Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:17:51 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: ./Zr5Al3.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 91 91 25 2919 2919 431 Max 93 93 26 2923 2923 434 Sum 3283 3283 925 105115 105115 15553 bravais-lattice index = 14 lattice parameter (alat) = 15.4202 a.u. unit-cell volume = 2202.5404 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.420164 celldm(2)= 1.000000 celldm(3)= 0.693627 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.693627 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.441696 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3468137 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3468137 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 217 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0046083 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0046083 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0046083 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0046083 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0046083 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0046083 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0046083 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0046083 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0046083 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0046083 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0046083 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0046083 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0046083 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0046083 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0046083 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0046083 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0046083 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0046083 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0046083 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0046083 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0046083 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0046083 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046083 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046083 k( 26) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046083 k( 27) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046083 k( 28) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046083 k( 29) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046083 k( 30) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046083 k( 31) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046083 k( 32) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046083 k( 33) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046083 k( 34) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046083 k( 35) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046083 k( 36) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046083 k( 37) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046083 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046083 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046083 k( 40) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0046083 k( 41) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0046083 k( 42) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0046083 k( 43) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0046083 k( 44) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0046083 k( 45) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0046083 k( 46) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0046083 k( 47) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0046083 k( 48) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0046083 k( 49) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0046083 k( 50) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0046083 k( 51) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0046083 k( 52) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0046083 k( 53) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0046083 k( 54) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0046083 k( 55) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0046083 k( 56) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0046083 k( 57) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0046083 k( 58) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0046083 k( 59) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0046083 k( 60) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0046083 k( 61) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0046083 k( 62) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0046083 k( 63) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0046083 k( 64) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0046083 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 66) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 67) = ( 0.0000000 0.0000000 0.0257446), wk = 0.0046083 k( 68) = ( 0.0000000 0.0000000 0.0514892), wk = 0.0046083 k( 69) = ( 0.0000000 0.0000000 0.0772337), wk = 0.0046083 k( 70) = ( 0.0000000 0.0000000 0.1029783), wk = 0.0046083 k( 71) = ( 0.0000000 0.0000000 0.1287229), wk = 0.0046083 k( 72) = ( 0.0000000 0.0000000 0.1544674), wk = 0.0046083 k( 73) = ( 0.0000000 0.0000000 0.1802120), wk = 0.0046083 k( 74) = ( 0.0000000 0.0000000 0.2059566), wk = 0.0046083 k( 75) = ( 0.0000000 0.0000000 0.2317012), wk = 0.0046083 k( 76) = ( 0.0000000 0.0000000 0.2574457), wk = 0.0046083 k( 77) = ( 0.0000000 0.0000000 0.2831903), wk = 0.0046083 k( 78) = ( 0.0000000 0.0000000 0.3089349), wk = 0.0046083 k( 79) = ( 0.0000000 0.0000000 0.3346795), wk = 0.0046083 k( 80) = ( 0.0000000 0.0000000 0.3604240), wk = 0.0046083 k( 81) = ( 0.0000000 0.0000000 0.3861686), wk = 0.0046083 k( 82) = ( 0.0000000 0.0000000 0.4119132), wk = 0.0046083 k( 83) = ( 0.0000000 0.0000000 0.4376578), wk = 0.0046083 k( 84) = ( 0.0000000 0.0000000 0.4634023), wk = 0.0046083 k( 85) = ( 0.0000000 0.0000000 0.4891469), wk = 0.0046083 k( 86) = ( 0.0000000 0.0000000 0.5148915), wk = 0.0046083 k( 87) = ( 0.0000000 0.0000000 0.5406360), wk = 0.0046083 k( 88) = ( 0.0000000 0.0000000 0.5663806), wk = 0.0046083 k( 89) = ( 0.0000000 0.0000000 0.5921252), wk = 0.0046083 k( 90) = ( 0.0000000 0.0000000 0.6178698), wk = 0.0046083 k( 91) = ( 0.0000000 0.0000000 0.6436143), wk = 0.0046083 k( 92) = ( 0.0000000 0.0000000 0.6693589), wk = 0.0046083 k( 93) = ( 0.0000000 0.0000000 0.6951035), wk = 0.0046083 k( 94) = ( 0.0000000 0.0000000 0.7208481), wk = 0.0046083 k( 95) = ( 0.0000000 0.0000000 0.7208481), wk = 0.0046083 k( 96) = ( 0.0217391 0.0125511 0.7208481), wk = 0.0046083 k( 97) = ( 0.0434783 0.0251022 0.7208481), wk = 0.0046083 k( 98) = ( 0.0652174 0.0376533 0.7208481), wk = 0.0046083 k( 99) = ( 0.0869565 0.0502044 0.7208481), wk = 0.0046083 k( 100) = ( 0.1086957 0.0627555 0.7208481), wk = 0.0046083 k( 101) = ( 0.1304348 0.0753066 0.7208481), wk = 0.0046083 k( 102) = ( 0.1521739 0.0878576 0.7208481), wk = 0.0046083 k( 103) = ( 0.1739130 0.1004087 0.7208481), wk = 0.0046083 k( 104) = ( 0.1956522 0.1129598 0.7208481), wk = 0.0046083 k( 105) = ( 0.2173913 0.1255109 0.7208481), wk = 0.0046083 k( 106) = ( 0.2391304 0.1380620 0.7208481), wk = 0.0046083 k( 107) = ( 0.2608696 0.1506131 0.7208481), wk = 0.0046083 k( 108) = ( 0.2826087 0.1631642 0.7208481), wk = 0.0046083 k( 109) = ( 0.3043478 0.1757153 0.7208481), wk = 0.0046083 k( 110) = ( 0.3260870 0.1882664 0.7208481), wk = 0.0046083 k( 111) = ( 0.3478261 0.2008175 0.7208481), wk = 0.0046083 k( 112) = ( 0.3695652 0.2133686 0.7208481), wk = 0.0046083 k( 113) = ( 0.3913044 0.2259197 0.7208481), wk = 0.0046083 k( 114) = ( 0.4130435 0.2384708 0.7208481), wk = 0.0046083 k( 115) = ( 0.4347826 0.2510219 0.7208481), wk = 0.0046083 k( 116) = ( 0.4565217 0.2635729 0.7208481), wk = 0.0046083 k( 117) = ( 0.4782609 0.2761240 0.7208481), wk = 0.0046083 k( 118) = ( 0.5000000 0.2886751 0.7208481), wk = 0.0046083 k( 119) = ( 0.5000000 0.2886751 0.7208481), wk = 0.0046083 k( 120) = ( 0.4871795 0.3108809 0.7208481), wk = 0.0046083 k( 121) = ( 0.4743590 0.3330867 0.7208481), wk = 0.0046083 k( 122) = ( 0.4615385 0.3552925 0.7208481), wk = 0.0046083 k( 123) = ( 0.4487179 0.3774983 0.7208481), wk = 0.0046083 k( 124) = ( 0.4358974 0.3997040 0.7208481), wk = 0.0046083 k( 125) = ( 0.4230769 0.4219098 0.7208481), wk = 0.0046083 k( 126) = ( 0.4102564 0.4441156 0.7208481), wk = 0.0046083 k( 127) = ( 0.3974359 0.4663214 0.7208481), wk = 0.0046083 k( 128) = ( 0.3846154 0.4885271 0.7208481), wk = 0.0046083 k( 129) = ( 0.3717949 0.5107329 0.7208481), wk = 0.0046083 k( 130) = ( 0.3589744 0.5329387 0.7208481), wk = 0.0046083 k( 131) = ( 0.3461538 0.5551445 0.7208481), wk = 0.0046083 k( 132) = ( 0.3333333 0.5773503 0.7208481), wk = 0.0046083 k( 133) = ( 0.3333333 0.5773503 0.7208481), wk = 0.0046083 k( 134) = ( 0.3205128 0.5551445 0.7208481), wk = 0.0046083 k( 135) = ( 0.3076923 0.5329387 0.7208481), wk = 0.0046083 k( 136) = ( 0.2948718 0.5107329 0.7208481), wk = 0.0046083 k( 137) = ( 0.2820513 0.4885271 0.7208481), wk = 0.0046083 k( 138) = ( 0.2692308 0.4663214 0.7208481), wk = 0.0046083 k( 139) = ( 0.2564103 0.4441156 0.7208481), wk = 0.0046083 k( 140) = ( 0.2435897 0.4219098 0.7208481), wk = 0.0046083 k( 141) = ( 0.2307692 0.3997040 0.7208481), wk = 0.0046083 k( 142) = ( 0.2179487 0.3774983 0.7208481), wk = 0.0046083 k( 143) = ( 0.2051282 0.3552925 0.7208481), wk = 0.0046083 k( 144) = ( 0.1923077 0.3330867 0.7208481), wk = 0.0046083 k( 145) = ( 0.1794872 0.3108809 0.7208481), wk = 0.0046083 k( 146) = ( 0.1666667 0.2886751 0.7208481), wk = 0.0046083 k( 147) = ( 0.1538461 0.2664693 0.7208481), wk = 0.0046083 k( 148) = ( 0.1410256 0.2442636 0.7208481), wk = 0.0046083 k( 149) = ( 0.1282051 0.2220578 0.7208481), wk = 0.0046083 k( 150) = ( 0.1153846 0.1998520 0.7208481), wk = 0.0046083 k( 151) = ( 0.1025641 0.1776462 0.7208481), wk = 0.0046083 k( 152) = ( 0.0897436 0.1554405 0.7208481), wk = 0.0046083 k( 153) = ( 0.0769231 0.1332347 0.7208481), wk = 0.0046083 k( 154) = ( 0.0641026 0.1110289 0.7208481), wk = 0.0046083 k( 155) = ( 0.0512821 0.0888231 0.7208481), wk = 0.0046083 k( 156) = ( 0.0384615 0.0666173 0.7208481), wk = 0.0046083 k( 157) = ( 0.0256410 0.0444116 0.7208481), wk = 0.0046083 k( 158) = ( 0.0128205 0.0222058 0.7208481), wk = 0.0046083 k( 159) = ( 0.0000000 0.0000000 0.7208481), wk = 0.0046083 k( 160) = ( 0.5000000 0.2886751 0.7208481), wk = 0.0046083 k( 161) = ( 0.5000000 0.2886751 0.6951035), wk = 0.0046083 k( 162) = ( 0.5000000 0.2886751 0.6693589), wk = 0.0046083 k( 163) = ( 0.5000000 0.2886751 0.6436143), wk = 0.0046083 k( 164) = ( 0.5000000 0.2886751 0.6178698), wk = 0.0046083 k( 165) = ( 0.5000000 0.2886751 0.5921252), wk = 0.0046083 k( 166) = ( 0.5000000 0.2886751 0.5663806), wk = 0.0046083 k( 167) = ( 0.5000000 0.2886751 0.5406360), wk = 0.0046083 k( 168) = ( 0.5000000 0.2886751 0.5148915), wk = 0.0046083 k( 169) = ( 0.5000000 0.2886751 0.4891469), wk = 0.0046083 k( 170) = ( 0.5000000 0.2886751 0.4634023), wk = 0.0046083 k( 171) = ( 0.5000000 0.2886751 0.4376578), wk = 0.0046083 k( 172) = ( 0.5000000 0.2886751 0.4119132), wk = 0.0046083 k( 173) = ( 0.5000000 0.2886751 0.3861686), wk = 0.0046083 k( 174) = ( 0.5000000 0.2886751 0.3604240), wk = 0.0046083 k( 175) = ( 0.5000000 0.2886751 0.3346795), wk = 0.0046083 k( 176) = ( 0.5000000 0.2886751 0.3089349), wk = 0.0046083 k( 177) = ( 0.5000000 0.2886751 0.2831903), wk = 0.0046083 k( 178) = ( 0.5000000 0.2886751 0.2574457), wk = 0.0046083 k( 179) = ( 0.5000000 0.2886751 0.2317012), wk = 0.0046083 k( 180) = ( 0.5000000 0.2886751 0.2059566), wk = 0.0046083 k( 181) = ( 0.5000000 0.2886751 0.1802120), wk = 0.0046083 k( 182) = ( 0.5000000 0.2886751 0.1544674), wk = 0.0046083 k( 183) = ( 0.5000000 0.2886751 0.1287229), wk = 0.0046083 k( 184) = ( 0.5000000 0.2886751 0.1029783), wk = 0.0046083 k( 185) = ( 0.5000000 0.2886751 0.0772337), wk = 0.0046083 k( 186) = ( 0.5000000 0.2886751 0.0514892), wk = 0.0046083 k( 187) = ( 0.5000000 0.2886751 0.0257446), wk = 0.0046083 k( 188) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046083 k( 189) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046083 k( 190) = ( 0.3333333 0.5773503 0.0257446), wk = 0.0046083 k( 191) = ( 0.3333333 0.5773503 0.0514892), wk = 0.0046083 k( 192) = ( 0.3333333 0.5773503 0.0772337), wk = 0.0046083 k( 193) = ( 0.3333333 0.5773503 0.1029783), wk = 0.0046083 k( 194) = ( 0.3333333 0.5773503 0.1287229), wk = 0.0046083 k( 195) = ( 0.3333333 0.5773503 0.1544674), wk = 0.0046083 k( 196) = ( 0.3333333 0.5773503 0.1802120), wk = 0.0046083 k( 197) = ( 0.3333333 0.5773503 0.2059566), wk = 0.0046083 k( 198) = ( 0.3333333 0.5773503 0.2317012), wk = 0.0046083 k( 199) = ( 0.3333333 0.5773503 0.2574457), wk = 0.0046083 k( 200) = ( 0.3333333 0.5773503 0.2831903), wk = 0.0046083 k( 201) = ( 0.3333333 0.5773503 0.3089349), wk = 0.0046083 k( 202) = ( 0.3333333 0.5773503 0.3346795), wk = 0.0046083 k( 203) = ( 0.3333333 0.5773503 0.3604240), wk = 0.0046083 k( 204) = ( 0.3333333 0.5773503 0.3861686), wk = 0.0046083 k( 205) = ( 0.3333333 0.5773503 0.4119132), wk = 0.0046083 k( 206) = ( 0.3333333 0.5773503 0.4376578), wk = 0.0046083 k( 207) = ( 0.3333333 0.5773503 0.4634023), wk = 0.0046083 k( 208) = ( 0.3333333 0.5773503 0.4891469), wk = 0.0046083 k( 209) = ( 0.3333333 0.5773503 0.5148915), wk = 0.0046083 k( 210) = ( 0.3333333 0.5773503 0.5406360), wk = 0.0046083 k( 211) = ( 0.3333333 0.5773503 0.5663806), wk = 0.0046083 k( 212) = ( 0.3333333 0.5773503 0.5921252), wk = 0.0046083 k( 213) = ( 0.3333333 0.5773503 0.6178698), wk = 0.0046083 k( 214) = ( 0.3333333 0.5773503 0.6436143), wk = 0.0046083 k( 215) = ( 0.3333333 0.5773503 0.6693589), wk = 0.0046083 k( 216) = ( 0.3333333 0.5773503 0.6951035), wk = 0.0046083 k( 217) = ( 0.3333333 0.5773503 0.7208481), wk = 0.0046083 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0046083 k( 3) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0046083 k( 4) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0046083 k( 5) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0046083 k( 6) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0046083 k( 7) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0046083 k( 8) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0046083 k( 9) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0046083 k( 10) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0046083 k( 11) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0046083 k( 12) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0046083 k( 13) = ( 0.2608696 0.0000000 -0.0000000), wk = 0.0046083 k( 14) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0046083 k( 15) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0046083 k( 16) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0046083 k( 17) = ( 0.3478261 -0.0000000 0.0000000), wk = 0.0046083 k( 18) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0046083 k( 19) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0046083 k( 20) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0046083 k( 21) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0046083 k( 22) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0046083 k( 23) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0046083 k( 24) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0046083 k( 25) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0046083 k( 26) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0046083 k( 27) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0046083 k( 28) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0046083 k( 29) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0046083 k( 30) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0046083 k( 31) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0046083 k( 32) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0046083 k( 33) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0046083 k( 34) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0046083 k( 35) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0046083 k( 36) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0046083 k( 37) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0046083 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046083 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046083 k( 40) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046083 k( 41) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046083 k( 42) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046083 k( 43) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046083 k( 44) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046083 k( 45) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046083 k( 46) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046083 k( 47) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046083 k( 48) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046083 k( 49) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046083 k( 50) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046083 k( 51) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046083 k( 52) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0046083 k( 53) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046083 k( 54) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046083 k( 55) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046083 k( 56) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0046083 k( 57) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046083 k( 58) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046083 k( 59) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046083 k( 60) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046083 k( 61) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0046083 k( 62) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046083 k( 63) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046083 k( 64) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046083 k( 65) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 66) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 67) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0046083 k( 68) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046083 k( 69) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0046083 k( 70) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046083 k( 71) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0046083 k( 72) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046083 k( 73) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0046083 k( 74) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046083 k( 75) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0046083 k( 76) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046083 k( 77) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0046083 k( 78) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046083 k( 79) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0046083 k( 80) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046083 k( 81) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0046083 k( 82) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046083 k( 83) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0046083 k( 84) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046083 k( 85) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0046083 k( 86) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046083 k( 87) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0046083 k( 88) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046083 k( 89) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0046083 k( 90) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046083 k( 91) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0046083 k( 92) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046083 k( 93) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0046083 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046083 k( 95) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046083 k( 96) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0046083 k( 97) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0046083 k( 98) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0046083 k( 99) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0046083 k( 100) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0046083 k( 101) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0046083 k( 102) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0046083 k( 103) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0046083 k( 104) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0046083 k( 105) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0046083 k( 106) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0046083 k( 107) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0046083 k( 108) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0046083 k( 109) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0046083 k( 110) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0046083 k( 111) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0046083 k( 112) = ( 0.3695652 -0.0000000 0.5000000), wk = 0.0046083 k( 113) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0046083 k( 114) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0046083 k( 115) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0046083 k( 116) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0046083 k( 117) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0046083 k( 118) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046083 k( 119) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046083 k( 120) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046083 k( 121) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046083 k( 122) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046083 k( 123) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046083 k( 124) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046083 k( 125) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046083 k( 126) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046083 k( 127) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046083 k( 128) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046083 k( 129) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046083 k( 130) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046083 k( 131) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046083 k( 132) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046083 k( 133) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046083 k( 134) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0046083 k( 135) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0046083 k( 136) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0046083 k( 137) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0046083 k( 138) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0046083 k( 139) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0046083 k( 140) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0046083 k( 141) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0046083 k( 142) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0046083 k( 143) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0046083 k( 144) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0046083 k( 145) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0046083 k( 146) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0046083 k( 147) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0046083 k( 148) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0046083 k( 149) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0046083 k( 150) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0046083 k( 151) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0046083 k( 152) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0046083 k( 153) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0046083 k( 154) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0046083 k( 155) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0046083 k( 156) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0046083 k( 157) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0046083 k( 158) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0046083 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046083 k( 160) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0046083 k( 161) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0046083 k( 162) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0046083 k( 163) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0046083 k( 164) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0046083 k( 165) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0046083 k( 166) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0046083 k( 167) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0046083 k( 168) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0046083 k( 169) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0046083 k( 170) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0046083 k( 171) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0046083 k( 172) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0046083 k( 173) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0046083 k( 174) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0046083 k( 175) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0046083 k( 176) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0046083 k( 177) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0046083 k( 178) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0046083 k( 179) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0046083 k( 180) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0046083 k( 181) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0046083 k( 182) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0046083 k( 183) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0046083 k( 184) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0046083 k( 185) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0046083 k( 186) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0046083 k( 187) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0046083 k( 188) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0046083 k( 189) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046083 k( 190) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0046083 k( 191) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0046083 k( 192) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0046083 k( 193) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0046083 k( 194) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0046083 k( 195) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0046083 k( 196) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0046083 k( 197) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0046083 k( 198) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0046083 k( 199) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0046083 k( 200) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0046083 k( 201) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0046083 k( 202) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0046083 k( 203) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0046083 k( 204) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0046083 k( 205) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0046083 k( 206) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0046083 k( 207) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0046083 k( 208) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0046083 k( 209) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0046083 k( 210) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0046083 k( 211) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0046083 k( 212) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0046083 k( 213) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0046083 k( 214) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0046083 k( 215) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0046083 k( 216) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0046083 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046083 Dense grid: 105115 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.81 Mb ( 758, 70) NL pseudopotentials 2.11 Mb ( 379, 364) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2920) G-vector shells 0.01 Mb ( 1246) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.24 Mb ( 758, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.78 Mb ( 364, 2, 70) The potential is recalculated from file : ./Zr5Al3.save/charge-density.dat Starting wfc are 228 