.9272 5.9272 5.9317 5.9317 6.6821 6.6821 6.7092 6.7092 7.8992 7.8992 7.9528 7.9528 8.5681 8.5681 8.5908 8.5908 10.2060 10.2060 10.2241 10.2241 15.2445 15.2445 15.2884 15.2884 15.4792 15.4792 15.5476 15.5476 k = 0.4773 0.5000-0.0000 ( 4124 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8655 -16.8655 -16.8655 -16.8655 -16.7798 -16.7798 -16.7795 -16.7795 -1.2359 -1.2359 -1.2358 -1.2358 5.0936 5.0936 5.1107 5.1107 5.9270 5.9270 5.9305 5.9305 6.6437 6.6437 6.6629 6.6629 7.9068 7.9068 7.9430 7.9430 8.5665 8.5665 8.5820 8.5820 10.2099 10.2099 10.2221 10.2221 15.2712 15.2712 15.2977 15.2977 15.5136 15.5136 15.5653 15.5653 k = 0.4886 0.5000-0.0000 ( 4112 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8657 -16.8657 -16.8657 -16.8657 -16.7797 -16.7797 -16.7795 -16.7795 -1.2349 -1.2349 -1.2348 -1.2348 5.1180 5.1180 5.1268 5.1268 5.9274 5.9274 5.9292 5.9292 6.6220 6.6220 6.6320 6.6320 7.9151 7.9151 7.9334 7.9334 8.5672 8.5672 8.5750 8.5750 10.2135 10.2135 10.2197 10.2197 15.2886 15.2886 15.3010 15.3010 15.5409 15.5409 15.5674 15.5674 k = 0.5000 0.5000-0.0000 ( 4100 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5063 -24.5063 -24.5063 -24.5063 -16.8657 -16.8657 -16.8657 -16.8657 -16.7795 -16.7795 -16.7795 -16.7795 -1.2345 -1.2345 -1.2345 -1.2345 5.1293 5.1293 5.1293 5.1293 5.9282 5.9282 5.9282 5.9282 6.6181 6.6181 6.6181 6.6181 7.9241 7.9241 7.9241 7.9241 8.5701 8.5701 8.5701 8.5701 10.2168 10.2168 10.2168 10.2168 15.2982 15.2982 15.2982 15.2982 15.5589 15.5589 15.5589 15.5589 k = 0.5000 0.5000-0.0000 ( 4100 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5063 -24.5063 -24.5063 -24.5063 -16.8657 -16.8657 -16.8657 -16.8657 -16.7795 -16.7795 -16.7795 -16.7795 -1.2345 -1.2345 -1.2345 -1.2345 5.1293 5.1293 5.1293 5.1293 5.9282 5.9282 5.9282 5.9282 6.6181 6.6181 6.6181 6.6181 7.9241 7.9241 7.9241 7.9241 8.5701 8.5701 8.5701 8.5701 10.2168 10.2168 10.2168 10.2168 15.2982 15.2982 15.2982 15.2982 15.5589 15.5589 15.5589 15.5589 k = 0.4919 0.4919-0.0000 ( 4116 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8657 -16.8657 -16.8657 -16.8657 -16.7797 -16.7797 -16.7795 -16.7795 -1.2357 -1.2357 -1.2341 -1.2341 5.1130 5.1130 5.1317 5.1317 5.9270 5.9270 5.9296 5.9296 6.6174 6.6174 6.6367 6.6367 7.9144 7.9144 7.9341 7.9341 8.5671 8.5671 8.5751 8.5751 10.2134 10.2134 10.2198 10.2198 15.2886 15.2886 15.3009 15.3009 15.5368 15.5368 15.5715 15.5715 k = 0.4839 0.4839-0.0000 ( 4124 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8655 -16.8655 -16.8655 -16.8655 -16.7798 -16.7798 -16.7795 -16.7795 -1.2390 -1.2390 -1.2327 -1.2327 5.0695 5.0695 5.1357 5.1357 5.9249 5.9249 5.9328 5.9328 6.6195 6.6195 6.6863 6.6863 7.9018 7.9018 7.9479 7.9479 8.5661 8.5661 8.5825 8.5825 10.2090 10.2090 10.2230 10.2230 15.2707 15.2707 15.2958 15.2958 15.4911 15.4911 15.5911 15.5911 k = 0.4758 0.4758-0.0000 ( 4128 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5064 -24.5064 -24.5062 -24.5062 -16.8652 -16.8652 -16.8651 -16.8651 -16.7799 -16.7799 -16.7793 -16.7793 -1.2446 -1.2446 -1.2305 -1.2305 5.0024 5.0024 5.1422 5.1422 5.9220 5.9220 5.9378 5.9378 6.6232 6.6232 6.7631 6.7631 7.8844 7.8844 7.9673 7.9673 8.5667 8.5667 8.5923 8.5923 10.2034 10.2034 10.2269 10.2269 15.2399 15.2399 15.2785 15.2785 15.4340 15.4340 15.6181 15.6181 k = 0.4677 0.4677-0.0000 ( 4132 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5063 -24.5063 -24.5060 -24.5060 -16.8646 -16.8646 -16.8646 -16.8646 -16.7799 -16.7799 -16.7792 -16.7792 -1.2524 -1.2524 -1.2274 -1.2274 4.9174 4.9174 5.1514 5.1514 5.9189 5.9189 5.9447 5.9447 6.6284 6.6284 6.8615 6.8615 7.8614 7.8614 7.9928 7.9928 8.5688 8.5688 8.6046 8.6046 10.1965 10.1965 10.2319 10.2319 15.1839 15.1839 15.2466 15.2466 15.3915 15.3915 15.6382 15.6382 k = 0.4597 0.4597-0.0000 ( 4126 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5061 -24.5061 -24.5058 -24.5058 -16.8639 -16.8639 -16.8638 -16.8638 -16.7799 -16.7799 -16.7790 -16.7790 -1.2625 -1.2625 -1.2235 -1.2235 4.8196 4.8196 5.1631 5.1631 5.9158 5.9158 5.9534 5.9534 6.6350 6.6350 6.9759 6.9759 7.8330 7.8330 8.0241 8.0241 8.5722 8.5722 8.6194 8.6194 10.1886 10.1886 10.2379 10.2379 15.0970 15.0970 15.2084 15.2084 15.3698 15.3698 15.6155 15.6155 k = 0.4516 0.4516-0.0000 ( 4124 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5059 -24.5059 -24.5055 -24.5055 -16.8631 -16.8631 -16.8630 -16.8630 -16.7799 -16.7799 -16.7788 -16.7788 -1.2747 -1.2747 -1.2188 -1.2188 4.7130 4.7130 5.1774 5.1774 5.9134 5.9134 5.9638 5.9638 6.6432 6.6432 7.1024 7.1024 7.7995 7.7995 8.0607 8.0607 8.5768 8.5768 8.6366 8.6366 10.1801 10.1801 10.2452 10.2452 14.9932 14.9932 15.1668 15.1668 15.3563 15.3563 15.5613 15.5613 k = 0.4435 0.4435-0.0000 ( 4118 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5057 -24.5057 -24.5052 -24.5052 -16.8621 -16.8621 -16.8619 -16.8619 -16.7800 -16.7800 -16.7785 -16.7785 -1.2891 -1.2891 -1.2133 -1.2133 4.6006 4.6006 5.1943 5.1943 5.9119 5.9119 5.9760 5.9760 6.6529 6.6529 7.2373 7.2373 7.7618 7.7618 8.1019 8.1019 8.5826 8.5826 8.6562 8.6562 10.1713 10.1713 10.2538 10.2538 14.8839 14.8839 15.1214 15.1214 15.3398 15.3398 15.5045 15.5045 k = 0.4355 0.4355-0.0000 ( 4138 PWs) bands (ev): -50.1638 -50.1638 -50.1638 -50.1638 -24.5055 -24.5055 -24.5050 -24.5050 -16.8610 -16.8610 -16.8609 -16.8609 -16.7800 -16.7800 -16.7784 -16.7784 -1.3057 -1.3057 -1.2071 -1.2071 4.4844 4.4844 5.2139 5.2139 5.9118 5.9118 5.9899 5.9899 6.6640 6.6640 7.3771 7.3771 7.7215 7.7215 8.1470 8.1470 8.5896 8.5896 8.6780 8.6780 10.1627 10.1627 10.2637 10.2637 14.7743 14.7743 15.0723 15.0723 15.3097 15.3097 15.4598 15.4598 k = 0.4274 0.4274-0.0000 ( 4146 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5052 -24.5052 -24.5047 -24.5047 -16.8598 -16.8598 -16.8596 -16.8596 -16.7801 -16.7801 -16.7781 -16.7781 -1.3245 -1.3245 -1.2002 -1.2002 4.3661 4.3661 5.2360 5.2360 5.9135 5.9135 6.0057 6.0057 6.6766 6.6766 7.5130 7.5130 7.6864 7.6864 8.1953 8.1953 8.5977 8.5977 8.7020 8.7020 10.1547 10.1547 10.2749 10.2749 14.6677 14.6677 15.0201 15.0201 15.2599 15.2599 15.4341 15.4341 k = 0.4194 0.4194-0.0000 ( 4162 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5050 -24.5050 -24.5044 -24.5044 -16.8584 -16.8584 -16.8582 -16.8582 -16.7801 -16.7801 -16.7779 -16.7779 -1.3453 -1.3453 -1.1928 -1.1928 4.2466 4.2466 5.2606 5.2606 5.9175 5.9175 6.0232 6.0232 6.6905 6.6905 7.5790 7.5790 7.7213 7.7213 8.2461 8.2461 8.6071 8.6071 8.7280 8.7280 10.1478 10.1478 10.2874 10.2874 14.5660 14.5660 14.9654 14.9654 15.1959 15.1959 15.4218 15.4218 k = 0.4113 0.4113-0.0000 ( 4166 PWs) bands (ev): -50.1640 -50.1640 -50.1640 -50.1640 -24.5046 -24.5046 -24.5040 -24.5040 -16.8568 -16.8568 -16.8567 -16.8567 -16.7801 -16.7801 -16.7776 -16.7776 -1.3682 -1.3682 -1.1848 -1.1848 4.1269 4.1269 5.2879 5.2879 5.9240 5.9240 6.0426 6.0426 6.7056 6.7056 7.5446 7.5446 7.8555 7.8555 8.2992 8.2992 8.6179 8.6179 8.7560 8.7560 10.1422 10.1422 10.3013 10.3013 14.4705 14.4705 14.9084 14.9084 15.1254 15.1254 15.4153 15.4153 k = 0.4032 0.4032-0.0000 ( 4158 PWs) bands (ev): -50.1641 -50.1641 -50.1641 -50.1641 -24.5042 -24.5042 -24.5035 -24.5035 -16.8551 -16.8551 -16.8549 -16.8549 -16.7801 -16.7801 -16.7772 -16.7772 -1.3932 -1.3932 -1.1763 -1.1763 4.0074 4.0074 5.3176 5.3176 5.9334 5.9334 6.0637 6.0637 6.7217 6.7217 7.4927 7.4927 8.0047 8.0047 8.3552 8.3552 8.6303 8.6303 8.7859 8.7859 10.1384 10.1384 10.3165 10.3165 14.3826 14.3826 14.8497 14.8497 15.0526 15.0526 15.4100 15.4100 k = 0.3952 0.3952-0.0000 ( 4150 PWs) bands (ev): -50.1642 -50.1642 -50.1642 -50.1642 -24.5037 -24.5037 -24.5029 -24.5029 -16.8532 -16.8532 -16.8530 -16.8530 -16.7800 -16.7800 -16.7767 -16.7767 -1.4201 -1.4201 -1.1675 -1.1675 3.8887 3.8887 5.3500 5.3500 5.9460 5.9460 6.0867 6.0867 6.7385 6.7385 7.4368 7.4368 8.1508 8.1508 8.4171 8.4171 8.6452 8.6452 8.8176 8.8176 10.1366 10.1366 10.3332 10.3332 14.3032 14.3032 14.7893 14.7893 14.9796 14.9796 15.4029 15.4029 k = 0.3871 0.3871-0.0000 ( 4156 PWs) bands (ev): -50.1643 -50.1643 -50.1643 -50.1643 -24.5033 -24.5033 -24.5024 -24.5024 -16.8513 -16.8513 -16.8510 -16.8510 -16.7800 -16.7800 -16.7763 -16.7763 -1.4489 -1.4489 -1.1584 -1.1584 3.7710 3.7710 5.3849 5.3849 5.9620 5.9620 6.1115 6.1115 6.7556 6.7556 7.3796 7.3796 8.2803 8.2803 8.4925 8.4925 8.6649 8.6649 8.8511 8.8511 10.1370 10.1370 10.3512 10.3512 14.2330 14.2330 14.7269 14.7269 14.9082 14.9082 15.3911 15.3911 k = 0.3790 0.3790-0.0000 ( 4152 PWs) bands (ev): -50.1644 -50.1644 -50.1644 -50.1644 -24.5027 -24.5027 -24.5019 -24.5019 -16.8491 -16.8491 -16.8489 -16.8489 -16.7799 -16.7799 -16.7759 -16.7759 -1.4795 -1.4795 -1.1491 -1.1491 3.6548 3.6548 5.4222 5.4222 5.9817 5.9817 6.1380 6.1380 6.7719 6.7719 7.3232 7.3232 8.3768 8.3768 8.5838 8.5838 8.7015 8.7015 8.8869 8.8869 10.1398 10.1398 10.3706 10.3706 14.1726 14.1726 14.6623 14.6623 14.8399 14.8399 15.3711 15.3711 k = 0.3710 0.3710-0.0000 ( 4152 PWs) bands (ev): -50.1645 -50.1645 -50.1645 -50.1645 -24.5022 -24.5022 -24.5013 -24.5013 -16.8469 -16.8469 -16.8467 -16.8467 -16.7799 -16.7799 -16.7754 -16.7754 -1.5120 -1.5120 -1.1397 -1.1397 3.5401 3.5401 5.4621 5.4621 6.0052 6.0052 6.1664 6.1664 6.7864 6.7864 7.2697 7.2697 8.4410 8.4410 8.6477 8.6477 8.7941 8.7941 8.9268 8.9268 10.1452 10.1452 10.3914 10.3914 14.1224 14.1224 14.5950 14.5950 14.7761 14.7761 15.3400 15.3400 k = 0.3629 0.3629-0.0000 ( 4156 PWs) bands (ev): -50.1647 -50.1647 -50.1646 -50.1646 -24.5016 -24.5016 -24.5007 -24.5007 -16.8445 -16.8445 -16.8443 -16.8443 -16.7798 -16.7798 -16.7749 -16.7749 -1.5461 -1.5461 -1.1303 -1.1303 3.4272 3.4272 5.5045 5.5045 6.0326 6.0326 6.1966 6.1966 6.7967 6.7967 7.2217 7.2217 8.4862 8.4862 8.6774 8.6774 8.9161 8.9161 8.9898 8.9898 10.1532 10.1532 10.4135 10.4135 14.0824 14.0824 14.5245 14.5245 14.7184 14.7184 15.2986 15.2986 k = 0.3548 0.3548-0.0000 ( 4152 PWs) bands (ev): -50.1648 -50.1648 -50.1648 -50.1648 -24.5010 -24.5010 -24.5000 -24.5000 -16.8420 -16.8420 -16.8418 -16.8418 -16.7797 -16.7797 -16.7744 -16.7744 -1.5818 -1.5818 -1.1210 -1.1210 3.3162 3.3162 5.5494 5.5494 6.0639 6.0639 6.2287 6.2287 6.8000 6.8000 7.1829 7.1829 8.5202 8.5202 8.6984 8.6984 8.9796 8.9796 9.1291 9.1291 10.1641 10.1641 10.4371 10.4371 14.0520 14.0520 14.4509 14.4509 14.6681 14.6681 15.2493 15.2493 k = 0.3468 0.3468-0.0000 ( 4161 PWs) bands (ev): -50.1649 -50.1649 -50.1649 -50.1649 -24.5005 -24.5005 -24.4994 -24.4994 -16.8395 -16.8395 -16.8392 -16.8392 -16.7797 -16.7797 -16.7739 -16.7739 -1.6191 -1.6191 -1.1119 -1.1119 3.2072 3.2072 5.5967 5.5967 6.0992 6.0992 6.2625 6.2625 6.7926 6.7926 7.1574 7.1574 8.5461 8.5461 8.7171 8.7171 9.0219 9.0219 9.2973 9.2973 10.1779 10.1779 10.4621 10.4621 14.0303 14.0303 14.3748 14.3748 14.6261 14.6261 15.1943 15.1943 k = 0.3387 0.3387-0.0000 ( 4159 PWs) bands (ev): -50.1651 -50.1651 -50.1650 -50.1650 -24.4998 -24.4998 -24.4987 -24.4987 -16.8368 -16.8368 -16.8365 -16.8365 -16.7796 -16.7796 -16.7733 -16.7733 -1.6578 -1.6578 -1.1030 -1.1030 3.1003 3.1003 5.6464 5.6464 6.1385 6.1385 6.2981 6.2981 6.7725 6.7725 7.1477 7.1477 8.5654 8.5654 8.7347 8.7347 9.0612 9.0612 9.4726 9.4726 10.1948 10.1948 10.4884 10.4884 14.0149 14.0149 14.2972 14.2972 14.5941 14.5941 15.1349 15.1349 k = 0.3306 0.3306-0.0000 ( 4159 PWs) bands (ev): -50.1652 -50.1652 -50.1652 -50.1652 -24.4992 -24.4992 -24.4979 -24.4979 -16.8340 -16.8340 -16.8337 -16.8337 -16.7795 -16.7795 -16.7727 -16.7727 -1.6977 -1.6977 -1.0946 -1.0946 2.9957 2.9957 5.6986 5.6986 6.1816 6.1816 6.3356 6.3356 6.7407 6.7407 7.1535 7.1535 8.5784 8.5784 8.7519 8.7519 9.0996 9.0996 9.6513 9.6513 10.2149 10.2149 10.5161 10.5161 14.0023 14.0023 14.2204 14.2204 14.5738 14.5738 15.0715 15.0715 k = 0.3226 0.3226-0.0000 ( 4175 PWs) bands (ev): -50.1653 -50.1653 -50.1653 -50.1653 -24.4986 -24.4986 -24.4973 -24.4973 -16.8312 -16.8312 -16.8308 -16.8308 -16.7794 -16.7794 -16.7721 -16.7721 -1.7389 -1.7389 -1.0866 -1.0866 2.8933 2.8933 5.7531 5.7531 6.2284 6.2284 6.3748 6.3748 6.7005 6.7005 7.1718 7.1718 8.5855 8.5855 8.7690 8.7690 9.1371 9.1371 9.8321 9.8321 10.2382 10.2382 10.5452 10.5452 13.9853 13.9853 14.1488 14.1488 14.5675 14.5675 15.0043 15.0043 k = 0.3145 0.3145-0.0000 ( 4173 PWs) bands (ev): -50.1655 -50.1655 -50.1655 -50.1655 -24.4979 -24.4979 -24.4965 -24.4965 -16.8282 -16.8282 -16.8278 -16.8278 -16.7793 -16.7793 -16.7715 -16.7715 -1.7812 -1.7812 -1.0792 -1.0792 2.7933 2.7933 5.8100 5.8100 6.2787 6.2787 6.4159 6.4159 6.6555 6.6555 7.1995 7.1995 8.5869 8.5869 8.7866 8.7866 9.1735 9.1735 10.0141 10.0141 10.2648 10.2648 10.5758 10.5758 13.9510 13.9510 14.0928 14.0928 14.5776 14.5776 14.9334 14.9334 k = 0.3065 0.3065-0.0000 ( 4175 PWs) bands (ev): -50.1656 -50.1656 -50.1656 -50.1656 -24.4972 -24.4972 -24.4957 -24.4957 -16.8252 -16.8252 -16.8247 -16.8247 -16.7791 -16.7791 -16.7709 -16.7709 -1.8244 -1.8244 -1.0725 -1.0725 2.6957 2.6957 5.8692 5.8692 6.3320 6.3320 6.4588 6.4588 6.6086 6.6086 7.2341 7.2341 8.5829 8.5829 8.8050 8.8050 9.2085 9.2085 10.1965 10.1965 10.2950 10.2950 10.6081 10.6081 13.8904 13.8904 14.0592 14.0592 14.6057 14.6057 14.8588 14.8588 k = 0.2984 0.2984-0.0000 ( 4183 PWs) bands (ev): -50.1658 -50.1658 -50.1658 -50.1658 -24.4964 -24.4964 -24.4950 -24.4950 -16.8221 -16.8221 -16.8216 -16.8216 -16.7790 -16.7790 -16.7703 -16.7703 -1.8684 -1.8684 -1.0666 -1.0666 2.6005 2.6005 5.9306 5.9306 6.3878 6.3878 6.5034 6.5034 6.5622 6.5622 7.2740 7.2740 8.5740 8.5740 8.8245 8.8245 9.2419 9.2419 10.3280 10.3280 10.3788 10.3788 10.6427 10.6427 13.8118 13.8118 14.0386 14.0386 14.6519 14.6519 14.7809 14.7809 k = 0.2903 0.2903-0.0000 ( 4171 PWs) bands (ev): -50.1660 -50.1660 -50.1659 -50.1659 -24.4956 -24.4956 -24.4941 -24.4941 -16.8188 -16.8188 -16.8183 -16.8183 -16.7788 -16.7788 -16.7695 -16.7695 -1.9132 -1.9132 -1.0615 -1.0615 2.5078 2.5078 5.9943 5.9943 6.4435 6.4435 6.5193 6.5193 6.5503 6.5503 7.3184 7.3184 8.5611 8.5611 8.8452 8.8452 9.2731 9.2731 10.3652 10.3652 10.5544 10.5544 10.6845 10.6845 13.7243 13.7243 14.0220 14.0220 14.6917 14.6917 14.7228 14.7228 k = 0.2823 0.2823-0.0000 ( 4171 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4948 -24.4948 -24.4932 -24.4932 -16.8155 -16.8155 -16.8149 -16.8149 -16.7786 -16.7786 -16.7688 -16.7688 -1.9586 -1.9586 -1.0572 -1.0572 2.4176 2.4176 6.0600 6.0600 6.4614 6.4614 6.5186 6.5186 6.5987 6.5987 7.3665 7.3665 8.5450 8.5450 8.8672 8.8672 9.3020 9.3020 10.4057 10.4057 10.6791 10.6791 10.7778 10.7778 13.6321 13.6321 14.0060 14.0060 14.6112 14.6112 14.7961 14.7961 k = 0.2742 0.2742-0.0000 ( 4167 PWs) bands (ev): -50.1663 -50.1663 -50.1662 -50.1662 -24.4940 -24.4940 -24.4924 -24.4924 -16.8122 -16.8122 -16.8116 -16.8116 -16.7783 -16.7783 -16.7681 -16.7681 -2.0044 -2.0044 -1.0540 -1.0540 2.3299 2.3299 6.1277 6.1277 6.4260 6.4260 6.5753 6.5753 6.6491 6.6491 7.4180 7.4180 8.5271 8.5271 8.8904 8.8904 9.3282 9.3282 10.4494 10.4494 10.7291 10.7291 10.9458 10.9458 13.5366 13.5366 13.9903 13.9903 14.5232 14.5232 14.8832 14.8832 k = 0.2661 0.2661-0.0000 ( 4165 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4932 -24.4932 -24.4915 -24.4915 -16.8089 -16.8089 -16.8081 -16.8081 -16.7781 -16.7781 -16.7674 -16.7674 -2.0505 -2.0505 -1.0517 -1.0517 2.2448 2.2448 6.1967 6.1967 6.3902 6.3902 6.6368 6.6368 6.7017 6.7017 7.4726 7.4726 8.5086 8.5086 8.9150 8.9150 9.3515 9.3515 10.4962 10.4962 10.7680 10.7680 11.1240 11.1240 13.4384 13.4384 13.9750 13.9750 14.4332 14.4332 14.9638 14.9638 k = 0.2581 0.2581-0.0000 ( 4165 PWs) bands (ev): -50.1666 -50.1666 -50.1665 -50.1665 -24.4924 -24.4924 -24.4906 -24.4906 -16.8055 -16.8055 -16.8047 -16.8047 -16.7778 -16.7778 -16.7667 -16.7667 -2.0969 -2.0969 -1.0506 -1.0506 2.1622 2.1622 6.2646 6.2646 6.3605 6.3605 6.6981 6.6981 6.7564 6.7564 7.5302 7.5302 8.4910 8.4910 8.9408 8.9408 9.3717 9.3717 10.5459 10.5459 10.8053 10.8053 11.3022 11.3022 13.3379 13.3379 13.9600 13.9600 14.3426 14.3426 14.9862 14.9862 k = 0.2500 0.2500-0.0000 ( 4169 PWs) bands (ev): -50.1668 -50.1668 -50.1667 -50.1667 -24.4917 -24.4917 -24.4898 -24.4898 -16.8022 -16.8022 -16.8012 -16.8012 -16.7775 -16.7775 -16.7660 -16.7660 -2.1433 -2.1433 -1.0505 -1.0505 2.0822 2.0822 6.3037 6.3037 6.3652 6.3652 6.7579 6.7579 6.8133 6.8133 7.5905 7.5905 8.4759 8.4759 8.9678 8.9678 9.3886 9.3886 10.5980 10.5980 10.8422 10.8422 11.4780 11.4780 13.2352 13.2352 13.9443 13.9443 14.2542 14.2542 14.9419 14.9419 k = 0.2419 0.2419-0.0000 ( 4169 PWs) bands (ev): -50.1669 -50.1669 -50.1668 -50.1668 -24.4909 -24.4909 -24.4889 -24.4889 -16.7988 -16.7988 -16.7977 -16.7977 -16.7772 -16.7772 -16.7652 -16.7652 -2.1897 -2.1897 -1.0515 -1.0515 2.0047 2.0047 6.2884 6.2884 6.4302 6.4302 6.8150 6.8150 6.8719 6.8719 7.6535 7.6535 8.4650 8.4650 8.9960 8.9960 9.4022 9.4022 10.6522 10.6522 10.8789 10.8789 11.6501 11.6501 13.1304 13.1304 13.9247 13.9247 14.1727 14.1727 14.8767 14.8767 k = 0.2339 0.2339-0.0000 ( 4177 PWs) bands (ev): -50.1671 -50.1671 -50.1670 -50.1670 -24.4901 -24.4901 -24.4881 -24.4881 -16.7955 -16.7955 -16.7942 -16.7942 -16.7768 -16.7768 -16.7645 -16.7645 -2.2359 -2.2359 -1.0536 -1.0536 1.9299 1.9299 6.2680 6.2680 6.5064 6.5064 6.8685 6.8685 6.9319 6.9319 7.7191 7.7191 8.4602 8.4602 9.0253 9.0253 9.4125 9.4125 10.7079 10.7079 10.9152 10.9152 11.8173 11.8173 13.0238 13.0238 13.8936 13.8936 14.1075 14.1075 14.8059 14.8059 k = 0.2258 0.2258-0.0000 ( 4179 PWs) bands (ev): -50.1673 -50.1673 -50.1672 -50.1672 -24.4893 -24.4893 -24.4873 -24.4873 -16.7923 -16.7923 -16.7907 -16.7907 -16.7763 -16.7763 -16.7638 -16.7638 -2.2817 -2.2817 -1.0568 -1.0568 1.8576 1.8576 6.2505 6.2505 6.5859 6.5859 6.9172 6.9172 6.9928 6.9928 7.7872 7.7872 8.4633 8.4633 9.0558 9.0558 9.4193 9.4193 10.7646 10.7646 10.9510 10.9510 11.9781 11.9781 12.9156 12.9156 13.8417 13.8417 14.0694 14.0694 14.7334 14.7334 k = 0.2177 0.2177-0.0000 ( 4191 PWs) bands (ev): -50.1674 -50.1674 -50.1673 -50.1673 -24.4886 -24.4886 -24.4865 -24.4865 -16.7893 -16.7893 -16.7873 -16.7873 -16.7756 -16.7756 -16.7630 -16.7630 -2.3272 -2.3272 -1.0610 -1.0610 1.7880 1.7880 6.2369 6.2369 6.6675 6.6675 6.9597 6.9597 7.0547 7.0547 7.8578 7.8578 8.4760 8.4760 9.0872 9.0872 9.4228 9.4228 10.8216 10.8216 10.9861 10.9861 12.1308 12.1308 12.8060 12.8060 13.7708 13.7708 14.0581 14.0581 14.6610 14.6610 k = 0.2097 0.2097-0.0000 ( 4183 PWs) bands (ev): -50.1676 -50.1676 -50.1675 -50.1675 -24.4877 -24.4877 -24.4857 -24.4857 -16.7864 -16.7864 -16.7838 -16.7838 -16.7747 -16.7747 -16.7623 -16.7623 -2.3721 -2.3721 -1.0663 -1.0663 1.7209 1.7209 6.2275 6.2275 6.7510 6.7510 6.9944 6.9944 7.1178 7.1178 7.9307 7.9307 8.4997 8.4997 9.1193 9.1193 9.4233 9.4233 10.8780 10.8780 11.0202 11.0202 12.2727 12.2727 12.6963 12.6963 13.6905 13.6905 14.0654 14.0654 14.5895 14.5895 k = 0.2016 0.2016-0.0000 ( 4177 PWs) bands (ev): -50.1677 -50.1677 -50.1676 -50.1676 -24.4869 -24.4869 -24.4848 -24.4848 -16.7838 -16.7838 -16.7803 -16.7803 -16.7735 -16.7735 -16.7615 -16.7615 -2.4163 -2.4163 -1.0726 -1.0726 1.6565 1.6565 6.2224 6.2224 6.8362 6.8362 7.0202 7.0202 7.1824 7.1824 8.0060 8.0060 8.5353 8.5353 9.1519 9.1519 9.4210 9.4210 10.9331 10.9331 11.0531 11.0531 12.3968 12.3968 12.5922 12.5922 13.6078 13.6078 14.0853 14.0853 14.5201 14.5201 k = 0.1935 0.1935-0.0000 ( 4173 PWs) bands (ev): -50.1679 -50.1679 -50.1678 -50.1678 -24.4861 -24.4861 -24.4839 -24.4839 -16.7818 -16.7818 -16.7769 -16.7769 -16.7717 -16.7717 -16.7607 -16.7607 -2.4598 -2.4598 -1.0798 -1.0798 1.5946 1.5946 6.2216 6.2216 6.9228 6.9228 7.0369 7.0369 7.2487 7.2487 8.0835 8.0835 8.5833 8.5833 9.1842 9.1842 9.4167 9.4167 10.9857 10.9857 11.0848 11.0848 12.4296 12.4296 12.5655 12.5655 13.5265 13.5265 14.1142 14.1142 14.4538 14.4538 k = 0.1855 0.1855-0.0000 ( 4177 PWs) bands (ev): -50.1680 -50.1680 -50.1679 -50.1679 -24.4854 -24.4854 -24.4831 -24.4831 -16.7804 -16.7804 -16.7736 -16.7736 -16.7695 -16.7695 -16.7600 -16.7600 -2.5024 -2.5024 -1.0878 -1.0878 1.5353 1.5353 6.2250 6.2250 7.0102 7.0102 7.0452 7.0452 7.3166 7.3166 8.1631 8.1631 8.6432 8.6432 9.2147 9.2147 9.4120 9.4120 11.0345 11.0345 11.1155 11.1155 12.3319 12.3319 12.6547 12.6547 13.4488 13.4488 14.1489 14.1489 14.3926 14.3926 k = 0.1774 0.1774-0.0000 ( 4165 PWs) bands (ev): -50.1682 -50.1682 -50.1681 -50.1681 -24.4846 -24.4846 -24.4822 -24.4822 -16.7793 -16.7793 -16.7702 -16.7702 -16.7669 -16.7669 -16.7591 -16.7591 -2.5439 -2.5439 -1.0966 -1.0966 1.4786 1.4786 6.2326 6.2326 7.0429 7.0429 7.1011 7.1011 7.3863 7.3863 8.2447 8.2447 8.7142 8.7142 9.2405 9.2405 9.4098 9.4098 11.0776 11.0776 11.1457 11.1457 12.2177 12.2177 12.7447 12.7447 13.3765 13.3765 14.1825 14.1825 14.3416 14.3416 k = 0.1694 0.1694-0.0000 ( 4171 PWs) bands (ev): -50.1683 -50.1683 -50.1682 -50.1682 -24.4839 -24.4839 -24.4814 -24.4814 -16.7785 -16.7785 -16.7670 -16.7670 -16.7642 -16.7642 -16.7583 -16.7583 -2.5844 -2.5844 -1.1061 -1.1061 1.4245 1.4245 6.2443 6.2443 7.0355 7.0355 7.1910 7.1910 7.4575 7.4575 8.3282 8.3282 8.7950 8.7950 9.2566 9.2566 9.4155 9.4155 11.1130 11.1130 11.1765 11.1765 12.1001 12.1001 12.8216 12.8216 13.3114 13.3114 14.1962 14.1962 14.3178 14.3178 k = 0.1613 0.1613-0.0000 ( 4171 PWs) bands (ev): -50.1685 -50.1685 -50.1684 -50.1684 -24.4832 -24.4832 -24.4807 -24.4807 -16.7779 -16.7779 -16.7639 -16.7639 -16.7616 -16.7616 -16.7574 -16.7574 -2.6237 -2.6237 -1.1161 -1.1161 1.3730 1.3730 6.2599 6.2599 7.0219 7.0219 7.2819 7.2819 7.5305 7.5305 8.4134 8.4134 8.8839 8.8839 9.2585 9.2585 9.4337 9.4337 11.1395 11.1395 11.2079 11.2079 11.9809 11.9809 12.8823 12.8823 13.2563 13.2563 14.1724 14.1724 14.3363 14.3363 k = 0.1532 0.1532-0.0000 ( 4169 PWs) bands (ev): -50.1686 -50.1686 -50.1685 -50.1685 -24.4824 -24.4824 -24.4800 -24.4800 -16.7774 -16.7774 -16.7609 -16.7609 -16.7591 -16.7591 -16.7560 -16.7560 -2.6616 -2.6616 -1.1267 -1.1267 1.3240 1.3240 6.2793 6.2793 7.0036 7.0036 7.3732 7.3732 7.6051 7.6051 8.5003 8.5003 8.9790 8.9790 9.2472 9.2472 9.4643 9.4643 11.1579 11.1579 11.2381 11.2381 11.8609 11.8609 12.9230 12.9230 13.2158 13.2158 14.1326 14.1326 14.3727 14.3727 k = 0.1452 0.1452-0.0000 ( 4169 PWs) bands (ev): -50.1687 -50.1687 -50.1686 -50.1686 -24.4817 -24.4817 -24.4793 -24.4793 -16.7770 -16.7770 -16.7586 -16.7586 -16.7569 -16.7569 -16.7540 -16.7540 -2.6982 -2.6982 -1.1375 -1.1375 1.2776 1.2776 6.3021 6.3021 6.9819 6.9819 7.4647 7.4647 7.6815 7.6815 8.5886 8.5886 9.0769 9.0769 9.2281 9.2281 9.5039 9.5039 11.1694 11.1694 11.2651 11.2651 11.7404 11.7404 12.9385 12.9385 13.1962 13.1962 14.0919 14.0919 14.4092 14.4092 k = 0.1371 0.1371-0.0000 ( 4167 PWs) bands (ev): -50.1689 -50.1689 -50.1687 -50.1687 -24.4811 -24.4811 -24.4786 -24.4786 -16.7766 -16.7766 -16.7573 -16.7573 -16.7543 -16.7543 -16.7515 -16.7515 -2.7333 -2.7333 -1.1486 -1.1486 1.2338 1.2338 6.3283 6.3283 6.9577 6.9577 7.5557 7.5557 7.7598 7.7598 8.6780 8.6780 9.1563 9.1563 9.2237 9.2237 9.5500 9.5500 11.1746 11.1746 11.2873 11.2873 11.6203 11.6203 12.9280 12.9280 13.1993 13.1993 14.0543 14.0543 14.4383 14.4383 k = 0.1290 0.1290-0.0000 ( 4173 PWs) bands (ev): -50.1690 -50.1690 -50.1689 -50.1689 -24.4804 -24.4804 -24.4780 -24.4780 -16.7763 -16.7763 -16.7565 -16.7565 -16.7516 -16.7516 -16.7489 -16.7489 -2.7669 -2.7669 -1.1599 -1.1599 1.1925 1.1925 6.3575 6.3575 6.9319 6.9319 7.6458 7.6458 7.8401 7.8401 8.7684 8.7684 9.1482 9.1482 9.3029 9.3029 9.6018 9.6018 11.1741 11.1741 11.3026 11.3026 11.5021 11.5021 12.8992 12.8992 13.2181 13.2181 14.0211 14.0211 14.4434 14.4434 k = 0.1210 0.1210-0.0000 ( 4167 PWs) bands (ev): -50.1691 -50.1691 -50.1690 -50.1690 -24.4798 -24.4798 -24.4773 -24.4773 -16.7760 -16.7760 -16.7558 -16.7558 -16.7489 -16.7489 -16.7463 -16.7463 -2.7988 -2.7988 -1.1711 -1.1711 1.1537 1.1537 6.3894 6.3894 6.9054 6.9054 7.7343 7.7343 7.9227 7.9227 8.8594 8.8594 9.1136 9.1136 9.4033 9.4033 9.6598 9.6598 11.1679 11.1679 11.3010 11.3010 11.3963 11.3963 12.8606 12.8606 13.2446 13.2446 13.9927 13.9927 14.3569 14.3569 k = 0.1129 0.1129-0.0000 ( 4171 PWs) bands (ev): -50.1692 -50.1692 -50.1691 -50.1691 -24.4793 -24.4793 -24.4767 -24.4767 -16.7758 -16.7758 -16.7552 -16.7552 -16.7464 -16.7464 -16.7438 -16.7438 -2.8290 -2.8290 -1.1823 -1.1823 1.1175 1.1175 6.4237 6.4237 6.8786 6.8786 7.8203 7.8203 8.0077 8.0077 8.9504 8.9504 9.0738 9.0738 9.5014 9.5014 9.7256 9.7256 11.1556 11.1556 11.2326 11.2326 11.3537 11.3537 12.8168 12.8168 13.2747 13.2747 13.9686 13.9686 14.2281 14.2281 k = 0.1048 0.1048-0.0000 ( 4181 PWs) bands (ev): -50.1693 -50.1693 -50.1692 -50.1692 -24.4788 -24.4788 -24.4762 -24.4762 -16.7756 -16.7756 -16.7547 -16.7547 -16.7440 -16.7440 -16.7414 -16.7414 -2.8575 -2.8575 -1.1933 -1.1933 1.0838 1.0838 6.4600 6.4600 6.8522 6.8522 7.9032 7.9032 8.0954 8.0954 9.0240 9.0240 9.0484 9.0484 9.5920 9.5920 9.8007 9.8007 11.1130 11.1130 11.1462 11.1462 11.3508 11.3508 12.7693 12.7693 13.3067 13.3067 13.9466 13.9466 14.0999 14.0999 k = 0.0968 0.0968-0.0000 ( 4179 PWs) bands (ev): -50.1694 -50.1694 -50.1693 -50.1693 -24.4783 -24.4783 -24.4757 -24.4757 -16.7753 -16.7753 -16.7542 -16.7542 -16.7418 -16.7418 -16.7391 -16.7391 -2.8841 -2.8841 -1.2039 -1.2039 1.0527 1.0527 6.4978 6.4978 6.8266 6.8266 7.9823 7.9823 8.1857 8.1857 8.9844 8.9844 9.1341 9.1341 9.6731 9.6731 9.8855 9.8855 10.9984 10.9984 11.1214 11.1214 11.3507 11.3507 12.7190 12.7190 13.3404 13.3404 13.9115 13.9115 13.9935 13.9935 k = 0.0887 0.0887-0.0000 ( 4179 PWs) bands (ev): -50.1695 -50.1695 -50.1694 -50.1694 -24.4779 -24.4779 -24.4752 -24.4752 -16.7751 -16.7751 -16.7537 -16.7537 -16.7397 -16.7397 -16.7370 -16.7370 -2.9088 -2.9088 -1.2141 -1.2141 1.0240 1.0240 6.5366 6.5366 6.8022 6.8022 8.0570 8.0570 8.2784 8.2784 8.9392 8.9392 9.2234 9.2234 9.7457 9.7457 9.9770 9.9770 10.8798 10.8798 11.0960 11.0960 11.3494 11.3494 12.6661 12.6661 13.3756 13.3756 13.8211 13.8211 13.9528 13.9528 k = 0.0806 0.0806-0.0000 ( 4175 PWs) bands (ev): -50.1696 -50.1696 -50.1695 -50.1695 -24.4774 -24.4774 -24.4747 -24.4747 -16.7749 -16.7749 -16.7533 -16.7533 -16.7377 -16.7377 -16.7350 -16.7350 -2.9315 -2.9315 -1.2238 -1.2238 0.9979 0.9979 6.5758 6.5758 6.7794 6.7794 8.1266 8.1266 8.3731 8.3731 8.8942 8.8942 9.3111 9.3111 9.8126 9.8126 10.0707 10.0707 10.7614 10.7614 11.0674 11.0674 11.3465 11.3465 12.6110 12.6110 13.4122 13.4122 13.7115 13.7115 13.9429 13.9429 k = 0.0726 0.0726-0.0000 ( 4167 PWs) bands (ev): -50.1697 -50.1697 -50.1695 -50.1695 -24.4770 -24.4770 -24.4742 -24.4742 -16.7748 -16.7748 -16.7528 -16.7528 -16.7359 -16.7359 -16.7331 -16.7331 -2.9522 -2.9522 -1.2328 -1.2328 0.9742 0.9742 6.6144 6.6144 6.7588 6.7588 8.1905 8.1905 8.4692 8.4692 8.8506 8.8506 9.3962 9.3962 9.8759 9.8759 10.1624 10.1624 10.6442 10.6442 11.0364 11.0364 11.3425 11.3425 12.5544 12.5544 13.4475 13.4475 13.6091 13.6091 13.9409 13.9409 k = 0.0645 0.0645-0.0000 ( 4167 PWs) bands (ev): -50.1697 -50.1697 -50.1696 -50.1696 -24.4767 -24.4767 -24.4738 -24.4738 -16.7746 -16.7746 -16.7525 -16.7525 -16.7343 -16.7343 -16.7314 -16.7314 -2.9709 -2.9709 -1.2412 -1.2412 0.9531 0.9531 6.6508 6.6508 6.7414 6.7414 8.2478 8.2478 8.5662 8.5662 8.8097 8.8097 9.4777 9.4777 9.9372 9.9372 10.2483 10.2483 10.5287 10.5287 11.0042 11.0042 11.3378 11.3378 12.4974 12.4974 13.4566 13.4566 13.5432 13.5432 13.9431 13.9431 k = 0.0565 0.0565-0.0000 ( 4177 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4764 -24.4764 -24.4735 -24.4735 -16.7745 -16.7745 -16.7522 -16.7522 -16.7329 -16.7329 -16.7299 -16.7299 -2.9874 -2.9874 -1.2487 -1.2487 0.9345 0.9345 6.6802 6.6802 6.7317 6.7317 8.2973 8.2973 8.6632 8.6632 8.7735 8.7735 9.5546 9.5546 9.9972 9.9972 10.3242 10.3242 10.4163 10.4163 10.9722 10.9722 11.3328 11.3328 12.4411 12.4411 13.3913 13.3913 13.5636 13.5636 13.9482 13.9482 k = 0.0484 0.0484-0.0000 ( 4171 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4761 -24.4761 -24.4732 -24.4732 -16.7744 -16.7744 -16.7520 -16.7520 -16.7315 -16.7315 -16.7286 -16.7286 -3.0018 -3.0018 -1.2554 -1.2554 0.9184 0.9184 6.6884 6.6884 6.7430 6.7430 8.3377 8.3377 8.7404 8.7404 8.7624 8.7624 9.6254 9.6254 10.0560 10.0560 10.3036 10.3036 10.3909 10.3909 10.9428 10.9428 11.3280 11.3280 12.3871 12.3871 13.3139 13.3139 13.6092 13.6092 13.9556 13.9556 k = 0.0403 0.0403-0.0000 ( 4179 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4759 -24.4759 -24.4730 -24.4730 -16.7743 -16.7743 -16.7518 -16.7518 -16.7305 -16.7305 -16.7275 -16.7275 -3.0141 -3.0141 -1.2612 -1.2612 0.9047 0.9047 6.6811 6.6811 6.7688 6.7688 8.3678 8.3678 8.7197 8.7197 8.8550 8.8550 9.6885 9.6885 10.1134 10.1134 10.1997 10.1997 10.4375 10.4375 10.9184 10.9184 11.3237 11.3237 12.3370 12.3370 13.2441 13.2441 13.6603 13.6603 13.9652 13.9652 k = 0.0323 0.0323-0.0000 ( 4177 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4757 -24.4757 -24.4728 -24.4728 -16.7742 -16.7742 -16.7516 -16.7516 -16.7296 -16.7296 -16.7266 -16.7266 -3.0242 -3.0242 -1.2660 -1.2660 0.8935 0.8935 6.6720 6.6720 6.7947 6.7947 8.3875 8.3875 8.7055 8.7055 8.9455 8.9455 9.7420 9.7420 10.0992 10.0992 10.1722 10.1722 10.4652 10.4652 10.9016 10.9016 11.3200 11.3200 12.2927 12.2927 13.1851 13.1851 13.7130 13.7130 13.9773 13.9773 k = 0.0242 0.0242-0.0000 ( 4173 PWs) bands (ev): -50.1700 -50.1700 -50.1698 -50.1698 -24.4755 -24.4755 -24.4726 -24.4726 -16.7741 -16.7741 -16.7515 -16.7515 -16.7289 -16.7289 -16.7259 -16.7259 -3.0320 -3.0320 -1.2698 -1.2698 0.8849 0.8849 6.6641 6.6641 6.8167 6.8167 8.3979 8.3979 8.6987 8.6987 9.0290 9.0290 9.7831 9.7831 10.0132 10.0132 10.2260 10.2260 10.4724 10.4724 10.8933 10.8933 11.3172 11.3172 12.2559 12.2559 13.1381 13.1381 13.7636 13.7636 13.9932 13.9932 k = 0.0161 0.0161-0.0000 ( 4187 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4726 -24.4726 -16.7741 -16.7741 -16.7514 -16.7514 -16.7285 -16.7285 -16.7255 -16.7255 -3.0377 -3.0377 -1.2725 -1.2725 0.8787 0.8787 6.6583 6.6583 6.8333 6.8333 8.4020 8.4020 8.6969 8.6969 9.0999 9.0999 9.8070 9.8070 9.9467 9.9467 10.2769 10.2769 10.4618 10.4618 10.8915 10.8915 11.3152 11.3152 12.2282 12.2282 13.1040 13.1040 13.8063 13.8063 14.0149 14.0149 k = 0.0081 0.0081-0.0000 ( 4187 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4754 -24.4754 -24.4725 -24.4725 -16.7741 -16.7741 -16.7513 -16.7513 -16.7282 -16.7282 -16.7252 -16.7252 -3.0410 -3.0410 -1.2741 -1.2741 0.8749 0.8749 6.6547 6.6547 6.8436 6.8436 8.4028 8.4028 8.6972 8.6972 9.1497 9.1497 9.8089 9.8089 9.9125 9.9125 10.3203 10.3203 10.4406 10.4406 10.8925 10.8925 11.3141 11.3141 12.2111 12.2111 13.0833 13.0833 13.8346 13.8346 14.0408 14.0408 k = 0.0000 0.0000 0.0000 ( 4203 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4725 -24.4725 -16.7742 -16.7742 -16.7514 -16.7514 -16.7281 -16.7281 -16.7251 -16.7251 -3.0422 -3.0422 -1.2747 -1.2747 0.8737 0.8737 6.6535 6.6535 6.8471 6.8471 8.4028 8.4028 8.6976 8.6976 9.1680 9.1680 9.8039 9.8039 9.9051 9.9051 10.3414 10.3414 10.4265 10.4265 10.8932 10.8932 11.3137 11.3137 12.2052 12.2052 13.0763 13.0763 13.8443 13.8443 14.0554 14.0554 k = 0.0000 0.0000 0.0000 ( 4203 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4725 -24.4725 -16.7742 -16.7742 -16.7514 -16.7514 -16.7281 -16.7281 -16.7251 -16.7251 -3.0422 -3.0422 -1.2747 -1.2747 0.8737 0.8737 6.6535 6.6535 6.8471 6.8471 8.4028 8.4028 8.6976 8.6976 9.1680 9.1680 9.8039 9.8039 9.9051 9.9051 10.3414 10.3414 10.4265 10.4265 10.8932 10.8932 11.3137 11.3137 12.2052 12.2052 13.0763 13.0763 13.8443 13.8443 14.0554 14.0554 k = 0.0000 0.0000 0.0115 ( 4191 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4755 -24.4755 -24.4725 -24.4725 -16.7741 -16.7741 -16.7514 -16.7514 -16.7281 -16.7281 -16.7251 -16.7251 -3.0419 -3.0419 -1.2754 -1.2754 0.8743 0.8743 6.6204 6.6204 6.8841 6.8841 8.4030 8.4030 8.6980 8.6980 9.1686 9.1686 9.8032 9.8032 9.9039 9.9039 10.3399 10.3399 10.4264 10.4264 10.8940 10.8940 11.3034 11.3034 12.2088 12.2088 13.0792 13.0792 13.8451 13.8451 14.0565 14.0565 k = 0.0000 0.0000 0.0230 ( 4179 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4754 -24.4754 -24.4724 -24.4724 -16.7739 -16.7739 -16.7514 -16.7514 -16.7280 -16.7280 -16.7251 -16.7251 -3.0410 -3.0410 -1.2777 -1.2777 0.8763 0.8763 6.5545 6.5545 6.9614 6.9614 8.4036 8.4036 8.6990 8.6990 9.1701 9.1701 9.8011 9.8011 9.9005 9.9005 10.3355 10.3355 10.4260 10.4260 10.8962 10.8962 11.2729 11.2729 12.2195 12.2195 13.0877 13.0877 13.8475 13.8475 14.0598 14.0598 k = 0.0000 0.0000 0.0344 ( 4175 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4753 -24.4753 -24.4724 -24.4724 -16.7737 -16.7737 -16.7516 -16.7516 -16.7280 -16.7280 -16.7251 -16.7251 -3.0397 -3.0397 -1.2814 -1.2814 0.8794 0.8794 6.4823 6.4823 7.0526 7.0526 8.4044 8.4044 8.7007 8.7007 9.1728 9.1728 9.7978 9.7978 9.8950 9.8950 10.3282 10.3282 10.4251 10.4251 10.8998 10.8998 11.2237 11.2237 12.2373 12.2373 13.1016 13.1016 