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 10.5 secs Computing kpt #: 3 total cpu time spent up to now is 15.2 secs Computing kpt #: 4 total cpu time spent up to now is 20.2 secs Computing kpt #: 5 total cpu time spent up to now is 25.3 secs Computing kpt #: 6 total cpu time spent up to now is 30.6 secs Computing kpt #: 7 total cpu time spent up to now is 35.2 secs Computing kpt #: 8 total cpu time spent up to now is 39.6 secs Computing kpt #: 9 total cpu time spent up to now is 43.8 secs Computing kpt #: 10 total cpu time spent up to now is 47.7 secs Computing kpt #: 11 total cpu time spent up to now is 51.5 secs Computing kpt #: 12 total cpu time spent up to now is 56.3 secs Computing kpt #: 13 total cpu time spent up to now is 61.0 secs Computing kpt #: 14 total cpu time spent up to now is 64.8 secs Computing kpt #: 15 total cpu time spent up to now is 68.6 secs Computing kpt #: 16 total cpu time spent up to now is 72.3 secs Computing kpt #: 17 total cpu time spent up to now is 76.1 secs Computing kpt #: 18 total cpu time spent up to now is 80.0 secs Computing kpt #: 19 total cpu time spent up to now is 83.7 secs Computing kpt #: 20 total cpu time spent up to now is 87.4 secs Computing kpt #: 21 total cpu time spent up to now is 91.2 secs Computing kpt #: 22 total cpu time spent up to now is 95.1 secs Computing kpt #: 23 total cpu time spent up to now is 98.8 secs Computing kpt #: 24 total cpu time spent up to now is 102.5 secs Computing kpt #: 25 total cpu time spent up to now is 106.2 secs Computing kpt #: 26 total cpu time spent up to now is 109.9 secs Computing kpt #: 27 total cpu time spent up to now is 113.9 secs Computing kpt #: 28 total cpu time spent up to now is 117.8 secs Computing kpt #: 29 total cpu time spent up to now is 121.5 secs Computing kpt #: 30 total cpu time spent up to now is 124.9 secs Computing kpt #: 31 total cpu time spent up to now is 128.3 secs Computing kpt #: 32 total cpu time spent up to now is 131.7 secs Computing kpt #: 33 total cpu time spent up to now is 135.0 secs Computing kpt #: 34 total cpu time spent up to now is 138.3 secs Computing kpt #: 35 total cpu time spent up to now is 141.5 secs Computing kpt #: 36 total cpu time spent up to now is 144.7 secs Computing kpt #: 37 total cpu time spent up to now is 147.9 secs Computing kpt #: 38 total cpu time spent up to now is 151.0 secs Computing kpt #: 39 total cpu time spent up to now is 154.2 secs Computing kpt #: 40 total cpu time spent up to now is 157.3 secs Computing kpt #: 41 total cpu time spent up to now is 160.6 secs Computing kpt #: 42 total cpu time spent up to now is 163.8 secs Computing kpt #: 43 total cpu time spent up to now is 167.1 secs Computing kpt #: 44 total cpu time spent up to now is 170.4 secs Computing kpt #: 45 total cpu time spent up to now is 173.9 secs Computing kpt #: 46 total cpu time spent up to now is 177.6 secs Computing kpt #: 47 total cpu time spent up to now is 181.0 secs Computing kpt #: 48 total cpu time spent up to now is 184.5 secs Computing kpt #: 49 total cpu time spent up to now is 188.2 secs Computing kpt #: 50 total cpu time spent up to now is 192.1 secs Computing kpt #: 51 total cpu time spent up to now is 195.9 secs Computing kpt #: 52 total cpu time spent up to now is 199.7 secs Computing kpt #: 53 total cpu time spent up to now is 203.6 secs Computing kpt #: 54 total cpu time spent up to now is 207.7 secs Computing kpt #: 55 total cpu time spent up to now is 211.5 secs Computing kpt #: 56 total cpu time spent up to now is 215.4 secs Computing kpt #: 57 total cpu time spent up to now is 219.4 secs Computing kpt #: 58 total cpu time spent up to now is 223.7 secs Computing kpt #: 59 total cpu time spent up to now is 228.3 secs Computing kpt #: 60 total cpu time spent up to now is 232.6 secs Computing kpt #: 61 total cpu time spent up to now is 237.2 secs Computing kpt #: 62 total cpu time spent up to now is 241.5 secs Computing kpt #: 63 total cpu time spent up to now is 246.2 secs Computing kpt #: 64 total cpu time spent up to now is 250.9 secs Computing kpt #: 65 total cpu time spent up to now is 255.6 secs Computing kpt #: 66 total cpu time spent up to now is 259.7 secs Computing kpt #: 67 total cpu time spent up to now is 264.3 secs Computing kpt #: 68 total cpu time spent up to now is 269.0 secs Computing kpt #: 69 total cpu time spent up to now is 273.5 secs Computing kpt #: 70 total cpu time spent up to now is 278.2 secs Computing kpt #: 71 total cpu time spent up to now is 283.1 secs Computing kpt #: 72 total cpu time spent up to now is 287.0 secs Computing kpt #: 73 total cpu time spent up to now is 291.1 secs Computing kpt #: 74 total cpu time spent up to now is 295.3 secs Computing kpt #: 75 total cpu time spent up to now is 299.0 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.6 secs Computing kpt #: 77 total cpu time spent up to now is 308.5 secs Computing kpt #: 78 total cpu time spent up to now is 312.2 secs Computing kpt #: 79 total cpu time spent up to now is 315.6 secs Computing kpt #: 80 total cpu time spent up to now is 318.9 secs Computing kpt #: 81 total cpu time spent up to now is 322.7 secs Computing kpt #: 82 total cpu time spent up to now is 326.4 secs Computing kpt #: 83 total cpu time spent up to now is 330.4 secs Computing kpt #: 84 total cpu time spent up to now is 335.3 secs Computing kpt #: 85 total cpu time spent up to now is 340.7 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.3 secs Computing kpt #: 87 total cpu time spent up to now is 350.3 secs Computing kpt #: 88 total cpu time spent up to now is 354.6 secs Computing kpt #: 89 total cpu time spent up to now is 359.0 secs Computing kpt #: 90 total cpu time spent up to now is 363.5 secs Computing kpt #: 91 total cpu time spent up to now is 368.3 secs Computing kpt #: 92 total cpu time spent up to now is 373.0 secs Computing kpt #: 93 total cpu time spent up to now is 378.2 secs Computing kpt #: 94 total cpu time spent up to now is 382.9 secs Computing kpt #: 95 total cpu time spent up to now is 387.7 secs Computing kpt #: 96 total cpu time spent up to now is 392.4 secs Computing kpt #: 97 total cpu time spent up to now is 397.3 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 403.1 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.0 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.3 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.0 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.8 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.1 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.5 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.6 secs Computing kpt #: 109 total cpu time spent up to now is 466.0 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 471.5 secs Computing kpt #: 111 total cpu time spent up to now is 476.8 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.3 secs Computing kpt #: 113 total cpu time spent up to now is 486.6 secs Computing kpt #: 114 total cpu time spent up to now is 491.2 secs Computing kpt #: 115 total cpu time spent up to now is 496.2 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.7 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.3 secs Computing kpt #: 121 total cpu time spent up to now is 529.7 secs Computing kpt #: 122 total cpu time spent up to now is 534.4 secs Computing kpt #: 123 total cpu time spent up to now is 538.8 secs Computing kpt #: 124 total cpu time spent up to now is 543.2 secs Computing kpt #: 125 total cpu time spent up to now is 548.7 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.4 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 560.1 secs Computing kpt #: 128 total cpu time spent up to now is 565.6 secs Computing kpt #: 129 total cpu time spent up to now is 570.5 secs Computing kpt #: 130 total cpu time spent up to now is 575.3 secs Computing kpt #: 131 total cpu time spent up to now is 580.7 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.4 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 591.9 secs Computing kpt #: 134 total cpu time spent up to now is 596.4 secs Computing kpt #: 135 total cpu time spent up to now is 600.9 secs Computing kpt #: 136 total cpu time spent up to now is 605.0 secs Computing kpt #: 137 total cpu time spent up to now is 609.0 secs Computing kpt #: 138 total cpu time spent up to now is 613.3 secs Computing kpt #: 139 total cpu time spent up to now is 617.8 secs Computing kpt #: 140 total cpu time spent up to now is 622.6 secs Computing kpt #: 141 total cpu time spent up to now is 628.2 secs Computing kpt #: 142 total cpu time spent up to now is 633.5 secs Computing kpt #: 143 total cpu time spent up to now is 638.0 secs Computing kpt #: 144 total cpu time spent up to now is 642.3 secs Computing kpt #: 145 total cpu time spent up to now is 646.3 secs Computing kpt #: 146 total cpu time spent up to now is 650.6 secs Computing kpt #: 147 total cpu time spent up to now is 654.6 secs Computing kpt #: 148 total cpu time spent up to now is 659.0 secs Computing kpt #: 149 total cpu time spent up to now is 663.4 secs Computing kpt #: 150 total cpu time spent up to now is 667.9 secs Computing kpt #: 151 total cpu time spent up to now is 672.5 secs Computing kpt #: 152 total cpu time spent up to now is 677.1 secs Computing kpt #: 153 total cpu time spent up to now is 681.8 secs Computing kpt #: 154 total cpu time spent up to now is 686.5 secs Computing kpt #: 155 total cpu time spent up to now is 691.3 secs Computing kpt #: 156 total cpu time spent up to now is 696.0 secs Computing kpt #: 157 total cpu time spent up to now is 700.6 secs Computing kpt #: 158 total cpu time spent up to now is 705.4 secs Computing kpt #: 159 total cpu time spent up to now is 710.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.0 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 721.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 727.3 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 733.0 secs Computing kpt #: 164 total cpu time spent up to now is 737.3 secs Computing kpt #: 165 total cpu time spent up to now is 741.4 secs Computing kpt #: 166 total cpu time spent up to now is 745.5 secs Computing kpt #: 167 total cpu time spent up to now is 749.4 secs Computing kpt #: 168 total cpu time spent up to now is 753.3 secs Computing kpt #: 169 total cpu time spent up to now is 757.1 secs Computing kpt #: 170 total cpu time spent up to now is 760.8 secs Computing kpt #: 171 total cpu time spent up to now is 764.6 secs Computing kpt #: 172 total cpu time spent up to now is 768.0 secs Computing kpt #: 173 total cpu time spent up to now is 771.6 secs Computing kpt #: 174 total cpu time spent up to now is 775.0 secs Computing kpt #: 175 total cpu time spent up to now is 778.5 secs Computing kpt #: 176 total cpu time spent up to now is 781.9 secs Computing kpt #: 177 total cpu time spent up to now is 785.3 secs Computing kpt #: 178 total cpu time spent up to now is 788.7 secs Computing kpt #: 179 total cpu time spent up to now is 792.1 secs Computing kpt #: 180 total cpu time spent up to now is 795.5 secs Computing kpt #: 181 total cpu time spent up to now is 799.0 secs Computing kpt #: 182 total cpu time spent up to now is 802.4 secs Computing kpt #: 183 total cpu time spent up to now is 806.0 secs Computing kpt #: 184 total cpu time spent up to now is 809.8 secs Computing kpt #: 185 total cpu time spent up to now is 813.5 secs Computing kpt #: 186 total cpu time spent up to now is 817.2 secs Computing kpt #: 187 total cpu time spent up to now is 820.9 secs Computing kpt #: 188 total cpu time spent up to now is 824.8 secs Computing kpt #: 189 total cpu time spent up to now is 827.9 secs Computing kpt #: 190 total cpu time spent up to now is 831.1 secs Computing kpt #: 191 total cpu time spent up to now is 834.3 secs Computing kpt #: 192 total cpu time spent up to now is 837.5 secs Computing kpt #: 193 total cpu time spent up to now is 840.7 secs Computing kpt #: 194 total cpu time spent up to now is 843.9 secs Computing kpt #: 195 total cpu time spent up to now is 847.2 secs Computing kpt #: 196 total cpu time spent up to now is 850.6 secs Computing kpt #: 197 total cpu time spent up to now is 853.9 secs Computing kpt #: 198 total cpu time spent up to now is 857.2 secs Computing kpt #: 199 total cpu time spent up to now is 860.6 secs Computing kpt #: 200 total cpu time spent up to now is 863.9 secs Computing kpt #: 201 total cpu time spent up to now is 867.2 secs Computing kpt #: 202 total cpu time spent up to now is 870.6 secs Computing kpt #: 203 total cpu time spent up to now is 873.9 secs Computing kpt #: 204 total cpu time spent up to now is 877.2 secs Computing kpt #: 205 total cpu time spent up to now is 880.5 secs Computing kpt #: 206 total cpu time spent up to now is 883.9 secs Computing kpt #: 207 total cpu time spent up to now is 887.3 secs Computing kpt #: 208 total cpu time spent up to now is 890.7 secs Computing kpt #: 209 total cpu time spent up to now is 894.2 secs Computing kpt #: 210 total cpu time spent up to now is 897.8 secs Computing kpt #: 211 total cpu time spent up to now is 901.6 secs Computing kpt #: 212 total cpu time spent up to now is 905.7 secs Computing kpt #: 213 total cpu time spent up to now is 909.8 secs Computing kpt #: 214 total cpu time spent up to now is 914.5 secs Computing kpt #: 215 total cpu time spent up to now is 920.5 secs Computing kpt #: 216 total cpu time spent up to now is 926.3 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 931.8 secs ethr = 1.72E-08, avg # of iterations = 67.0 total cpu time spent up to now is 931.