13.8516 13.8516 14.0652 14.0652 k = 0.0000 0.0000 0.0459 ( 4179 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4753 -24.4753 -24.4725 -24.4725 -16.7735 -16.7735 -16.7518 -16.7518 -16.7280 -16.7280 -16.7251 -16.7251 -3.0378 -3.0378 -1.2864 -1.2864 0.8837 0.8837 6.4107 6.4107 7.1508 7.1508 8.4056 8.4056 8.7030 8.7030 9.1764 9.1764 9.7932 9.7932 9.8874 9.8874 10.3184 10.3184 10.4230 10.4230 10.9046 10.9046 11.1581 11.1581 12.2621 12.2621 13.1207 13.1207 13.8574 13.8574 14.0725 14.0725 k = 0.0000 0.0000 0.0574 ( 4179 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4753 -24.4753 -24.4725 -24.4725 -16.7732 -16.7732 -16.7522 -16.7522 -16.7279 -16.7279 -16.7251 -16.7251 -3.0355 -3.0355 -1.2926 -1.2926 0.8890 0.8890 6.3417 6.3417 7.2541 7.2541 8.4071 8.4071 8.7059 8.7059 9.1809 9.1809 9.7876 9.7876 9.8781 9.8781 10.3063 10.3063 10.4190 10.4190 10.9104 10.9104 11.0789 11.0789 12.2938 12.2938 13.1445 13.1445 13.8650 13.8650 14.0816 14.0816 k = 0.0000 0.0000 0.0689 ( 4167 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4752 -24.4752 -24.4724 -24.4724 -16.7728 -16.7728 -16.7525 -16.7525 -16.7279 -16.7279 -16.7251 -16.7251 -3.0328 -3.0328 -1.2998 -1.2998 0.8951 0.8951 6.2761 6.2761 7.3614 7.3614 8.4090 8.4090 8.7094 8.7094 9.1862 9.1862 9.7811 9.7811 9.8674 9.8674 10.2921 10.2921 10.4113 10.4113 10.9172 10.9172 10.9900 10.9900 12.3321 12.3321 13.1725 13.1725 13.8743 13.8743 14.0921 14.0921 k = 0.0000 0.0000 0.0804 ( 4159 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4751 -24.4751 -24.4725 -24.4725 -16.7723 -16.7723 -16.7529 -16.7529 -16.7278 -16.7278 -16.7251 -16.7251 -3.0297 -3.0297 -1.3078 -1.3078 0.9019 0.9019 6.2145 6.2145 7.4725 7.4725 8.4112 8.4112 8.7132 8.7132 9.1923 9.1923 9.7740 9.7740 9.8555 9.8555 10.2764 10.2764 10.3972 10.3972 10.8963 10.8963 10.9245 10.9245 12.3769 12.3769 13.2040 13.2040 13.8850 13.8850 14.1038 14.1038 k = 0.0000 0.0000 0.0919 ( 4163 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4750 -24.4750 -24.4726 -24.4726 -16.7719 -16.7719 -16.7534 -16.7534 -16.7278 -16.7278 -16.7252 -16.7252 -3.0264 -3.0264 -1.3164 -1.3164 0.9092 0.9092 6.1571 6.1571 7.5868 7.5868 8.4137 8.4137 8.7174 8.7174 9.1991 9.1991 9.7664 9.7664 9.8428 9.8428 10.2596 10.2596 10.3717 10.3717 10.8048 10.8048 10.9322 10.9322 12.4279 12.4279 13.2383 13.2383 13.8969 13.8969 14.1163 14.1163 k = 0.0000 0.0000 0.1033 ( 4147 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4749 -24.4749 -24.4725 -24.4725 -16.7713 -16.7713 -16.7538 -16.7538 -16.7276 -16.7276 -16.7252 -16.7252 -3.0230 -3.0230 -1.3253 -1.3253 0.9168 0.9168 6.1041 6.1041 7.7043 7.7043 8.4166 8.4166 8.7219 8.7219 9.2062 9.2062 9.7587 9.7587 9.8297 9.8297 10.2420 10.2420 10.3273 10.3273 10.7246 10.7246 10.9400 10.9400 12.4847 12.4847 13.2746 13.2746 13.9095 13.9095 14.1292 14.1292 k = 0.0000 0.0000 0.1148 ( 4147 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4748 -24.4748 -24.4726 -24.4726 -16.7708 -16.7708 -16.7544 -16.7544 -16.7275 -16.7275 -16.7252 -16.7252 -3.0194 -3.0194 -1.3344 -1.3344 0.9245 0.9245 6.0557 6.0557 7.8244 7.8244 8.4202 8.4202 8.7265 8.7265 9.2137 9.2137 9.7508 9.7508 9.8164 9.8164 10.2242 10.2242 10.2568 10.2568 10.6644 10.6644 10.9478 10.9478 12.5468 12.5468 13.3120 13.3120 13.9224 13.9224 14.1421 14.1421 k = 0.0000 0.0000 0.1263 ( 4155 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4748 -24.4748 -24.4727 -24.4727 -16.7702 -16.7702 -16.7551 -16.7551 -16.7275 -16.7275 -16.7253 -16.7253 -3.0159 -3.0159 -1.3433 -1.3433 0.9320 0.9320 6.0120 6.0120 7.9465 7.9465 8.4247 8.4247 8.7311 8.7311 9.2213 9.2213 9.7432 9.7432 9.8034 9.8034 10.1600 10.1600 10.2066 10.2066 10.6258 10.6258 10.9553 10.9553 12.6136 12.6136 13.3496 13.3496 13.9348 13.9348 14.1546 14.1546 k = 0.0000 0.0000 0.1378 ( 4155 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4746 -24.4746 -24.4729 -24.4729 -16.7695 -16.7695 -16.7557 -16.7557 -16.7274 -16.7274 -16.7254 -16.7254 -3.0125 -3.0125 -1.3518 -1.3518 0.9391 0.9391 5.9731 5.9731 8.0695 8.0695 8.4313 8.4313 8.7355 8.7355 9.2287 9.2287 9.7360 9.7360 9.7910 9.7910 10.0437 10.0437 10.1897 10.1897 10.6032 10.6032 10.9624 10.9624 12.6843 12.6843 13.3862 13.3862 13.9459 13.9459 14.1665 14.1665 k = 0.0000 0.0000 0.1493 ( 4154 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4746 -24.4746 -24.4730 -24.4730 -16.7689 -16.7689 -16.7564 -16.7564 -16.7273 -16.7273 -16.7255 -16.7255 -3.0093 -3.0093 -1.3597 -1.3597 0.9458 0.9458 5.9391 5.9391 8.1900 8.1900 8.4430 8.4430 8.7398 8.7398 9.2359 9.2359 9.7294 9.7294 9.7794 9.7794 9.9149 9.9149 10.1739 10.1739 10.5903 10.5903 10.9688 10.9688 12.7577 12.7577 13.4210 13.4210 13.9546 13.9546 14.1775 14.1775 k = 0.0000 0.0000 0.1607 ( 4150 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4745 -24.4745 -24.4730 -24.4730 -16.7682 -16.7682 -16.7570 -16.7570 -16.7272 -16.7272 -16.7256 -16.7256 -3.0064 -3.0064 -1.3669 -1.3669 0.9517 0.9517 5.9102 5.9102 8.2966 8.2966 8.4709 8.4709 8.7436 8.7436 9.2425 9.2425 9.7234 9.7234 9.7691 9.7691 9.7788 9.7788 10.1597 10.1597 10.5830 10.5830 10.9745 10.9745 12.8321 12.8321 13.4527 13.4527 13.9589 13.9589 14.1872 14.1872 k = 0.0000 0.0000 0.1722 ( 4150 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4744 -24.4744 -24.4731 -24.4731 -16.7676 -16.7676 -16.7576 -16.7576 -16.7272 -16.7272 -16.7256 -16.7256 -3.0040 -3.0040 -1.3729 -1.3729 0.9568 0.9568 5.8865 5.8865 8.3623 8.3623 8.5419 8.5419 8.7469 8.7469 9.2483 9.2483 9.6383 9.6383 9.7184 9.7184 9.7603 9.7603 10.1474 10.1474 10.5789 10.5789 10.9793 10.9793 12.9052 12.9052 13.4803 13.4803 13.9558 13.9558 14.1957 14.1957 k = 0.0000 0.0000 0.1837 ( 4150 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4743 -24.4743 -24.4731 -24.4731 -16.7670 -16.7670 -16.7582 -16.7582 -16.7271 -16.7271 -16.7257 -16.7257 -3.0020 -3.0020 -1.3779 -1.3779 0.9609 0.9609 5.8679 5.8679 8.3873 8.3873 8.6553 8.6553 8.7497 8.7497 9.2531 9.2531 9.4958 9.4958 9.7144 9.7144 9.7531 9.7531 10.1375 10.1375 10.5766 10.5766 10.9831 10.9831 12.9732 12.9732 13.5030 13.5030 13.9416 13.9416 14.1747 14.1747 k = 0.0000 0.0000 0.1952 ( 4166 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4744 -24.4744 -24.4733 -24.4733 -16.7667 -16.7667 -16.7587 -16.7587 -16.7271 -16.7271 -16.7258 -16.7258 -3.0005 -3.0005 -1.3815 -1.3815 0.9639 0.9639 5.8546 5.8546 8.3969 8.3969 8.7517 8.7517 8.7854 8.7854 9.2566 9.2566 9.3525 9.3525 9.7114 9.7114 9.7479 9.7479 10.1302 10.1302 10.5754 10.5754 10.9859 10.9859 13.0306 13.0306 13.5198 13.5198 13.9165 13.9165 14.1340 14.1340 k = 0.0000 0.0000 0.2067 ( 4174 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4745 -24.4745 -24.4733 -24.4733 -16.7665 -16.7665 -16.7590 -16.7590 -16.7271 -16.7271 -16.7258 -16.7258 -2.9996 -2.9996 -1.3837 -1.3837 0.9657 0.9657 5.8466 5.8466 8.4010 8.4010 8.7529 8.7529 8.9214 8.9214 9.2101 9.2101 9.2588 9.2588 9.7096 9.7096 9.7447 9.7447 10.1257 10.1257 10.5748 10.5748 10.9876 10.9876 13.0702 13.0702 13.5302 13.5302 13.8913 13.8913 14.1145 14.1145 k = 0.0000 0.0000 0.2181 ( 4186 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4746 -24.4746 -24.4733 -24.4733 -16.7665 -16.7665 -16.7591 -16.7591 -16.7272 -16.7272 -16.7258 -16.7258 -2.9993 -2.9993 -1.3844 -1.3844 0.9663 0.9663 5.8439 5.8439 8.4021 8.4021 8.7533 8.7533 9.0369 9.0369 9.0926 9.0926 9.2596 9.2596 9.7090 9.7090 9.7436 9.7436 10.1242 10.1242 10.5747 10.5747 10.9882 10.9882 13.0844 13.0844 13.5337 13.5337 13.8807 13.8807 14.1091 14.1091 k = 0.0000 0.0000 0.2181 ( 4186 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4746 -24.4746 -24.4733 -24.4733 -16.7665 -16.7665 -16.7591 -16.7591 -16.7272 -16.7272 -16.7258 -16.7258 -2.9993 -2.9993 -1.3844 -1.3844 0.9663 0.9663 5.8439 5.8439 8.4021 8.4021 8.7533 8.7533 9.0369 9.0369 9.0926 9.0926 9.2596 9.2596 9.7090 9.7090 9.7436 9.7436 10.1242 10.1242 10.5747 10.5747 10.9882 10.9882 13.0844 13.0844 13.5337 13.5337 13.8807 13.8807 14.1091 14.1091 k = 0.0000 0.0114 0.2181 ( 4174 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4745 -24.4745 -24.4733 -24.4733 -16.7664 -16.7664 -16.7591 -16.7591 -16.7272 -16.7272 -16.7259 -16.7259 -2.9982 -2.9982 -1.3837 -1.3837 0.9672 0.9672 5.8453 5.8453 8.3934 8.3934 8.7368 8.7368 9.0302 9.0302 9.1178 9.1178 9.2360 9.2360 9.7161 9.7161 9.7523 9.7523 10.1285 10.1285 10.5744 10.5744 10.9865 10.9865 13.0813 13.0813 13.5399 13.5399 13.8801 13.8801 14.1055 14.1055 k = 0.0000 0.0227 0.2181 ( 4170 PWs) bands (ev): -50.1699 -50.1699 -50.1699 -50.1699 -24.4745 -24.4745 -24.4734 -24.4734 -16.7665 -16.7665 -16.7591 -16.7591 -16.7275 -16.7275 -16.7262 -16.7262 -2.9949 -2.9949 -1.3815 -1.3815 0.9700 0.9700 5.8495 5.8495 8.3658 8.3658 8.6999 8.6999 9.0170 9.0170 9.1703 9.1703 9.1788 9.1788 9.7262 9.7262 9.7809 9.7809 10.1415 10.1415 10.5739 10.5739 10.9818 10.9818 13.0718 13.0718 13.5581 13.5581 13.8769 13.8769 14.0971 14.0971 k = 0.0000 0.0341 0.2181 ( 4162 PWs) bands (ev): -50.1699 -50.1699 -50.1699 -50.1699 -24.4746 -24.4746 -24.4735 -24.4735 -16.7665 -16.7665 -16.7592 -16.7592 -16.7279 -16.7279 -16.7267 -16.7267 -2.9895 -2.9895 -1.3779 -1.3779 0.9746 0.9746 5.8565 5.8565 8.3168 8.3168 8.6618 8.6618 8.9895 8.9895 9.1014 9.1014 9.2417 9.2417 9.7347 9.7347 9.8192 9.8192 10.1632 10.1632 10.5736 10.5736 10.9752 10.9752 13.0561 13.0561 13.5867 13.5867 13.8676 13.8676 14.0908 14.0908 k = 0.0000 0.0455 0.2181 ( 4162 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4747 -24.4747 -24.4736 -24.4736 -16.7667 -16.7667 -16.7593 -16.7593 -16.7286 -16.7286 -16.7273 -16.7273 -2.9820 -2.9820 -1.3729 -1.3729 0.9810 0.9810 5.8662 5.8662 8.2470 8.2470 8.6320 8.6320 8.9204 8.9204 9.0510 9.0510 9.3119 9.3119 9.7442 9.7442 9.8544 9.8544 10.1936 10.1936 10.5736 10.5736 10.9685 10.9685 13.0345 13.0345 13.6231 13.6231 13.8483 13.8483 14.0938 14.0938 k = 0.0000 0.0568 0.2181 ( 4166 PWs) bands (ev): -50.1698 -50.1698 -50.1698 -50.1698 -24.4750 -24.4750 -24.4738 -24.4738 -16.7670 -16.7670 -16.7594 -16.7594 -16.7295 -16.7295 -16.7281 -16.7281 -2.9723 -2.9723 -1.3666 -1.3666 0.9893 0.9893 5.8786 5.8786 8.1608 8.1608 8.6100 8.6100 8.8138 8.8138 9.0254 9.0254 9.3803 9.3803 9.7556 9.7556 9.8801 9.8801 10.2323 10.2323 10.5735 10.5735 10.9644 10.9644 13.0072 13.0072 13.6641 13.6641 13.8184 13.8184 14.1001 14.1001 k = 0.0000 0.0682 0.2181 ( 4178 PWs) bands (ev): -50.1698 -50.1698 -50.1698 -50.1698 -24.4753 -24.4753 -24.4741 -24.4741 -16.7673 -16.7673 -16.7596 -16.7596 -16.7305 -16.7305 -16.7291 -16.7291 -2.9605 -2.9605 -1.3589 -1.3589 0.9994 0.9994 5.8938 5.8938 8.0636 8.0636 8.5872 8.5872 8.6979 8.6979 9.0047 9.0047 9.4446 9.4446 9.7692 9.7692 9.8943 9.8943 10.2788 10.2788 10.5713 10.5713 10.9659 10.9659 12.9745 12.9745 13.7063 13.7063 13.7807 13.7807 14.0902 14.0902 k = 0.0000 0.0795 0.2181 ( 4182 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4756 -24.4756 -24.4744 -24.4744 -16.7678 -16.7678 -16.7599 -16.7599 -16.7317 -16.7317 -16.7302 -16.7302 -2.9466 -2.9466 -1.3500 -1.3500 1.0114 1.0114 5.9115 5.9115 7.9596 7.9596 8.5190 8.5190 8.6227 8.6227 8.9822 8.9822 9.5038 9.5038 9.7850 9.7850 9.8975 9.8975 10.3321 10.3321 10.5645 10.5645 10.9764 10.9764 12.9371 12.9371 13.7382 13.7382 13.7470 13.7470 14.0707 14.0707 k = 0.0000 0.0909 0.2181 ( 4186 PWs) bands (ev): -50.1697 -50.1697 -50.1697 -50.1697 -24.4760 -24.4760 -24.4747 -24.4747 -16.7684 -16.7684 -16.7603 -16.7603 -16.7329 -16.7329 -16.7313 -16.7313 -2.9306 -2.9306 -1.3400 -1.3400 1.0253 1.0253 5.9319 5.9319 7.8517 7.8517 8.3909 8.3909 8.6041 8.6041 8.9554 8.9554 9.5577 9.5577 9.8031 9.8031 9.8920 9.8920 10.3905 10.3905 10.5512 10.5512 10.9978 10.9978 12.8954 12.8954 13.6937 13.6937 13.7840 13.7840 14.0492 14.0492 k = 0.0000 0.1023 0.2181 ( 4182 PWs) bands (ev): -50.1696 -50.1696 -50.1696 -50.1696 -24.4762 -24.4762 -24.4751 -24.4751 -16.7690 -16.7690 -16.7609 -16.7609 -16.7342 -16.7342 -16.7324 -16.7324 -2.9126 -2.9126 -1.3289 -1.3289 1.0411 1.0411 5.9548 5.9548 7.7415 7.7415 8.2484 8.2484 8.5971 8.5971 8.9231 8.9231 9.6064 9.6064 9.8235 9.8235 9.8806 9.8806 10.4499 10.4499 10.5332 10.5332 11.0300 11.0300 12.8503 12.8503 13.6484 13.6484 13.8158 13.8158 14.0288 14.0288 k = 0.0000 0.1136 0.2181 ( 4178 PWs) bands (ev): -50.1696 -50.1696 -50.1695 -50.1695 -24.4766 -24.4766 -24.4754 -24.4754 -16.7699 -16.7699 -16.7616 -16.7616 -16.7354 -16.7354 -16.7335 -16.7335 -2.8925 -2.8925 -1.3168 -1.3168 1.0588 1.0588 5.9801 5.9801 7.6304 7.6304 8.1006 8.1006 8.5930 8.5930 8.8845 8.8845 9.6504 9.6504 9.8460 9.8460 9.8663 9.8663 10.4788 10.4788 10.5411 10.5411 11.0717 11.0717 12.8025 12.8025 13.6035 13.6035 13.8402 13.8402 14.0129 14.0129 k = 0.0000 0.1250 0.2181 ( 4178 PWs) bands (ev): -50.1695 -50.1695 -50.1694 -50.1694 -24.4771 -24.4771 -24.4758 -24.4758 -16.7711 -16.7711 -16.7625 -16.7625 -16.7367 -16.7367 -16.7345 -16.7345 -2.8705 -2.8705 -1.3039 -1.3039 1.0784 1.0784 6.0077 6.0077 7.5194 7.5194 7.9498 7.9498 8.5896 8.5896 8.8392 8.8392 9.6900 9.6900 9.8515 9.8515 9.8707 9.8707 10.4519 10.4519 10.6003 10.6003 11.1210 11.1210 12.7529 12.7529 13.5596 13.5596 13.8538 13.8538 14.0060 14.0060 k = 0.0000 0.1364 0.2181 ( 4178 PWs) bands (ev): -50.1694 -50.1694 -50.1694 -50.1694 -24.4775 -24.4775 -24.4763 -24.4763 -16.7725 -16.7725 -16.7637 -16.7637 -16.7379 -16.7379 -16.7354 -16.7354 -2.8465 -2.8465 -1.2902 -1.2902 1.1000 1.1000 6.0374 6.0374 7.4090 7.4090 7.7971 7.7971 8.5855 8.5855 8.7880 8.7880 9.7254 9.7254 9.8387 9.8387 9.8972 9.8972 10.4129 10.4129 10.6671 10.6671 11.1760 11.1760 12.7026 12.7026 13.5171 13.5171 13.8538 13.8538 14.0117 14.0117 k = 0.0000 0.1477 0.2181 ( 4180 PWs) bands (ev): -50.1693 -50.1693 -50.1693 -50.1693 -24.4780 -24.4780 -24.4767 -24.4767 -16.7742 -16.7742 -16.7652 -16.7652 -16.7389 -16.7389 -16.7362 -16.7362 -2.8206 -2.8206 -1.2760 -1.2760 1.1236 1.1236 6.0689 6.0689 7.2999 7.2999 7.6436 7.6436 8.5779 8.5779 8.7331 8.7331 9.7564 9.7564 9.8293 9.8293 9.9253 9.9253 10.3699 10.3699 10.7338 10.7338 11.2353 11.2353 12.6527 12.6527 13.4764 13.4764 13.8427 13.8427 14.0287 14.0287 k = 0.0000 0.1591 0.2181 ( 4184 PWs) bands (ev): -50.1692 -50.1692 -50.1692 -50.1692 -24.4786 -24.4786 -24.4772 -24.4772 -16.7762 -16.7762 -16.7670 -16.7670 -16.7398 -16.7398 -16.7369 -16.7369 -2.7928 -2.7928 -1.2614 -1.2614 1.1493 1.1493 6.1018 6.1018 7.1925 7.1925 7.4902 7.4902 8.5601 8.5601 8.6817 8.6817 9.7819 9.7819 9.8249 9.8249 9.9546 9.9546 10.3253 10.3253 10.7983 10.7983 11.2979 11.2979 12.6044 12.6044 13.4378 13.4378 13.8253 13.8253 14.0526 14.0526 k = 0.0000 0.1705 0.2181 ( 4180 PWs) bands (ev): -50.1691 -50.1691 -50.1691 -50.1691 -24.4791 -24.4791 -24.4777 -24.4777 -16.7784 -16.7784 -16.7691 -16.7691 -16.7405 -16.7405 -16.7373 -16.7373 -2.7632 -2.7632 -1.2465 -1.2465 1.1770 1.1770 6.1354 6.1354 7.0872 7.0872 7.3379 7.3379 8.5189 8.5189 8.6474 8.6474 9.7989 9.7989 9.8283 9.8283 9.9841 9.9841 10.2815 10.2815 10.8592 10.8592 11.3633 11.3633 12.5588 12.5588 13.4013 13.4013 13.8056 13.8056 14.0803 14.0803 k = 0.0000 0.1818 0.2181 ( 4176 PWs) bands (ev): -50.1690 -50.1690 -50.1690 -50.1690 -24.4797 -24.4797 -24.4783 -24.4783 -16.7808 -16.7808 -16.7715 -16.7715 -16.7409 -16.7409 -16.7376 -16.7376 -2.7318 -2.7318 -1.2315 -1.2315 1.2069 1.2069 6.1687 6.1687 6.9842 6.9842 7.1884 7.1884 8.4528 8.4528 8.6326 8.6326 9.8073 9.8073 9.8390 9.8390 10.0117 10.0117 10.2417 10.2417 10.9154 10.9154 11.4309 11.4309 12.5172 12.5172 13.3672 13.3672 13.7860 13.7860 14.1100 14.1100 k = 0.0000 0.1932 0.2181 ( 4176 PWs) bands (ev): -50.1689 -50.1689 -50.1689 -50.1689 -24.4802 -24.4802 -24.4788 -24.4788 -16.7835 -16.7835 -16.7743 -16.7743 -16.7412 -16.7412 -16.7378 -16.7378 -2.6987 -2.6987 -1.2167 -1.2167 1.2389 1.2389 6.1994 6.1994 6.8838 6.8838 7.0441 7.0441 8.3725 8.3725 8.6274 8.6274 9.8132 9.8132 9.8492 9.8492 10.0324 10.0324 10.2124 10.2124 10.9658 10.9658 11.5004 11.5004 12.4808 12.4808 13.3356 13.3356 13.7680 13.7680 14.1410 14.1410 k = 0.0000 0.2045 0.2181 ( 4180 PWs) bands (ev): -50.1688 -50.1688 -50.1688 -50.1688 -24.4809 -24.4809 -24.4794 -24.4794 -16.7864 -16.7864 -16.7772 -16.7772 -16.7413 -16.7413 -16.7379 -16.7379 -2.6639 -2.6639 -1.2021 -1.2021 1.2732 1.2732 6.2236 6.2236 6.7862 6.7862 6.9094 6.9094 8.2844 8.2844 8.6261 8.6261 9.8191 9.8191 9.8545 9.8545 10.0379 10.0379 10.2035 10.2035 11.0097 11.0097 11.5715 11.5715 12.4508 12.4508 13.3065 13.3065 13.7528 13.7528 14.1727 14.1727 k = 0.0000 0.2159 0.2181 ( 4180 PWs) bands (ev): -50.1687 -50.1687 -50.1686 -50.1686 -24.4815 -24.4815 -24.4800 -24.4800 -16.7895 -16.7895 -16.7804 -16.7804 -16.7412 -16.7412 -16.7378 -16.7378 -2.6276 -2.6276 -1.1881 -1.1881 1.3097 1.3097 6.2330 6.2330 6.6921 6.6921 6.7925 6.7925 8.1914 8.1914 8.6267 8.6267 9.8217 9.8217 9.8555 9.8555 10.0259 10.0259 10.2191 10.2191 11.0464 11.0464 11.6443 11.6443 12.4279 12.4279 13.2799 13.2799 13.7414 13.7414 14.2051 14.2051 k = 0.0000 0.2273 0.2181 ( 4180 PWs) bands (ev): -50.1686 -50.1686 -50.1685 -50.1685 -24.4821 -24.4821 -24.4806 -24.4806 -16.7927 -16.7927 -16.7837 -16.7837 -16.7411 -16.7411 -16.7377 -16.7377 -2.5897 -2.5897 -1.1747 -1.1747 1.3486 1.3486 6.2126 6.2126 6.6042 6.6042 6.7057 6.7057 8.0952 8.0952 8.6284 8.6284 9.8116 9.8116 9.8598 9.8598 10.0055 10.0055 10.2515 10.2515 11.0755 11.0755 11.7184 11.7184 12.4128 12.4128 13.2557 13.2557 13.7348 13.7348 14.2380 14.2380 k = 0.0000 0.2386 0.2181 ( 4168 PWs) bands (ev): -50.1684 -50.1684 -50.1684 -50.1684 -24.4826 -24.4826 -24.4812 -24.4812 -16.7959 -16.7959 -16.7871 -16.7871 -16.7407 -16.7407 -16.7374 -16.7374 -2.5503 -2.5503 -1.1623 -1.1623 1.3899 1.3899 6.1492 6.1492 6.5232 6.5232 6.6624 6.6624 7.9968 7.9968 8.6309 8.6309 9.7858 9.7858 9.8697 9.8697 9.9844 9.9844 10.2930 10.2930 11.0970 11.0970 11.7938 11.7938 12.4057 12.4057 13.2339 13.2339 13.7338 13.7338 14.2713 14.2713 k = 0.0000 0.2500 0.2181 ( 4158 PWs) bands (ev): -50.1683 -50.1683 -50.1683 -50.1683 -24.4832 -24.4832 -24.4818 -24.4818 -16.7992 -16.7992 -16.7906 -16.7906 -16.7403 -16.7403 -16.7371 -16.7371 -2.5096 -2.5096 -1.1510 -1.1510 1.4337 1.4337 6.0471 6.0471 6.4457 6.4457 6.6616 6.6616 7.8971 7.8971 8.6340 8.6340 9.7493 9.7493 9.8802 9.8802 9.9654 9.9654 10.3400 10.3400 11.1113 11.1113 11.8702 11.8702 12.4065 12.4065 13.2141 13.2141 13.7393 13.7393 14.3049 14.3049 k = 0.0000 0.2614 0.2181 ( 4164 PWs) bands (ev): -50.1682 -50.1682 -50.1682 -50.1682 -24.4838 -24.4838 -24.4824 -24.4824 -16.8026 -16.8026 -16.7943 -16.7943 -16.7399 -16.7399 -16.7368 -16.7368 -2.4675 -2.4675 -1.1411 -1.1411 1.4800 1.4800 5.9220 5.9220 6.3715 6.3715 6.6883 6.6883 7.7967 7.7967 8.6376 8.6376 9.7063 9.7063 9.8836 9.8836 9.9536 9.9536 10.3909 10.3909 11.1188 11.1188 11.9477 11.9477 12.4147 12.4147 13.1961 13.1961 13.7518 13.7518 14.3388 14.3388 k = 0.0000 0.2727 0.2181 ( 4168 PWs) bands (ev): -50.1681 -50.1681 -50.1681 -50.1681 -24.4845 -24.4845 -24.4831 -24.4831 -16.8060 -16.8060 -16.7979 -16.7979 -16.7395 -16.7395 -16.7365 -16.7365 -2.4242 -2.4242 -1.1327 -1.1327 1.5290 1.5290 5.7856 5.7856 6.3015 6.3015 6.7300 6.7300 7.6965 7.6965 8.6418 8.6418 9.6595 9.6595 9.8692 9.8692 9.9569 9.9569 10.4449 10.4449 11.1204 11.1204 12.0259 12.0259 12.4295 12.4295 13.1795 13.1795 13.7719 13.7719 14.3715 14.3715 k = 0.0000 0.2841 0.2181 ( 4168 PWs) bands (ev): -50.1680 -50.1680 -50.1680 -50.1680 -24.4851 -24.4851 -24.4837 -24.4837 -16.8095 -16.8095 -16.8016 -16.8016 -16.7390 -16.7390 -16.7360 -16.7360 -2.3798 -2.3798 -1.1261 -1.1261 1.5806 1.5806 5.6437 5.6437 6.2363 6.2363 6.7803 6.7803 7.5970 7.5970 8.6464 8.6464 9.6107 9.6107 9.8388 9.8388 9.9722 9.9722 10.5018 10.5018 11.1168 11.1168 12.1046 12.1046 12.4501 12.4501 13.1636 13.1636 13.7997 13.7997 14.3757 14.3757 k = 0.0000 0.2955 0.2181 ( 4160 PWs) bands (ev): -50.1679 -50.1679 -50.1679 -50.1679 -24.4857 -24.4857 -24.4842 -24.4842 -16.8128 -16.8128 -16.8051 -16.8051 -16.7385 -16.7385 -16.7356 -16.7356 -2.3343 -2.3343 -1.1215 -1.1215 1.6350 1.6350 5.4995 5.4995 6.1762 6.1762 6.8356 6.8356 7.4991 7.4991 8.6515 8.6515 9.5609 9.5609 9.7983 9.7983 9.9931 9.9931 10.5611 10.5611 11.1087 11.1087 12.1836 12.1836 12.4756 12.4756 13.1476 13.1476 13.8351 13.8351 14.3140 14.3140 k = 0.0000 0.3068 0.2181 ( 4146 PWs) bands (ev): -50.1677 -50.1677 -50.1677 -50.1677 -24.4861 -24.4861 -24.4848 -24.4848 -16.8160 -16.8160 -16.8087 -16.8087 -16.7378 -16.7378 -16.7351 -16.7351 -2.2879 -2.2879 -1.1190 -1.1190 1.6923 1.6923 5.3545 5.3545 6.1214 6.1214 6.8933 6.8933 7.4043 7.4043 8.6571 8.6571 9.5108 9.5108 9.7503 9.7503 10.0167 10.0167 10.6227 10.6227 11.0969 11.0969 12.2625 12.2625 12.5052 12.5052 13.1307 13.1307 13.8771 13.8771 14.2486 14.2486 k = 0.0000 0.3182 0.2181 ( 4146 PWs) bands (ev): -50.1676 -50.1676 -50.1676 -50.1676 -24.4867 -24.4867 -24.4854 -24.4854 -16.8192 -16.8192 -16.8122 -16.8122 -16.7372 -16.7372 -16.7347 -16.7347 -2.2407 -2.2407 -1.1188 -1.1188 1.7524 1.7524 5.2096 5.2096 6.0722 6.0722 6.9497 6.9497 7.3156 7.3156 8.6634 8.6634 9.4607 9.4607 9.6958 9.6958 10.0420 10.0420 10.6863 10.6863 11.0820 11.0820 12.3409 12.3409 12.5383 12.5383 13.1115 13.1115 13.9232 13.9232 14.1894 14.1894 k = 0.0000 0.3295 0.2181 ( 4146 PWs) bands (ev): -50.1675 -50.1675 -50.1675 -50.1675 -24.4872 -24.4872 -24.4860 -24.4860 -16.8223 -16.8223 -16.8156 -16.8156 -16.7367 -16.7367 -16.7343 -16.7343 -2.1927 -2.1927 -1.1211 -1.1211 1.8155 1.8155 5.0655 5.0655 6.0286 6.0286 6.9953 6.9953 7.2423 7.2423 8.6703 8.6703 9.4109 9.4109 9.6358 9.6358 10.0686 10.0686 10.7514 10.7514 11.0646 11.0646 12.4183 12.4183 12.5744 12.5744 13.0886 13.0886 13.9654 13.9654 14.1465 14.1465 k = 0.0000 0.3409 0.2181 ( 4144 PWs) bands (ev): -50.1674 -50.1674 -50.1674 -50.1674 -24.4877 -24.4877 -24.4866 -24.4866 -16.8252 -16.8252 -16.8190 -16.8190 -16.7361 -16.7361 -16.7339 -16.7339 -2.1441 -2.1441 -1.1260 -1.1260 1.8816 1.8816 4.9224 4.9224 5.9907 5.9907 7.0024 7.0024 7.2121 7.2121 8.6779 8.6779 9.3613 9.3613 9.5711 9.5711 10.0964 10.0964 10.8170 10.8170 11.0461 11.0461 12.4942 12.4942 12.6129 12.6129 13.0606 13.0606 13.9822 13.9822 14.1431 14.1431 k = 0.0000 0.3523 0.2181 ( 4144 PWs) bands (ev): -50.1673 -50.1673 -50.1673 -50.1673 -24.4882 -24.4882 -24.4871 -24.4871 -16.8281 -16.8281 -16.8222 -16.8222 -16.7356 -16.7356 -16.7334 -16.7334 -2.0950 -2.0950 -1.1335 -1.1335 1.9507 1.9507 4.7808 4.7808 5.9587 5.9587 6.9535 6.9535 7.2423 7.2423 8.6862 8.6862 9.3116 9.3116 9.5030 9.5030 10.1250 10.1250 10.8797 10.8797 11.0302 11.0302 12.5677 12.5677 12.6534 12.6534 13.0260 13.0260 13.9662 13.9662 14.1879 14.1879 k = 0.0000 0.3636 0.2181 ( 4156 PWs) bands (ev): -50.1673 -50.1673 -50.1672 -50.1672 -24.4887 -24.4887 -24.4877 -24.4877 -16.8308 -16.8308 -16.8253 -16.8253 -16.7351 -16.7351 -16.7331 -16.7331 -2.0455 -2.0455 -1.1438 -1.1438 2.0229 2.0229 4.6408 4.6408 5.9326 5.9326 6.8792 6.8792 7.3024 7.3024 8.6953 8.6953 9.2613 9.2613 9.4326 9.4326 10.1545 10.1545 10.9249 10.9249 11.0314 11.0314 12.6375 12.6375 12.6959 12.6959 12.9840 12.9840 13.9419 13.9419 14.2570 14.2570 k = 0.0000 0.3750 0.2181 ( 4164 PWs) bands (ev): -50.1672 -50.1672 -50.1672 -50.1672 -24.4892 -24.4892 -24.4882 -24.4882 -16.8333 -16.8333 -16.8282 -16.8282 -16.7346 -16.7346 -16.7328 -16.7328 -1.9958 -1.9958 -1.1569 -1.1569 2.0983 2.0983 4.5025 4.5025 5.9124 5.9124 6.7986 6.7986 7.3735 7.3735 8.7054 8.7054 9.2091 9.2091 9.3619 9.3619 10.1848 10.1848 10.9284 10.9284 11.0743 11.0743 12.7005 12.7005 12.7411 12.7411 12.9354 12.9354 13.9231 13.9231 14.3364 14.3364 k = 0.0000 0.3864 0.2181 ( 4160 PWs) bands (ev): -50.1671 -50.1671 -50.1671 -50.1671 -24.4896 -24.4896 -24.4887 -24.4887 -16.8356 -16.8356 -16.8309 -16.8309 -16.7341 -16.7341 -16.7324 -16.7324 -1.9460 -1.9460 -1.1729 -1.1729 2.1767 2.1767 4.3662 4.3662 5.8981 5.8981 6.7173 6.7173 7.4498 7.4498 8.7164 8.7164 9.1529 9.1529 9.2937 9.2937 10.2157 10.2157 10.9075 10.9075 11.1418 11.1418 12.7480 12.7480 12.7916 12.7916 12.8851 12.8851 13.9137 13.9137 14.4212 14.4212 k = 0.0000 0.3977 0.2181 ( 4154 PWs) bands (ev): -50.1670 -50.1670 -50.1670 -50.1670 -24.4899 -24.4899 -24.4891 -24.4891 -16.8377 -16.8377 -16.8334 -16.8334 -16.7336 -16.7336 -16.7321 -16.7321 -1.8962 -1.8962 -1.1917 -1.1917 2.2583 2.2583 4.2320 4.2320 5.8898 5.8898 6.6375 6.6375 7.5294 7.5294 8.7284 8.7284 9.0902 9.0902 9.2310 9.2310 10.2474 10.2474 10.8789 10.8789 11.2174 11.2174 12.7548 12.7548 12.8428 12.8428 12.8622 12.8622 13.9144 13.9144 14.5087 14.5087 k = 0.0000 0.4091 0.2181 ( 4158 PWs) bands (ev): -50.1670 -50.1670 -50.1670 -50.1670 -24.4902 -24.4902 -24.4895 -24.4895 -16.8396 -16.8396 -16.8357 -16.8357 -16.7332 -16.7332 -16.7318 -16.7318 -1.8466 -1.8466 -1.2132 -1.2132 2.3430 2.3430 4.0999 4.0999 5.8874 5.8874 6.5601 6.5601 7.6115 7.6115 8.7415 8.7415 9.0195 9.0195 9.1759 9.1759 10.2797 10.2797 10.8470 10.8470 11.2969 11.2969 12.7024 12.7024 12.8768 12.8768 12.9030 12.9030 13.9247 13.9247 14.5966 14.5966 k = 0.0000 0.4205 0.2181 ( 4146 PWs) bands (ev): -50.1669 -50.1669 -50.1669 -50.1669 -24.4904 -24.4904 -24.4898 -24.4898 -16.8412 -16.8412 -16.8378 -16.8378 -16.7327 -16.7327 -16.7315 -16.7315 -1.7973 -1.7973 -1.2375 -1.2375 2.4309 2.4309 3.9701 3.9701 5.8908 5.8908 6.4855 6.4855 7.6956 7.6956 8.7558 8.7558 8.9415 8.9415 9.1280 9.1280 10.3127 10.3127 10.8132 10.8132 11.3789 11.3789 12.6279 12.6279 12.9133 12.9133 12.9508 12.9508 13.9438 13.9438 14.6718 14.6718 k = 0.0000 0.4318 0.2181 ( 4162 PWs) bands (ev): -50.1669 -50.1669 -50.1668 -50.1668 -24.4907 -24.4907 -24.4902 -24.4902 -16.8427 -16.8427 -16.8398 -16.8398 -16.7324 -16.7324 -16.7314 -16.7314 -1.7486 -1.7486 -1.2645 -1.2645 2.5219 2.5219 3.8426 3.8426 5.9001 5.9001 6.4143 6.4143 7.7812 7.7812 8.7713 8.7713 8.8583 8.8583 9.0855 9.0855 10.3463 10.3463 10.7782 10.7782 11.4632 11.4632 12.5453 12.5453 12.9503 12.9503 12.9931 12.9931 13.9707 13.9707 14.6232 14.6232 k = 0.0000 0.4432 0.2181 ( 4172 PWs) bands (ev): -50.1668 -50.1668 -50.1668 -50.1668 -24.4910 -24.4910 -24.4906 -24.4906 -16.8439 -16.8439 -16.8414 -16.8414 -16.7321 -16.7321 -16.7313 -16.7313 -1.7005 -1.7005 -1.2941 -1.2941 2.6159 2.6159 3.7176 3.7176 5.9150 5.9150 6.3466 6.3466 7.8684 7.8684 8.7711 8.7711 8.7887 8.7887 9.0472 9.0472 10.3804 10.3804 10.7423 10.7423 11.5493 11.5493 12.4585 12.4585 12.9852 12.9852 13.0287 13.0287 14.0044 14.0044 14.5587 14.5587 k = 0.0000 0.4545 0.2181 ( 4176 PWs) bands (ev): -50.1668 -50.1668 -50.1668 -50.1668 -24.4912 -24.4912 -24.4908 -24.4908 -16.8448 -16.8448 -16.8429 -16.8429 -16.7318 -16.7318 -16.7312 -16.7312 -1.6533 -1.6533 -1.3261 -1.3261 2.7131 2.7131 3.5951 3.5951 5.9354 5.9354 6.2829 6.2829 7.9567 7.9567 8.6827 8.6827 8.8066 8.8066 9.0121 9.0121 10.4151 10.4151 10.7058 10.7058 11.6370 11.6370 12.3688 12.3688 13.0169 13.0169 13.0570 13.0570 14.0439 14.0439 14.4936 14.4936 k = 0.0000 0.4659 0.2181 ( 4178 PWs) bands (ev): -50.1668 -50.1668 -50.1667 -50.1667 -24.4913 -24.4913 -24.4910 -24.4910 -16.8455 -16.8455 -16.8440 -16.8440 -16.7316 -16.7316 -16.7311 -16.7311 -1.6070 -1.6070 -1.3605 -1.3605 2.8132 2.8132 3.4751 3.4751 5.9614 5.9614 6.2231 6.2231 8.0461 8.0461 8.5924 8.5924 8.8262 8.8262 8.9796 8.9796 10.4503 10.4503 10.6690 10.6690 11.7261 11.7261 12.2775 12.2775 13.0442 13.0442 13.0775 13.0775 14.0885 14.0885 14.4293 14.4293 k = 0.0000 0.4773 0.2181 ( 4166 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4911 -24.4911 -16.8459 -16.8459 -16.8449 -16.8449 -16.7313 -16.7313 -16.7310 -16.7310 -1.5620 -1.5620 -1.3971 -1.3971 2.9164 2.9164 3.3578 3.3578 5.9926 5.9926 6.1677 6.1677 8.1363 8.1363 8.5014 8.5014 8.8475 8.8475 8.9493 8.9493 10.4860 10.4860 10.6322 10.6322 11.8165 11.8165 12.1852 12.1852 13.0664 13.0664 13.0902 13.0902 14.1374 14.1374 14.3662 14.3662 k = 0.0000 0.4886 0.2181 ( 4176 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4914 -24.4914 -24.4913 -24.4913 -16.8461 -16.8461 -16.8456 -16.8456 -16.7312 -16.7312 -16.7311 -16.7311 -1.5183 -1.5183 -1.4356 -1.4356 3.0225 3.0225 3.2432 3.2432 6.0290 6.0290 6.1168 6.1168 8.2271 8.2271 8.4100 8.4100 8.8703 8.8703 8.9211 8.9211 10.5221 10.5221 10.5953 10.5953 11.9078 11.9078 12.0926 12.0926 13.0827 13.0827 13.0951 13.0951 14.1902 14.1902 14.3051 14.3051 k = 0.0000 0.5000 0.2181 ( 4168 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4913 -24.4913 -16.8459 -16.8459 -16.8459 -16.8459 -16.7311 -16.7311 -16.7311 -16.7311 -1.4761 -1.4761 -1.4761 -1.4761 3.1314 3.1314 3.1314 3.1314 6.0705 6.0705 6.0705 6.0705 8.3184 8.3184 8.3184 8.3184 8.8948 8.8948 8.8948 8.8948 10.5586 10.5586 10.5586 10.5586 12.0000 12.0000 12.0000 12.0000 13.0925 13.0925 13.0925 13.0925 14.2463 14.2463 14.2463 14.2463 k = 0.0000 0.5000 0.2181 ( 4168 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4913 -24.4913 -16.8459 -16.8459 -16.8459 -16.8459 -16.7311 -16.7311 -16.7311 -16.7311 -1.4761 -1.4761 -1.4761 -1.4761 3.1314 3.1314 3.1314 3.1314 6.0705 6.0705 6.0705 6.0705 8.3184 8.3184 8.3184 8.3184 8.8948 8.8948 8.8948 8.8948 10.5586 10.5586 10.5586 10.5586 12.0000 12.0000 12.0000 12.0000 13.0925 13.0925 13.0925 13.0925 14.2463 14.2463 14.2463 14.2463 k = 0.0114 0.5000 0.2181 ( 4180 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4914 -24.4914 -24.4914 -24.4914 -16.8460 -16.8460 -16.8459 -16.8459 -16.7314 -16.7314 -16.7311 -16.7311 -1.4759 -1.4759 -1.4758 -1.4758 3.1317 3.1317 3.1339 3.1339 6.0688 6.0688 6.0734 6.0734 8.3095 8.3095 8.3254 8.3254 8.8836 8.8836 8.9046 8.9046 10.5556 10.5556 10.5560 10.5560 11.9841 11.9841 11.9862 11.9862 13.1001 13.1001 13.1040 13.1040 14.2448 14.2448 14.2462 14.2462 k = 0.0227 0.5000 0.2181 ( 4176 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4915 -24.4915 -24.4914 -24.4914 -16.8460 -16.8460 -16.8458 -16.8458 -16.7318 -16.7318 -16.7313 -16.7313 -1.4750 -1.4750 -1.4748 -1.4748 3.1346 3.1346 3.1391 3.1391 6.0683 6.0683 6.0776 6.0776 8.2988 8.2988 8.3303 8.3303 8.8712 8.8712 8.9127 8.9127 10.5470 10.5470 10.5480 10.5480 11.9412 11.9412 11.9441 11.9441 13.1256 13.1256 13.1315 13.1315 14.2435 14.2435 14.2451 14.2451 k = 0.0341 0.5000 0.2181 ( 4168 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4916 -24.4916 -24.4914 -24.4914 -16.8459 -16.8459 -16.8456 -16.8456 -16.7324 -16.7324 -16.7317 -16.7317 -1.4736 -1.4736 -1.4733 -1.4733 3.1403 3.1403 3.1471 3.1471 6.0690 6.0690 6.0829 6.0829 8.2866 8.2866 8.3329 8.3329 8.8577 8.8577 8.9191 8.9191 10.5325 10.5325 10.5345 10.5345 11.8764 11.8764 11.8783 11.8783 13.1640 13.1640 13.1686 13.1686 14.2448 14.2448 14.2453 14.2453 k = 0.0455 0.5000 0.2181 ( 4168 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4917 -24.4917 -24.4915 -24.4915 -16.8459 -16.8459 -16.8455 -16.8455 -16.7333 -16.7333 -16.7322 -16.7322 -1.4716 -1.4716 -1.4712 -1.4712 3.1486 3.1486 3.1577 3.1577 6.0710 6.0710 6.0892 6.0892 8.2730 8.2730 8.3331 8.3331 8.8436 8.8436 8.9236 8.9236 10.5120 10.5120 10.5154 10.5154 11.7946 11.7946 11.7956 11.7956 13.2081 13.2081 13.2087 13.2087 14.2487 14.2487 14.2543 14.2543 k = 0.0568 0.5000 0.2181 ( 4164 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4919 -24.4919 -24.4917 -24.4917 -16.8458 -16.8458 -16.8454 -16.8454 -16.7343 -16.7343 -16.7330 -16.7330 -1.4690 -1.4690 -1.4686 -1.4686 3.1597 3.1597 3.1710 3.1710 6.0740 6.0740 6.0965 6.0965 8.2583 8.2583 8.3308 8.3308 8.8290 8.8290 8.9263 8.9263 10.4850 10.4850 10.4906 10.4906 11.6982 11.6982 11.7037 11.7037 13.2442 13.2442 13.2536 13.2536 14.2604 14.2604 14.2742 14.2742 k = 0.0682 0.5000 0.2181 ( 4160 PWs) bands (ev): -50.1666 -50.1666 -50.1666 -50.1666 -24.4921 -24.4921 -24.4918 -24.4918 -16.8457 -16.8457 -16.8452 -16.8452 -16.7355 -16.7355 -16.7340 -16.7340 -1.4658 -1.4658 -1.4653 -1.4653 3.1735 3.1735 3.1870 3.1870 6.0780 6.0780 6.1045 6.1045 8.2429 8.2429 8.3261 8.3261 8.8142 8.8142 8.9270 8.9270 10.4514 10.4514 10.4599 10.4599 11.5932 11.5932 11.6047 11.6047 13.2727 13.2727 13.2939 13.2939 14.2830 14.2830 14.3078 14.3078 k = 0.0795 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1665 -50.1665 -50.1665 -50.1665 -24.4923 -24.4923 -24.4919 -24.4919 -16.8456 -16.8456 -16.8449 -16.8449 -16.7368 -16.7368 -16.7350 -16.7350 -1.4622 -1.4622 -1.4616 -1.4616 3.1900 3.1900 3.2057 3.2057 6.0828 6.0828 6.1132 6.1132 8.2269 8.2269 8.3190 8.3190 8.7995 8.7995 8.9258 8.9258 10.4105 10.4105 10.4229 10.4229 11.4831 11.4831 11.5019 11.5019 13.2921 13.2921 13.3267 13.3267 14.3186 14.3186 14.3560 14.3560 k = 0.0909 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4926 -24.4926 -24.4922 -24.4922 -16.8454 -16.8454 -16.8447 -16.8447 -16.7383 -16.7383 -16.7364 -16.7364 -1.4579 -1.4579 -1.4573 -1.4573 3.2092 3.2092 3.2271 3.2271 6.0883 6.0883 6.1222 6.1222 8.2107 8.2107 8.3097 8.3097 8.7849 8.7849 8.9225 8.9225 10.3621 10.3621 10.3794 10.3794 11.3705 11.3705 