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13159 PWs) bands (ev): 0.2512 0.2512 2.2661 2.2661 2.2843 2.2843 3.3134 3.3134 3.3213 3.3213 3.7987 3.7987 3.9613 3.9613 4.7420 4.7420 4.9474 4.9474 4.9670 4.9670 5.1678 5.1678 5.5257 5.5257 5.5569 5.5569 6.0654 6.0654 6.0933 6.0933 6.4180 6.4180 6.7114 6.7114 6.7205 6.7205 6.8199 6.8199 6.8257 6.8257 6.8787 6.8787 6.8894 6.8894 7.0524 7.0524 7.1074 7.1074 7.2625 7.2625 7.2681 7.2681 7.4525 7.4525 7.5026 7.5026 7.5402 7.5402 7.6530 7.6530 7.6701 7.6701 8.2046 8.2046 8.2140 8.2140 8.2461 8.2461 8.7147 8.7147 k = 0.0217 0.0126-0.0000 ( 13173 PWs) bands (ev): 0.2528 0.2528 2.2635 2.2635 2.2819 2.2819 3.3121 3.3121 3.3207 3.3207 3.7990 3.7990 3.9647 3.9647 4.7428 4.7428 4.9430 4.9430 4.9642 4.9642 5.1776 5.1776 5.5279 5.5279 5.5590 5.5590 6.0630 6.0630 6.0912 6.0912 6.4184 6.4184 6.7113 6.7113 6.7201 6.7201 6.8180 6.8180 6.8239 6.8239 6.8732 6.8732 6.8869 6.8869 7.0612 7.0612 7.1130 7.1130 7.2632 7.2632 7.2692 7.2692 7.4523 7.4523 7.5030 7.5030 7.5404 7.5404 7.6524 7.6524 7.6697 7.6697 8.2012 8.2012 8.2147 8.2147 8.2468 8.2468 8.7130 8.7130 k = 0.0435 0.0251-0.0000 ( 13148 PWs) bands (ev): 0.2576 0.2576 2.2545 2.2545 2.2759 2.2759 3.3057 3.3057 3.3216 3.3216 3.7997 3.7997 3.9749 3.9749 4.7449 4.7449 4.9262 4.9262 4.9631 4.9631 5.2034 5.2034 5.5343 5.5343 5.5653 5.5653 6.0533 6.0533 6.0875 6.0875 6.4195 6.4195 6.7106 6.7106 6.7191 6.7191 6.8128 6.8128 6.8175 6.8175 6.8553 6.8553 6.8861 6.8861 7.0834 7.0834 7.1294 7.1294 7.2639 7.2639 7.2742 7.2742 7.4517 7.4517 7.5040 7.5040 7.5412 7.5412 7.6495 7.6495 7.6702 7.6702 8.1913 8.1913 8.2167 8.2167 8.2492 8.2492 8.7079 8.7079 k = 0.0652 0.0377-0.0000 ( 13146 PWs) bands (ev): 0.2656 0.2656 2.2373 2.2373 2.2687 2.2687 3.2933 3.2933 3.3248 3.3248 3.8011 3.8011 3.9915 3.9915 4.7486 4.7486 4.9005 4.9005 4.9662 4.9662 5.2390 5.2390 5.5448 5.5448 5.5756 5.5756 6.0337 6.0337 6.0860 6.0860 6.4211 6.4211 6.7079 6.7079 6.7173 6.7173 6.8028 6.8028 6.8059 6.8059 6.8353 6.8353 6.8876 6.8876 7.1122 7.1122 7.1555 7.1555 7.2637 7.2637 7.2836 7.2836 7.4506 7.4506 7.5056 7.5056 7.5426 7.5426 7.6424 7.6424 7.6735 7.6735 8.1753 8.1753 8.2195 8.2195 8.2532 8.2532 8.6993 8.6993 k = 0.0870 0.0502-0.0000 ( 13148 PWs) bands (ev): 0.2768 0.2768 2.2119 2.2119 2.2607 2.2607 3.2762 3.2762 3.3294 3.3294 3.8035 3.8035 4.0139 4.0139 4.7536 4.7536 4.8716 4.8716 4.9715 4.9715 5.2798 5.2798 5.5591 5.5591 5.5900 5.5900 6.0054 6.0054 6.0868 6.0868 6.4228 6.4228 6.7010 6.7010 6.7139 6.7139 6.7815 6.7815 6.7976 6.7976 6.8205 6.8205 6.8908 6.8908 7.1435 7.1435 7.1897 7.1897 7.2628 7.2628 7.2966 7.2966 7.4490 7.4490 7.5074 7.5074 7.5447 7.5447 7.6312 7.6312 7.6800 7.6800 8.1534 8.1534 8.2227 8.2227 8.2594 8.2594 8.6876 8.6876 k = 0.1087 0.0628-0.0000 ( 13130 PWs) bands (ev): 0.2911 0.2911 2.1794 2.1794 2.2516 2.2516 3.2553 3.2553 3.3348 3.3348 3.8071 3.8071 4.0412 4.0412 4.7601 4.7601 4.8424 4.8424 4.9784 4.9784 5.3231 5.3231 5.5768 5.5768 5.6083 5.6083 5.9707 5.9707 6.0890 6.0890 6.4241 6.4241 6.6865 6.6865 6.7073 6.7073 6.7601 6.7601 6.7920 6.7920 6.8087 6.8087 6.8957 6.8957 7.1752 7.1752 7.2302 7.2302 7.2613 7.2613 7.3127 7.3127 7.4468 7.4468 7.5093 7.5093 7.5473 7.5473 7.6172 7.6172 7.6892 7.6892 8.1261 8.1261 8.2257 8.2257 8.2676 8.2676 8.6732 8.6732 k = 0.1304 0.0753-0.0000 ( 13134 PWs) bands (ev): 0.3086 0.3086 2.1408 2.1408 2.2415 2.2415 3.2312 3.2312 3.3404 3.3404 3.8123 3.8123 4.0726 4.0726 4.7680 4.7680 4.8147 4.8147 4.9864 4.9864 5.3667 5.3667 5.5978 5.5978 5.6305 5.6305 5.9314 5.9314 6.0921 6.0921 6.4243 6.4243 6.6635 6.6635 6.6951 6.6951 6.7447 6.7447 6.7881 6.7881 6.8007 6.8007 6.9023 6.9023 7.2062 7.2062 7.2592 7.2592 7.2748 7.2748 7.3318 7.3318 7.4439 7.4439 7.5111 7.5111 7.5505 7.5505 7.6011 7.6011 7.7009 7.7009 8.0941 8.0941 8.2282 8.2282 8.2778 8.2778 8.6567 8.6567 k = 0.1522 0.0879-0.0000 ( 13132 PWs) bands (ev): 0.3291 0.3291 2.0968 2.0968 2.2305 2.2305 3.2049 3.2049 3.3458 3.3458 3.8195 3.8195 4.1068 4.1068 4.7773 4.7773 4.7896 4.7896 4.9951 4.9951 5.4087 5.4087 5.6219 5.6219 5.6563 5.6563 5.8889 5.8889 6.0959 6.0959 6.4227 6.4227 6.6350 6.6350 6.6769 6.6769 6.7353 6.7353 6.7783 6.7783 6.8042 6.8042 6.9106 6.9106 7.2355 7.2355 7.2563 7.2563 7.3203 7.3203 7.3548 7.3548 7.4404 7.4404 7.5126 7.5126 7.5536 7.5536 7.5838 7.5838 7.7152 7.7152 8.0583 8.0583 8.2301 8.2301 8.2898 8.2898 8.6392 8.6392 k = 0.1739 0.1004-0.0000 ( 13136 PWs) bands (ev): 0.3526 0.3526 2.0482 2.0482 2.2187 2.2187 3.1771 3.1771 3.3506 3.3506 3.8289 3.8289 4.1425 4.1425 4.7680 4.7680 4.7881 4.7881 5.0041 5.0041 5.4475 5.4475 5.6494 5.6494 5.6853 5.6853 5.8443 5.8443 6.1003 6.1003 6.4181 6.4181 6.6049 6.6049 6.6548 6.6548 6.7296 6.7296 6.7654 6.7654 6.8154 6.8154 6.9206 6.9206 7.2523 7.2523 7.2626 7.2626 7.3586 7.3586 7.3877 7.3877 7.4363 7.4363 7.5140 7.5140 7.5558 7.5558 7.5665 7.5665 7.7322 7.7322 8.0197 8.0197 8.2310 8.2310 8.3029 8.3029 8.6216 8.6216 k = 0.1957 0.1130-0.0000 ( 13124 PWs) bands (ev): 0.3791 0.3791 1.9956 1.9956 2.2064 2.2064 3.1485 3.1485 3.3543 3.3543 3.8408 3.8408 4.1782 4.1782 4.7518 4.7518 4.8001 4.8001 5.0130 5.0130 5.4816 5.4816 5.6799 5.6799 5.7172 5.7172 5.7985 5.7985 6.1051 6.1051 6.4096 6.4096 6.5756 6.5756 6.6315 6.6315 6.7256 6.7256 6.7518 6.7518 6.8310 6.8310 6.9323 6.9323 7.2473 7.2473 7.2866 7.2866 7.3862 7.3862 7.4281 7.4281 7.4356 7.4356 7.5152 7.5152 7.5472 7.5472 7.5591 7.5591 7.7523 7.7523 7.9797 7.9797 8.2308 8.2308 8.3169 8.3169 8.6051 8.6052 k = 0.2174 0.1255-0.0000 ( 13140 PWs) bands (ev): 0.4085 0.4085 1.9397 1.9397 2.1939 2.1939 3.1197 3.1197 3.3569 3.3569 3.8552 3.8552 4.2119 4.2119 4.7420 4.7420 4.8134 4.8134 5.0213 5.0213 5.5104 5.5104 5.7127 5.7127 5.7488 5.7488 5.7547 5.7547 6.1104 6.1104 6.3965 6.3965 6.5487 6.5487 6.6093 6.6093 6.7226 6.7226 6.7382 6.7382 6.8499 6.8499 6.9458 6.9458 7.2409 7.2409 7.3071 7.3071 7.4098 7.4098 7.4264 7.4264 7.4789 7.4789 7.5161 7.5161 7.5312 7.5312 7.5580 7.5580 7.7761 7.7761 7.9400 7.9400 8.2293 8.2293 8.3312 8.3312 8.5908 8.5908 k = 0.2391 0.1381-0.0000 ( 13128 PWs) bands (ev): 0.4406 0.4406 1.8810 1.8810 2.1814 2.1814 3.0914 3.0914 3.3582 3.3582 3.8720 3.8720 4.2418 4.2418 4.7404 4.7404 4.8280 4.8280 5.0284 5.0284 5.5341 5.5341 5.7053 5.7053 5.7463 5.7463 5.7872 5.7872 6.1160 6.1160 6.3786 6.3786 6.5252 6.5252 6.5897 6.5897 6.7200 6.7200 6.7250 6.7250 6.8712 6.8712 6.9609 6.9609 7.2331 7.2331 7.3232 7.3232 7.4169 7.4169 7.4375 7.4375 7.5120 7.5120 7.5183 7.5183 7.5247 7.5247 7.5541 7.5541 7.8038 7.8038 7.9028 7.9028 8.2266 8.2266 8.3455 8.3455 8.5793 8.5794 k = 0.2609 0.1506-0.0000 ( 13118 PWs) bands (ev): 0.4754 0.4754 1.8203 1.8203 2.1692 2.1692 3.0639 3.0639 3.3582 3.3582 3.8910 3.8910 4.2662 4.2662 4.7484 4.7484 4.8437 4.8437 5.0341 5.0341 5.5533 5.5533 5.6597 5.6597 5.7778 5.7778 5.8238 5.8238 6.1217 6.1217 6.3569 6.3569 6.5057 6.5057 6.5735 6.5735 6.7119 6.7119 6.7181 6.7181 6.8942 6.8942 6.9777 6.9777 7.2239 7.2239 7.3346 7.3346 7.4108 7.4108 7.4609 7.4609 7.5007 7.5007 7.5180 7.5180 7.5418 7.5418 7.5651 7.5651 7.8352 7.8352 7.8716 7.8716 8.2229 8.2229 8.3595 8.3595 8.5711 8.5711 k = 0.2826 0.1632-0.0000 ( 13130 PWs) bands (ev): 0.5128 0.5128 1.7580 1.7580 2.1573 2.1573 3.0378 3.0378 3.3571 3.3571 3.9117 3.9117 4.2839 4.2839 4.7665 4.7665 4.8606 4.8606 5.0380 5.0380 5.5681 5.5681 5.6153 5.6153 5.8046 5.8046 5.8610 5.8610 6.1276 6.1276 6.3337 6.3337 6.4909 6.4909 6.5603 6.5603 6.6997 6.6997 6.7161 6.7161 6.9182 6.9182 6.9961 6.9961 7.2135 7.2135 7.3406 7.3406 7.4033 7.4033 7.4847 7.4847 7.4893 7.4893 7.5156 7.5156 7.5288 7.5288 7.5980 7.5980 7.8422 7.8422 7.8761 7.8761 8.2190 8.2190 8.3728 8.3728 8.5658 8.5658 k = 0.3043 0.1757-0.0000 ( 13122 PWs) bands (ev): 0.5525 0.5525 1.6946 1.6946 2.1460 2.1460 3.0133 3.0133 3.3552 3.3552 3.9336 3.9336 4.2950 4.2950 4.7945 4.7945 4.8784 4.8784 5.0399 5.0399 5.5659 5.5659 5.5863 5.5863 5.8234 5.8234 5.8983 5.8983 6.1334 6.1334 6.3118 6.3118 6.4810 6.4810 6.5495 6.5495 6.6883 6.6883 6.7143 6.7143 6.9423 6.9423 7.0160 7.0160 7.2022 7.2022 7.3410 7.3410 7.3950 7.3950 7.4788 7.4788 7.4989 7.4989 7.5087 7.5087 7.5231 7.5231 7.6259 7.6259 7.8257 7.8257 7.9157 7.9157 8.2157 8.2157 8.3853 8.3853 8.5629 8.5629 k = 0.3261 0.1883-0.0000 ( 13126 PWs) bands (ev): 0.5942 0.5942 1.6308 1.6308 2.1355 2.1355 2.9908 2.9908 3.3526 3.3526 3.9562 3.9562 4.3003 4.3003 4.8309 4.8309 4.8971 4.8971 5.0397 5.0397 5.5265 5.5265 5.5934 5.5934 5.8318 5.8318 5.9350 5.9350 6.1390 6.1390 6.2945 6.2945 6.4761 6.4761 6.5405 6.5405 6.6779 6.6779 6.7127 6.7127 6.9660 6.9660 7.0371 7.0371 7.1904 7.1904 7.3349 7.3349 7.3858 7.3858 7.4664 7.4664 7.4764 7.4764 7.5214 7.5214 7.5332 7.5332 7.6483 7.6483 7.8151 7.8151 7.9589 7.9589 8.2142 8.2142 8.3967 8.3967 8.5611 8.5611 k = 0.3478 0.2008-0.0000 ( 13126 PWs) bands (ev): 0.6378 0.6378 1.5672 1.5672 2.1260 2.1260 2.9705 2.9705 3.3497 3.3497 3.9786 3.9786 4.3013 4.3013 4.8736 4.8736 4.9164 4.9164 5.0376 5.0376 5.4864 5.4864 5.6009 5.6009 5.8281 5.8281 5.9704 5.9704 6.1444 6.1444 6.2838 6.2838 6.4760 6.4760 6.5327 6.5327 6.6684 6.6684 6.7112 6.7112 6.9884 6.9884 7.0592 7.0592 7.1785 7.1785 7.3214 7.3214 7.3755 7.3755 7.4417 7.4417 7.4671 7.4671 7.5217 7.5217 7.5557 7.5557 7.6656 7.6656 7.8091 7.8091 8.0036 8.0036 8.2151 8.2151 8.4068 8.4068 8.5586 8.5586 k = 0.3696 0.2134-0.0000 ( 13130 PWs) bands (ev): 0.6827 0.6827 1.5043 1.5043 2.1174 2.1174 2.9525 2.9525 3.3466 3.3466 4.0003 4.0003 4.2996 4.2996 4.9203 4.9203 4.9360 4.9360 5.0339 5.0339 5.4483 5.4483 5.6068 5.6068 5.8129 5.8129 6.0037 6.0037 6.1494 6.1494 6.2802 6.2802 6.4801 6.4801 6.5257 6.5257 6.6600 6.6600 6.7098 6.7098 7.0091 7.0091 7.0816 7.0816 7.1671 7.1671 7.2996 7.2996 7.3644 7.3644 7.4182 7.4182 7.4619 7.4619 7.5218 7.5218 7.5776 7.5776 7.6785 7.6785 7.8058 7.8058 8.0483 8.0483 8.2189 8.2189 8.4157 8.4157 8.5528 8.5528 k = 0.3913 0.2259-0.0000 ( 13132 PWs) bands (ev): 0.7283 0.7283 1.4433 1.4433 2.1100 2.1100 2.9371 2.9371 3.3436 3.3436 4.0205 4.0205 4.2963 4.2963 4.9552 4.9552 4.9689 4.9689 5.0293 5.0293 5.4130 5.4130 5.6108 5.6108 5.7889 5.7889 6.0340 6.0340 6.1540 6.1540 6.2822 6.2822 6.4874 6.4874 6.5195 6.5195 6.6529 6.6529 6.7085 6.7085 7.0276 7.0276 7.1039 7.1039 7.1566 7.1566 7.2711 7.2711 7.3529 7.3529 7.4001 7.4001 7.4583 7.4583 7.5218 7.5218 7.5985 7.5985 7.6872 7.6872 7.8037 7.8037 8.0915 8.0915 8.2253 8.2253 8.4233 8.4233 8.5410 8.5410 k = 0.4130 0.2385-0.0000 ( 13128 PWs) bands (ev): 0.7735 0.7735 1.3851 1.3851 2.1039 2.1039 2.9244 2.9244 3.3409 3.3409 4.0383 4.0383 4.2926 4.2926 4.9735 4.9735 5.0163 5.0163 5.0244 5.0244 5.3812 5.3812 5.6128 5.6128 5.7599 5.7599 6.0606 6.0606 6.1579 6.1579 6.2878 6.2878 6.4969 6.4969 6.5139 6.5139 6.6469 6.6469 6.7074 6.7074 7.0433 7.0433 7.1250 7.1250 7.1476 7.1476 7.2400 7.2400 7.3415 7.3415 7.3866 7.3866 7.4556 7.4556 7.5217 7.5217 7.6179 7.6179 7.6921 7.6921 7.8020 7.8020 8.1319 8.1319 8.2337 8.2337 8.4296 8.4296 8.5239 8.5239 k = 0.4348 0.2510-0.0000 ( 13136 PWs) bands (ev): 0.8165 0.8165 1.3320 1.3320 2.0990 2.0990 2.9144 2.9144 3.3386 3.3386 4.0531 4.0531 4.2891 4.2891 4.9894 4.9894 5.0204 5.0204 5.0600 5.0600 5.3539 5.3539 5.6124 5.6124 5.7310 5.7310 6.0823 6.0823 6.1612 6.1612 6.2947 6.2947 6.5067 6.5067 6.5093 6.5093 6.6422 6.6422 6.7064 6.7064 7.0559 7.0559 7.1397 7.1397 7.1446 7.1446 7.2108 7.2108 7.3308 7.3308 7.3765 7.3765 7.4538 7.4538 7.5216 7.5216 7.6355 7.6355 7.6935 7.6935 7.8005 7.8005 8.1680 8.1680 8.2427 8.2427 8.4345 8.4345 8.5048 8.5048 k = 0.4565 0.2636-0.0000 ( 13116 PWs) bands (ev): 0.8541 0.8541 1.2869 1.2869 2.0955 2.0955 2.9072 2.9072 3.3369 3.3369 4.0642 4.0642 4.2862 4.2862 5.0002 5.0002 5.0194 5.0194 5.0962 5.0962 5.3326 5.3326 5.6095 5.6095 5.7071 5.7071 6.0986 6.0986 6.1635 6.1635 6.3009 6.3009 6.5054 6.5054 6.5159 6.5159 6.6389 6.6389 6.7056 6.7056 7.0651 7.0651 7.1347 7.1347 7.1599 7.1599 7.1873 7.1873 7.3215 7.3215 7.3693 7.3693 7.4526 7.4526 7.5214 7.5214 7.6510 7.6510 7.6917 7.6917 7.7992 7.7992 8.1975 8.1975 8.2508 8.2508 8.4382 8.4382 8.4868 8.4868 k = 0.4783 0.2761-0.0000 ( 13120 PWs) bands (ev): 0.8813 0.8813 1.2553 1.2553 2.0934 2.0934 2.9029 2.9029 3.3359 3.3359 4.0711 4.0711 4.2844 4.2844 5.0038 5.0038 5.0225 5.0225 5.1207 5.1207 5.3188 5.3188 5.6053 5.6053 5.6921 5.6921 6.1087 6.1087 6.1650 6.1650 6.3052 6.3052 6.5030 6.5030 6.5220 6.5220 6.6368 6.6368 6.7052 6.7052 7.0706 7.0706 7.1315 7.1315 7.1681 7.1681 7.1744 7.1744 7.3149 7.3149 7.3649 7.3649 7.4519 7.4519 7.5213 7.5213 7.6637 7.6637 7.6874 7.6874 7.7983 7.7983 8.2174 8.2174 8.2565 8.2565 8.4406 8.4406 8.4735 8.4735 k = 0.5000 0.2887-0.0000 ( 13120 PWs) bands (ev): 0.8915 0.8915 1.2436 1.2436 2.0927 2.0927 2.9015 2.9015 3.3355 3.3355 4.0735 4.0735 4.2838 4.2838 5.0041 5.0041 5.0245 5.0245 5.1294 5.1294 5.3139 5.3139 5.6032 5.6032 5.6872 5.6872 6.1121 6.1121 6.1655 6.1655 6.3068 6.3068 6.5022 6.5022 6.5242 6.5242 6.6362 6.6362 6.7050 6.7050 7.0725 7.0725 7.1305 7.1305 7.1652 7.1652 7.1758 7.1758 7.3124 7.3124 7.3634 7.3634 7.4517 7.4517 7.5213 7.5213 7.6702 7.6702 7.6836 7.6836 7.7980 7.7980 8.2246 8.2246 8.2586 8.2586 8.4415 8.4415 8.4684 8.4684 k = 0.5000 0.2887-0.0000 ( 13120 PWs) bands (ev): 0.8915 0.8915 1.2436 1.2436 2.0927 2.0927 2.9015 2.9015 3.3355 3.3355 4.0735 4.0735 4.2838 4.2838 5.0041 5.0041 5.0245 5.0245 5.1294 5.1294 5.3139 5.3139 5.6032 5.6032 5.6872 5.6872 6.1121 6.1121 6.1655 6.1655 6.3068 6.3068 6.5022 6.5022 6.5242 6.5242 6.6362 6.6362 6.7050 6.7050 7.0725 7.0725 7.1305 7.1305 7.1652 7.1652 7.1758 7.1758 7.3124 7.3124 7.3634 7.3634 7.4517 7.4517 7.5213 7.5213 7.6702 7.6702 7.6836 7.6836 7.7980 7.7980 8.2246 8.2246 8.2586 8.2586 8.4415 8.4415 8.4684 8.4684 k = 0.4872 0.3109-0.0000 ( 13122 PWs) bands (ev): 0.8930 0.8930 1.2440 1.2440 2.0885 2.0885 2.8980 2.8980 3.3422 3.3422 4.0712 4.0712 4.2866 4.2866 4.9919 4.9919 5.0222 5.0222 5.1482 5.1482 5.3130 5.3130 5.5989 5.5989 5.6887 5.6887 6.1125 6.1125 6.1645 6.1645 6.2994 6.2994 6.4724 6.4724 6.5567 6.5567 6.6372 6.6372 6.7106 6.7106 7.0646 7.0646 7.1309 7.1309 7.1711 7.1711 7.1768 7.1768 7.3118 7.3118 7.3642 7.3642 7.4473 7.4473 7.5218 7.5218 7.6742 7.6742 7.6835 7.6835 7.7959 7.7959 8.2256 8.2256 8.2571 8.2571 8.4387 8.4387 8.4689 8.4689 k = 0.4744 0.3331-0.0000 ( 13134 PWs) bands (ev): 0.8975 0.8975 1.2450 1.2450 2.0764 2.0764 2.8885 2.8885 3.3612 3.3612 4.0643 4.0643 4.2950 4.2950 4.9625 4.9625 5.0229 5.0229 5.1896 5.1896 5.3102 5.3102 5.5852 5.5852 5.6938 5.6938 6.1136 6.1136 6.1616 6.1616 6.2790 6.2790 6.4362 6.4362 6.6006 6.6006 6.6404 6.6404 6.7253 6.7253 7.0462 7.0462 7.1327 7.1327 7.1748 7.1748 7.1887 7.1887 7.3101 7.3101 7.3665 7.3665 7.4351 7.4351 7.5232 7.5232 7.6827 7.6827 7.6855 7.6855 7.7898 7.7898 8.2288 8.2288 8.2530 8.2530 8.4322 8.4322 8.4694 8.4694 k = 0.4615 0.3553-0.0000 ( 13128 PWs) bands (ev): 0.9050 0.9050 1.2465 1.2465 2.0569 2.0569 2.8748 2.8748 3.3903 3.3903 4.0530 4.0530 4.3084 4.3084 4.9303 4.9303 5.0264 5.0264 5.2399 5.2399 5.3056 5.3056 5.5616 5.5616 5.7037 5.7037 6.1152 6.1152 6.1571 6.1571 6.2491 6.2491 6.4017 6.4017 6.6432 6.6432 6.6498 6.6498 6.7441 6.7441 7.0249 7.0249 7.1363 7.1363 7.1753 7.1753 7.2057 7.2057 7.3075 7.3075 7.3701 7.3701 7.4173 7.4173 7.5257 7.5257 7.6822 7.6822 7.7011 7.7011 7.7799 7.7799 8.2338 