11.3977 11.3977 13.3029 13.3029 13.3510 13.3510 14.3677 14.3677 14.4178 14.4178 k = 0.1023 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4929 -24.4929 -24.4925 -24.4925 -16.8453 -16.8453 -16.8445 -16.8445 -16.7400 -16.7400 -16.7378 -16.7378 -1.4532 -1.4532 -1.4525 -1.4525 3.2311 3.2311 3.2510 3.2510 6.0943 6.0943 6.1313 6.1313 8.1946 8.1946 8.2983 8.2983 8.7706 8.7706 8.9173 8.9173 10.3058 10.3058 10.3289 10.3289 11.2577 11.2577 11.2941 11.2941 13.3071 13.3071 13.3676 13.3676 14.4289 14.4289 14.4909 14.4909 k = 0.1136 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1663 -50.1663 -50.1663 -50.1663 -24.4932 -24.4932 -24.4928 -24.4928 -16.8452 -16.8452 -16.8443 -16.8443 -16.7419 -16.7419 -16.7395 -16.7395 -1.4480 -1.4480 -1.4472 -1.4472 3.2556 3.2556 3.2777 3.2777 6.1005 6.1005 6.1403 6.1403 8.1791 8.1791 8.2852 8.2852 8.7565 8.7565 8.9100 8.9100 10.2414 10.2414 10.2710 10.2710 11.1466 11.1466 11.1927 11.1927 13.3071 13.3071 13.3784 13.3784 14.5000 14.5000 14.5724 14.5724 k = 0.1250 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1662 -50.1662 -50.1662 -50.1662 -24.4936 -24.4936 -24.4931 -24.4931 -16.8451 -16.8451 -16.8441 -16.8441 -16.7438 -16.7438 -16.7412 -16.7412 -1.4423 -1.4423 -1.4415 -1.4415 3.2829 3.2829 3.3069 3.3069 6.1068 6.1068 6.1489 6.1489 8.1645 8.1645 8.2709 8.2709 8.7424 8.7424 8.9006 8.9006 10.1689 10.1689 10.2055 10.2055 11.0388 11.0388 11.0949 11.0949 13.3052 13.3052 13.3855 13.3855 14.5781 14.5781 14.6595 14.6595 k = 0.1364 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4940 -24.4940 -24.4935 -24.4935 -16.8450 -16.8450 -16.8439 -16.8439 -16.7458 -16.7458 -16.7431 -16.7431 -1.4361 -1.4361 -1.4353 -1.4353 3.3127 3.3127 3.3387 3.3387 6.1129 6.1129 6.1569 6.1569 8.1511 8.1511 8.2557 8.2557 8.7281 8.7281 8.8888 8.8888 10.0887 10.0887 10.1322 10.1322 10.9358 10.9358 11.0015 11.0015 13.3034 13.3034 13.3910 13.3910 14.6602 14.6602 14.7496 14.7496 k = 0.1477 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4945 -24.4945 -24.4939 -24.4939 -16.8449 -16.8449 -16.8438 -16.8438 -16.7480 -16.7480 -16.7451 -16.7451 -1.4296 -1.4296 -1.4287 -1.4287 3.3452 3.3452 3.3731 3.3731 6.1186 6.1186 6.1638 6.1638 8.1394 8.1394 8.2402 8.2402 8.7132 8.7132 8.8744 8.8744 10.0015 10.0015 10.0513 10.0513 10.8387 10.8387 10.9130 10.9130 13.3031 13.3031 13.3965 13.3965 14.7436 14.7436 14.8403 14.8403 k = 0.1591 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1660 -50.1660 -50.1660 -50.1660 -24.4949 -24.4949 -24.4943 -24.4943 -16.8449 -16.8449 -16.8437 -16.8437 -16.7501 -16.7501 -16.7471 -16.7471 -1.4226 -1.4226 -1.4217 -1.4217 3.3802 3.3802 3.4100 3.4100 6.1235 6.1235 6.1695 6.1695 8.1297 8.1297 8.2249 8.2249 8.6970 8.6970 8.8571 8.8571 9.9085 9.9085 9.9638 9.9638 10.7479 10.7479 10.8295 10.8295 13.3053 13.3053 13.4033 13.4033 14.8254 14.8254 14.9296 14.9296 k = 0.1705 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1659 -50.1659 -50.1659 -50.1659 -24.4954 -24.4954 -24.4948 -24.4948 -16.8449 -16.8449 -16.8437 -16.8437 -16.7524 -16.7524 -16.7492 -16.7492 -1.4153 -1.4153 -1.4144 -1.4144 3.4179 3.4179 3.4495 3.4495 6.1274 6.1274 6.1736 6.1736 8.1224 8.1224 8.2103 8.2103 8.6788 8.6788 8.8362 8.8362 9.8114 9.8114 9.8708 9.8708 10.6637 10.6637 10.7511 10.7511 13.3106 13.3106 13.4120 13.4120 14.9027 14.9027 15.0159 15.0159 k = 0.1818 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1658 -50.1658 -50.1658 -50.1658 -24.4959 -24.4959 -24.4953 -24.4953 -16.8449 -16.8449 -16.8437 -16.8437 -16.7547 -16.7547 -16.7513 -16.7513 -1.4077 -1.4077 -1.4067 -1.4067 3.4581 3.4581 3.4914 3.4914 6.1301 6.1301 6.1759 6.1759 8.1176 8.1176 8.1969 8.1969 8.6575 8.6575 8.8109 8.8109 9.7121 9.7121 9.7743 9.7743 10.5859 10.5859 10.6774 10.6774 13.3193 13.3193 13.4232 13.4232 14.9724 14.9724 15.0975 15.0975 k = 0.1932 0.5000 0.2181 ( 4148 PWs) bands (ev): -50.1657 -50.1657 -50.1657 -50.1657 -24.4965 -24.4965 -24.4959 -24.4959 -16.8451 -16.8451 -16.8438 -16.8438 -16.7570 -16.7570 -16.7536 -16.7536 -1.3998 -1.3998 -1.3988 -1.3988 3.5008 3.5008 3.5358 3.5358 6.1314 6.1314 6.1763 6.1763 8.1156 8.1156 8.1852 8.1852 8.6318 8.6318 8.7803 8.7803 9.6130 9.6130 9.6766 9.6766 10.5141 10.5141 10.6082 10.6082 13.3315 13.3315 13.4371 13.4371 15.0311 15.0311 15.1725 15.1725 k = 0.2045 0.5000 0.2181 ( 4152 PWs) bands (ev): -50.1656 -50.1656 -50.1656 -50.1656 -24.4971 -24.4971 -24.4964 -24.4964 -16.8453 -16.8453 -16.8440 -16.8440 -16.7592 -16.7592 -16.7557 -16.7557 -1.3917 -1.3917 -1.3907 -1.3907 3.5461 3.5461 3.5826 3.5826 6.1311 6.1311 6.1744 6.1744 8.1165 8.1165 8.1754 8.1754 8.6001 8.6001 8.7430 8.7430 9.5166 9.5166 9.5802 9.5802 10.4479 10.4479 10.5431 10.5431 13.3471 13.3471 13.4536 13.4536 15.0758 15.0758 15.2382 15.2382 k = 0.2159 0.5000 0.2181 ( 4148 PWs) bands (ev): -50.1655 -50.1655 -50.1655 -50.1655 -24.4976 -24.4976 -24.4969 -24.4969 -16.8455 -16.8455 -16.8442 -16.8442 -16.7614 -16.7614 -16.7578 -16.7578 -1.3833 -1.3833 -1.3823 -1.3823 3.5938 3.5938 3.6319 3.6319 6.1290 6.1290 6.1704 6.1704 8.1202 8.1202 8.1680 8.1680 8.5603 8.5603 8.6976 8.6976 9.4258 9.4258 9.4881 9.4881 10.3867 10.3867 10.4820 10.4820 13.3658 13.3658 13.4725 13.4725 15.1051 15.1051 15.2884 15.2884 k = 0.2273 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1653 -50.1653 -50.1653 -50.1653 -24.4981 -24.4981 -24.4974 -24.4974 -16.8458 -16.8458 -16.8445 -16.8445 -16.7634 -16.7634 -16.7599 -16.7599 -1.3748 -1.3748 -1.3738 -1.3738 3.6440 3.6440 3.6835 3.6835 6.1250 6.1250 6.1641 6.1641 8.1265 8.1265 8.1629 8.1629 8.5105 8.5105 8.6426 8.6426 9.3433 9.3433 9.4027 9.4027 10.3305 10.3305 10.4248 10.4248 13.3872 13.3872 13.4932 13.4932 15.1200 15.1200 15.3119 15.3119 k = 0.2386 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1652 -50.1652 -50.1652 -50.1652 -24.4986 -24.4986 -24.4980 -24.4980 -16.8463 -16.8463 -16.8450 -16.8450 -16.7654 -16.7654 -16.7619 -16.7619 -1.3662 -1.3662 -1.3652 -1.3652 3.6965 3.6965 3.7374 3.7374 6.1192 6.1192 6.1555 6.1555 8.1349 8.1349 8.1605 8.1605 8.4490 8.4490 8.5773 8.5773 9.2713 9.2713 9.3263 9.3263 10.2790 10.2790 10.3714 10.3714 13.4107 13.4107 13.5151 13.5151 15.1232 15.1232 15.3056 15.3056 k = 0.2500 0.5000 0.2181 ( 4148 PWs) bands (ev): -50.1651 -50.1651 -50.1651 -50.1651 -24.4992 -24.4992 -24.4985 -24.4985 -16.8468 -16.8468 -16.8456 -16.8456 -16.7673 -16.7673 -16.7638 -16.7638 -1.3574 -1.3574 -1.3565 -1.3565 3.7515 3.7515 3.7936 3.7936 6.1114 6.1114 6.1448 6.1448 8.1440 8.1440 8.1606 8.1606 8.3752 8.3752 8.5024 8.5024 9.2110 9.2110 9.2597 9.2597 10.2321 10.2321 10.3219 10.3219 13.4355 13.4355 13.5374 13.5374 15.1178 15.1178 15.2807 15.2807 k = 0.2614 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1650 -50.1650 -50.1650 -50.1650 -24.4997 -24.4997 -24.4990 -24.4990 -16.8474 -16.8474 -16.8462 -16.8462 -16.7691 -16.7691 -16.7656 -16.7656 -1.3487 -1.3487 -1.3477 -1.3477 3.8087 3.8087 3.8520 3.8520 6.1019 6.1019 6.1322 6.1322 8.1510 8.1510 8.1632 8.1632 8.2895 8.2895 8.4211 8.4211 9.1623 9.1623 9.2031 9.2031 10.1900 10.1900 10.2765 10.2765 13.4607 13.4607 13.5592 13.5592 15.1064 15.1064 15.2464 15.2464 k = 0.2727 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1649 -50.1649 -50.1649 -50.1649 -24.5002 -24.5002 -24.4996 -24.4996 -16.8482 -16.8482 -16.8470 -16.8470 -16.7707 -16.7707 -16.7673 -16.7673 -1.3399 -1.3399 -1.3390 -1.3390 3.8682 3.8682 3.9126 3.9126 6.0907 6.0907 6.1177 6.1177 8.1473 8.1473 8.1680 8.1680 8.1935 8.1935 8.3434 8.3434 9.1240 9.1240 9.1552 9.1552 10.1527 10.1527 10.2353 10.2353 13.4854 13.4854 13.5791 13.5791 15.0916 15.0916 15.2074 15.2074 k = 0.2841 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1648 -50.1648 -50.1648 -50.1648 -24.5008 -24.5008 -24.5002 -24.5002 -16.8490 -16.8490 -16.8479 -16.8479 -16.7722 -16.7722 -16.7689 -16.7689 -1.3312 -1.3312 -1.3303 -1.3303 3.9299 3.9299 3.9753 3.9753 6.0780 6.0780 6.1018 6.1018 8.0888 8.0888 8.1105 8.1105 8.1753 8.1753 8.2928 8.2928 9.0942 9.0942 9.1147 9.1147 10.1205 10.1205 10.1987 10.1987 13.5083 13.5083 13.5958 13.5958 15.0761 15.0761 15.1668 15.1668 k = 0.2955 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1647 -50.1647 -50.1647 -50.1647 -24.5013 -24.5013 -24.5007 -24.5007 -16.8500 -16.8500 -16.8490 -16.8490 -16.7735 -16.7735 -16.7703 -16.7703 -1.3226 -1.3226 -1.3217 -1.3217 3.9938 3.9938 4.0400 4.0400 6.0641 6.0641 6.0846 6.0846 7.9779 7.9779 8.0296 8.0296 8.1844 8.1844 8.2821 8.2821 9.0710 9.0710 9.0797 9.0797 10.0936 10.0936 10.1670 10.1670 13.5279 13.5279 13.6078 13.6078 15.0623 15.0623 15.1275 15.1275 k = 0.3068 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1646 -50.1646 -50.1646 -50.1646 -24.5019 -24.5019 -24.5012 -24.5012 -16.8510 -16.8510 -16.8501 -16.8501 -16.7747 -16.7747 -16.7717 -16.7717 -1.3141 -1.3141 -1.3133 -1.3133 4.0596 4.0596 4.1067 4.1067 6.0491 6.0491 6.0665 6.0665 7.8625 7.8625 7.9252 7.9252 8.1951 8.1951 8.2918 8.2918 9.0491 9.0491 9.0527 9.0527 10.0720 10.0720 10.1402 10.1402 13.5428 13.5428 13.6137 13.6137 15.0527 15.0527 15.0921 15.0921 k = 0.3182 0.5000 0.2181 ( 4140 PWs) bands (ev): -50.1645 -50.1645 -50.1645 -50.1645 -24.5023 -24.5023 -24.5017 -24.5017 -16.8521 -16.8521 -16.8513 -16.8513 -16.7757 -16.7757 -16.7728 -16.7728 -1.3059 -1.3059 -1.3051 -1.3051 4.1275 4.1275 4.1751 4.1751 6.0334 6.0334 6.0478 6.0478 7.7441 7.7441 7.8113 7.8113 8.2072 8.2072 8.3088 8.3088 9.0216 9.0216 9.0376 9.0376 10.0559 10.0559 10.1188 10.1188 13.5516 13.5516 13.6122 13.6122 15.0496 15.0496 15.0630 15.0630 k = 0.3295 0.5000 0.2181 ( 4144 PWs) bands (ev): -50.1644 -50.1644 -50.1644 -50.1644 -24.5028 -24.5028 -24.5022 -24.5022 -16.8532 -16.8532 -16.8525 -16.8525 -16.7766 -16.7766 -16.7739 -16.7739 -1.2978 -1.2978 -1.2970 -1.2970 4.1972 4.1972 4.2453 4.2453 6.0173 6.0173 6.0287 6.0287 7.6240 7.6240 7.6932 7.6932 8.2204 8.2204 8.3285 8.3285 8.9965 8.9965 9.0246 9.0246 10.0454 10.0454 10.1028 10.1028 13.5528 13.5528 13.6025 13.6025 15.0425 15.0425 15.0550 15.0550 k = 0.3409 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1643 -50.1643 -50.1643 -50.1643 -24.5032 -24.5032 -24.5027 -24.5027 -16.8543 -16.8543 -16.8537 -16.8537 -16.7773 -16.7773 -16.7748 -16.7748 -1.2900 -1.2900 -1.2893 -1.2893 4.2686 4.2686 4.3170 4.3170 6.0011 6.0011 6.0096 6.0096 7.5032 7.5032 7.5731 7.5731 8.2345 8.2345 8.3490 8.3490 8.9732 8.9732 9.0128 9.0128 10.0404 10.0404 10.0922 10.0922 13.5456 13.5456 13.5841 13.5841 15.0323 15.0323 15.0701 15.0701 k = 0.3523 0.5000 0.2181 ( 4124 PWs) bands (ev): -50.1642 -50.1642 -50.1642 -50.1642 -24.5036 -24.5036 -24.5031 -24.5031 -16.8555 -16.8555 -16.8550 -16.8550 -16.7779 -16.7779 -16.7756 -16.7756 -1.2826 -1.2826 -1.2819 -1.2819 4.3415 4.3415 4.3901 4.3901 5.9850 5.9850 5.9908 5.9908 7.3825 7.3825 7.4526 7.4526 8.2492 8.2492 8.3692 8.3692 8.9513 8.9513 9.0014 9.0014 10.0406 10.0406 10.0870 10.0870 13.5296 13.5296 13.5575 13.5575 15.0337 15.0337 15.0955 15.0955 k = 0.3636 0.5000 0.2181 ( 4128 PWs) bands (ev): -50.1641 -50.1641 -50.1641 -50.1641 -24.5041 -24.5041 -24.5035 -24.5035 -16.8568 -16.8568 -16.8563 -16.8563 -16.7784 -16.7784 -16.7763 -16.7763 -1.2755 -1.2755 -1.2749 -1.2749 4.4157 4.4157 4.4643 4.4643 5.9695 5.9695 5.9727 5.9727 7.2625 7.2625 7.3324 7.3324 8.2643 8.2643 8.3884 8.3884 8.9308 8.9308 8.9899 8.9899 10.0457 10.0457 10.0868 10.0868 13.5052 13.5052 13.5235 13.5235 15.0469 15.0469 15.1310 15.1310 k = 0.3750 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1640 -50.1640 -50.1640 -50.1640 -24.5045 -24.5045 -24.5040 -24.5040 -16.8580 -16.8580 -16.8577 -16.8577 -16.7789 -16.7789 -16.7769 -16.7769 -1.2688 -1.2688 -1.2682 -1.2682 4.4910 4.4910 4.5392 4.5392 5.9548 5.9548 5.9555 5.9555 7.1440 7.1440 7.2134 7.2134 8.2797 8.2797 8.4062 8.4062 8.9116 8.9116 8.9781 8.9781 10.0552 10.0552 10.0913 10.0913 13.4733 13.4733 13.4836 13.4836 15.0716 15.0716 15.1762 15.1762 k = 0.3864 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5048 -24.5048 -24.5044 -24.5044 -16.8592 -16.8592 -16.8589 -16.8589 -16.7792 -16.7792 -16.7774 -16.7774 -1.2626 -1.2626 -1.2620 -1.2620 4.5669 4.5669 4.6146 4.6146 5.9394 5.9394 5.9413 5.9413 7.0275 7.0275 7.0963 7.0963 8.2952 8.2952 8.4222 8.4222 8.8938 8.8938 8.9658 8.9658 10.0684 10.0684 10.0999 10.0999 13.4356 13.4356 13.4395 13.4395 15.1069 15.1069 15.2298 15.2298 k = 0.3977 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1638 -50.1638 -50.1638 -50.1638 -24.5052 -24.5052 -24.5048 -24.5048 -16.8603 -16.8603 -16.8601 -16.8601 -16.7795 -16.7795 -16.7779 -16.7779 -1.2568 -1.2568 -1.2563 -1.2563 4.6431 4.6431 4.6898 4.6898 5.9250 5.9250 5.9292 5.9292 6.9137 6.9137 6.9815 6.9815 8.3108 8.3108 8.4359 8.4359 8.8776 8.8776 8.9529 8.9529 10.0847 10.0847 10.1118 10.1118 13.3929 13.3929 13.3938 13.3938 15.1514 15.1514 15.2907 15.2907 k = 0.4091 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1638 -50.1638 -50.1638 -50.1638 -24.5055 -24.5055 -24.5051 -24.5051 -16.8614 -16.8614 -16.8612 -16.8612 -16.7797 -16.7797 -16.7783 -16.7783 -1.2515 -1.2515 -1.2511 -1.2511 4.7189 4.7189 4.7642 4.7642 5.9124 5.9124 5.9191 5.9191 6.8033 6.8033 6.8698 6.8698 8.3263 8.3263 8.4471 8.4471 8.8634 8.8634 8.9396 8.9396 10.1030 10.1030 10.1262 10.1262 13.3456 13.3456 13.3499 13.3499 15.2037 15.2037 15.3574 15.3574 k = 0.4205 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5057 -24.5057 -24.5054 -24.5054 -16.8623 -16.8623 -16.8622 -16.8622 -16.7798 -16.7798 -16.7786 -16.7786 -1.2468 -1.2468 -1.2464 -1.2464 4.7935 4.7935 4.8368 4.8368 5.9021 5.9021 5.9112 5.9112 6.6972 6.6972 6.7620 6.7620 8.3416 8.3416 8.4555 8.4555 8.8515 8.8515 8.9261 8.9261 10.1226 10.1226 10.1421 10.1421 13.2995 13.2995 13.3058 13.3058 15.2623 15.2623 15.4285 15.4285 k = 0.4318 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5060 -24.5060 -24.5057 -24.5057 -16.8632 -16.8632 -16.8632 -16.8632 -16.7799 -16.7799 -16.7789 -16.7789 -1.2426 -1.2426 -1.2423 -1.2423 4.8659 4.8659 4.9063 4.9063 5.8944 5.8944 5.9059 5.9059 6.5966 6.5966 6.6590 6.6590 8.3568 8.3568 8.4611 8.4611 8.8420 8.8420 8.9125 8.9125 10.1423 10.1423 10.1584 10.1584 13.2561 13.2561 13.2633 13.2633 15.3256 15.3256 15.5021 15.5021 k = 0.4432 0.5000 0.2181 ( 4132 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5061 -24.5061 -24.5059 -24.5059 -16.8640 -16.8640 -16.8639 -16.8639 -16.7799 -16.7799 -16.7791 -16.7791 -1.2391 -1.2391 -1.2388 -1.2388 4.9345 4.9345 4.9712 4.9712 5.8899 5.8899 5.9037 5.9037 6.5030 6.5030 6.5621 6.5621 8.3716 8.3716 8.4637 8.4637 8.8353 8.8353 8.8990 8.8990 10.1613 10.1613 10.1743 10.1743 13.2168 13.2168 13.2241 13.2241 15.3922 15.3922 15.5759 15.5759 k = 0.4545 0.5000 0.2181 ( 4128 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5062 -24.5062 -24.5061 -24.5061 -16.8646 -16.8646 -16.8646 -16.8646 -16.7799 -16.7799 -16.7792 -16.7792 -1.2361 -1.2361 -1.2359 -1.2359 4.9975 4.9975 5.0293 5.0293 5.8889 5.8889 5.9045 5.9045 6.4187 6.4187 6.4728 6.4728 8.3861 8.3861 8.4633 8.4633 8.8316 8.8316 8.8859 8.8859 10.1786 10.1786 10.1887 10.1887 13.1830 13.1830 13.1897 13.1897 15.4607 15.4607 15.6463 15.6463 k = 0.4659 0.5000 0.2181 ( 4128 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5064 -24.5064 -24.5062 -24.5062 -16.8652 -16.8652 -16.8651 -16.8651 -16.7798 -16.7798 -16.7793 -16.7793 -1.2338 -1.2338 -1.2336 -1.2336 5.0523 5.0523 5.0780 5.0780 5.8918 5.8918 5.9079 5.9079 6.3468 6.3468 6.3936 6.3936 8.4000 8.4000 8.4601 8.4601 8.8307 8.8307 8.8736 8.8736 10.1933 10.1933 10.2007 10.2007 13.1558 13.1558 13.1612 13.1612 15.5292 15.5292 15.7063 15.7063 k = 0.4773 0.5000 0.2181 ( 4124 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8655 -16.8655 -16.8655 -16.8655 -16.7798 -16.7798 -16.7795 -16.7795 -1.2321 -1.2321 -1.2320 -1.2320 5.0962 5.0962 5.1143 5.1143 5.8981 5.8981 5.9125 5.9125 6.2920 6.2920 6.3277 6.3277 8.4133 8.4133 8.4544 8.4544 8.8325 8.8325 8.8622 8.8622 10.2047 10.2047 10.2095 10.2095 13.1360 13.1360 13.1398 13.1398 15.5959 15.5959 15.7431 15.7431 k = 0.4886 0.5000 0.2181 ( 4128 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5064 -24.5064 -16.8658 -16.8658 -16.8658 -16.8658 -16.7797 -16.7797 -16.7796 -16.7796 -1.2311 -1.2311 -1.2311 -1.2311 5.1260 5.1260 5.1354 5.1354 5.9062 5.9062 5.9151 5.9151 6.2600 6.2600 6.2799 6.2799 8.4257 8.4257 8.4466 8.4466 8.8369 8.8369 8.8521 8.8521 10.2122 10.2122 10.2146 10.2146 13.1243 13.1243 13.1262 13.1262 15.6578 15.6578 15.7430 15.7430 k = 0.5000 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8659 -16.8659 -16.8659 -16.8659 -16.7797 -16.7797 -16.7797 -16.7797 -1.2308 -1.2308 -1.2308 -1.2308 5.1395 5.1395 5.1395 5.1395 5.9130 5.9130 5.9130 5.9130 6.2559 6.2559 6.2559 6.2559 8.4368 8.4368 8.4368 8.4368 8.8435 8.8435 8.8435 8.8435 10.2155 10.2155 10.2155 10.2155 13.1210 13.1210 13.1210 13.1210 15.7100 15.7100 15.7100 15.7100 k = 0.5000 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8659 -16.8659 -16.8659 -16.8659 -16.7797 -16.7797 -16.7797 -16.7797 -1.2308 -1.2308 -1.2308 -1.2308 5.1395 5.1395 5.1395 5.1395 5.9130 5.9130 5.9130 5.9130 6.2559 6.2559 6.2559 6.2559 8.4368 8.4368 8.4368 8.4368 8.8435 8.8435 8.8435 8.8435 10.2155 10.2155 10.2155 10.2155 13.1210 13.1210 13.1210 13.1210 15.7100 15.7100 15.7100 15.7100 k = 0.4919 0.4919 0.2181 ( 4128 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5064 -24.5064 -16.8658 -16.8658 -16.8658 -16.8658 -16.7797 -16.7797 -16.7796 -16.7796 -1.2319 -1.2319 -1.2303 -1.2303 5.1197 5.1197 5.1419 5.1419 5.9048 5.9048 5.9164 5.9164 6.2589 6.2589 6.2813 6.2813 8.4255 8.4255 8.4468 8.4468 8.8368 8.8368 8.8522 8.8522 10.2105 10.2105 10.2162 10.2162 13.1242 13.1242 13.1263 13.1263 15.6569 15.6569 15.7447 15.7447 k = 0.4839 0.4839 0.2181 ( 4128 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5063 -24.5063 -16.8655 -16.8655 -16.8655 -16.8655 -16.7798 -16.7798 -16.7795 -16.7795 -1.2352 -1.2352 -1.2290 -1.2290 5.0669 5.0669 5.1458 5.1458 5.8883 5.8883 5.9195 5.9195 6.2836 6.2836 6.3367 6.3367 8.4120 8.4120 8.4558 8.4558 8.8317 8.8317 8.8631 8.8631 10.1963 10.1963 10.2176 10.2176 13.1356 13.1356 13.1404 13.1404 15.5920 15.5920 15.7586 15.7586 k = 0.4758 0.4758 0.2181 ( 4120 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5063 -24.5063 -24.5062 -24.5062 -16.8651 -16.8651 -16.8651 -16.8651 -16.7798 -16.7798 -16.7793 -16.7793 -1.2407 -1.2407 -1.2268 -1.2268 4.9882 4.9882 5.1522 5.1522 5.8653 5.8653 5.9243 5.9243 6.3225 6.3225 6.4182 6.4182 8.3959 8.3959 8.4644 8.4644 8.8281 8.8281 8.8765 8.8765 10.1734 10.1734 10.2199 10.2199 13.1548 13.1548 13.1628 13.1628 15.5211 15.5211 15.7549 15.7549 k = 0.4677 0.4677 0.2181 ( 4130 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5063 -24.5063 -24.5061 -24.5061 -16.8646 -16.8646 -16.8646 -16.8646 -16.7799 -16.7799 -16.7792 -16.7792 -1.2484 -1.2484 -1.2238 -1.2238 4.8920 4.8920 5.1612 5.1612 5.8389 5.8389 5.9308 5.9308 6.3703 6.3703 6.5188 6.5188 8.3769 8.3769 8.4731 8.4731 8.8258 8.8258 8.8927 8.8927 10.1425 10.1425 10.2232 10.2232 13.1811 13.1811 13.1925 13.1925 15.4481 15.4481 15.7377 15.7377 k = 0.4597 0.4597 0.2181 ( 4134 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5061 -24.5061 -24.5059 -24.5059 -16.8640 -16.8640 -16.8639 -16.8639 -16.7799 -16.7799 -16.7791 -16.7791 -1.2583 -1.2583 -1.2200 -1.2200 4.7845 4.7845 5.1727 5.1727 5.8119 5.8119 5.9394 5.9394 6.4240 6.4240 6.6324 6.6324 8.3549 8.3549 8.4821 8.4821 8.8243 8.8243 8.9122 8.9122 10.1050 10.1050 10.2273 10.2273 13.2139 13.2139 13.2284 13.2284 15.3759 15.3759 15.7074 15.7074 k = 0.4516 0.4516 0.2181 ( 4126 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5059 -24.5059 -24.5056 -24.5056 -16.8631 -16.8631 -16.8630 -16.8630 -16.7799 -16.7799 -16.7789 -16.7789 -1.2704 -1.2704 -1.2154 -1.2154 4.6700 4.6700 5.1868 5.1868 5.7859 5.7859 5.9499 5.9499 6.4818 6.4818 6.7541 6.7541 8.3299 8.3299 8.4917 8.4917 8.8234 8.8234 8.9351 8.9351 10.0621 10.0621 10.2324 10.2324 13.2525 13.2525 13.2691 13.2691 15.3066 15.3066 15.6632 15.6632 k = 0.4435 0.4435 0.2181 ( 4122 PWs) bands (ev): -50.1637 -50.1637 -50.1637 -50.1637 -24.5057 -24.5057 -24.5053 -24.5053 -16.8621 -16.8621 -16.8620 -16.8620 -16.7799 -16.7799 -16.7787 -16.7787 -1.2847 -1.2847 -1.2101 -1.2101 4.5511 4.5511 5.2035 5.2035 5.7622 5.7622 5.9623 5.9623 6.5426 6.5426 6.8804 6.8804 8.3025 8.3025 8.5019 8.5019 8.8225 8.8225 8.9620 8.9620 10.0156 10.0156 10.2385 10.2385 13.2958 13.2958 13.3128 13.3128 15.2417 15.2417 15.6099 15.6099 k = 0.4355 0.4355 0.2181 ( 4126 PWs) bands (ev): -50.1638 -50.1638 -50.1638 -50.1638 -24.5054 -24.5054 -24.5050 -24.5050 -16.8609 -16.8609 -16.8608 -16.8608 -16.7798 -16.7798 -16.7785 -16.7785 -1.3011 -1.3011 -1.2040 -1.2040 4.4299 4.4299 5.2227 5.2227 5.7414 5.7414 5.9767 5.9767 6.6057 6.6057 7.0086 7.0086 8.2736 8.2736 8.5128 8.5128 8.8207 8.8207 8.9930 8.9930 9.9670 9.9670 10.2455 10.2455 13.3428 13.3428 13.3581 13.3581 15.1828 15.1828 15.5527 15.5527 k = 0.4274 0.4274 0.2181 ( 4126 PWs) bands (ev): -50.1639 -50.1639 -50.1638 -50.1638 -24.5051 -24.5051 -24.5046 -24.5046 -16.8597 -16.8597 -16.8595 -16.8595 -16.7798 -16.7798 -16.7782 -16.7782 -1.3196 -1.3196 -1.1974 -1.1974 4.3074 4.3074 5.2444 5.2444 5.7242 5.7242 5.9929 5.9929 6.6706 6.6706 7.1359 7.1359 8.2446 8.2446 8.5244 8.5244 8.8172 8.8172 9.0286 9.0286 9.9183 9.9183 10.2534 10.2534 13.3919 13.3919 13.4036 13.4036 15.1312 15.1312 15.4937 15.4937 k = 0.4194 0.4194 0.2181 ( 4122 PWs) bands (ev): -50.1639 -50.1639 -50.1639 -50.1639 -24.5047 -24.5047 -24.5042 -24.5042 -16.8583 -16.8583 -16.8581 -16.8581 -16.7797 -16.7797 -16.7779 -16.7779 -1.3402 -1.3402 -1.1901 -1.1901 4.1846 4.1846 5.2687 5.2687 5.7109 5.7109 6.0111 6.0111 6.7367 6.7367 7.2594 7.2594 8.2176 8.2176 8.5365 8.5365 8.8110 8.8110 9.0691 9.0691 9.8712 9.8712 10.2623 10.2623 13.4406 13.4406 13.4489 13.4489 15.0883 15.0883 15.4338 15.4338 k = 0.4113 0.4113 0.2181 ( 4118 PWs) bands (ev): -50.1640 -50.1640 -50.1640 -50.1640 -24.5043 -24.5043 -24.5038 -24.5038 -16.8567 -16.8567 -16.8565 -16.8565 -16.7796 -16.7796 -16.7776 -16.7776 -1.3628 -1.3628 -1.1824 -1.1824 4.0621 4.0621 5.2956 5.2956 5.7018 5.7018 6.0312 6.0312 6.8038 6.8038 7.3752 7.3752 8.1959 8.1959 8.5490 8.5490 8.8011 8.8011 9.1150 9.1150 9.8278 9.8278 10.2722 10.2722 13.4841 13.4841 13.4962 13.4962 15.0553 15.0553 15.3735 15.3735 k = 0.4032 0.4032 0.2181 ( 4122 PWs) bands (ev): -50.1641 -50.1641 -50.1641 -50.1641 -24.5040 -24.5040 -24.5033 -24.5033 -16.8550 -16.8550 -16.8548 -16.8548 -16.7795 -16.7795 -16.7773 -16.7773 -1.3874 -1.3874 -1.1742 -1.1742 3.9403 3.9403 5.3250 5.3250 5.6970 5.6970 6.0532 6.0532 6.8716 6.8716 7.4776 7.4776 8.1847 8.1847 8.5614 8.5614 8.7865 8.7865 9.1667 9.1667 9.7898 9.7898 10.2830 10.2830 13.5217 13.5217 13.5438 13.5438 15.0333 15.0333 15.3130 15.3130 k = 0.3952 0.3952 0.2181 ( 4128 PWs) bands (ev): -50.1642 -50.1642 -50.1642 -50.1642 -24.5035 -24.5035 -24.5029 -24.5029 -16.8532 -16.8532 -16.8530 -16.8530 -16.7794 -16.7794 -16.7770 -16.7770 -1.4140 -1.4140 -1.1657 -1.1657 3.8196 3.8196 5.3569 5.3569 5.6968 5.6968 6.0770 6.0770 6.9397 6.9397 7.5591 7.5591 8.1907 8.1907 8.5730 8.5730 8.7672 8.7672 9.2247 9.2247 9.7585 9.7585 10.2947 10.2947 13.5544 13.5544 13.5888 13.5888 15.0226 15.0226 15.2531 15.2531 k = 0.3871 0.3871 0.2181 ( 4140 PWs) bands (ev): -50.1643 -50.1643 -50.1643 -50.1643 -24.5032 -24.5032 -24.5024 -24.5024 -16.8512 -16.8512 -16.8511 -16.8511 -16.7793 -16.7793 -16.7767 -16.7767 -1.4425 -1.4425 -1.1570 -1.1570 3.7002 3.7002 5.3913 5.3913 5.7013 5.7013 6.1027 6.1027 7.0081 7.0081 7.6125 7.6125 8.2206 8.2206 8.5819 8.5819 8.7448 8.7448 9.2895 9.2895 9.7350 9.7350 10.3074 10.3074 13.5824 13.5824 13.6297 13.6297 15.0222 15.0222 15.1957 15.1957 k = 0.3790 0.3790 0.2181 ( 4144 PWs) bands (ev): -50.1644 -50.1644 -50.1644 -50.1644 -24.5027 -24.5027 -24.5019 -24.5019 -16.8492 -16.8492 -16.8490 -16.8490 -16.7792 -16.7792 -16.7764 -16.7764 -1.4728 -1.4728 -1.1481 -1.1481 3.5825 3.5825 5.4282 5.4282 5.7105 5.7105 6.1302 6.1302 7.0764 7.0764 7.6359 7.6359 8.2750 8.2750 8.5845 8.5845 8.7236 8.7236 9.3615 9.3615 9.7197 9.7197 10.3209 10.3209 13.6060 13.6060 13.6659 13.6659 15.0246 15.0246 15.1483 15.1483 k = 0.3710 0.3710 0.2181 ( 4136 PWs) bands (ev): -50.1645 -50.1645 -50.1645 -50.1645 -24.5021 -24.5021 -24.5012 -24.5012 -16.8469 -16.8469 -16.8467 -16.8467 -16.7790 -16.7790 -16.7760 -16.7760 -1.5048 -1.5048 -1.1391 -1.1391 3.4665 3.4665 5.4676 5.4676 5.7244 5.7244 6.1596 6.1596 7.1445 7.1445 7.6344 7.6344 8.3456 8.3456 8.5759 8.5759 8.7119 8.7119 9.4411 9.4411 9.7122 9.7122 10.3354 10.3354 13.6257 13.6257 13.6975 13.6975 15.0062 15.0062 15.1340 15.1340 k = 0.3629 0.3629 0.2181 ( 4136 PWs) bands (ev): -50.1646 -50.1646 -50.1646 -50.1646 -24.5015 -24.5015 -24.5006 -24.5006 -16.8445 -16.8445 -16.8443 -16.8443 -16.7788 -16.7788 -16.7756 -16.7756 -1.5385 -1.5385 -1.1301 -1.1301 3.3525 3.3525 5.5095 5.5095 5.7430 5.7430 6.1908 6.1908 7.2120 7.2120 7.6162 7.6162 8.4128 8.4128 8.5631 8.5631 8.7147 8.7147 9.5287 9.5287 9.7119 9.7119 10.3508 10.3508 13.6420 13.6420 13.7251 13.7251 14.9573 14.9573 15.1611 15.1611 k = 0.3548 0.3548 0.2181 ( 4140 PWs) bands (ev): -50.1648 -50.1648 -50.1648 -50.1648 -24.5010 -24.5010 -24.5000 -24.5000 -16.8421 -16.8421 -16.8418 -16.8418 -16.7786 -16.7786 -16.7752 -16.7752 -1.5737 -1.5737 -1.1213 -1.1213 3.2405 3.2405 5.5539 5.5539 5.7664 5.7664 6.2238 6.2238 7.2787 7.2787 7.5880 7.5880 8.4306 8.4306 8.5878 8.5878 8.7310 8.7310 9.6243 9.6243 9.7175 9.7175 10.3670 10.3670 13.6556 13.6556 13.7501 13.7501 14.8951 14.8951 15.2098 15.2098 k = 0.3468 0.3468 0.2181 ( 4140 PWs) bands (ev): -50.1649 -50.1649 -50.1649 -50.1649 -24.5003 -24.5003 -24.4993 -24.4993 -16.8395 -16.8395 -16.8393 -16.8393 -16.7784 -16.7784 -16.7748 -16.7748 -1.6105 -1.6105 -1.1128 -1.1128 3.1307 3.1307 5.6007 5.6007 5.7944 5.7944 6.2585 6.2585 7.3438 7.3438 7.5547 7.5547 8.3933 8.3933 8.6517 8.6517 8.7619 8.7619 9.7236 9.7236 9.7321 9.7321 10.3841 10.3841 13.6674 13.6674 13.7740 13.7740 14.8276 14.8276 15.2676 15.2676 k = 0.3387 0.3387 0.2181 ( 4142 PWs) bands (ev): -50.1650 -50.1650 -50.1650 -50.1650 -24.4997 -24.4997 -24.4986 -24.4986 -16.8369 -16.8369 -16.8366 -16.8366 -16.7781 -16.7781 -16.7743 -16.7743 -1.6486 -1.6486 -1.1046 -1.1046 3.0232 3.0232 5.6499 5.6499 5.8269 5.8269 6.2951 6.2951 7.4057 7.4057 7.5203 7.5203 8.3376 8.3376 8.7081 8.7081 8.8166 8.8166 9.7414 9.7414 9.8390 9.8390 10.4022 10.4022 13.6780 13.6780 13.7984 13.7984 14.7568 14.7568 15.2821 15.2821 k = 0.3306 0.3306 0.2181 ( 4140 PWs) bands (ev): -50.1652 -50.1652 -50.1652 -50.1652 -24.4990 -24.4990 -24.4979 -24.4979 -16.8341 -16.8341 -16.8337 -16.8337 -16.7779 -16.7779 -16.7739 -16.7739 -1.6880 -1.6880 -1.0968 -1.0968 2.9180 2.9180 5.7016 5.7016 5.8639 5.8639 6.3334 6.3334 7.4498 7.4498 7.5004 7.5004 8.2764 8.2764 8.7462 8.7462 8.8937 8.8937 9.7579 9.7579 9.9561 9.9561 10.4212 10.4212 13.6884 13.6884 13.8250 13.8250 14.6833 14.6833 15.2312 15.2312 k = 0.3226 0.3226 0.2181 ( 4142 PWs) bands (ev): -50.1653 -50.1653 -50.1653 -50.1653 -24.4983 -24.4983 -24.4972 -24.4972 -16.8312 -16.8312 -16.8308 -16.8308 -16.7776 -16.7776 -16.7734 -16.7734 -1.7285 -1.7285 -1.0896 -1.0896 2.8154 2.8154 5.7556 5.7556 5.9051 5.9051 6.3734 6.3734 7.4319 7.4319 7.5393 7.5393 8.2147 8.2147 8.7764 8.7764 8.9794 8.9794 9.7759 9.7759 10.0784 10.0784 10.4415 10.4415 13.6995 13.6995 13.8546 13.8546 14.6074 14.6074 15.1770 15.1770 k = 0.3145 0.3145 0.2181 ( 4150 PWs) bands (ev): -50.1655 -50.1655 -50.1655 -50.1655 -24.4977 -24.4977 -24.4964 -24.4964 -16.8283 -16.8283 -16.8279 -16.8279 -16.7773 -16.7773 -16.7729 -16.7729 -1.7701 -1.7701 -1.0831 -1.0831 2.7154 2.7154 5.8119 5.8119 5.9503 5.9503 6.4151 6.4151 7.3979 7.3979 7.5897 7.5897 8.1566 8.1566 8.8048 8.8048 9.0668 9.0668 9.7946 9.7946 10.2039 10.2039 10.4637 10.4637 13.7121 13.7121 13.8881 13.8881 14.5294 14.5294 15.1215 15.1215 k = 0.3065 0.3065 0.2181 ( 4146 PWs) bands (ev): -50.1656 -50.1656 -50.1656 -50.1656 -24.4969 -24.4969 -24.4956 -24.4956 -16.8252 -16.8252 -16.8247 -16.8247 -16.7770 -16.7770 -16.7724 -16.7724 -1.8126 -1.8126 -1.0774 -1.0774 2.6180 2.6180 5.8705 5.8705 5.9992 5.9992 6.4584 6.4584 7.3637 7.3637 7.6325 7.6325 8.1074 8.1074 8.8332 8.8332 9.1536 9.1536 9.8133 9.8133 10.3284 10.3284 10.4909 10.4909 13.7272 13.7272 13.9256 13.9256 14.4497 14.4497 15.0652 15.0652 k = 0.2984 0.2984 0.2181 ( 4150 PWs) bands (ev): -50.1658 -50.1658 -50.1658 -50.1658 -24.4961 -24.4961 -24.4949 -24.4949 -16.8221 -16.8221 -16.8216 -16.8216 -16.7766 -16.7766 -16.7720 -16.7720 -1.8559 -1.8559 -1.0725 -1.0725 2.5233 2.5233 5.9313 5.9313 6.0515 6.0515 6.5035 6.5035 7.3313 7.3313 7.6601 7.6601 8.0743 8.0743 8.8623 8.8623 9.2394 9.2394 9.8317 9.8317 10.4352 10.4352 10.5382 10.5382 13.7455 13.7455 13.9662 13.9662 14.3696 14.3696 15.0080 15.0080 k = 0.2903 0.2903 0.2181 ( 4162 PWs) bands (ev): -50.1659 -50.1659 -50.1659 -50.1659 -24.4954 -24.4954 -24.4941 -24.4941 -16.8190 -16.8190 -16.8184 -16.8184 -16.7763 -16.7763 -16.7715 -16.7715 -1.8999 -1.8999 -1.0687 -1.0687 2.4314 2.4314 5.9944 5.9944 6.1067 6.1067 6.5500 6.5500 7.3013 7.3013 7.6656 7.6656 8.0647 8.0647 8.8923 8.8923 9.3239 9.3239 9.8494 9.8494 10.4917 10.4917 10.6371 10.6371 13.7675 13.7675 14.0069 14.0069 14.2924 14.2924 14.9501 14.9501 k = 0.2823 0.2823 0.2181 ( 4154 PWs) bands (ev): -50.1661 -50.1661 -50.1661 -50.1661 -24.4946 -24.4946 -24.4933 -24.4933 -16.8158 -16.8158 -16.8151 -16.8151 -16.7758 -16.7758 -16.7709 -16.7709 -1.9444 -1.9444 -1.0658 -1.0658 2.3424 2.3424 6.0595 6.0595 6.1641 6.1641 6.5982 6.5982 7.2744 7.2744 7.6479 7.6479 8.0808 8.0808 8.9234 8.9234 9.4072 9.4072 9.8661 9.8661 10.5214 10.5214 10.7626 10.7626 13.7933 13.7933 14.0358 14.0358 14.2307 14.2307 14.8916 14.8916 k = 0.2742 0.2742 0.2181 ( 4150 PWs) bands (ev): -50.1662 -50.1662 -50.1662 -50.1662 -24.4938 -24.4938 -24.4924 -24.4924 -16.8125 -16.8125 -16.8117 -16.8117 -16.7754 -16.7754 -16.7704 -16.7704 -1.9894 -1.9894 -1.0641 -1.0641 2.2562 2.2562 6.1267 6.1267 6.2231 6.2231 6.6478 6.6478 7.2507 7.2507 7.6137 7.6137 8.1167 8.1167 8.9556 8.9556 9.4893 9.4893 9.8818 9.8818 10.5452 10.5452 10.8926 10.8926 13.8209 13.8209 14.0227 14.0227 14.2167 14.2167 14.8325 14.8325 k = 0.2661 0.2661 0.2181 ( 4150 PWs) bands (ev): -50.1664 -50.1664 -50.1664 -50.1664 -24.4930 -24.4930 -24.4916 -24.4916 -16.8092 -16.8092 -16.8082 -16.8082 -16.7749 -16.7749 -16.7699 -16.7699 -2.0346 -2.0346 -1.0636 -1.0636 2.1730 2.1730 6.1958 6.1958 6.2826 6.2826 6.6988 6.6988 7.2306 7.2306 7.5716 7.5716 8.1650 8.1650 8.9891 8.9891 9.5701 9.5701 9.8965 9.8965 10.5669 10.5669 11.0221 11.0221 13.8396 13.8396 13.9746 13.9746 14.2543 14.2543 14.7728 14.7728 k = 0.2581 0.2581 0.2181 ( 4142 PWs) bands (ev): -50.1666 -50.1666 -50.1665 -50.1665 -24.4921 -24.4921 -24.4907 -24.4907 -16.8059 -16.8059 -16.8047 -16.8047 -16.7744 -16.7744 -16.7693 -16.7693 -2.0800 -2.0800 -1.0643 -1.0643 2.0928 2.0928 6.2664 6.2664 6.3415 6.3415 6.7511 6.7511 7.2144 7.2144 7.5285 7.5285 8.2205 8.2205 9.0238 9.0238 9.6495 9.6495 9.9103 9.9103 10.5874 10.5874 11.1490 11.1490 13.8083 13.8083 13.9623 13.9623 14.3130 14.3130 14.7111 14.7111 k = 0.2500 0.2500 0.2181 ( 4148 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4899 -24.4899 -16.8026 -16.8026 -16.8013 -16.8013 -16.7738 -16.7738 -16.7688 -16.7688 -2.1255 -2.1255 -1.0664 -1.0664 2.0157 2.0157 6.3377 6.3377 6.3988 6.3988 6.8046 6.8046 7.2023 7.2023 7.4893 7.4893 8.2800 8.2800 9.0597 9.0597 9.7273 9.7273 9.9235 9.9235 10.6070 10.6070 11.2721 11.2721 13.7261 13.7261 13.9988 13.9988 14.3788 14.3788 14.6268 14.6268 k = 0.2419 0.2419 0.2181 ( 4140 PWs) bands (ev): -50.1669 -50.1669 -50.1669 -50.1669 -24.4905 -24.4905 -24.4890 -24.4890 -16.7993 -16.7993 -16.7978 -16.7978 -16.7732 -16.7732 -16.7682 -16.7682 -2.1708 -2.1708 -1.0697 -1.0697 1.9415 1.9415 6.4063 6.4063 6.4552 6.4552 6.8590 6.8590 7.1947 7.1947 7.4579 7.4579 8.3420 8.3420 9.0970 9.0970 9.8027 9.8027 9.9364 9.9364 10.6255 10.6255 11.3904 11.3904 13.6274 13.6274 14.0528 14.0528 14.4391 14.4391 14.5128 14.5128 k = 0.2339 0.2339 0.2181 ( 4142 PWs) bands (ev): -50.1670 -50.1670 -50.1670 -50.1670 -24.4897 -24.4897 -24.4881 -24.4881 -16.7960 -16.7960 -16.7942 -16.7942 -16.7726 -16.7726 -16.7676 -16.7676 -2.2160 -2.2160 -1.0743 -1.0743 1.8705 1.8705 6.4629 6.4629 6.5175 6.5175 6.9140 6.9140 7.1919 7.1919 7.4381 7.4381 8.4054 8.4054 9.1354 9.1354 9.8745 9.8745 9.9505 9.9505 10.6428 10.6428 11.5034 11.5034 13.5217 13.5217 14.1141 14.1141 14.3795 14.3795 14.4914 14.4914 k = 0.2258 0.2258 0.2181 ( 4150 PWs) bands (ev): -50.1672 -50.1672 -50.1672 -50.1672 -24.4889 -24.4889 -24.4873 -24.4873 -16.7928 -16.7928 -16.7907 -16.7907 -16.7719 -16.7719 -16.7671 -16.7671 -2.2608 -2.2608 -1.0803 -1.0803 1.8025 1.8025 6.4995 6.4995 6.5906 6.5906 6.9691 6.9691 7.1947 7.1947 7.4329 7.4329 8.4695 8.4695 9.1751 9.1751 9.9344 9.9344 9.9735 9.9735 10.6586 10.6586 11.6104 11.6104 13.4119 13.4119 14.1667 14.1667 14.2796 14.2796 14.4617 14.4617 k = 0.2177 0.2177 0.2181 ( 4146 PWs) bands (ev): -50.1674 -50.1674 -50.1673 -50.1673 -24.4880 -24.4880 -24.4865 -24.4865 -16.7897 -16.7897 -16.7872 -16.7872 -16.7711 -16.7711 -16.7666 -16.7666 -2.3052 -2.3052 -1.0875 -1.0875 1.7375 1.7375 6.5185 6.5185 6.6699 6.6699 7.0236 7.0236 7.2039 7.2039 7.4447 7.4447 8.5338 8.5338 9.2159 9.2159 9.9619 9.9619 10.0258 10.0258 10.6728 10.6728 11.7112 11.7112 13.2988 13.2988 14.1178 14.1178 14.2887 14.2887 14.4122 14.4122 k = 0.2097 0.2097 0.2181 ( 4158 PWs) bands (ev): -50.1675 -50.1675 -50.1675 -50.1675 -24.4873 -24.4873 -24.4858 -24.4858 -16.7868 -16.7868 -16.7837 -16.7837 -16.7701 -16.7701 -16.7661 -16.7661 -2.3490 -2.3490 -1.0960 -1.0960 1.6756 1.6756 6.5220 6.5220 6.7527 6.7527 7.0761 7.0761 7.2212 7.2212 7.4740 7.4740 8.5981 8.5981 9.2579 9.2579 9.9771 9.9771 10.0867 10.0867 10.6851 10.6851 11.8057 11.8057 13.1831 13.1831 14.0144 14.0144 14.3467 14.3467 14.3749 14.3749 k = 0.2016 0.2016 0.2181 ( 4170 PWs) bands (ev): -50.1677 -50.1677 -50.1677 -50.1677 -24.4865 -24.4865 -24.4850 -24.4850 -16.7841 -16.7841 -16.7802 -16.7802 -16.7690 -16.7690 -16.7656 -16.7656 -2.3921 -2.3921 -1.1057 -1.1057 1.6168 1.6168 6.5120 6.5120 6.8379 6.8379 7.1245 7.1245 7.2486 7.2486 7.5196 7.5196 8.6620 8.6620 9.3010 9.3010 9.9912 9.9912 10.1445 10.1445 10.6951 10.6951 11.8940 11.8940 13.0653 13.0653 13.9118 13.9118 14.3051 14.3051 14.4461 14.4461 k = 0.1935 0.1935 0.2181 ( 4170 PWs) bands (ev): -50.1679 -50.1679 -50.1678 -50.1678 -24.4857 -24.4857 -24.4842 -24.4842 -16.7816 -16.7816 -16.7768 -16.7768 -16.7677 -16.7677 -16.7651 -16.7651 -2.4344 -2.4344 -1.1165 -1.1165 1.5609 1.5609 6.4910 6.4910 6.9250 6.9250 7.1674 7.1674 7.2877 7.2877 7.5791 7.5791 8.7253 8.7253 9.3450 9.3450 10.0060 10.0060 10.1968 10.1968 10.7025 10.7025 11.9761 11.9761 12.9457 12.9457 13.8158 13.8158 14.2562 14.2562 14.5275 14.5275 k = 0.1855 0.1855 0.2181 ( 4170 PWs) bands (ev): -50.1680 -50.1680 -50.1680 -50.1680 -24.4849 -24.4849 -24.4834 -24.4834 -16.7794 -16.7794 -16.7734 -16.7734 -16.7661 -16.7661 -16.7645 -16.7645 -2.4759 -2.4759 -1.1283 -1.1283 1.5080 1.5080 6.4619 6.4619 7.0135 7.0135 7.2061 7.2061 7.3374 7.3374 7.6497 7.6497 8.7878 8.7878 9.3899 9.3899 10.0221 10.0221 10.2421 10.2421 10.7072 10.7072 12.0524 12.0524 12.8249 12.8249 13.7286 13.7286 14.2096 14.2096 14.6066 14.6066 k = 0.1774 0.1774 0.2181 ( 4164 PWs) bands (ev): -50.1681 -50.1681 -50.1681 -50.1681 -24.4841 -24.4841 -24.4826 -24.4826 -16.7775 -16.7775 -16.7701 -16.7701 -16.7645 -16.7645 -16.7635 -16.7635 -2.5163 -2.5163 -1.1410 -1.1410 1.4579 1.4579 6.4271 6.4271 7.1025 7.1025 7.2443 7.2443 7.3945 7.3945 7.7288 7.7288 8.8492 8.8492 9.4355 9.4355 10.0399 10.0399 10.2793 10.2793 10.7086 10.7086 12.1230 12.1230 12.7033 12.7033 13.6515 13.6515 14.1663 14.1663 14.6799 14.6799 k = 0.1694 0.1694 0.2181 ( 4176 PWs) bands (ev): -50.1683 -50.1683 -50.1683 -50.1683 -24.4835 -24.4835 -24.4819 -24.4819 -16.7760 -16.7760 -16.7670 -16.7670 -16.7636 -16.7636 -16.7616 -16.7616 -2.5557 -2.5557 -1.1545 -1.1545 1.4108 1.4108 6.3886 6.3886 7.1894 7.1894 7.2872 7.2872 7.4563 7.4563 7.8139 7.8139 8.9093 8.9093 9.4816 9.4816 10.0599 10.0599 10.3071 10.3071 10.7067 10.7067 12.1881 12.1881 12.5818 12.5818 13.5856 13.5856 14.1267 14.1267 14.7437 14.7437 k = 0.1613 0.1613 0.2181 ( 4186 PWs) bands (ev): -50.1684 -50.1684 -50.1684 -50.1684 -24.4828 -24.4828 -24.4812 -24.4812 -16.7748 -16.7748 -16.7645 -16.7645 -16.7624 -16.7624 -16.7593 -16.7593 -2.5938 -2.5938 -1.1687 -1.1687 1.3664 1.3664 6.3481 6.3481 7.2670 7.2670 7.3435 7.3435 7.5210 7.5210 7.9033 7.9033 8.9679 8.9679 9.5281 9.5281 10.0823 10.0823 10.3246 10.3246 10.7010 10.7010 12.2453 12.2453 12.4636 12.4636 13.5319 13.5319 14.0914 14.0914 14.7918 14.7918 k = 0.1532 0.1532 0.2181 ( 4170 PWs) bands (ev): -50.1686 -50.1686 -50.1685 -50.1685 -24.4820 -24.4820 -24.4804 -24.4804 -16.7737 -16.7737 -16.7633 -16.7633 -16.7598 -16.7598 -16.7567 -16.7567 -2.6307 -2.6307 -1.1835 -1.1835 1.3247 1.3247 6.3066 6.3066 7.3278 7.3278 7.4212 7.4212 7.5877 7.5877 7.9952 7.9952 9.0250 9.0250 9.5747 9.5747 10.1072 10.1072 10.3310 10.3310 10.6913 10.6913 12.2702 12.2702 12.3743 12.3743 13.4908 13.4908 14.0607 14.0607 14.7954 14.7954 k = 0.1452 0.1452 0.2181 ( 4166 PWs) bands (ev): -50.1687 -50.1687 -50.1687 -50.1687 -24.4813 -24.4813 -24.4797 -24.4797 -16.7728 -16.7728 -16.7628 -16.7628 -16.7568 -16.7568 -16.7541 -16.7541 -2.6662 -2.6662 -1.1986 -1.1986 1.2856 1.2856 6.2650 6.2650 7.3799 7.3799 7.5126 7.5126 7.6560 7.6560 8.0882 8.0882 9.0804 9.0804 9.6211 9.6211 10.1348 10.1348 10.3261 10.3261 10.6774 10.6774 12.1868 12.1868 12.3908 12.3908 13.4624 13.4624 14.0349 14.0349 14.7427 14.7427 k = 0.1371 0.1371 0.2181 ( 4174 PWs) bands (ev): -50.1688 -50.1688 -50.1688 -50.1688 -24.4806 -24.4806 -24.4791 -24.4791 -16.7721 -16.7721 -16.7623 -16.7623 -16.7540 -16.7540 -16.7515 -16.7515 -2.7003 -2.7003 -1.2140 -1.2140 1.2492 1.2492 6.2240 6.2240 7.4312 7.4312 7.6096 7.6096 7.7253 7.7253 8.1812 8.1812 9.1341 9.1341 9.6670 9.6670 10.1645 10.1645 10.3100 10.3100 10.6593 10.6593 12.0693 12.0693 12.4402 12.4402 13.4463 13.4463 14.0141 14.0141 14.6810 14.6810 k = 0.1290 0.1290 0.2181 ( 4182 PWs) bands (ev): -50.1690 -50.1690 -50.1689 -50.1689 -24.4800 -24.4800 -24.4785 -24.4785 -16.7715 -16.7715 -16.7620 -16.7620 -16.7512 -16.7512 -16.7490 -16.7490 -2.7328 -2.7328 -1.2295 -1.2295 1.2152 1.2152 6.1840 6.1840 7.4844 7.4844 7.7094 7.7094 7.7958 7.7958 8.2729 8.2729 9.1861 9.1861 9.7120 9.7120 10.1941 10.1941 10.2855 10.2855 10.6369 10.6369 11.9482 11.9482 12.4928 12.4928 13.4418 13.4418 13.9985 13.9985 14.6194 14.6194 k = 0.1210 0.1210 0.2181 ( 4178 PWs) bands (ev): -50.1691 -50.1691 -50.1690 -50.1690 -24.4794 -24.4794 -24.4779 -24.4779 -16.7708 -16.7708 -16.7616 -16.7616 -16.7485 -16.7485 -16.7464 -16.7464 -2.7638 -2.7638 -1.2449 -1.2449 1.1837 1.1837 6.1454 6.1454 7.5403 7.5403 7.8103 7.8103 7.8677 7.8677 8.3623 8.3623 9.2365 9.2365 9.7556 9.7556 10.2081 10.2081 10.2685 10.2685 10.6104 10.6104 11.8274 11.8274 12.5460 12.5460 13.4478 13.4478 13.9880 13.9880 14.5590 14.5590 k = 0.1129 0.1129 0.2181 ( 4186 PWs) bands (ev): -50.1692 -50.1692 -50.1691 -50.1691 -24.4788 -24.4788 -24.4774 -24.4774 -16.7702 -16.7702 -16.7613 -16.7613 -16.7459 -16.7459 -16.7440 -16.7440 -2.7931 -2.7931 -1.2602 -1.2602 1.1546 1.1546 6.1085 6.1085 7.5992 7.5992 7.9088 7.9088 7.9439 7.9439 8.4483 8.4483 9.2853 9.2853 9.7970 9.7970 10.1757 10.1757 10.2904 10.2904 10.5800 10.5800 11.7080 11.7080 12.5992 12.5992 13.4632 13.4632 13.9823 13.9823 14.4991 14.4991 k = 0.1048 0.1048 0.2181 ( 4178 PWs) bands (ev): -50.1693 -50.1693 -50.1692 -50.1692 -24.4782 -24.4782 -24.4768 -24.4768 -16.7697 -16.7697 -16.7610 -16.7610 -16.7434 -16.7434 -16.7417 -16.7417 -2.8206 -2.8206 -1.2751 -1.2751 1.1278 1.1278 6.0736 6.0736 7.6610 7.6610 7.9944 7.9944 8.0343 8.0343 8.5300 8.5300 9.3328 9.3328 9.8349 9.8349 10.1217 10.1217 10.3278 10.3278 10.5460 10.5460 11.5912 11.5912 12.6521 12.6521 13.4867 13.4867 13.9809 13.9809 14.4292 14.4292 k = 0.0968 0.0968 0.2181 ( 4178 PWs) bands (ev): -50.1694 -50.1694 -50.1693 -50.1693 -24.4777 -24.4777 -24.4763 -24.4763 -16.7692 -16.7692 -16.7607 -16.7607 -16.7411 -16.7411 -16.7395 -16.7395 -2.8463 -2.8463 -1.2895 -1.2895 1.1032 1.1032 6.0407 6.0407 7.7256 7.7256 8.0686 8.0686 8.1369 8.1369 8.6065 8.6065 9.3789 9.3789 9.8661 9.8661 10.0609 10.0609 10.3686 10.3686 10.5091 10.5091 11.4783 11.4783 12.7044 12.7044 13.5169 13.5169 13.9827 13.9827 14.3313 14.3313 k = 0.0887 0.0887 0.2181 ( 4182 PWs) bands (ev): -50.1695 -50.1695 -50.1694 -50.1694 -24.4772 -24.4772 -24.4759 -24.4759 -16.7688 -16.7688 -16.7605 -16.7605 -16.7390 -16.7390 -16.7374 -16.7374 -2.8702 -2.8702 -1.3033 -1.3033 1.0808 1.0808 6.0101 6.0101 7.7927 7.7927 8.1392 8.1392 8.2434 8.2434 8.6771 8.6771 9.4238 9.4238 9.8802 9.8802 10.0056 10.0056 10.4093 10.4093 10.4704 10.4704 11.3706 11.3706 12.7557 12.7557 13.5526 13.5526 13.9857 13.9857 14.2314 14.2314 k = 0.0806 0.0806 0.2181 ( 4178 PWs) bands (ev): -50.1696 -50.1696 -50.1695 -50.1695 -24.4767 -24.4767 -24.4755 -24.4755 -16.7683 -16.7683 -16.7602 -16.7602 -16.7370 -16.7370 -16.7355 -16.7355 -2.8922 -2.8922 -1.3163 -1.3163 1.0605 1.0605 5.9819 5.9819 7.8620 7.8620 8.2081 8.2081 8.3514 8.3514 8.7412 8.7412 9.4674 9.4674 9.8503 9.8503 9.9831 9.9831 10.4237 10.4237 10.4549 10.4549 11.2703 11.2703 12.8054 12.8054 13.5925 13.5925 13.9835 13.9835 14.1437 14.1437 k = 0.0726 0.0726 0.2181 ( 4174 PWs) bands (ev): -50.1696 -50.1696 -50.1696 -50.1696 -24.4762 -24.4762 -24.4751 -24.4751 -16.7679 -16.7679 -16.7600 -16.7600 -16.7351 -16.7351 -16.7337 -16.7337 -2.9123 -2.9123 -1.3285 -1.3285 1.0423 1.0423 5.9561 5.9561 7.9329 7.9329 8.2754 8.2754 8.4602 8.4602 8.7984 8.7984 9.5093 9.5093 9.7809 9.7809 9.9884 9.9884 10.3837 10.3837 10.4897 10.4897 11.1801 11.1801 12.8527 12.8527 13.6353 13.6353 13.9569 13.9569 14.0884 14.0884 k = 0.0645 0.0645 0.2181 ( 4174 PWs) bands (ev): -50.1697 -50.1697 -50.1696 -50.1696 -24.4759 -24.4759 -24.4747 -24.4747 -16.7676 -16.7676 -16.7598 -16.7598 -16.7335 -16.7335 -16.7321 -16.7321 -2.9303 -2.9303 -1.3397 -1.3397 1.0262 1.0262 5.9328 5.9328 8.0047 8.0047 8.3410 8.3410 8.5692 8.5692 8.8487 8.8487 9.5492 9.5492 9.6978 9.6978 9.9948 9.9948 10.3413 10.3413 10.5212 10.5212 11.1034 11.1034 12.8972 12.8972 13.6795 13.6795 13.8959 13.8959 14.0761 14.0761 k = 0.0565 0.0565 0.2181 ( 4174 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4755 -24.4755 -24.4744 -24.4744 -16.7673 -16.7673 -16.7596 -16.7596 -16.7320 -16.7320 -16.7307 -16.7307 -2.9463 -2.9463 -1.3498 -1.3498 1.0120 1.0120 5.9122 5.9122 8.0766 8.0766 8.4048 8.4048 8.6779 8.6779 8.8921 8.8921 9.5852 9.5852 9.6108 9.6108 9.9924 9.9924 10.2994 10.2994 10.5453 10.5453 11.0438 11.0438 12.9382 12.9382 13.7217 13.7217 13.8263 13.8263 14.0820 14.0820 k = 0.0484 0.0484 0.2181 ( 4162 PWs) bands (ev): -50.1698 -50.1698 -50.1697 -50.1697 -24.4752 -24.4752 -24.4740 -24.4740 -16.7670 -16.7670 -16.7594 -16.7594 -16.7306 -16.7306 -16.7293 -16.7293 -2.9603 -2.9603 -1.3587 -1.3587 0.9998 0.9998 5.8942 5.8942 8.1470 8.1470 8.4667 8.4667 8.7856 8.7856 8.9290 8.9290 9.5179 9.5179 9.6217 9.6217 9.9770 9.9770 10.2593 10.2593 10.5608 10.5608 11.0038 11.0038 12.9751 12.9751 13.7346 13.7346 13.7874 13.7874 14.0898 14.0898 k = 0.0403 0.0403 0.2181 ( 4156 PWs) bands (ev): -50.1698 -50.1698 -50.1698 -50.1698 -24.4749 -24.4749 -24.4738 -24.4738 -16.7668 -16.7668 -16.7593 -16.7593 -16.7295 -16.7295 -16.7282 -16.7282 -2.9721 -2.9721 -1.3664 -1.3664 0.9895 0.9895 5.8789 5.8789 8.2142 8.2142 8.5268 8.5268 8.8911 8.8911 8.9598 8.9598 9.4274 9.4274 9.6517 9.6517 9.9467 9.9467 10.2221 10.2221 10.5687 10.5687 10.9825 10.9825 13.0073 13.0073 13.6832 13.6832 13.8159 13.8159 14.0904 14.0904 k = 0.0323 0.0323 0.2181 ( 4160 PWs) bands (ev): -50.1699 -50.1699 -50.1698 -50.1698 -24.4747 -24.4747 -24.4736 -24.4736 -16.7666 -16.7666 -16.7592 -16.7592 -16.7286 -16.7286 -16.7274 -16.7274 -2.9819 -2.9819 -1.3728 -1.3728 0.9811 0.9811 5.8664 5.8664 8.2756 8.2756 8.5853 8.5853 8.9819 8.9819 8.9959 8.9959 9.3386 9.3386 9.6773 9.6773 9.9028 9.9028 10.1893 10.1893 10.5718 10.5718 10.9757 10.9757 13.0344 13.0344 13.6317 13.6317 13.8460 13.8460 14.0865 14.0865 k = 0.0242 0.0242 0.2181 ( 4160 PWs) bands (ev): -50.1699 -50.1699 -50.1699 -50.1699 -24.4746 -24.4746 -24.4734 -24.4734 -16.7665 -16.7665 -16.7591 -16.7591 -16.7279 -16.7279 -16.7267 -16.7267 -2.9895 -2.9895 -1.3779 -1.3779 0.9746 0.9746 5.8566 5.8566 8.3281 8.3281 8.6420 8.6420 9.0033 9.0033 9.0895 9.0895 9.2543 9.2543 9.6974 9.6974 9.8493 9.8493 10.1619 10.1619 10.5730 10.5730 10.9774 10.9774 13.0560 13.0560 13.5897 13.5897 13.8664 13.8664 14.0882 14.0882 k = 0.0161 0.0161 0.2181 ( 4172 PWs) bands (ev): -50.1699 -50.1699 -50.1699 -50.1699 -24.4745 -24.4745 -24.4734 -24.4734 -16.7665 -16.7665 -16.7591 -16.7591 -16.7275 -16.7275 -16.7262 -16.7262 -2.9949 -2.9949 -1.3815 -1.3815 0.9700 0.9700 5.8496 5.8496 8.3683 8.3683 8.6947 8.6947 9.0184 9.0184 9.1680 9.1680 9.1837 9.1837 9.7109 9.7109 9.7945 9.7945 10.1413 10.1413 10.5738 10.5738 10.9822 10.9822 13.0717 13.0717 13.5588 13.5588 13.8766 13.8766 14.0965 14.0965 k = 0.0081 0.0081 0.2181 ( 4176 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4745 -24.4745 -24.4733 -24.4733 -16.7665 -16.7665 -16.7591 -16.7591 -16.7272 -16.7272 -16.7259 -16.7259 -2.9982 -2.9982 -1.3837 -1.3837 0.9672 0.9672 5.8453 5.8453 8.3935 8.3935 8.7364 8.7364 9.0302 9.0302 9.1182 9.1182 9.2359 9.2359 9.7141 9.7141 9.7542 9.7542 10.1285 10.1285 10.5744 10.5744 10.9865 10.9865 13.0812 13.0812 13.5400 13.5400 13.8801 13.8801 14.1054 14.1054 k = 0.0000 0.0000 0.2181 ( 4186 PWs) bands (ev): -50.1700 -50.1700 -50.1699 -50.1699 -24.4746 -24.4746 -24.4733 -24.4733 -16.7665 -16.7665 -16.7591 -16.7591 -16.7272 -16.7272 -16.7258 -16.7258 -2.9993 -2.9993 -1.3844 -1.3844 0.9663 0.9663 5.8439 5.8439 8.4021 8.4021 8.7533 8.7533 9.0369 9.0369 9.0926 9.0926 9.2596 9.2596 9.7090 9.7090 9.7436 9.7436 10.1242 10.1242 10.5747 10.5747 10.9882 10.9882 13.0844 13.0844 13.5337 13.5337 13.8807 13.8807 14.1091 14.1091 k = 0.0000 0.5000-0.0000 ( 4124 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4910 -24.4910 -24.4910 -24.4910 -16.8456 -16.8456 -16.8456 -16.8456 -16.7311 -16.7311 -16.7311 -16.7311 -1.4807 -1.4807 -1.4807 -1.4807 3.2532 3.2532 3.2532 3.2532 5.6185 5.6185 5.6185 5.6185 8.8865 8.8865 8.8865 8.8865 9.1477 9.1477 9.1477 9.1477 10.2128 10.2128 10.2128 10.2128 11.7541 11.7541 11.7541 11.7541 13.0341 13.0341 13.0341 13.0341 14.5941 14.5941 14.5941 14.5941 k = 0.0000 0.5000 0.0115 ( 4134 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8456 -16.8456 -16.8456 -16.8456 -16.7311 -16.7311 -16.7311 -16.7311 -1.4807 -1.4807 -1.4807 -1.4807 3.2523 3.2523 3.2523 3.2523 5.6213 5.6213 5.6213 5.6213 8.8858 8.8858 8.8858 8.8858 9.1416 9.1416 9.1416 9.1416 10.2169 10.2169 10.2169 10.2169 11.7556 11.7556 11.7556 11.7556 13.0339 13.0339 13.0339 13.0339 14.5983 14.5983 14.5983 14.5983 k = 0.0000 0.5000 0.0230 ( 4138 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8456 -16.8456 -16.8456 -16.8456 -16.7312 -16.7312 -16.7312 -16.7312 -1.4806 -1.4806 -1.4806 -1.4806 3.2496 3.2496 3.2496 3.2496 5.6294 5.6294 5.6294 5.6294 8.8835 8.8835 8.8835 8.8835 9.1237 9.1237 9.1237 9.1237 10.2288 10.2288 10.2288 10.2288 11.7599 11.7599 11.7599 11.7599 13.0335 13.0335 13.0335 13.0335 14.6108 14.6108 14.6108 14.6108 k = 0.0000 0.5000 0.0344 ( 4144 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8456 -16.8456 -16.8456 -16.8456 -16.7312 -16.7312 -16.7312 -16.7312 -1.4804 -1.4804 -1.4804 -1.4804 3.2452 3.2452 3.2452 3.2452 5.6429 5.6429 5.6429 5.6429 8.8794 8.8794 8.8794 8.8794 9.0957 9.0957 9.0957 9.0957 10.2474 10.2474 10.2474 10.2474 11.7670 11.7670 11.7670 11.7670 13.0329 13.0329 13.0329 13.0329 14.6309 14.6309 14.6309 14.6309 k = 0.0000 0.5000 0.0459 ( 4146 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8457 -16.8457 -16.8457 -16.8457 -16.7312 -16.7312 -16.7312 -16.7312 -1.4802 -1.4802 -1.4802 -1.4802 3.2393 3.2393 3.2393 3.2393 5.6613 5.6613 5.6613 5.6613 8.8723 8.8723 8.8723 8.8723 9.0604 9.0604 9.0604 9.0604 10.2712 10.2712 10.2712 10.2712 11.7768 11.7768 11.7768 11.7768 13.0324 13.0324 13.0324 13.0324 14.6573 14.6573 14.6573 14.6573 k = 0.0000 0.5000 0.0574 ( 4146 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8457 -16.8457 -16.8457 -16.8457 -16.7312 -16.7312 -16.7312 -16.7312 -1.4800 -1.4800 -1.4800 -1.4800 3.2320 3.2320 3.2320 3.2320 5.6844 5.6844 5.6844 5.6844 8.8604 8.8604 8.8604 8.8604 9.0216 9.0216 9.0216 9.0216 10.2985 10.2985 10.2985 10.2985 11.7891 11.7891 11.7891 11.7891 13.0324 13.0324 13.0324 13.0324 14.6879 14.6879 14.6879 14.6879 k = 0.0000 0.5000 0.0689 ( 4156 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8457 -16.8457 -16.8457 -16.8457 -16.7312 -16.7312 -16.7312 -16.7312 -1.4797 -1.4797 -1.4797 -1.4797 3.2237 3.2237 3.2237 3.2237 5.7115 5.7115 5.7115 5.7115 8.8400 8.8400 8.8400 8.8400 8.9850 8.9850 