8.2338 8.2465 8.2465 8.4248 8.4248 8.4685 8.4685 k = 0.4487 0.3775-0.0000 ( 13112 PWs) bands (ev): 0.9155 0.9155 1.2481 1.2481 2.0311 2.0311 2.8592 2.8592 3.4265 3.4265 4.0377 4.0377 4.3260 4.3260 4.9011 4.9011 5.0318 5.0318 5.2918 5.2918 5.3022 5.3022 5.5290 5.5290 5.7182 5.7182 6.1166 6.1166 6.1513 6.1513 6.2134 6.2134 6.3694 6.3694 6.6512 6.6512 6.6974 6.6974 6.7601 6.7601 7.0067 7.0067 7.1415 7.1415 7.1758 7.1758 7.2215 7.2215 7.3045 7.3045 7.3744 7.3744 7.3960 7.3960 7.5290 7.5290 7.6813 7.6813 7.7197 7.7197 7.7669 7.7669 8.2360 8.2360 8.2427 8.2427 8.4181 8.4181 8.4662 8.4662 k = 0.4359 0.3997-0.0000 ( 13130 PWs) bands (ev): 0.9289 0.9289 1.2495 1.2495 2.0004 2.0004 2.8432 2.8432 3.4675 3.4675 4.0189 4.0189 4.3463 4.3463 4.8775 4.8775 5.0388 5.0388 5.2896 5.2896 5.3542 5.3542 5.4888 5.4888 5.7362 5.7362 6.1165 6.1165 6.1448 6.1448 6.1748 6.1748 6.3407 6.3407 6.6585 6.6585 6.7459 6.7459 6.7682 6.7682 6.9971 6.9971 7.1480 7.1480 7.1764 7.1764 7.2338 7.2338 7.3020 7.3020 7.3722 7.3722 7.3799 7.3799 7.5334 7.5334 7.6802 7.6802 7.7392 7.7392 7.7516 7.7516 8.2264 8.2264 8.2509 8.2509 8.4126 8.4126 8.4625 8.4625 k = 0.4231 0.4219-0.0000 ( 13120 PWs) bands (ev): 0.9453 0.9453 1.2497 1.2497 1.9666 1.9666 2.8280 2.8280 3.5112 3.5112 3.9969 3.9969 4.3676 4.3676 4.8615 4.8615 5.0476 5.0476 5.2792 5.2792 5.4145 5.4145 5.4428 5.4428 5.7565 5.7565 6.1122 6.1122 6.1338 6.1338 6.1394 6.1394 6.3182 6.3182 6.6662 6.6662 6.7536 6.7536 6.8030 6.8030 6.9994 6.9994 7.1555 7.1555 7.1771 7.1771 7.2402 7.2402 7.3021 7.3021 7.3488 7.3488 7.3842 7.3842 7.5387 7.5387 7.6790 7.6790 7.7334 7.7334 7.7596 7.7596 8.2150 8.2150 8.2615 8.2615 8.4085 8.4085 8.4575 8.4575 k = 0.4103 0.4441-0.0000 ( 13128 PWs) bands (ev): 0.9646 0.9646 1.2482 1.2482 1.9316 1.9316 2.8143 2.8143 3.5561 3.5561 3.9724 3.9724 4.3877 4.3877 4.8553 4.8553 5.0580 5.0580 5.2668 5.2668 5.3926 5.3926 5.4767 5.4767 5.7774 5.7774 6.0951 6.0951 6.1008 6.1008 6.1315 6.1315 6.3062 6.3062 6.6740 6.6740 6.7309 6.7309 6.8541 6.8541 7.0114 7.0114 7.1638 7.1638 7.1777 7.1777 7.2391 7.2391 7.3058 7.3058 7.3258 7.3258 7.3882 7.3882 7.5451 7.5451 7.6777 7.6777 7.7148 7.7148 7.7783 7.7783 8.2033 8.2033 8.2737 8.2737 8.4057 8.4057 8.4511 8.4511 k = 0.3974 0.4663-0.0000 ( 13136 PWs) bands (ev): 0.9868 0.9868 1.2436 1.2436 1.8975 1.8975 2.8025 2.8025 3.6009 3.6009 3.9457 3.9457 4.4045 4.4045 4.8606 4.8606 5.0702 5.0702 5.2525 5.2525 5.3393 5.3393 5.5403 5.5403 5.7978 5.7978 6.0584 6.0584 6.0776 6.0776 6.1252 6.1252 6.3077 6.3077 6.6811 6.6811 6.6976 6.6976 6.9050 6.9050 7.0281 7.0281 7.1721 7.1721 7.1787 7.1787 7.2311 7.2311 7.3011 7.3011 7.3156 7.3156 7.3912 7.3912 7.5524 7.5524 7.6765 7.6765 7.6957 7.6957 7.7955 7.7955 8.1920 8.1920 8.2872 8.2872 8.4040 8.4040 8.4434 8.4434 k = 0.3846 0.4885-0.0000 ( 13136 PWs) bands (ev): 1.0118 1.0118 1.2348 1.2348 1.8665 1.8665 2.7927 2.7927 3.6447 3.6447 3.9174 3.9174 4.4166 4.4166 4.8782 4.8782 5.0840 5.0840 5.2362 5.2362 5.2842 5.2842 5.6047 5.6047 5.8165 5.8165 6.0239 6.0239 6.0445 6.0445 6.1198 6.1198 6.3228 6.3228 6.6573 6.6573 6.6880 6.6880 6.9545 6.9545 7.0452 7.0452 7.1758 7.1758 7.1839 7.1839 7.2181 7.2181 7.2812 7.2812 7.3237 7.3237 7.3929 7.3929 7.5609 7.5609 7.6746 7.6746 7.6773 7.6773 7.8105 7.8105 8.1818 8.1818 8.3020 8.3020 8.4028 8.4028 8.4343 8.4343 k = 0.3718 0.5107-0.0000 ( 13140 PWs) bands (ev): 1.0396 1.0396 1.2206 1.2206 1.8406 1.8406 2.7849 2.7849 3.6867 3.6867 3.8879 3.8879 4.4238 4.4238 4.9078 4.9078 5.0996 5.0996 5.2161 5.2161 5.2301 5.2301 5.6694 5.6694 5.8327 5.8327 5.9928 5.9928 6.0035 6.0035 6.1157 6.1157 6.3491 6.3491 6.6136 6.6136 6.6933 6.6933 7.0014 7.0014 7.0599 7.0599 7.1750 7.1750 7.1913 7.1913 7.2028 7.2028 7.2627 7.2627 7.3325 7.3325 7.3932 7.3932 7.5704 7.5704 7.6577 7.6577 7.6747 7.6747 7.8228 7.8228 8.1734 8.1734 8.3179 8.3179 8.4017 8.4017 8.4242 8.4242 k = 0.3590 0.5329-0.0000 ( 13142 PWs) bands (ev): 1.0700 1.0700 1.2001 1.2001 1.8213 1.8213 2.7793 2.7793 3.7263 3.7263 3.8576 3.8576 4.4270 4.4270 4.9479 4.9479 5.1166 5.1166 5.1691 5.1691 5.2012 5.2012 5.7337 5.7337 5.8460 5.8460 5.9570 5.9570 5.9662 5.9662 6.1127 6.1127 6.3840 6.3840 6.5675 6.5675 6.6972 6.6972 7.0444 7.0444 7.0714 7.0714 7.1713 7.1713 7.1808 7.1808 7.2038 7.2038 7.2469 7.2469 7.3402 7.3402 7.3924 7.3924 7.5811 7.5811 7.6403 7.6403 7.6740 7.6740 7.8320 7.8320 8.1672 8.1672 8.3348 8.3348 8.3983 8.3983 8.4146 8.4146 k = 0.3462 0.5551-0.0000 ( 13118 PWs) bands (ev): 1.1031 1.1031 1.1728 1.1728 1.8097 1.8097 2.7760 2.7760 3.7628 3.7628 3.8269 3.8269 4.4277 4.4277 4.9958 4.9958 5.1105 5.1105 5.1383 5.1383 5.1803 5.1803 5.7962 5.7962 5.8562 5.8562 5.9068 5.9068 5.9454 5.9454 6.1110 6.1110 6.4254 6.4254 6.5202 6.5202 6.6995 6.6995 7.0720 7.0720 7.0888 7.0888 7.1547 7.1547 7.1726 7.1726 7.2115 7.2115 7.2347 7.2347 7.3454 7.3454 7.3912 7.3912 7.5925 7.5925 7.6246 7.6246 7.6737 7.6737 7.8377 7.8377 8.1634 8.1634 8.3524 8.3524 8.3882 8.3882 8.4098 8.4098 k = 0.3333 0.5774-0.0000 ( 13104 PWs) bands (ev): 1.1377 1.1377 1.1400 1.1400 1.8059 1.8059 2.7748 2.7748 3.7933 3.7933 3.7984 3.7984 4.4276 4.4276 5.0377 5.0377 5.0671 5.0671 5.1560 5.1560 5.1610 5.1610 5.8511 5.8511 5.8532 5.8532 5.8653 5.8653 5.9354 5.9354 6.1104 6.1104 6.4664 6.4664 6.4775 6.4775 6.7003 6.7003 7.0758 7.0758 7.1094 7.1094 7.1393 7.1393 7.1702 7.1702 7.2155 7.2155 7.2292 7.2292 7.3472 7.3472 7.3907 7.3907 7.6005 7.6005 7.6152 7.6152 7.6736 7.6736 7.8396 7.8396 8.1622 8.1622 8.3674 8.3674 8.3753 8.3753 8.4088 8.4088 k = 0.3333 0.5774-0.0000 ( 13104 PWs) bands (ev): 1.1377 1.1377 1.1400 1.1400 1.8059 1.8059 2.7748 2.7748 3.7933 3.7933 3.7984 3.7984 4.4276 4.4276 5.0377 5.0377 5.0671 5.0671 5.1560 5.1560 5.1610 5.1610 5.8511 5.8511 5.8532 5.8532 5.8653 5.8653 5.9354 5.9354 6.1104 6.1104 6.4664 6.4664 6.4775 6.4775 6.7003 6.7003 7.0758 7.0758 7.1094 7.1094 7.1393 7.1393 7.1702 7.1702 7.2155 7.2155 7.2292 7.2292 7.3472 7.3472 7.3907 7.3907 7.6005 7.6005 7.6152 7.6152 7.6736 7.6736 7.8396 7.8396 8.1622 8.1622 8.3674 8.3674 8.3753 8.3753 8.4088 8.4088 k = 0.3205 0.5551-0.0000 ( 13119 PWs) bands (ev): 1.0992 1.0992 1.1770 1.1770 1.8094 1.8094 2.7760 2.7760 3.7648 3.7648 3.8248 3.8248 4.4281 4.4281 4.9938 4.9938 5.1117 5.1117 5.1371 5.1371 5.1817 5.1817 5.7984 5.7984 5.8691 5.8691 5.8823 5.8823 5.9551 5.9551 6.1109 6.1109 6.4239 6.4239 6.5214 6.5214 6.6996 6.6996 7.0730 7.0730 7.0905 7.0905 7.1470 7.1470 7.1776 7.1776 7.2130 7.2130 7.2331 7.2331 7.3458 7.3458 7.3911 7.3911 7.5927 7.5927 7.6243 7.6243 7.6736 7.6736 7.8376 7.8376 8.1634 8.1634 8.3505 8.3505 8.3897 8.3897 8.4100 8.4100 k = 0.3077 0.5329-0.0000 ( 13133 PWs) bands (ev): 1.0549 1.0549 1.2176 1.2176 1.8194 1.8194 2.7795 2.7795 3.7342 3.7342 3.8492 3.8492 4.4302 4.4302 4.9385 4.9385 5.1115 5.1115 5.1737 5.1737 5.2071 5.2071 5.7424 5.7424 5.8713 5.8713 5.8858 5.8858 6.0052 6.0052 6.1123 6.1123 6.3772 6.3772 6.5715 6.5715 6.6976 6.6976 7.0547 7.0547 7.0706 7.0706 7.1442 7.1442 7.1983 7.1983 7.2109 7.2109 7.2395 7.2395 7.3431 7.3431 7.3918 7.3918 7.5821 7.5821 7.6391 7.6391 7.6738 7.6738 7.8318 7.8318 8.1666 8.1666 8.3269 8.3269 8.4008 8.4008 8.4186 8.4186 k = 0.2949 0.5107-0.0000 ( 13133 PWs) bands (ev): 1.0073 1.0073 1.2604 1.2604 1.8348 1.8348 2.7855 2.7855 3.7040 3.7040 3.8690 3.8690 4.4347 4.4347 4.8835 4.8835 5.0881 5.0881 5.2278 5.2278 5.2408 5.2408 5.6857 5.6857 5.8714 5.8714 5.8863 5.8863 6.0612 6.0612 6.1143 6.1143 6.3321 6.3321 6.6211 6.6211 6.6947 6.6947 7.0197 7.0197 7.0604 7.0604 7.1357 7.1357 7.2111 7.2111 7.2190 7.2190 7.2458 7.2458 7.3417 7.3417 7.3920 7.3920 7.5727 7.5727 7.6551 7.6551 7.6739 7.6739 7.8223 7.8223 8.1714 8.1714 8.2996 8.2996 8.4024 8.4024 8.4372 8.4372 k = 0.2821 0.4885-0.0000 ( 13139 PWs) bands (ev): 0.9573 0.9573 1.3054 1.3054 1.8544 1.8544 2.7939 2.7939 3.6745 3.6745 3.8840 3.8840 4.4418 4.4418 4.8292 4.8292 5.0643 5.0643 5.2604 5.2604 5.2973 5.2973 5.6287 5.6287 5.8693 5.8693 5.8899 5.8899 6.1153 6.1153 6.1171 6.1171 6.2900 6.2900 6.6677 6.6677 6.6915 6.6915 6.9811 6.9811 7.0482 7.0482 7.1247 7.1247 7.2150 7.2150 7.2345 7.2345 7.2520 7.2520 7.3438 7.3438 7.3916 7.3916 7.5647 7.5647 7.6706 7.6706 7.6743 7.6743 7.8092 7.8092 8.1775 8.1775 8.2688 8.2688 8.4016 8.4016 8.4583 8.4583 k = 0.2692 0.4663-0.0000 ( 13147 PWs) bands (ev): 0.9062 0.9062 1.3524 1.3524 1.8774 1.8774 2.8050 2.8050 3.6456 3.6456 3.8945 3.8945 4.4518 4.4518 4.7758 4.7758 5.0403 5.0403 5.2915 5.2915 5.3549 5.3549 5.5721 5.5721 5.8652 5.8652 5.8973 5.8973 6.1191 6.1191 6.1648 6.1648 6.2545 6.2545 6.6872 6.6872 6.7105 6.7105 6.9404 6.9404 7.0336 7.0336 7.1118 7.1118 7.2218 7.2218 7.2452 7.2452 7.2590 7.2590 7.3498 7.3498 7.3911 7.3911 7.5580 7.5580 7.6722 7.6722 7.6881 7.6881 7.7930 7.7930 8.1843 8.1843 8.2345 8.2345 8.3999 8.3999 8.4801 8.4801 k = 0.2564 0.4441-0.0000 ( 13163 PWs) bands (ev): 0.8545 0.8545 1.4013 1.4013 1.9029 1.9029 2.8187 2.8187 3.6176 3.6176 3.9008 3.9008 4.4644 4.4644 4.7234 4.7234 5.0164 5.0164 5.3242 5.3242 5.4090 5.4090 5.5161 5.5161 5.8590 5.8590 5.9073 5.9073 6.1214 6.1214 6.1895 6.1895 6.2452 6.2452 6.6844 6.6844 6.7450 6.7450 6.8988 6.8988 7.0168 7.0168 7.0974 7.0974 7.2312 7.2312 7.2519 7.2519 7.2691 7.2691 7.3580 7.3580 7.3919 7.3919 7.5522 7.5522 7.6702 7.6702 7.7040 7.7040 7.7739 7.7739 8.1910 8.1910 8.1972 8.1972 8.3977 8.3977 8.5021 8.5021 k = 0.2436 0.4219-0.0000 ( 13159 PWs) bands (ev): 0.8031 0.8031 1.4520 1.4520 1.9301 1.9301 2.8351 2.8351 3.5906 3.5906 3.9033 3.9033 4.4794 4.4794 4.6720 4.6720 4.9928 4.9928 5.3587 5.3587 5.4577 5.4577 5.4619 5.4619 5.8508 5.8508 5.9171 5.9171 6.1234 6.1234 6.1758 6.1758 6.2785 6.2785 6.6823 6.6823 6.7702 6.7702 6.8576 6.8576 6.9981 6.9981 7.0820 7.0820 7.2423 7.2423 7.2566 7.2566 7.2839 7.2839 7.3652 7.3652 7.3967 7.3967 7.5470 7.5470 7.6669 7.6669 7.7192 7.7192 7.7524 7.7524 8.1557 8.1557 8.1988 8.1988 8.3950 8.3950 8.5239 8.5239 k = 0.2308 0.3997-0.0000 ( 13161 PWs) bands (ev): 0.7525 0.7525 1.5041 1.5041 1.9583 1.9583 2.8543 2.8543 3.5645 3.5645 3.9026 3.9026 4.4964 4.4964 4.6215 4.6215 4.9697 4.9697 5.3928 5.3928 5.4103 5.4103 5.5013 5.5013 5.8405 5.8405 5.9225 5.9225 6.1248 6.1248 6.1635 6.1635 6.3180 6.3180 6.6814 6.6814 6.7815 6.7815 6.8217 6.8217 6.9778 6.9778 7.0657 7.0657 7.2519 7.2519 7.2635 7.2635 7.3031 7.3031 7.3687 7.3687 7.4077 7.4077 7.5423 7.5423 7.6617 7.6617 7.7289 7.7289 7.7339 7.7339 8.1122 8.1122 8.2058 8.2058 8.3919 8.3919 8.5449 8.5449 k = 0.2179 0.3775-0.0000 ( 13145 PWs) bands (ev): 0.7031 0.7031 1.5576 1.5576 1.9871 1.9871 2.8762 2.8762 3.5395 3.5395 3.8993 3.8993 4.5152 4.5152 4.5718 4.5718 4.9473 4.9473 5.3556 5.3556 5.4342 5.4342 5.5370 5.5370 5.8282 5.8282 5.9196 5.9196 6.1254 6.1254 6.1648 6.1648 6.3546 6.3546 6.6821 6.6821 6.7636 6.7636 6.8082 6.8082 6.9564 6.9564 7.0490 7.0490 7.2557 7.2557 7.2771 7.2771 7.3250 7.3250 7.3696 7.3696 7.4243 7.4243 7.5376 7.5376 7.6542 7.6542 7.7041 7.7041 7.7483 7.7483 8.0666 8.0666 8.2123 8.2123 8.3884 8.3884 8.5644 8.5644 k = 0.2051 0.3553-0.0000 ( 13137 PWs) bands (ev): 0.6553 0.6553 1.6122 1.6122 2.0158 2.0158 2.9007 2.9007 3.5157 3.5157 3.8937 3.8937 4.5217 4.5217 4.5367 4.5367 4.9255 4.9255 5.3067 5.3067 5.4737 5.4737 5.5643 5.5643 5.8138 5.8138 5.9074 5.9074 6.1252 6.1252 6.1809 6.1809 6.3871 6.3871 6.6844 6.6844 6.7311 6.7311 6.8058 6.8058 6.9343 6.9343 7.0321 7.0321 7.2571 7.2571 7.2939 7.2939 7.3458 7.3458 7.3701 7.3701 7.4456 7.4456 7.5331 7.5331 7.6438 7.6438 7.6785 7.6785 7.7632 7.7632 8.0197 8.0197 8.2181 8.2181 8.3845 8.3845 8.5796 8.5796 k = 0.1923 0.3331-0.0000 ( 13117 PWs) bands (ev): 0.6093 0.6093 1.6676 1.6676 2.0441 2.0441 2.9278 2.9278 3.4930 3.4930 3.8866 3.8866 4.4739 4.4739 4.5579 4.5579 4.9047 4.9047 5.2602 5.2602 5.5148 5.5148 5.5824 5.5824 5.7975 5.7975 5.8883 5.8883 6.1241 6.1241 6.2082 6.2082 6.4154 6.4154 6.6877 6.6877 6.7018 6.7018 6.8011 6.8011 6.9120 6.9120 7.0154 7.0154 7.2577 7.2577 7.3120 7.3120 7.3585 7.3585 7.3745 7.3745 7.4703 7.4703 7.5288 7.5288 7.6299 7.6299 7.6527 7.6527 7.7798 7.7798 7.9727 7.9727 8.2231 8.2231 8.3797 8.3797 8.5837 8.5837 k = 0.1795 0.3109-0.0000 ( 13121 PWs) bands (ev): 0.5655 0.5655 1.7235 1.7235 2.0716 2.0716 2.9572 2.9572 3.4715 3.4715 3.8783 3.8783 4.4261 4.4261 4.5810 4.5810 4.8848 4.8848 5.2167 5.2167 5.5564 5.5564 5.5914 5.5914 5.7793 5.7793 5.8653 5.8653 6.1221 6.1221 6.2422 6.2422 6.4399 6.4399 6.6751 6.6751 6.6964 6.6964 6.7936 6.7936 6.8901 6.8901 6.9991 6.9991 7.2579 7.2579 7.3302 7.3302 7.3583 7.3583 7.3865 7.3865 7.4955 7.4955 7.5249 7.5249 7.6115 7.6115 7.6276 7.6276 7.7996 7.7996 7.9269 7.9269 8.2273 8.2273 8.3738 8.3738 8.5777 8.5777 k = 0.1667 0.2887-0.0000 ( 13117 PWs) bands (ev): 0.5240 0.5240 1.7797 1.7797 2.0980 2.0980 2.9887 2.9887 3.4513 3.4513 3.8692 3.8692 4.3788 4.3788 4.6052 4.6052 4.8659 4.8659 5.1765 5.1765 5.5819 5.5819 5.6079 5.6079 5.7594 5.7594 5.8400 5.8400 6.1194 6.1194 6.2789 6.2789 6.4615 6.4615 6.6591 6.6591 6.7038 6.7038 6.7846 6.7846 6.8691 6.8691 6.9834 6.9834 7.2581 7.2581 7.3475 7.3475 7.3528 7.3528 7.3984 7.3984 7.5148 7.5148 7.5248 7.5248 7.5880 7.5880 7.6042 7.6042 7.8237 7.8237 7.8841 7.8841 8.2304 8.2304 8.3662 8.3662 8.5724 8.5724 k = 0.1538 0.2665-0.0000 ( 13127 PWs) bands (ev): 0.4850 0.4850 1.8356 1.8356 2.1231 2.1231 3.0218 3.0218 3.4323 3.4323 3.8597 3.8597 4.3320 4.3320 4.6306 4.6306 4.8482 4.8482 5.1397 5.1397 5.5728 5.5728 5.6504 5.6504 5.7381 5.7381 5.8127 5.8127 6.1161 6.1161 6.3155 6.3155 6.4817 6.4817 6.6510 6.6510 6.7131 6.7131 6.7752 6.7752 6.8497 6.8497 6.9684 6.9684 7.2582 7.2582 7.3433 7.3433 7.3625 7.3625 7.4085 7.4085 7.5161 7.5161 7.5371 7.5371 7.5595 7.5595 7.5841 7.5841 7.8385 7.8385 7.8601 7.8601 8.2326 8.2326 8.3567 8.3567 8.5718 8.5718 k = 0.1410 0.2443-0.0000 ( 13135 PWs) bands (ev): 0.4487 0.4487 1.8909 1.8909 2.1466 2.1466 3.0561 3.0561 3.4147 3.4147 3.8502 3.8502 4.2859 4.2859 4.6571 4.6571 4.8318 4.8318 5.1066 5.1066 5.5531 5.5531 5.6956 5.6956 5.7163 5.7163 5.7835 5.7835 6.1122 6.1122 6.3491 6.3491 6.5023 6.5023 6.6511 6.6511 6.7234 6.7234 6.7664 6.7664 6.8322 6.8322 6.9543 6.9543 7.2584 7.2584 7.3301 7.3301 7.3728 7.3728 7.4170 7.4170 7.5143 7.5143 7.5200 7.5200 7.5516 7.5516 7.5696 7.5696 7.8075 7.8075 7.8919 7.8919 8.2339 8.2339 8.3453 8.3453 8.5769 8.5769 k = 0.1282 0.2221-0.0000 ( 13133 PWs) bands (ev): 0.4152 0.4152 1.9452 1.9452 2.1684 2.1684 3.0911 3.0911 3.3985 3.3985 3.8409 3.8409 4.2408 4.2408 4.6846 4.6846 4.8165 4.8165 5.0771 5.0771 5.5263 5.5263 5.6916 5.6916 5.7436 5.7436 5.7527 5.7527 6.1081 6.1081 6.3774 