8.9850 8.9850 10.3278 10.3278 10.3278 10.3278 11.8036 11.8036 11.8036 11.8036 13.0331 13.0331 13.0331 13.0331 14.7180 14.7180 14.7180 14.7180 k = 0.0000 0.5000 0.0804 ( 4156 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8457 -16.8457 -16.8457 -16.8457 -16.7312 -16.7312 -16.7312 -16.7312 -1.4793 -1.4793 -1.4793 -1.4793 3.2145 3.2145 3.2145 3.2145 5.7421 5.7421 5.7421 5.7421 8.8072 8.8072 8.8072 8.8072 8.9562 8.9562 8.9562 8.9562 10.3578 10.3578 10.3578 10.3578 11.8201 11.8201 11.8201 11.8201 13.0348 13.0348 13.0348 13.0348 14.7359 14.7359 14.7359 14.7359 k = 0.0000 0.5000 0.0919 ( 4148 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8457 -16.8457 -16.8457 -16.8457 -16.7312 -16.7312 -16.7312 -16.7312 -1.4790 -1.4790 -1.4790 -1.4790 3.2047 3.2047 3.2047 3.2047 5.7756 5.7756 5.7756 5.7756 8.7620 8.7620 8.7620 8.7620 8.9372 8.9372 8.9372 8.9372 10.3873 10.3873 10.3873 10.3873 11.8382 11.8382 11.8382 11.8382 13.0376 13.0376 13.0376 13.0376 14.7178 14.7178 14.7178 14.7178 k = 0.0000 0.5000 0.1033 ( 4140 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8457 -16.8457 -16.8457 -16.8457 -16.7311 -16.7311 -16.7311 -16.7311 -1.4786 -1.4786 -1.4786 -1.4786 3.1947 3.1947 3.1947 3.1947 5.8112 5.8112 5.8112 5.8112 8.7085 8.7085 8.7085 8.7085 8.9251 8.9251 8.9251 8.9251 10.4157 10.4157 10.4157 10.4157 11.8575 11.8575 11.8575 11.8575 13.0415 13.0415 13.0415 13.0415 14.6645 14.6645 14.6645 14.6645 k = 0.0000 0.5000 0.1148 ( 4138 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8457 -16.8457 -16.8457 -16.8457 -16.7311 -16.7311 -16.7311 -16.7311 -1.4782 -1.4782 -1.4782 -1.4782 3.1846 3.1846 3.1846 3.1846 5.8479 5.8479 5.8479 5.8479 8.6514 8.6514 8.6514 8.6514 8.9171 8.9171 8.9171 8.9171 10.4421 10.4421 10.4421 10.4421 11.8776 11.8776 11.8776 11.8776 13.0466 13.0466 13.0466 13.0466 14.5994 14.5994 14.5994 14.5994 k = 0.0000 0.5000 0.1263 ( 4142 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8457 -16.8457 -16.8457 -16.8457 -16.7311 -16.7311 -16.7311 -16.7311 -1.4778 -1.4778 -1.4778 -1.4778 3.1749 3.1749 3.1749 3.1749 5.8850 5.8850 5.8850 5.8850 8.5937 8.5937 8.5937 8.5937 8.9113 8.9113 8.9113 8.9113 10.4663 10.4663 10.4663 10.4663 11.8979 11.8979 11.8979 11.8979 13.0526 13.0526 13.0526 13.0526 14.5338 14.5338 14.5338 14.5338 k = 0.0000 0.5000 0.1378 ( 4140 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4911 -24.4911 -24.4911 -24.4911 -16.8457 -16.8457 -16.8457 -16.8457 -16.7311 -16.7311 -16.7311 -16.7311 -1.4775 -1.4775 -1.4775 -1.4775 3.1657 3.1657 3.1657 3.1657 5.9214 5.9214 5.9214 5.9214 8.5377 8.5377 8.5377 8.5377 8.9069 8.9069 8.9069 8.9069 10.4878 10.4878 10.4878 10.4878 11.9179 11.9179 11.9179 11.9179 13.0592 13.0592 13.0592 13.0592 14.4718 14.4718 14.4718 14.4718 k = 0.0000 0.5000 0.1493 ( 4156 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8458 -16.8458 -16.8458 -16.8458 -16.7311 -16.7311 -16.7311 -16.7311 -1.4772 -1.4772 -1.4772 -1.4772 3.1572 3.1572 3.1572 3.1572 5.9561 5.9561 5.9561 5.9561 8.4852 8.4852 8.4852 8.4852 8.9035 8.9035 8.9035 8.9035 10.5066 10.5066 10.5066 10.5066 11.9370 11.9370 11.9370 11.9370 13.0662 13.0662 13.0662 13.0662 14.4153 14.4153 14.4153 14.4153 k = 0.0000 0.5000 0.1607 ( 4150 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8458 -16.8458 -16.8458 -16.8458 -16.7311 -16.7311 -16.7311 -16.7311 -1.4769 -1.4769 -1.4769 -1.4769 3.1497 3.1497 3.1497 3.1497 5.9880 5.9880 5.9880 5.9880 8.4377 8.4377 8.4377 8.4377 8.9007 8.9007 8.9007 8.9007 10.5225 10.5225 10.5225 10.5225 11.9546 11.9546 11.9546 11.9546 13.0731 13.0731 13.0731 13.0731 14.3656 14.3656 14.3656 14.3656 k = 0.0000 0.5000 0.1722 ( 4148 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4912 -24.4912 -24.4912 -24.4912 -16.8458 -16.8458 -16.8458 -16.8458 -16.7311 -16.7311 -16.7311 -16.7311 -1.4766 -1.4766 -1.4766 -1.4766 3.1433 3.1433 3.1433 3.1433 6.0160 6.0160 6.0160 6.0160 8.3967 8.3967 8.3967 8.3967 8.8986 8.8986 8.8986 8.8986 10.5356 10.5356 10.5356 10.5356 11.9700 11.9700 11.9700 11.9700 13.0794 13.0794 13.0794 13.0794 14.3237 14.3237 14.3237 14.3237 k = 0.0000 0.5000 0.1837 ( 4164 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4913 -24.4913 -16.8459 -16.8459 -16.8459 -16.8459 -16.7311 -16.7311 -16.7311 -16.7311 -1.4764 -1.4764 -1.4764 -1.4764 3.1382 3.1382 3.1382 3.1382 6.0390 6.0390 6.0390 6.0390 8.3633 8.3633 8.3633 8.3633 8.8969 8.8969 8.8969 8.8969 10.5456 10.5456 10.5456 10.5456 11.9827 11.9827 11.9827 11.9827 13.0848 13.0848 13.0848 13.0848 14.2903 14.2903 14.2903 14.2903 k = 0.0000 0.5000 0.1952 ( 4168 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4913 -24.4913 -16.8459 -16.8459 -16.8459 -16.8459 -16.7311 -16.7311 -16.7311 -16.7311 -1.4762 -1.4762 -1.4762 -1.4762 3.1345 3.1345 3.1345 3.1345 6.0562 6.0562 6.0562 6.0562 8.3387 8.3387 8.3387 8.3387 8.8957 8.8957 8.8957 8.8957 10.5528 10.5528 10.5528 10.5528 11.9921 11.9921 11.9921 11.9921 13.0890 13.0890 13.0890 13.0890 14.2660 14.2660 14.2660 14.2660 k = 0.0000 0.5000 0.2067 ( 4176 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4914 -24.4914 -24.4914 -24.4914 -16.8460 -16.8460 -16.8460 -16.8460 -16.7311 -16.7311 -16.7311 -16.7311 -1.4761 -1.4761 -1.4761 -1.4761 3.1322 3.1322 3.1322 3.1322 6.0669 6.0669 6.0669 6.0669 8.3235 8.3235 8.3235 8.3235 8.8950 8.8950 8.8950 8.8950 10.5571 10.5571 10.5571 10.5571 11.9980 11.9980 11.9980 11.9980 13.0916 13.0916 13.0916 13.0916 14.2512 14.2512 14.2512 14.2512 k = 0.0000 0.5000 0.2181 ( 4168 PWs) bands (ev): -50.1667 -50.1667 -50.1667 -50.1667 -24.4913 -24.4913 -24.4913 -24.4913 -16.8459 -16.8459 -16.8459 -16.8459 -16.7311 -16.7311 -16.7311 -16.7311 -1.4761 -1.4761 -1.4761 -1.4761 3.1314 3.1314 3.1314 3.1314 6.0705 6.0705 6.0705 6.0705 8.3184 8.3184 8.3184 8.3184 8.8948 8.8948 8.8948 8.8948 10.5586 10.5586 10.5586 10.5586 12.0000 12.0000 12.0000 12.0000 13.0925 13.0925 13.0925 13.0925 14.2463 14.2463 14.2463 14.2463 k = 0.5000 0.5000-0.0000 ( 4100 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5063 -24.5063 -24.5063 -24.5063 -16.8657 -16.8657 -16.8657 -16.8657 -16.7795 -16.7795 -16.7795 -16.7795 -1.2345 -1.2345 -1.2345 -1.2345 5.1293 5.1293 5.1293 5.1293 5.9282 5.9282 5.9282 5.9282 6.6181 6.6181 6.6181 6.6181 7.9241 7.9241 7.9241 7.9241 8.5701 8.5701 8.5701 8.5701 10.2168 10.2168 10.2168 10.2168 15.2982 15.2982 15.2982 15.2982 15.5589 15.5589 15.5589 15.5589 k = 0.5000 0.5000 0.0115 ( 4116 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5064 -24.5064 -16.8657 -16.8657 -16.8657 -16.8657 -16.7797 -16.7797 -16.7797 -16.7797 -1.2345 -1.2345 -1.2345 -1.2345 5.1294 5.1294 5.1294 5.1294 5.9281 5.9281 5.9281 5.9281 6.6145 6.6145 6.6145 6.6145 7.9297 7.9297 7.9297 7.9297 8.5704 8.5704 8.5704 8.5704 10.2168 10.2168 10.2168 10.2168 15.2192 15.2192 15.2192 15.2192 15.6099 15.6099 15.6099 15.6099 k = 0.5000 0.5000 0.0230 ( 4124 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5064 -24.5064 -24.5064 -24.5064 -16.8657 -16.8657 -16.8657 -16.8657 -16.7797 -16.7797 -16.7797 -16.7797 -1.2344 -1.2344 -1.2344 -1.2344 5.1296 5.1296 5.1296 5.1296 5.9278 5.9278 5.9278 5.9278 6.6040 6.6040 6.6040 6.6040 7.9463 7.9463 7.9463 7.9463 8.5715 8.5715 8.5715 8.5715 10.2167 10.2167 10.2167 10.2167 15.0691 15.0691 15.0691 15.0691 15.6682 15.6682 15.6682 15.6682 k = 0.5000 0.5000 0.0344 ( 4140 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8658 -16.8658 -16.8658 -16.8658 -16.7798 -16.7798 -16.7798 -16.7798 -1.2343 -1.2343 -1.2343 -1.2343 5.1299 5.1299 5.1299 5.1299 5.9274 5.9274 5.9274 5.9274 6.5874 6.5874 6.5874 6.5874 7.9729 7.9729 7.9729 7.9729 8.5734 8.5734 8.5734 8.5734 10.2167 10.2167 10.2167 10.2167 14.9030 14.9030 14.9030 14.9030 15.6938 15.6938 15.6938 15.6938 k = 0.5000 0.5000 0.0459 ( 4140 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8658 -16.8658 -16.8658 -16.8658 -16.7798 -16.7798 -16.7798 -16.7798 -1.2341 -1.2341 -1.2341 -1.2341 5.1304 5.1304 5.1304 5.1304 5.9268 5.9268 5.9268 5.9268 6.5656 6.5656 6.5656 6.5656 8.0082 8.0082 8.0082 8.0082 8.5763 8.5763 8.5763 8.5763 10.2166 10.2166 10.2166 10.2166 14.7332 14.7332 14.7332 14.7332 15.7041 15.7041 15.7041 15.7041 k = 0.5000 0.5000 0.0574 ( 4144 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5066 -24.5066 -24.5066 -24.5066 -16.8658 -16.8658 -16.8658 -16.8658 -16.7798 -16.7798 -16.7798 -16.7798 -1.2339 -1.2339 -1.2339 -1.2339 5.1309 5.1309 5.1309 5.1309 5.9260 5.9260 5.9260 5.9260 6.5400 6.5400 6.5400 6.5400 8.0504 8.0504 8.0504 8.0504 8.5804 8.5804 8.5804 8.5804 10.2165 10.2165 10.2165 10.2165 14.5641 14.5641 14.5641 14.5641 15.7086 15.7086 15.7086 15.7086 k = 0.5000 0.5000 0.0689 ( 4152 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5066 -24.5066 -24.5066 -24.5066 -16.8659 -16.8659 -16.8659 -16.8659 -16.7799 -16.7799 -16.7799 -16.7799 -1.2337 -1.2337 -1.2337 -1.2337 5.1316 5.1316 5.1316 5.1316 5.9251 5.9251 5.9251 5.9251 6.5118 6.5118 6.5118 6.5118 8.0975 8.0975 8.0975 8.0975 8.5861 8.5861 8.5861 8.5861 10.2164 10.2164 10.2164 10.2164 14.3980 14.3980 14.3980 14.3980 15.7109 15.7109 15.7109 15.7109 k = 0.5000 0.5000 0.0804 ( 4144 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5066 -24.5066 -24.5066 -24.5066 -16.8658 -16.8658 -16.8658 -16.8658 -16.7798 -16.7798 -16.7798 -16.7798 -1.2334 -1.2334 -1.2334 -1.2334 5.1323 5.1323 5.1323 5.1323 5.9241 5.9241 5.9241 5.9241 6.4820 6.4820 6.4820 6.4820 8.1475 8.1475 8.1475 8.1475 8.5938 8.5938 8.5938 8.5938 10.2163 10.2163 10.2163 10.2163 14.2365 14.2365 14.2365 14.2365 15.7119 15.7119 15.7119 15.7119 k = 0.5000 0.5000 0.0919 ( 4160 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5067 -24.5067 -24.5067 -24.5067 -16.8659 -16.8659 -16.8659 -16.8659 -16.7799 -16.7799 -16.7799 -16.7799 -1.2331 -1.2331 -1.2331 -1.2331 5.1331 5.1331 5.1331 5.1331 5.9230 5.9230 5.9230 5.9230 6.4518 6.4518 6.4518 6.4518 8.1981 8.1981 8.1981 8.1981 8.6043 8.6043 8.6043 8.6043 10.2161 10.2161 10.2161 10.2161 14.0811 14.0811 14.0811 14.0811 15.7123 15.7123 15.7123 15.7123 k = 0.5000 0.5000 0.1033 ( 4176 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5068 -24.5068 -24.5068 -24.5068 -16.8660 -16.8660 -16.8660 -16.8660 -16.7799 -16.7799 -16.7799 -16.7799 -1.2328 -1.2328 -1.2328 -1.2328 5.1339 5.1339 5.1339 5.1339 5.9218 5.9218 5.9218 5.9218 6.4220 6.4220 6.4220 6.4220 8.2470 8.2470 8.2470 8.2470 8.6182 8.6182 8.6182 8.6182 10.2160 10.2160 10.2160 10.2160 13.9329 13.9329 13.9329 13.9329 15.7124 15.7124 15.7124 15.7124 k = 0.5000 0.5000 0.1148 ( 4164 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5067 -24.5067 -24.5067 -24.5067 -16.8660 -16.8660 -16.8660 -16.8660 -16.7799 -16.7799 -16.7799 -16.7799 -1.2325 -1.2325 -1.2325 -1.2325 5.1348 5.1348 5.1348 5.1348 5.9206 5.9206 5.9206 5.9206 6.3933 6.3933 6.3933 6.3933 8.2918 8.2918 8.2918 8.2918 8.6366 8.6366 8.6366 8.6366 10.2159 10.2159 10.2159 10.2159 13.7932 13.7932 13.7932 13.7932 15.7122 15.7122 15.7122 15.7122 k = 0.5000 0.5000 0.1263 ( 4164 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5067 -24.5067 -24.5067 -24.5067 -16.8660 -16.8660 -16.8660 -16.8660 -16.7799 -16.7799 -16.7799 -16.7799 -1.2322 -1.2322 -1.2322 -1.2322 5.1356 5.1356 5.1356 5.1356 5.9193 5.9193 5.9193 5.9193 6.3664 6.3664 6.3664 6.3664 8.3307 8.3307 8.3307 8.3307 8.6598 8.6598 8.6598 8.6598 10.2158 10.2158 10.2158 10.2158 13.6632 13.6632 13.6632 13.6632 15.7119 15.7119 15.7119 15.7119 k = 0.5000 0.5000 0.1378 ( 4172 PWs) bands (ev): -50.1636 -50.1636 -50.1636 -50.1636 -24.5067 -24.5067 -24.5067 -24.5067 -16.8660 -16.8660 -16.8660 -16.8660 -16.7799 -16.7799 -16.7799 -16.7799 -1.2319 -1.2319 -1.2319 -1.2319 5.1364 5.1364 5.1364 5.1364 5.9181 5.9181 5.9181 5.9181 6.3417 6.3417 6.3417 6.3417 8.3623 8.3623 8.3623 8.3623 8.6876 8.6876 8.6876 8.6876 10.2157 10.2157 10.2157 10.2157 13.5442 13.5442 13.5442 13.5442 15.7116 15.7116 15.7116 15.7116 k = 0.5000 0.5000 0.1493 ( 4152 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5066 -24.5066 -24.5066 -24.5066 -16.8660 -16.8660 -16.8660 -16.8660 -16.7798 -16.7798 -16.7798 -16.7798 -1.2316 -1.2316 -1.2316 -1.2316 5.1372 5.1372 5.1372 5.1372 5.9169 5.9169 5.9169 5.9169 6.3197 6.3197 6.3197 6.3197 8.3868 8.3868 8.3868 8.3868 8.7185 8.7185 8.7185 8.7185 10.2157 10.2157 10.2157 10.2157 13.4374 13.4374 13.4374 13.4374 15.7112 15.7112 15.7112 15.7112 k = 0.5000 0.5000 0.1607 ( 4156 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5066 -24.5066 -24.5066 -24.5066 -16.8660 -16.8660 -16.8660 -16.8660 -16.7798 -16.7798 -16.7798 -16.7798 -1.2314 -1.2314 -1.2314 -1.2314 5.1378 5.1378 5.1378 5.1378 5.9158 5.9158 5.9158 5.9158 6.3006 6.3006 6.3006 6.3006 8.4049 8.4049 8.4049 8.4049 8.7503 8.7503 8.7503 8.7503 10.2156 10.2156 10.2156 10.2156 13.3441 13.3441 13.3441 13.3441 15.7109 15.7109 15.7109 15.7109 k = 0.5000 0.5000 0.1722 ( 4136 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8659 -16.8659 -16.8659 -16.8659 -16.7797 -16.7797 -16.7797 -16.7797 -1.2312 -1.2312 -1.2312 -1.2312 5.1384 5.1384 5.1384 5.1384 5.9149 5.9149 5.9149 5.9149 6.2847 6.2847 6.2847 6.2847 8.4178 8.4178 8.4178 8.4178 8.7805 8.7805 8.7805 8.7805 10.2156 10.2156 10.2156 10.2156 13.2657 13.2657 13.2657 13.2657 15.7106 15.7106 15.7106 15.7106 k = 0.5000 0.5000 0.1837 ( 4136 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8659 -16.8659 -16.8659 -16.8659 -16.7797 -16.7797 -16.7797 -16.7797 -1.2310 -1.2310 -1.2310 -1.2310 5.1389 5.1389 5.1389 5.1389 5.9141 5.9141 5.9141 5.9141 6.2722 6.2722 6.2722 6.2722 8.4268 8.4268 8.4268 8.4268 8.8066 8.8066 8.8066 8.8066 10.2155 10.2155 10.2155 10.2155 13.2033 13.2033 13.2033 13.2033 15.7103 15.7103 15.7103 15.7103 k = 0.5000 0.5000 0.1952 ( 4128 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8658 -16.8658 -16.8658 -16.8658 -16.7797 -16.7797 -16.7797 -16.7797 -1.2309 -1.2309 -1.2309 -1.2309 5.1392 5.1392 5.1392 5.1392 5.9135 5.9135 5.9135 5.9135 6.2632 6.2632 6.2632 6.2632 8.4325 8.4325 8.4325 8.4325 8.8266 8.8266 8.8266 8.8266 10.2155 10.2155 10.2155 10.2155 13.1578 13.1578 13.1578 13.1578 15.7101 15.7101 15.7101 15.7101 k = 0.5000 0.5000 0.2067 ( 4128 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8658 -16.8658 -16.8658 -16.8658 -16.7797 -16.7797 -16.7797 -16.7797 -1.2308 -1.2308 -1.2308 -1.2308 5.1395 5.1395 5.1395 5.1395 5.9131 5.9131 5.9131 5.9131 6.2577 6.2577 6.2577 6.2577 8.4358 8.4358 8.4358 8.4358 8.8392 8.8392 8.8392 8.8392 10.2155 10.2155 10.2155 10.2155 13.1302 13.1302 13.1302 13.1302 15.7100 15.7100 15.7100 15.7100 k = 0.5000 0.5000 0.2181 ( 4136 PWs) bands (ev): -50.1635 -50.1635 -50.1635 -50.1635 -24.5065 -24.5065 -24.5065 -24.5065 -16.8659 -16.8659 -16.8659 -16.8659 -16.7797 -16.7797 -16.7797 -16.7797 -1.2308 -1.2308 -1.2308 -1.2308 5.1395 5.1395 5.1395 5.1395 5.9130 5.9130 5.9130 5.9130 6.2559 6.2559 6.2559 6.2559 8.4368 8.4368 8.4368 8.4368 8.8435 8.8435 8.8435 8.8435 10.2155 10.2155 10.2155 10.2155 13.1210 13.1210 13.1210 13.1210 15.7100 15.7100 15.7100 15.7100 Writing output data file HfSiSe.save init_run : 0.24s CPU 0.39s WALL ( 1 calls) electrons : 161.68s CPU 164.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 161.68s CPU 164.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 366 calls) cegterg : 149.48s CPU 151.81s WALL ( 550 calls) Called by sum_band: Called by *egterg: h_psi : 66.50s CPU 68.14s WALL ( 8774 calls) s_psi : 6.58s CPU 6.77s WALL ( 8774 calls) g_psi : 0.26s CPU 0.26s WALL ( 7858 calls) cdiaghg : 65.95s CPU 66.91s WALL ( 8224 calls) cegterg:over : 7.09s CPU 7.09s WALL ( 7858 calls) cegterg:upda : 6.15s CPU 6.32s WALL ( 7858 calls) cegterg:last : 3.32s CPU 3.26s WALL ( 1319 calls) cdiaghg:chol : 3.78s CPU 3.79s WALL ( 8224 calls) cdiaghg:inve : 2.58s CPU 2.55s WALL ( 8224 calls) cdiaghg:para : 4.20s CPU 4.14s WALL ( 16448 calls) Called by h_psi: h_psi:vloc : 49.88s CPU 51.42s WALL ( 8774 calls) h_psi:vnl : 16.34s CPU 16.45s WALL ( 8774 calls) add_vuspsi : 8.11s CPU 8.22s WALL ( 8774 calls) General routines calbec : 8.22s CPU 8.21s WALL ( 8774 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.24s CPU 47.71s WALL ( 911632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 732 calls) Parallel routines fft_scatter : 24.26s CPU 25.17s WALL ( 911655 calls) PWSCF : 2m59.73s CPU 3m13.80s WALL This run was terminated on: 19: 0:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=