6.3774 6.5252 6.5252 6.6583 6.6583 6.7336 6.7336 6.7597 6.7597 6.8170 6.8170 6.9413 6.9413 7.2587 7.2587 7.3129 7.3129 7.3762 7.3762 7.4243 7.4243 7.4786 7.4786 7.5130 7.5130 7.5560 7.5560 7.5634 7.5634 7.7784 7.7784 7.9308 7.9308 8.2342 8.2342 8.3325 8.3325 8.5870 8.5870 k = 0.1154 0.1999-0.0000 ( 13121 PWs) bands (ev): 0.3846 0.3846 1.9977 1.9977 2.1884 2.1884 3.1260 3.1260 3.3836 3.3836 3.8322 3.8322 4.1969 4.1969 4.7131 4.7131 4.8026 4.8026 5.0514 5.0514 5.4937 5.4937 5.6681 5.6681 5.7207 5.7207 5.7906 5.7906 6.1039 6.1039 6.3986 6.3986 6.5517 6.5517 6.6714 6.6714 6.7392 6.7392 6.7594 6.7594 6.8046 6.8046 6.9295 6.9295 7.2591 7.2591 7.2919 7.2919 7.3719 7.3719 7.4291 7.4291 7.4335 7.4335 7.5122 7.5122 7.5577 7.5577 7.5648 7.5648 7.7539 7.7539 7.9719 7.9719 8.2338 8.2338 8.3188 8.3188 8.6011 8.6011 k = 0.1026 0.1776-0.0000 ( 13119 PWs) bands (ev): 0.3570 0.3570 2.0480 2.0480 2.2064 2.2064 3.1602 3.1602 3.3701 3.3701 3.8243 3.8243 4.1547 4.1547 4.7426 4.7426 4.7901 4.7901 5.0293 5.0293 5.4564 5.4564 5.6443 5.6443 5.6894 5.6894 5.8372 5.8372 6.0997 6.0997 6.4125 6.4125 6.5821 6.5821 6.6884 6.6884 6.7376 6.7376 6.7683 6.7683 6.7951 6.7951 6.9188 6.9188 7.2597 7.2597 7.2675 7.2675 7.3609 7.3609 7.3825 7.3825 7.4358 7.4358 7.5117 7.5117 7.5575 7.5575 7.5726 7.5726 7.7333 7.7333 8.0131 8.0131 8.2327 8.2327 8.3049 8.3049 8.6179 8.6179 k = 0.0897 0.1554-0.0000 ( 13127 PWs) bands (ev): 0.3325 0.3325 2.0951 2.0951 2.2226 2.2226 3.1929 3.1929 3.3581 3.3581 3.8174 3.8174 4.1149 4.1149 4.7727 4.7727 4.7793 4.7793 5.0107 5.0107 5.4156 5.4156 5.6210 5.6210 5.6599 5.6599 5.8828 5.8828 6.0957 6.0957 6.4202 6.4202 6.6148 6.6148 6.7064 6.7064 6.7354 6.7354 6.7807 6.7807 6.7890 6.7890 6.9096 6.9096 7.2400 7.2400 7.2603 7.2603 7.3321 7.3321 7.3460 7.3460 7.4401 7.4401 7.5112 7.5112 7.5549 7.5549 7.5856 7.5856 7.7161 7.7161 8.0529 8.0529 8.2310 8.2310 8.2916 8.2916 8.6360 8.6360 k = 0.0769 0.1332-0.0000 ( 13127 PWs) bands (ev): 0.3111 0.3111 2.1385 2.1385 2.2367 2.2367 3.2231 3.2231 3.3476 3.3476 3.8116 3.8116 4.0780 4.0780 4.7691 4.7691 4.8044 4.8044 4.9953 4.9953 5.3722 5.3722 5.5988 5.5988 5.6333 5.6333 5.9264 5.9264 6.0921 6.0921 6.4235 6.4235 6.6472 6.6472 6.7184 6.7184 6.7407 6.7407 6.7867 6.7867 6.7937 6.7937 6.9018 6.9018 7.2102 7.2102 7.2603 7.2603 7.2835 7.2835 7.3292 7.3292 7.4437 7.4437 7.5103 7.5103 7.5514 7.5514 7.6009 7.6009 7.7017 7.7017 8.0899 8.0899 8.2288 8.2288 8.2793 8.2793 8.6543 8.6543 k = 0.0641 0.1110-0.0000 ( 13135 PWs) bands (ev): 0.2929 0.2929 2.1771 2.1771 2.2489 2.2489 3.2503 3.2503 3.3386 3.3386 3.8070 3.8070 4.0448 4.0448 4.7609 4.7609 4.8360 4.8360 4.9831 4.9831 5.3276 5.3276 5.5783 5.5783 5.6104 5.6104 5.9668 5.9668 6.0891 6.0891 6.4239 6.4239 6.6755 6.6755 6.7199 6.7199 6.7582 6.7582 6.7892 6.7892 6.8064 6.8064 6.8955 6.8955 7.1787 7.1787 7.2345 7.2345 7.2632 7.2632 7.3125 7.3125 7.4466 7.4466 7.5091 7.5091 7.5479 7.5479 7.6163 7.6163 7.6899 7.6899 8.1229 8.1229 8.2260 8.2260 8.2686 8.2686 8.6714 8.6714 k = 0.0513 0.0888-0.0000 ( 13141 PWs) bands (ev): 0.2779 0.2779 2.2100 2.2100 2.2593 2.2593 3.2734 3.2734 3.3312 3.3312 3.8036 3.8036 4.0161 4.0161 4.7541 4.7541 4.8676 4.8676 4.9736 4.9736 5.2833 5.2833 5.5603 5.5603 5.5914 5.5914 6.0027 6.0027 6.0869 6.0869 6.4229 6.4229 6.6956 6.6956 6.7189 6.7189 6.7805 6.7805 6.7958 6.7958 6.8192 6.8192 6.8908 6.8908 7.1463 7.1463 7.1930 7.1930 7.2634 7.2634 7.2971 7.2971 7.4489 7.4489 7.5075 7.5075 7.5449 7.5449 7.6304 7.6304 7.6805 7.6805 8.1513 8.1513 8.2229 8.2229 8.2600 8.2600 8.6865 8.6865 k = 0.0385 0.0666-0.0000 ( 13133 PWs) bands (ev): 0.2663 0.2663 2.2361 2.2361 2.2680 2.2680 3.2920 3.2920 3.3255 3.3255 3.8012 3.8012 3.9928 3.9928 4.7488 4.7488 4.8982 4.8982 4.9670 4.9670 5.2414 5.2414 5.5456 5.5456 5.5764 5.5764 6.0322 6.0322 6.0860 6.0860 6.4212 6.4212 6.7064 6.7064 6.7184 6.7184 6.8025 6.8025 6.8046 6.8046 6.8342 6.8342 6.8877 6.8877 7.1141 7.1141 7.1575 7.1575 7.2639 7.2639 7.2841 7.2841 7.4505 7.4505 7.5057 7.5057 7.5427 7.5427 7.6418 7.6418 7.6738 7.6738 8.1740 8.1740 8.2197 8.2197 8.2536 8.2536 8.6987 8.6987 k = 0.0256 0.0444-0.0000 ( 13145 PWs) bands (ev): 0.2579 0.2579 2.2540 2.2540 2.2756 2.2756 3.3052 3.3052 3.3218 3.3218 3.7997 3.7997 3.9755 3.9755 4.7451 4.7451 4.9252 4.9252 4.9633 4.9633 5.2048 5.2048 5.5347 5.5347 5.5656 5.5656 6.0527 6.0527 6.0874 6.0874 6.4195 6.4195 6.7104 6.7104 6.7192 6.7192 6.8125 6.8125 6.8171 6.8171 6.8544 6.8544 6.8861 6.8861 7.0845 7.0845 7.1303 7.1303 7.2640 7.2640 7.2745 7.2745 7.4517 7.4517 7.5041 7.5041 7.5413 7.5413 7.6493 7.6493 7.6703 7.6703 8.1908 8.1908 8.2168 8.2168 8.2493 8.2493 8.7076 8.7076 k = 0.0128 0.0222-0.0000 ( 13163 PWs) bands (ev): 0.2529 0.2529 2.2634 2.2634 2.2818 2.2818 3.3120 3.3120 3.3207 3.3207 3.7990 3.7990 3.9649 3.9649 4.7428 4.7428 4.9428 4.9428 4.9641 4.9641 5.1780 5.1780 5.5280 5.5280 5.5591 5.5591 6.0629 6.0629 6.0911 6.0911 6.4184 6.4184 6.7113 6.7113 6.7201 6.7201 6.8180 6.8180 6.8238 6.8238 6.8729 6.8729 6.8868 6.8868 7.0615 7.0615 7.1132 7.1132 7.2633 7.2633 7.2693 7.2693 7.4523 7.4523 7.5030 7.5030 7.5404 7.5404 7.6524 7.6524 7.6697 7.6697 8.2011 8.2011 8.2148 8.2148 8.2469 8.2469 8.7129 8.7129 k = 0.0000 0.0000 0.0000 ( 13159 PWs) bands (ev): 0.2512 0.2512 2.2661 2.2661 2.2843 2.2843 3.3134 3.3134 3.3213 3.3213 3.7987 3.7987 3.9613 3.9613 4.7420 4.7420 4.9474 4.9474 4.9670 4.9670 5.1678 5.1678 5.5257 5.5257 5.5569 5.5569 6.0654 6.0654 6.0933 6.0933 6.4180 6.4180 6.7114 6.7114 6.7205 6.7205 6.8199 6.8199 6.8257 6.8257 6.8787 6.8787 6.8894 6.8894 7.0524 7.0524 7.1074 7.1074 7.2625 7.2625 7.2681 7.2681 7.4525 7.4525 7.5026 7.5026 7.5402 7.5402 7.6530 7.6530 7.6701 7.6701 8.2046 8.2046 8.2140 8.2140 8.2461 8.2461 8.7147 8.7147 k = 0.0000 0.0000 0.0000 ( 13159 PWs) bands (ev): 0.2512 0.2512 2.2661 2.2661 2.2843 2.2843 3.3134 3.3134 3.3213 3.3213 3.7987 3.7987 3.9613 3.9613 4.7420 4.7420 4.9474 4.9474 4.9670 4.9670 5.1678 5.1678 5.5257 5.5257 5.5569 5.5569 6.0654 6.0654 6.0933 6.0933 6.4180 6.4180 6.7114 6.7114 6.7205 6.7205 6.8199 6.8199 6.8257 6.8257 6.8787 6.8787 6.8894 6.8894 7.0524 7.0524 7.1074 7.1074 7.2625 7.2625 7.2681 7.2681 7.4525 7.4525 7.5026 7.5026 7.5402 7.5402 7.6530 7.6530 7.6701 7.6701 8.2046 8.2046 8.2140 8.2140 8.2461 8.2461 8.7147 8.7147 k = 0.0000 0.0000 0.0257 ( 13159 PWs) bands (ev): 0.2529 0.2529 2.2670 2.2670 2.2853 2.2853 3.3138 3.3138 3.3217 3.3217 3.7877 3.7877 3.9635 3.9635 4.7526 4.7526 4.9444 4.9444 4.9643 4.9643 5.1696 5.1696 5.5259 5.5259 5.5572 5.5572 6.0688 6.0688 6.0964 6.0964 6.4179 6.4179 6.7120 6.7120 6.7211 6.7211 6.8150 6.8150 6.8223 6.8223 6.8787 6.8787 6.8855 6.8855 7.0667 7.0667 7.1033 7.1033 7.2606 7.2606 7.2661 7.2661 7.4549 7.4549 7.5019 7.5019 7.5390 7.5390 7.6512 7.6512 7.6677 7.6677 8.2069 8.2069 8.2171 8.2171 8.2494 8.2494 8.7153 8.7153 k = 0.0000 0.0000 0.0515 ( 13159 PWs) bands (ev): 0.2581 0.2581 2.2700 2.2700 2.2883 2.2883 3.3151 3.3151 3.3229 3.3229 3.7560 3.7560 3.9703 3.9703 4.7830 4.7830 4.9358 4.9358 4.9563 4.9563 5.1750 5.1750 5.5266 5.5266 5.5581 5.5581 6.0787 6.0787 6.1058 6.1058 6.4178 6.4178 6.7135 6.7135 6.7231 6.7231 6.7850 6.7850 6.8295 6.8295 6.8785 6.8785 6.8800 6.8800 7.0911 7.0911 7.1013 7.1013 7.2549 7.2549 7.2604 7.2604 7.4621 7.4621 7.4996 7.4996 7.5353 7.5353 7.6461 7.6461 7.6607 7.6607 8.2138 8.2138 8.2264 8.2264 8.2592 8.2592 8.7171 8.7171 k = 0.0000 0.0000 0.0772 ( 13164 PWs) bands (ev): 0.2667 0.2667 2.2749 2.2749 2.2932 2.2932 3.3170 3.3170 3.3248 3.3248 3.7070 3.7070 3.9817 3.9817 4.8298 4.8298 4.9219 4.9219 4.9435 4.9435 5.1838 5.1838 5.5275 5.5275 5.5594 5.5594 6.0949 6.0949 6.1209 6.1209 6.4177 6.4177 6.7143 6.7143 6.7263 6.7263 6.7450 6.7450 6.8414 6.8414 6.8768 6.8768 6.8782 6.8782 7.0710 7.0710 7.1447 7.1447 7.2457 7.2457 7.2510 7.2510 7.4741 7.4741 7.4958 7.4958 7.5291 7.5291 7.6383 7.6383 7.6497 7.6497 8.2250 8.2250 8.2413 8.2413 8.2749 8.2749 8.7201 8.7201 k = 0.0000 0.0000 0.1030 ( 13182 PWs) bands (ev): 0.2787 0.2787 2.2817 2.2817 2.3001 2.3001 3.3197 3.3197 3.3273 3.3273 3.6447 3.6447 3.9974 3.9974 4.8891 4.8891 4.9034 4.9034 4.9263 4.9263 5.1961 5.1961 5.5287 5.5287 5.5611 5.5611 6.1168 6.1168 6.1415 6.1415 6.4176 6.4176 6.6897 6.6897 6.7262 6.7262 6.7306 6.7306 6.8581 6.8581 6.8749 6.8749 6.8778 6.8778 7.0437 7.0437 7.1910 7.1910 7.2332 7.2332 7.2383 7.2383 7.4902 7.4902 7.4909 7.4909 7.5200 7.5200 7.6286 7.6286 7.6355 7.6355 8.2403 8.2403 8.2610 8.2610 8.2955 8.2955 8.7242 8.7242 k = 0.0000 0.0000 0.1287 ( 13158 PWs) bands (ev): 0.2941 0.2941 2.2905 2.2905 2.3089 2.3089 3.3228 3.3228 3.3303 3.3303 3.5727 3.5727 4.0177 4.0177 4.8811 4.8811 4.9056 4.9056 4.9573 4.9573 5.2116 5.2116 5.5299 5.5299 5.5629 5.5629 6.1437 6.1437 6.1669 6.1669 6.4176 6.4176 6.6418 6.6418 6.7298 6.7298 6.7362 6.7362 6.8735 6.8735 6.8773 6.8773 6.8795 6.8795 7.0095 7.0095 7.2175 7.2175 7.2226 7.2226 7.2377 7.2377 7.4828 7.4828 7.5080 7.5080 7.5124 7.5124 7.6179 7.6179 7.6192 7.6192 8.2592 8.2592 8.2847 8.2847 8.3201 8.3201 8.7294 8.7294 k = 0.0000 0.0000 0.1545 ( 13134 PWs) bands (ev): 0.3128 0.3128 2.3012 2.3012 2.3196 2.3196 3.3263 3.3263 3.3336 3.3336 3.4935 3.4935 4.0422 4.0422 4.8560 4.8560 4.8823 4.8823 5.0318 5.0318 5.2302 5.2302 5.5308 5.5308 5.5646 5.5646 6.1750 6.1750 6.1965 6.1965 6.4177 6.4177 6.5919 6.5919 6.7361 6.7361 6.7427 6.7427 6.8724 6.8724 6.8767 6.8767 6.9053 6.9053 6.9692 6.9692 7.1996 7.1996 7.2044 7.2044 7.2828 7.2828 7.4732 7.4732 7.4931 7.4931 7.5387 7.5387 7.6016 7.6016 7.6067 7.6067 8.2814 8.2814 8.3114 8.3114 8.3479 8.3479 8.7356 8.7356 k = 0.0000 0.0000 0.1802 ( 13152 PWs) bands (ev): 0.3350 0.3350 2.3139 2.3139 2.3322 2.3322 3.3298 3.3298 3.3370 3.3370 3.4092 3.4092 4.0710 4.0710 4.8290 4.8290 4.8570 4.8570 5.1106 5.1106 5.2517 5.2517 5.5313 5.5313 5.5659 5.5659 6.2099 6.2099 6.2297 6.2297 6.4181 6.4181 6.5421 6.5421 6.7435 6.7435 6.7502 6.7502 6.8714 6.8714 6.8761 6.8761 6.9209 6.9209 6.9380 6.9380 7.1797 7.1797 7.1845 7.1845 7.3257 7.3257 7.4614 7.4614 7.4756 7.4756 7.5696 7.5696 7.5835 7.5835 7.5955 7.5955 8.3065 8.3065 8.3405 8.3405 8.3780 8.3780 8.7425 8.7426 k = 0.0000 0.0000 0.2060 ( 13164 PWs) bands (ev): 0.3604 0.3604 2.3284 2.3284 2.3468 2.3468 3.3212 3.3212 3.3331 3.3331 3.3401 3.3401 4.1038 4.1038 4.8010 4.8010 4.8309 4.8309 5.1923 5.1923 5.2759 5.2759 5.5309 5.5309 5.5665 5.5665 6.2479 6.2479 6.2659 6.2659 6.4188 6.4188 6.4931 6.4931 6.7518 6.7518 6.7584 6.7584 6.8706 6.8706 6.8712 6.8712 6.8754 6.8754 6.9714 6.9714 7.1587 7.1587 7.1636 7.1636 7.3654 7.3654 7.4471 7.4471 7.4559 7.4559 7.5656 7.5656 7.5841 7.5841 7.6052 7.6052 8.3339 8.3339 8.3711 8.3711 8.4094 8.4094 8.7502 8.7517 k = 0.0000 0.0000 0.2317 ( 13164 PWs) bands (ev): 0.3892 0.3892 2.3448 2.3448 2.3632 2.3632 3.2305 3.2305 3.3358 3.3358 3.3427 3.3427 4.1407 4.1407 4.7729 4.7729 4.8046 4.8046 5.2759 5.2759 5.3025 5.3025 5.5294 5.5294 5.5659 5.5659 6.2883 6.2883 6.3046 6.3046 6.4200 6.4200 6.4454 6.4454 6.7606 6.7606 6.7671 6.7671 6.8157 6.8157 6.8699 6.8699 6.8745 6.8745 7.0102 7.0102 7.1375 7.1375 7.1426 7.1426 7.4015 7.4015 7.4305 7.4305 7.4345 7.4345 7.5481 7.5481 7.5726 7.5726 7.6452 7.6452 8.3635 8.3635 8.4026 8.4026 8.4416 8.4416 8.7552 8.7552 k = 0.0000 0.0000 0.2574 ( 13182 PWs) bands (ev): 0.4212 0.4212 2.3630 2.3630 2.3814 2.3814 3.1378 3.1378 3.3376 3.3376 3.3444 3.3444 4.1814 4.1814 4.7457 4.7457 4.7792 4.7792 5.3312 5.3312 5.3605 5.3605 5.5262 5.5262 5.5637 5.5637 6.3306 6.3306 6.3452 6.3452 6.3992 6.3992 6.4219 6.4219 6.7561 6.7561 6.7697 6.7697 6.7762 6.7762 6.8696 6.8696 6.8737 6.8737 7.0530 7.0530 7.1168 7.1168 7.1225 7.1225 7.4118 7.4118 7.4119 7.4119 7.4333 7.4333 7.5312 7.5312 7.5605 7.5605 7.6897 7.6897 8.3949 8.3949 8.4343 8.4343 8.4736 8.4736 8.7486 8.7487 k = 0.0000 0.0000 0.2832 ( 13176 PWs) bands (ev): 0.4564 0.4564 2.3830 2.3830 2.4015 2.4015 3.0438 3.0438 3.3381 3.3381 3.3448 3.3448 4.2259 4.2259 4.7203 4.7203 4.7554 4.7554 5.3617 5.3617 5.4454 5.4454 5.5213 5.5213 5.5593 5.5593 6.3547 6.3547 6.3743 6.3743 6.3874 6.3874 6.4245 6.4245 6.6930 6.6930 6.7786 6.7786 6.7853 6.7853 6.8696 6.8696 6.8728 6.8728 7.0977 7.0977 7.0992 7.0992 7.1042 7.1042 7.3886 7.3886 7.3913 7.3913 7.4604 7.4604 7.5146 7.5146 7.5478 7.5478 7.7385 7.7385 8.4277 8.4277 8.4657 8.4657 8.5043 8.5043 8.6850 8.6850 k = 0.0000 0.0000 0.3089 ( 13176 PWs) bands (ev): 0.4947 0.4947 2.4048 2.4048 2.4233 2.4233 2.9489 2.9489 3.3368 3.3368 3.3435 3.3435 4.2738 4.2738 4.6973 4.6973 4.7339 4.7339 5.3937 5.3937 5.5092 5.5092 5.5349 5.5349 5.5523 5.5523 6.3120 6.3120 6.4189 6.4189 6.4282 6.4282 6.4307 6.4307 6.6268 6.6268 6.7872 6.7872 6.7941 6.7941 6.8703 6.8703 6.8722 6.8722 7.0810 7.0810 7.0887 7.0887 7.1484 7.1484 7.3648 7.3648 7.3696 7.3696 7.4825 7.4825 7.4982 7.4982 7.5341 7.5341 7.7914 7.7914 8.4617 8.4617 8.4962 8.4962 8.5307 8.5307 8.6265 8.6265 k = 0.0000 0.0000 0.3347 ( 13152 PWs) bands (ev): 0.5362 0.5362 2.4284 2.4284 2.4469 2.4469 2.8533 2.8533 3.3333 3.3333 3.3400 3.3400 4.3252 4.3252 4.6777 4.6777 4.7156 4.7156 5.4267 5.4267 5.5006 5.5006 5.5422 5.5422 5.6178 5.6178 6.2712 6.2712 6.4329 6.4329 6.4642 6.4642 6.4747 6.4747 6.5580 6.5580 6.7949 6.7949 6.8023 6.8023 6.8719 6.8719 6.8721 6.8721 7.0676 7.0676 7.0767 7.0767 7.1997 7.1997 7.3408 7.3408 7.3469 7.3469 7.4816 7.4816 7.4993 7.4993 7.5195 7.5195 7.8482 7.8482 8.4965 8.4965 8.5253 8.5253 8.5331 8.5331 8.5929 8.5929 k = 0.0000 0.0000 0.3604 ( 13134 PWs) bands (ev): 0.5808 0.5808 2.4536 2.4536 2.4721 2.4721 2.7575 2.7575 3.3273 3.3273 3.3341 3.3341 4.3797 4.3797 4.6620 4.6620 4.7011 4.7011 5.4604 5.4604 5.4863 5.4863 5.5285 5.5285 5.7022 5.7022 6.2324 6.2324 6.4389 6.4389 6.4862 6.4862 6.5101 6.5101 6.5189 6.5189 6.8016 6.8016 6.8095 6.8095 6.8731 6.8731 6.8747 6.8747 7.0580 7.0580 7.0687 7.0687 7.2523 7.2523 7.3168 7.3168 7.3238 7.3238 7.4648 7.4648 7.5037 7.5037 7.5109 7.5109 7.9087 7.9087 8.4898 8.4898 8.5319 8.5319 8.5524 8.5524 8.6061 8.6061 k = 0.0000 0.0000 0.3862 ( 13128 PWs) bands (ev): 0.6283 0.6283 2.4805 2.4805 2.4990 2.4990 2.6617 2.6617 3.3183 3.3183 3.3253 3.3253 4.4372 4.4372 4.6508 4.6508 4.6910 4.6910 5.4681 5.4681 5.4943 5.4943 5.5109 5.5109 5.7858 5.7858 6.1956 6.1956 6.4127 6.4127 6.4471 6.4471 6.5549 6.5549 6.5631 6.5631 6.8074 6.8074 6.8159 6.8159 6.8757 6.8757 6.8787 6.8787 7.0524 7.0524 7.0647 7.0647 7.2931 7.2931 7.2998 7.2998 7.3054 7.3054 7.4477 7.4477 7.4867 7.4867 7.5172 7.5172 7.9726 7.9726 8.4391 8.4391 8.5673 8.5673 8.5772 8.5772 8.6286 8.6286 k = 0.0000 0.0000 0.4119 ( 13140 PWs) bands (ev): 0.6788 0.6788 2.5090 2.5090 2.5275 2.5275 2.5660 2.5660 3.3060 3.3060 3.3134 3.3134 4.4975 4.4975 4.6447 4.6447 4.6857 4.6857 5.4458 5.4458 5.4891 5.4891 5.5282 5.5282 5.8681 5.8681 6.1609 6.1609 6.3378 6.3378 6.4561 6.4561 6.5993 6.5993 6.6068 6.6068 6.8129 6.8129 6.8216 6.8216 6.8801 6.8801 6.8840 6.8840 7.0508 7.0508 7.0645 7.0645 7.2697 7.2697 7.2771 7.2771 7.3543 7.3543 7.4314 7.4314 7.4685 7.4685 7.5184 7.5184 8.0394 8.0394 8.3919 8.3919 8.5992 8.5992 8.6019 8.6019 8.6508 8.6508 k = 0.0000 0.0000 0.4377 ( 13140 PWs) bands (ev): 0.7322 0.7322 2.4705 2.4705 2.5391 2.5391 2.5574 2.5574 3.2904 3.2904 3.2983 3.2983 4.5605 4.5605 4.6439 4.6439 4.6855 4.6855 5.4194 5.4194 5.4631 5.4631 5.5617 5.5617 5.9483 5.9483 6.1287 6.1287 6.2612 6.2612 6.4670 6.4670 6.6427 6.6427 6.6495 6.6495 6.8187 6.8187 6.8275 6.8275 6.8862 6.8862 6.8904 6.8904 7.0528 7.0528 7.0677 7.0677 7.2467 7.2467 7.2539 7.2539 7.3887 7.3887 7.4259 7.4259 7.4490 7.4490 7.5149 7.5149 8.1087 8.1087 8.3514 8.3514 8.6182 8.6182 8.6345 8.6345 8.6720 8.6720 k = 0.0000 0.0000 0.4634 ( 13176 PWs) bands (ev): 0.7883 0.7883 2.3758 2.3758 2.5706 2.5706 2.5888 2.5888 3.2714 3.2714 3.2798 3.2798 4.6258 4.6258 4.6485 4.6485 4.6907 4.6907 5.3890 5.3890 5.4329 5.4329 5.5943 5.5943 6.0236 6.0236 6.1012 6.1012 6.1834 6.1834 6.4795 6.4795 6.6846 6.6846 6.6909 6.6909 6.8256 6.8256 6.8344 6.8344 6.8937 6.8937 6.8975 6.8975 7.0579 7.0579 7.0736 7.0736 7.2243 7.2243 7.2311 7.2311 7.3817 7.3817 7.4283 7.4283 7.4549 7.4549 7.5070 7.5070 8.1799 8.1799 8.3200 8.3200 8.6341 8.6341 8.6620 8.6620 8.6942 8.6942 k = 0.0000 0.0000 0.4891 ( 13182 PWs) bands (ev): 0.8473 0.8473 2.2817 2.2817 2.6034 2.6034 2.6215 2.6215 3.2489 3.2489 3.2580 3.2580 4.6587 4.6587 4.6934 4.6934 4.7012 4.7012 5.3548 5.3548 5.3986 5.3986 5.6258 5.6258 6.0558 6.0558 6.1045 6.1045 6.1163 6.1163 6.4936 6.4936 6.7245 6.7245 6.7304 6.7304 6.8340 6.8340 6.8429 6.8429 6.9024 6.9024 6.9054 6.9054 7.0654 7.0654 7.0816 7.0816 7.2024 7.2024 7.2087 7.2087 7.3627 7.3627 7.4065 7.4065 7.4864 7.4864 7.4956 7.4956 8.2523 8.2523 8.3003 8.3003 8.6469 8.6469 8.6813 8.6813 8.7200 8.7200 k = 0.0000 0.0000 0.5149 ( 13182 PWs) bands (ev): 0.9089 0.9089 2.1885 2.1885 2.6375 2.6375 2.6555 2.6555 3.2233 3.2233 3.2331 3.2331 4.6743 4.6743 4.7170 4.7170 4.7630 4.7630 5.3172 5.3172 5.3608 5.3608 5.6560 5.6560 6.0248 6.0248 6.0337 6.0337 6.1844 6.1844 6.5089 6.5089 6.7620 6.7620 6.7677 6.7677 6.8442 6.8442 6.8531 6.8531 6.9121 6.9121 6.9139 6.9139 7.0747 7.0747 7.0912 7.0912 7.1811 7.1811 7.1867 7.1867 7.3416 7.3416 7.3836 7.3836 7.4812 7.4812 7.5080 7.5080 8.2946 8.2946 8.3251 8.3251 8.6568 8.6568 8.6938 8.6938 8.7476 8.7477 k = 0.0000 0.0000 0.5406 ( 13176 PWs) bands (ev): 0.9731 0.9731 2.0962 2.0962 2.6729 2.6729 2.6907 2.6907 3.1947 3.1947 3.2052 3.2052 4.6950 4.6950 4.7379 4.7379 4.8344 4.8344 5.2766 5.2766 5.3199 5.3199 5.6846 5.6846 5.9446 5.9446 6.0084 6.0084 6.2537 6.2537 6.5251 6.5251 6.7965 6.7965 6.8021 6.8021 6.8560 6.8560 6.8649 6.8649 6.9229 6.9229 6.9232 6.9232 7.0852 7.0852 7.1018 7.1018 7.1605 7.1605 7.1653 7.1653 7.3195 7.3195 7.3599 7.3599 7.4650 7.4650 7.5174 7.5174 8.3039 8.3039 8.3974 8.3974 8.6643 8.6643 8.7022 8.7022 8.7545 8.7545 k = 0.0000 0.0000 0.5664 ( 13122 PWs) bands (ev): 1.0398 1.0398 2.0051 2.0051 2.7092 2.7092 2.7269 2.7269 3.1635 3.1635 3.1748 3.1748 4.7206 4.7206 4.7635 4.7635 4.9073 4.9073 5.2337 5.2337 5.2763 5.2763 5.7114 5.7114 5.8643 5.8643 5.9838 5.9838 6.3195 6.3195 6.5413 6.5413 6.8277 6.8277 6.8332 6.8332 6.8691 6.8691 6.8777 6.8777 6.9335 6.9335 6.9350 6.9350 7.0965 7.0965 7.1130 7.1130 7.1408 7.1408 7.1443 7.1443 7.2970 7.2970 7.3356 7.3356 7.4481 7.4481 7.5150 7.5150 8.3274 8.3274 8.4679 8.4679 8.6699 8.6699 8.7083 8.7083 8.7467 8.7467 k = 0.0000 0.0000 0.5921 ( 13128 PWs) bands (ev): 1.1090 1.1090 1.9152 1.9152 2.7466 2.7466 2.7639 2.7639 3.1301 3.1301 3.1421 3.1421 4.7505 4.7505 4.7935 4.7935 4.9812 4.9812 5.1892 5.1892 5.2307 5.2307 5.7340 5.7340 5.7863 5.7863 5.9602 5.9602 6.3804 6.3804 6.5568 6.5568 6.8549 6.8549 6.8604 6.8604 6.8826 6.8826 6.8908 6.8908 6.9449 6.9449 6.9484 6.9484 7.1082 7.1082 7.1193 7.1193 7.1239 7.1239 7.1272 7.1272 7.2744 7.2744 7.3110 7.3110 7.4318 7.4318 7.5027 7.5027 8.3627 8.3627 8.5354 8.5354 8.6742 8.6742 8.7129 8.7129 8.7382 8.7382 k = 0.0000 0.0000 0.6179 ( 13140 PWs) bands (ev): 1.1805 1.1805 1.8267 1.8267 2.7847 2.7847 2.8018 2.8018 3.0948 3.0948 3.1076 3.1076 4.7845 4.7845 4.8275 4.8275 5.0541 5.0541 5.1458 5.1458 5.1838 5.1838 5.6967 5.6967 5.7668 5.7668 5.9375 5.9375 6.4352 6.4352 6.5701 6.5701 6.8778 6.8778 6.8833 6.8833 6.8955 6.8955 6.9030 6.9030 6.9580 6.9580 6.9633 6.9633 7.1022 7.1022 7.1039 7.1039 7.1203 7.1203 7.1382 7.1382 7.2522 7.2522 7.2864 7.2864 7.4175 7.4175 7.4840 7.4840 8.4066 8.4066 8.5984 8.5984 8.6779 8.6779 8.7170 8.7170 8.7293 8.7293 k = 0.0000 0.0000 0.6436 ( 13152 PWs) bands (ev): 1.2543 1.2543 1.7396 1.7396 2.8235 2.8235 2.8402 2.8402 3.0579 3.0579 3.0714 3.0714 4.8219 4.8219 4.8650 4.8650 5.0836 5.0836 5.1360 5.1360 5.1462 5.1462 5.6174 5.6174 5.7881 5.7881 5.9156 5.9156 6.4826 6.4826 6.5799 6.5799 6.8959 6.8959 6.9016 6.9016 6.9066 6.9066 6.9136 6.9136 6.9728 6.9728 6.9796 6.9796 7.0842 7.0842 7.0843 7.0843 7.1327 7.1327 7.1513 7.1513 7.2307 7.2307 7.2625 7.2625 7.4067 7.4067 7.4622 7.4622 8.4556 8.4556 8.6550 8.6550 8.6816 8.6816 8.7203 8.7203 8.7204 8.7211 k = 0.0000 0.0000 0.6694 ( 13164 PWs) bands (ev): 1.3303 1.3303 1.6541 1.6541 2.8628 2.8628 2.8791 2.8791 3.0199 3.0199 3.0341 3.0341 4.8623 4.8623 4.9056 4.9056 5.0421 5.0421 5.0880 5.0880 5.2183 5.2183 5.5367 5.5367 5.8100 5.8100 5.8943 5.8943 6.5217 6.5217 6.5846 6.5846 6.9092 6.9092 6.9149 6.9149 6.9151 6.9151 6.9215 6.9215 6.9894 6.9894 6.9968 6.9968 7.0648 7.0648 7.0668 7.0668 7.1457 7.1457 7.1654 7.1654 7.2104 7.2104 7.2395 7.2395 7.4010 7.4010 7.4407 7.4407 8.5067 8.5067 8.6858 8.6858 8.6878 8.6878 8.7034 8.7034 8.7117 8.7117 k = 0.0000 0.0000 0.6951 ( 13164 PWs) bands (ev): 1.4083 1.4083 1.5704 1.5704 2.9023 2.9023 2.9181 2.9181 2.9811 2.9811 2.9959 2.9959 4.9052 4.9052 4.9487 4.9487 4.9959 4.9959 5.0405 5.0405 5.2964 5.2964 5.4560 5.4560 5.8314 5.8314 5.8733 5.8733 6.5515 6.5515 6.5823 6.5823 6.9175 6.9175 6.9200 6.9200 6.9234 6.9234 6.9262 6.9262 7.0074 7.0074 7.0144 7.0144 7.0454 7.0454 7.0494 7.0494 7.1596 7.1596 7.1811 7.1811 7.1918 7.1918 7.2181 7.2181 7.4015 7.4015 7.4221 7.4221 8.5574 8.5574 8.6498 8.6498 8.6908 8.6908 8.7038 8.7038 8.7316 8.7325 k = 0.0000 0.0000 0.7208 ( 13164 PWs) bands (ev): 1.4884 1.4884 1.4884 1.4884 2.9418 2.9418 2.9418 2.9418 2.9572 2.9572 2.9572 2.9572 4.9499 4.9499 4.9499 4.9499 4.9938 4.9938 4.9938 4.9938 5.3758 5.3758 5.3758 5.3758 5.8524 5.8524 5.8524 5.8524 6.5716 6.5716 6.5716 6.5716 6.9210 6.9210 6.9210 6.9210 6.9270 6.9270 6.9270 6.9270 7.0262 7.0262 7.0262 7.0262 7.0319 7.0319 7.0319 7.0319 7.1749 7.1749 7.1749 7.1749 7.1986 7.1986 7.1986 7.1986 7.4086 7.4086 7.4086 7.4086 8.6056 8.6056 8.6056 8.6056 8.6967 8.6967 8.6967 8.6967 8.7359 8.7359 k = 0.0000 0.0000 0.7208 ( 13164 PWs) bands (ev): 1.4884 1.4884 1.4884 1.4884 2.9418 2.9418 2.9418 2.9418 2.9572 2.9572 2.9572 2.9572 4.9499 4.9499 4.9499 4.9499 4.9938 4.9938 4.9938 4.9938 5.3758 5.3758 5.3758 5.3758 5.8524 5.8524 5.8524 5.8524 6.5716 6.5716 6.5716 6.5716 6.9210 6.9210 6.9210 6.9210 6.9270 6.9270 6.9270 6.9270 7.0262 7.0262 7.0262 7.0262 7.0319 7.0319 7.0319 7.0319 7.1749 7.1749 7.1749 7.1749 7.1986 7.1986 7.1986 7.1986 7.4086 7.4086 7.4086 7.4086 8.6056 8.6056 8.6056 8.6056 8.6967 8.6967 8.6967 8.6967 8.7359 8.7359 k = 0.0217 0.0126 0.7208 ( 13162 PWs) bands (ev): 1.4897 1.4897 1.4897 1.4897 2.9403 2.9403 2.9404 2.9404 2.9557 2.9557 2.9557 2.9557 4.9474 4.9474 4.9476 4.9476 4.9907 4.9907 4.9909 4.9909 5.3819 5.3819 5.3819 5.3819 5.8538 5.8538 5.8538 5.8538 6.5735 6.5735 6.5735 6.5735 6.9192 6.9192 6.9195 6.9195 6.9247 6.9247 6.9251 6.9251 7.0234 7.0234 7.0243 7.0243 7.0308 7.0308 7.0318 7.0318 7.1786 7.1786 7.1791 7.1791 7.2022 7.2022 7.2026 7.2026 7.4101 7.4101 7.4101 7.4101 8.6049 8.6049 8.6049 8.6049 8.6968 8.6968 8.6969 8.6969 8.7360 8.7361 k = 0.0435 0.0251 0.7208 ( 13182 PWs) bands (ev): 1.4938 1.4938 1.4938 1.4938 2.9356 2.9356 2.9361 2.9361 2.9513 2.9513 2.9517 2.9517 4.9398 4.9398 4.9412 4.9412 4.9814 4.9814 4.9829 4.9829 5.3995 5.3995 5.3997 5.3997 5.8577 5.8577 5.8578 5.8578 6.5790 6.5790 6.5791 6.5791 6.9131 6.9131 6.9154 6.9154 6.9176 6.9176 6.9199 6.9199 7.0163 7.0163 7.0203 7.0203 7.0271 7.0271 7.0315 7.0315 7.1884 7.1884 7.1918 7.1918 7.2117 7.2117 7.2146 7.2146 7.4144 7.4144 7.4144 7.4144 8.6025 8.6025 8.6027 8.6027 8.6964 8.6964 8.6975 8.6975 8.7364 8.7365 k = 0.0652 0.0377 0.7208 ( 13184 PWs) bands (ev): 1.5004 1.5004 1.5004 1.5004 2.9273 2.9273 2.9285 2.9285 2.9444 2.9444 2.9456 2.9456 4.9275 4.9275 4.9318 4.9318 4.9668 4.9668 4.9715 4.9715 5.4270 5.4270 5.4275 5.4275 5.8637 5.8637 5.8639 5.8639 6.5880 6.5880 6.5882 6.5882 6.9022 6.9022 6.9037 6.9037 6.9111 6.9111 6.9125 6.9125 7.0085 7.0085 7.0154 7.0154 7.0232 7.0232 7.0311 7.0311 7.2022 7.2022 7.2112 7.2112 7.2251 7.2251 7.2329 7.2329 7.4215 7.4215 7.4216 7.4216 8.5989 8.5989 8.5994 8.5994 8.6947 8.6947 8.6979 8.6979 8.7370 8.7376 k = 0.0870 0.0502 0.7208 ( 13192 PWs) bands (ev): 1.5098 1.5098 1.5098 1.5098 2.9149 2.9149 2.9171 2.9171 2.9358 2.9358 2.9381 2.9381 4.9111 4.9111 4.9203 4.9203 4.9486 4.9486 4.9583 4.9583 5.4623 5.4623 5.4633 5.4633 5.8711 5.8711 5.8716 5.8716 6.5998 6.5998 6.6004 6.6004 6.8853 6.8853 6.8862 6.8862 6.9041 6.9041 6.9059 6.9059 7.0016 7.0016 7.0093 7.0093 7.0216 7.0216 7.0313 7.0313 7.2183 7.2183 7.2340 7.2340 7.2421 7.2421 7.2559 7.2559 7.4314 7.4314 7.4315 7.4315 8.5941 8.5941 8.5953 8.5953 8.6913 8.6913 8.6974 8.6974 8.7386 8.7386 k = 0.1087 0.0628 0.7208 ( 13178 PWs) bands (ev): 1.5217 1.5217 1.5217 1.5217 2.8983 2.8983 2.9014 2.9014 2.9262 2.9262 2.9294 2.9294 4.8913 4.8913 4.9058 4.9058 4.9300 4.9300 4.9450 4.9450 5.5037 5.5037 5.5053 5.5053 5.8791 5.8791 5.8801 5.8801 6.6136 6.6136 6.6148 6.6148 6.8627 6.8627 6.8657 6.8657 6.8963 6.8963 6.9019 6.9019 6.9965 6.9965 7.0031 7.0031 7.0226 7.0226 7.0327 7.0327 7.2357 7.2357 7.2532 7.2532 7.2670 7.2670 7.2820 7.2820 7.4439 7.4439 7.4443 7.4443 8.5885 8.5885 8.5906 8.5906 8.6860 8.6860 8.6951 8.6951 8.7416 8.7416 k = 0.1304 0.0753 0.7208 ( 13194 PWs) bands (ev): 1.5363 1.5363 1.5363 1.5363 2.8778 2.8778 2.8813 2.8813 2.9159 2.9159 2.9197 2.9197 4.8686 4.8686 4.8852 4.8852 4.9158 4.9158 4.9330 4.9330 5.5496 5.5496 5.5518 5.5518 5.8872 5.8872 5.8888 5.8888 6.6284 6.6284 6.6305 6.6305 6.8372 6.8372 6.8418 6.8418 6.8906 6.8906 6.9003 6.9003 6.9928 6.9928 6.9974 6.9974 7.0255 7.0255 7.0354 7.0354 7.2535 7.2535 7.2698 7.2698 7.2969 7.2969 7.3102 7.3102 7.4591 7.4591 7.4598 7.4598 8.5824 8.5824 8.5853 8.5853 8.6790 8.6790 8.6908 8.6908 8.7461 8.7468 k = 0.1522 0.0879 0.7208 ( 13198 PWs) bands (ev): 1.5534 1.5534 1.5534 1.5534 2.8534 2.8534 2.8571 2.8571 2.9050 2.9050 2.9092 2.9092 4.8435 4.8435 4.8594 4.8594 4.9071 4.9071 4.9234 4.9234 5.5988 5.5988 5.6016 5.6016 5.8947 5.8947 5.8970 5.8970 6.6427 6.6427 6.6459 6.6459 6.8100 6.8100 6.8158 6.8158 6.8881 6.8881 6.9022 6.9022 6.9903 6.9903 6.9924 6.9924 7.0300 7.0300 7.0394 7.0394 7.2714 7.2714 7.2860 7.2860 7.3285 7.3285 7.3394 7.3394 7.4768 7.4768 7.4782 7.4782 8.5757 8.5757 8.5797 8.5797 8.6705 8.6705 8.6845 8.6845 8.7520 8.7521 k = 0.1739 0.1004 0.7208 ( 13210 PWs) bands (ev): 1.5730 1.5730 1.5730 1.5730 2.8254 2.8254 2.8291 2.8291 2.8937 2.8937 2.8980 2.8980 4.8167 4.8167 4.8310 4.8310 4.9021 4.9021 4.9166 4.9166 5.6500 5.6500 5.6535 5.6535 5.9012 5.9012 5.9043 5.9043 6.6550 6.6550 6.6593 6.6593 6.7822 6.7822 6.7890 6.7890 6.8896 6.8896 6.9082 6.9082 6.9885 6.9885 6.9892 6.9892 7.0358 7.0358 7.0446 7.0446 7.2894 7.2894 7.3019 7.3019 7.3605 7.3605 7.3686 7.3686 7.4974 7.4974 7.4998 7.4998 8.5684 8.5684 8.5734 8.5734 8.6609 8.6609 8.6765 8.6765 8.7591 8.7592 k = 0.1957 0.1130 0.7208 ( 13202 PWs) bands (ev): 1.5950 1.5950 1.5950 1.5950 2.7940 2.7940 2.7976 2.7976 2.8821 2.8821 2.8863 2.8863 4.7890 4.7890 4.8015 4.8015 4.9002 4.9002 4.9126 4.9126 5.7022 5.7022 5.7065 5.7065 5.9066 5.9066 5.9108 5.9108 6.6635 6.6635 6.6686 6.6686 6.7554 6.7554 6.7631 6.7631 6.8953 6.8953 6.9178 6.9178 6.9864 6.9864 6.9898 6.9898 7.0428 7.0428 7.0509 7.0509 7.3073 7.3073 7.3178 7.3178 7.3916 7.3916 7.3966 7.3966 7.5212 7.5212 7.5250 7.5250 8.5603 8.5603 8.5662 8.5662 8.6505 8.6505 8.6672 8.6672 8.7673 8.7674 k = 0.2174 0.1255 0.7208 ( 13190 PWs) bands (ev): 1.6195 1.6195 1.6195 1.6195 2.7594 2.7594 2.7629 2.7629 2.8703 2.8703 2.8745 2.8745 4.7611 4.7611 4.7720 4.7720 4.9010 4.9010 4.9115 4.9115 5.7540 5.7540 5.7595 5.7595 5.9112 5.9112 5.9167 5.9167 6.6657 6.6657 6.6712 6.6712 6.7323 6.7323 6.7406 6.7406 6.9038 6.9038 6.9286 6.9286 6.9881 6.9881 6.9931 6.9931 7.0509 7.0509 7.0582 7.0582 7.3255 7.3255 7.3339 7.3339 7.4207 7.4207 7.4227 7.4227 7.5487 7.5487 7.5541 7.5541 8.5511 8.5511 8.5573 8.5573 8.6401 8.6401 8.6571 8.6571 8.7766 8.7766 k = 0.2391 0.1381 0.7208 ( 13176 PWs) bands (ev): 1.6462 1.6462 1.6462 1.6462 2.7221 2.7221 2.7253 2.7253 2.8587 2.8587 2.8627 2.8627 4.7335 4.7335 4.7431 4.7431 4.9042 4.9042 4.9129 4.9129 5.8033 5.8033 5.8103 5.8103 5.9163 5.9163 5.9235 5.9235 6.6574 6.6574 6.6632 6.6632 6.7178 6.7178 6.7262 6.7262 6.9123 6.9123 6.9361 6.9361 6.9962 6.9962 7.0006 7.0006 7.0606 7.0606 7.0665 7.0665 7.3440 7.3440 7.3503 7.3503 7.4462 7.4462 7.4471 7.4471 7.5804 7.5804 7.5870 7.5870 8.5400 8.5400 8.5457 8.5457 8.6307 8.6307 8.6471 8.6471 8.7869 8.7870 k = 0.2609 0.1506 0.7208 ( 13178 PWs) bands (ev): 1.6751 1.6751 1.6751 1.6751 2.6822 2.6822 2.6851 2.6851 2.8473 2.8473 2.8510 2.8510 4.7067 4.7067 4.7151 4.7151 4.9095 4.9095 4.9166 4.9166 5.8452 5.8452 5.8537 5.8537 5.9266 5.9266 5.9353 5.9353 6.6382 6.6382 6.6445 6.6445 6.7132 6.7132 6.7211 6.7211 6.9183 6.9183 6.9380 6.9380 7.0106 7.0106 7.0127 7.0127 7.0723 7.0723 7.0762 7.0762 7.3631 7.3631 7.3672 7.3672 7.4671 7.4671 7.4703 7.4703 7.6160 7.6160 7.6235 7.6235 8.5260 8.5260 8.5304 8.5304 8.6234 8.6234 8.6381 8.6381 8.7983 8.7983 k = 0.2826 0.1632 0.7208 ( 13166 PWs) bands (ev): 1.7061 1.7061 1.7061 1.7061 2.6403 2.6403 2.6428 2.6428 2.8363 2.8363 2.8398 2.8398 4.6812 4.6812 4.6885 4.6885 4.9165 4.9165 4.9222 4.9222 5.8716 5.8716 5.8782 5.8782 5.9532 5.9532 5.9601 5.9601 6.6135 6.6135 6.6202 6.6202 6.7142 6.7142 6.7212 6.7212 6.9206 6.9206 6.9358 6.9358 7.0272 7.0272 7.0279 7.0279 7.0870 7.0870 7.0878 7.0878 7.3828 7.3828 7.3847 7.3847 7.4855 7.4855 7.4905 7.4905 7.6553 7.6553 7.6630 7.6630 8.5084 8.5084 8.5108 8.5108 8.6189 8.6189 8.6311 8.6311 8.8107 8.8107 k = 0.3043 0.1757 0.7208 ( 13152 PWs) bands (ev): 1.7390 1.7390 1.7390 1.7390 2.5965 2.5965 2.5988 2.5988 2.8259 2.8259 2.8291 2.8291 4.6573 4.6573 4.6637 4.6637 4.9248 4.9248 4.9293 4.9293 5.8814 5.8814 5.8846 5.8846 5.9950 5.9950 5.9984 5.9984 6.5871 6.5871 6.5941 6.5941 6.7177 6.7177 6.7238 6.7238 6.9200 6.9200 6.9315 6.9315 7.0421 7.0421 7.0432 7.0432 7.1018 7.1018 7.1048 7.1048 7.4030 7.4030 7.4031 7.4031 7.5017 7.5017 7.5080 7.5080 7.6976 7.6976 7.7050 7.7050 8.4866 8.4866 8.4867 8.4867 8.6174 8.6174 8.6270 8.6270 8.8241 8.8241 k = 0.3261 0.1883 0.7208 ( 13156 PWs) bands (ev): 1.7737 1.7737 1.7737 1.7737 2.5515 2.5515 2.5534 2.5534 2.8163 2.8163 2.8192 2.8192 4.6354 4.6354 4.6408 4.6408 4.9340 4.9340 4.9375 4.9375 5.8827 5.8827 5.8838 5.8838 6.0410 6.0410 6.0421 6.0421 6.5604 6.5604 6.5675 6.5675 6.7229 6.7229 6.7282 6.7282 6.9172 6.9172 6.9259 6.9259 7.0541 7.0541 7.0563 7.0563 7.1183 7.1183 7.1246 7.1246 7.4219 7.4219 7.4239 7.4239 7.5158 7.5158 7.5229 7.5229 7.7422 7.7422 7.7489 7.7489 8.4585 8.4585 8.4605 8.4605 8.6188 8.6188 8.6258 8.6258 8.8384 8.8384 k = 0.3478 0.2008 0.7208 ( 13164 PWs) bands (ev): 1.8100 1.8100 1.8100 1.8100 2.5055 2.5055 2.5072 2.5072 2.8075 2.8075 2.8101 2.8101 4.6155 4.6155 4.6201 4.6201 4.9437 4.9437 4.9462 4.9462 5.8802 5.8802 5.8803 5.8803 6.0861 6.0861 6.0865 6.0865 6.5340 6.5340 6.5411 6.5411 6.7295 6.7295 6.7340 6.7340 6.9129 6.9129 6.9194 6.9194 7.0635 7.0635 7.0666 7.0666 7.1361 7.1361 7.1445 7.1445 7.4411 7.4411 7.4449 7.4449 7.5279 7.5279 7.5357 7.5357 7.7886 7.7886 7.7942 7.7942 8.4267 8.4267 8.4302 8.4302 8.6227 8.6227 8.6278 8.6278 8.8531 8.8531 k = 0.3696 0.2134 0.7208 ( 13168 PWs) bands (ev): 1.8475 1.8475 1.8475 1.8475 2.4592 2.4592 2.4606 2.4606 2.7997 2.7997 2.8019 2.8019 4.5980 4.5980 4.6018 4.6018 4.9532 4.9532 4.9551 4.9551 5.8755 5.8755 5.8761 5.8761 6.1286 6.1286 6.1300 6.1300 6.5081 6.5081 6.5151 6.5151 6.7373 6.7373 6.7410 6.7410 6.9074 6.9074 6.9123 6.9123 7.0710 7.0710 7.0745 7.0745 7.1537 7.1537 7.1629 7.1629 7.4604 7.4604 7.4655 7.4655 7.5381 7.5381 7.5462 7.5462 7.8364 7.8364 7.8407 7.8407 8.3917 8.3917 8.3963 8.3963 8.6289 8.6289 8.6325 8.6325 8.8679 8.8679 k = 0.3913 0.2259 0.7208 ( 13162 PWs) bands (ev): 1.8858 1.8858 1.8858 1.8858 2.4131 2.4131 2.4142 2.4142 2.7930 2.7930 2.7948 2.7948 4.5829 4.5829 4.5861 4.5861 4.9623 4.9623 4.9636 4.9636 5.8704 5.8704 5.8713 5.8713 6.1687 6.1687 6.1709 6.1709 6.4828 6.4828 6.4896 6.4896 6.7461 6.7461 6.7491 6.7491 6.9013 6.9013 6.9049 6.9049 7.0772 7.0772 7.0806 7.0806 7.1697 7.1697 7.1788 7.1788 7.4790 7.4790 7.4852 7.4852 7.5462 7.5462 7.5544 7.5544 7.8852 7.8852 7.8881 7.8881 8.3540 8.3540 8.3592 8.3592 8.6371 8.6371 8.6396 8.6396 8.8820 8.8820 k = 0.4130 0.2385 0.7208 ( 13162 PWs) bands (ev): 1.9241 1.9241 1.9242 1.9242 2.3681 2.3681 2.3690 2.3690 2.7874 2.7874 2.7889 2.7889 4.5705 4.5705 4.5730 4.5730 4.9704 4.9704 4.9713 4.9713 5.8655 5.8655 5.8665 5.8665 6.2059 6.2059 6.2088 6.2088 6.4581 6.4581 6.4645 6.4645 6.7554 6.7554 6.7577 6.7577 6.8947 6.8947 6.8973 6.8973 7.0821 7.0821 7.0851 7.0851 7.1836 7.1836 7.1916 7.1916 7.4963 7.4963 7.5032 7.5032 7.5521 7.5521 7.5604 7.5604 7.9345 7.9345 7.9359 7.9359 8.3138 8.3138 8.3194 8.3194 8.6466 8.6466 8.6485 8.6485 8.8947 8.8947 k = 0.4348 0.2510 0.7208 ( 13162 PWs) bands (ev): 1.9614 1.9614 1.9615 1.9615 2.3256 2.3256 2.3263 2.3263 2.7830 2.7830 2.7841 2.7841 4.5608 4.5608 4.5626 4.5626 4.9772 4.9772 4.9777 4.9777 5.8612 5.8612 5.8621 5.8621 6.2398 6.2398 6.2431 6.2431 6.4342 6.4342 6.4402 6.4402 6.7645 6.7645 6.7662 6.7662 6.8882 6.8882 6.8900 6.8900 7.0860 7.0860 7.0884 7.0884 7.1948 7.1948 7.2013 7.2013 7.5117 7.5117 7.5189 7.5189 7.5560 7.5560 7.5641 7.5641 7.9839 7.9839 7.9839 7.9839 8.2719 8.2719 8.2774 8.2774 8.6567 8.6567 8.6581 8.6581 8.9053 8.9053 k = 0.4565 0.2636 0.7208 ( 13152 PWs) bands (ev): 1.9951 1.9951 1.9952 1.9952 2.2881 2.2881 2.2886 2.2886 2.7799 2.7799 2.7807 2.7807 4.5539 4.5539 4.5551 4.5551 4.9823 4.9823 4.9826 4.9826 5.8580 5.8580 5.8586 5.8586 6.2697 6.2697 6.2731 6.2731 6.4118 6.4118 6.4170 6.4170 6.7724 6.7724 6.7736 6.7736 6.8824 6.8824 6.8835 6.8835 7.0889 7.0889 7.0906 7.0906 7.2032 7.2032 7.2078 7.2078 7.5246 7.5246 7.5313 7.5313 7.5581 7.5581 7.5653 7.5653 8.0313 8.0313 8.0326 8.0326 8.2288 8.2288 8.2339 8.2339 8.6660 8.6660 8.6671 8.6671 8.9138 8.9138 k = 0.4783 0.2761 0.7208 ( 13152 PWs) bands (ev): 2.0206 2.0206 2.0207 2.0207 2.2604 2.2604 2.2607 2.2607 2.7781 2.7781 2.7785 2.7785 4.5499 4.5499 4.5505 4.5505 4.9855 4.9855 4.9856 4.9856 5.8560 5.8560 5.8563 5.8563 6.2935 6.2935 6.2962 6.2962 6.3935 6.3935 6.3971 6.3971 6.7781 6.7781 6.7787 6.7787 6.8784 6.8784 6.8789 6.8789 7.0908 7.0908 7.0916 7.0916 7.2088 7.2088 7.2111 7.2111 7.5343 7.5343 7.5389 7.5389 7.5594 7.5594 7.5642 7.5642 8.0762 8.0762 8.0785 8.0785 8.1867 8.1867 8.1909 8.1909 8.6729 8.6729 8.6735 8.6735 8.9217 8.9220 k = 0.5000 0.2887 0.7208 ( 13144 PWs) bands (ev): 2.0306 2.0306 2.0306 2.0306 2.2497 2.2497 2.2497 2.2497 2.7776 2.7776 2.7776 2.7776 4.5487 4.5487 4.5487 4.5487 4.9866 4.9866 4.9866 4.9866 5.8554 5.8554 5.8554 5.8554 6.3048 6.3048 6.3048 6.3048 6.3867 6.3867 6.3867 6.3867 6.7804 6.7804 6.7804 6.7804 6.8770 6.8770 6.8770 6.8770 7.0917 7.0917 7.0917 7.0917 7.2115 7.2115 7.2115 7.2115 7.5397 7.5397 7.5397 7.5397 7.5616 7.5616 7.5616 7.5616 8.1052 8.1052 8.1052 8.1052 8.1619 8.1619 8.1619 8.1619 8.6756 8.6756 8.6756 8.6756 8.9312 8.9312 k = 0.5000 0.2887 0.7208 ( 13144 PWs) bands (ev): 2.0306 2.0306 2.0306 2.0306 2.2497 2.2497 2.2497 2.2497 2.7776 2.7776 2.7776 2.7776 4.5487 4.5487 4.5487 4.5487 4.9866 4.9866 4.9866 4.9866 5.8554 5.8554 5.8554 5.8554 6.3048 6.3048 6.3048 6.3048 6.3867 6.3867 6.3867 6.3867 6.7804 6.7804 6.7804 6.7804 6.8770 6.8770 6.8770 6.8770 7.0917 7.0917 7.0917 7.0917 7.2115 7.2115 7.2115 7.2115 7.5397 7.5397 7.5397 7.5397 7.5616 7.5616 7.5616 7.5616 8.1052 8.1052 8.1052 8.1052 8.1619 8.1619 8.1619 8.1619 8.6756 8.6756 8.6756 8.6756 8.9312 8.9312 k = 0.4872 0.3109 0.7208 ( 13150 PWs) bands (ev): 2.0318 2.0318 2.0318 2.0318 2.2503 2.2503 2.2503 2.2503 2.7749 2.7749 2.7749 2.7749 4.5489 4.5489 4.5489 4.5489 4.9887 4.9887 4.9887 4.9887 5.8489 5.8489 5.8489 5.8489 6.3074 6.3074 6.3074 6.3074 6.3915 6.3915 6.3915 6.3915 6.7797 6.7797 6.7797 6.7797 6.8760 6.8760 6.8760 6.8760 7.0923 7.0923 7.0923 7.0923 7.2101 7.2101 7.2101 7.2101 7.5426 7.5426 7.5426 7.5426 7.5633 7.5633 7.5633 7.5633 8.1034 8.1034 8.1034 8.1034 8.1624 8.1624 8.1624 8.1624 8.6757 8.6757 8.6757 8.6757 8.9249 8.9249 k = 0.4744 0.3331 0.7208 ( 13158 PWs) bands (ev): 2.0352 2.0352 2.0352 2.0352 2.2520 2.2520 2.2520 2.2520 2.7666 2.7666 2.7666 2.7666 4.5494 4.5494 4.5494 4.5494 4.9950 4.9950 4.9950 4.9950 5.8301 5.8301 5.8301 5.8301 6.3149 6.3149 6.3149 6.3149 6.4051 6.4051 6.4051 6.4051 6.7776 6.7776 6.7776 6.7776 6.8731 6.8731 6.8731 6.8731 7.0940 7.0940 7.0940 7.0940 7.2060 7.2060 7.2060 7.2060 7.5504 7.5504 7.5504 7.5504 7.5687 7.5687 7.5687 7.5687 8.0983 8.0983 8.0983 8.0983 8.1640 8.1640 8.1640 8.1640 8.6758 8.6758 8.6758 8.6758 8.9033 8.9033 k = 0.4615 0.3553 0.7208 ( 13174 PWs) bands (ev): 2.0410 2.0410 2.0410 2.0410 2.2547 2.2547 2.2547 2.2547 2.7533 2.7533 2.7533 2.7533 4.5499 4.5499 4.5499 4.5499 5.0056 5.0056 5.0056 5.0056 5.8012 5.8012 5.8012 5.8012 6.3271 6.3271 6.3271 6.3271 6.4254 6.4254 6.4254 6.4254 6.7740 6.7740 6.7740 6.7740 6.8683 6.8683 6.8683 6.8683 7.0966 7.0966 7.0966 7.0966 7.1999 7.1999 7.1999 7.1999 7.5603 7.5603 7.5603 7.5603 7.5803 7.5803 7.5803 7.5803 8.0900 8.0900 8.0900 8.0900 8.1665 8.1665 8.1665 8.1665 8.6759 8.6759 8.6759 8.6759 8.8673 8.8673 k = 0.4487 0.3775 0.7208 ( 13166 PWs) bands (ev): 2.0490 2.0490 2.0490 2.0490 2.2583 2.2583 2.2583 2.2583 2.7352 2.7352 2.7352 2.7352 4.5503 4.5503 4.5503 4.5503 5.0207 5.0207 5.0207 5.0207 5.7647 5.7647 5.7647 5.7647 6.3437 6.3437 6.3437 6.3437 6.4498 6.4498 6.4498 6.4498 6.7688 6.7688 6.7688 6.7688 6.8621 6.8621 6.8621 6.8621 7.1000 7.1000 7.1000 7.1000 7.1924 7.1924 7.1924 7.1924 7.5698 7.5698 7.5698 7.5698 7.5995 7.5995 7.5995 7.5995 8.0786 8.0786 8.0786 8.0786 8.1697 8.1697 8.1697 8.1697 8.6758 8.6758 8.6758 8.6758 8.8243 8.8243 k = 0.4359 0.3997 0.7208 ( 13156 PWs) bands (ev): 2.0593 2.0593 2.0593 2.0593 2.2625 2.2625 2.2625 2.2625 2.7132 2.7132 2.7132 2.7132 4.5504 4.5504 4.5504 4.5504 5.0402 5.0402 5.0402 5.0402 5.7226 5.7226 5.7226 5.7226 6.3643 6.3643 6.3643 6.3643 6.4760 6.4760 6.4760 6.4760 6.7619 6.7619 6.7619 6.7619 6.8548 6.8548 6.8548 6.8548 7.1040 7.1040 7.1040 7.1040 7.1842 7.1842 7.1842 7.1842 7.5793 7.5793 7.5793 7.5793 7.6250 7.6250 7.6250 7.6250 8.0647 8.0647 8.0647 8.0647 8.1734 8.1734 8.1734 8.1734 8.6753 8.6753 8.6753 8.6753 8.7800 8.7800 k = 0.4231 0.4219 0.7208 ( 13152 PWs) bands (ev): 2.0718 2.0718 2.0718 2.0718 2.2668 2.2668 2.2668 2.2668 2.6882 2.6882 2.6882 2.6882 4.5498 4.5498 4.5498 4.5498 5.0643 5.0643 5.0643 5.0643 5.6768 5.6768 5.6768 5.6768 6.3881 6.3881 6.3881 6.3881 6.5023 6.5023 6.5023 6.5023 6.7531 6.7531 6.7531 6.7531 6.8468 6.8468 6.8468 6.8468 7.1082 7.1082 7.1082 7.1082 7.1759 7.1759 7.1759 7.1759 7.5891 7.5891 7.5891 7.5891 7.6551 7.6551 7.6551 7.6551 8.0486 8.0486 8.0486 8.0486 8.1770 8.1770 8.1770 8.1770 8.6737 8.6737 8.6737 8.6737 8.7379 8.7379 k = 0.4103 0.4441 0.7208 ( 13144 PWs) bands (ev): 2.0865 2.0865 2.0865 2.0865 2.2707 2.2707 2.2707 2.2707 2.6611 2.6611 2.6611 2.6611 4.5486 4.5486 4.5486 4.5486 5.0927 5.0927 5.0927 5.0927 5.6287 5.6287 5.6287 5.6287 6.4144 6.4144 6.4144 6.4144 6.5272 6.5272 6.5272 6.5272 6.7424 6.7424 6.7424 6.7424 6.8383 6.8383 6.8383 6.8383 7.1125 7.1125 7.1125 7.1125 7.1682 7.1682 7.1682 7.1682 7.5993 7.5993 7.5993 7.5993 7.6889 7.6889 7.6889 7.6889 8.0307 8.0307 8.0307 8.0307 8.1798 8.1798 8.1798 8.1798 8.6691 8.6691 8.6692 8.6692 8.7018 8.7018 k = 0.3974 0.4663 0.7208 ( 13136 PWs) bands (ev): 2.1034 2.1034 2.1034 2.1034 2.2732 2.2732 2.2732 2.2732 2.6335 2.6335 2.6335 2.6335 4.5469 4.5469 4.5469 4.5469 5.1252 5.1252 5.1252 5.1252 5.5793 5.5793 5.5793 5.5793 6.4426 6.4426 6.4426 6.4426 6.5498 6.5498 6.5498 6.5498 6.7296 6.7296 6.7296 6.7296 6.8298 6.8298 6.8298 6.8298 7.1167 7.1167 7.1167 7.1167 7.1613 7.1613 7.1613 7.1613 7.6095 7.6095 7.6095 7.6095 7.7255 7.7255 7.7255 7.7255 8.0113 8.0113 8.0113 8.0113 8.1809 8.1809 8.1809 8.1809 8.6539 8.6539 8.6540 8.6540 8.6806 8.6806 k = 0.3846 0.4885 0.7208 ( 13134 PWs) bands (ev): 2.1224 2.1224 2.1224 2.1224 2.2732 2.2732 2.2732 2.2732 2.6071 2.6071 2.6071 2.6071 4.5449 4.5449 4.5449 4.5449 5.1614 5.1614 5.1614 5.1614 5.5293 5.5293 5.5293 5.5293 6.4717 6.4717 6.4717 6.4717 6.5692 6.5692 6.5692 6.5692 6.7148 6.7148 6.7148 6.7148 6.8218 6.8218 6.8218 6.8218 7.1207 7.1207 7.1207 7.1207 7.1555 7.1555 7.1555 7.1555 7.6191 7.6191 7.6191 7.6191 7.7641 7.7641 7.7641 7.7641 7.9911 7.9911 7.9911 7.9911 8.1796 8.1796 8.1796 8.1796 8.6318 8.6318 8.6318 8.6318 8.6720 8.6720 k = 0.3718 0.5107 0.7208 ( 13126 PWs) bands (ev): 2.1434 2.1434 2.1434 2.1434 2.2691 2.2691 2.2691 2.2691 2.5839 2.5839 2.5839 2.5839 4.5427 4.5427 4.5427 4.5427 5.2007 5.2007 5.2007 5.2007 5.4794 5.4794 5.4794 5.4794 6.5006 6.5006 6.5006 6.5006 6.5844 6.5844 6.5844 6.5844 6.6987 6.6987 6.6987 6.6987 6.8145 6.8145 6.8145 6.8145 7.1240 7.1240 7.1240 7.1240 7.1512 7.1512 7.1512 7.1512 7.6276 7.6276 7.6276 7.6276 7.8033 7.8033 7.8033 7.8033 7.9702 7.9702 7.9702 7.9702 8.1752 8.1752 8.1752 8.1752 8.6152 8.6152 8.6152 8.6152 8.6641 8.6641 k = 0.3590 0.5329 0.7208 ( 13126 PWs) bands (ev): 2.1663 2.1663 2.1663 2.1663 2.2592 2.2592 2.2592 2.2592 2.5659 2.5659 2.5659 2.5659 4.5408 4.5408 4.5408 4.5408 5.2427 5.2427 5.2427 5.2427 5.4301 5.4301 5.4301 5.4301 6.5284 6.5284 6.5284 6.5284 6.5936 6.5936 6.5936 6.5936 6.6829 6.6829 6.6829 6.6829 6.8085 6.8085 6.8085 6.8085 7.1266 7.1266 7.1266 7.1266 7.1483 7.1483 7.1483 7.1483 7.6343 7.6343 7.6343 7.6343 7.8415 7.8415 7.8415 7.8415 7.9492 7.9492 7.9492 7.9492 8.1681 8.1681 8.1681 8.1681 8.6073 8.6073 8.6073 8.6073 8.6545 8.6545 k = 0.3462 0.5551 0.7208 ( 13126 PWs) bands (ev): 2.1912 2.1912 2.1912 2.1912 2.2422 2.2422 2.2422 2.2422 2.5549 2.5549 2.5549 2.5549 4.5395 4.5395 4.5395 4.5395 5.2865 5.2865 5.2865 5.2865 5.3820 5.3820 5.3820 5.3820 6.5535 6.5535 6.5535 6.5535 6.5935 6.5935 6.5935 6.5935 6.6713 6.6713 6.6713 6.6713 6.8044 6.8044 6.8044 6.8044 7.1281 7.1281 7.1281 7.1281 7.1469 7.1469 7.1469 7.1469 7.6387 7.6387 7.6387 7.6387 7.8752 7.8752 7.8752 7.8752 7.9290 7.9290 7.9290 7.9290 8.1605 8.1605 8.1605 8.1605 8.6079 8.6079 8.6079 8.6079 8.6434 8.6434 k = 0.3333 0.5774 0.7208 ( 13122 PWs) bands (ev): 2.2162 2.2162 2.2162 2.2162 2.2197 2.2197 2.2197 2.2197 2.5513 2.5513 2.5513 2.5513 4.5389 4.5389 4.5389 4.5389 5.3239 5.3239 5.3239 5.3239 5.3433 5.3433 5.3433 5.3433 6.5696 6.5696 6.5696 6.5696 6.5858 6.5858 6.5858 6.5858 6.6675 6.6675 6.6675 6.6675 6.8030 6.8030 6.8030 6.8030 7.1286 7.1286 7.1286 7.1286 7.1465 7.1465 7.1465 7.1466 7.6403 7.6403 7.6403 7.6403 7.8936 7.8936 7.8936 7.8936 7.9163 7.9163 7.9163 7.9163 8.1567 8.1567 8.1567 8.1567 8.6118 8.6118 8.6119 8.6119 8.6360 8.6360 k = 0.3333 0.5774 0.7208 ( 13122 PWs) bands (ev): 2.2162 2.2162 2.2162 2.2162 2.2197 2.2197 2.2197 2.2197 2.5513 2.5513 2.5513 2.5513 4.5389 4.5389 4.5389 4.5389 5.3239 5.3239 5.3239 5.3239 5.3433 5.3433 5.3433 5.3433 6.5696 6.5696 6.5696 6.5696 6.5858 6.5858 6.5858 6.5858 6.6675 6.6675 6.6675 6.6675 6.8030 6.8030 6.8030 6.8030 7.1286 7.1286 7.1286 7.1286 7.1465 7.1465 7.1465 7.1466 7.6403 7.6403 7.6403 7.6403 7.8936 7.8936 7.8936 7.8936 7.9163 7.9163 7.9163 7.9163 8.1567 8.1567 8.1567 8.1567 8.6118 8.6118 8.6119 8.6119 8.6360 8.6360 k = 0.3205 0.5551 0.7208 ( 13122 PWs) bands (ev): 2.1874 2.1874 2.1874 2.1874 2.2464 2.2464 2.2464 2.2464 2.5546 2.5546 2.5546 2.5546 4.5396 4.5396 4.5396 4.5396 5.2866 5.2866 5.2866 5.2866 5.3818 5.3818 5.3818 5.3818 6.5508 6.5508 6.5508 6.5508 6.5974 6.5974 6.5974 6.5974 6.6700 6.6700 6.6700 6.6700 6.8046 6.8046 6.8046 6.8046 7.1282 7.1282 7.1282 7.1282 7.1466 7.1466 7.1466 7.1466 7.6386 7.6386 7.6386 7.6386 7.8802 7.8802 7.8802 7.8802 7.9223 7.9223 7.9223 7.9223 8.1624 8.1624 8.1624 8.1624 8.6042 8.6042 8.6042 8.6042 8.6471 8.6471 k = 0.3077 0.5329 0.7208 ( 13134 PWs) bands (ev): 2.1520 2.1520 2.1520 2.1520 2.2765 2.2765 2.2765 2.2765 2.5634 2.5634 2.5634 2.5634 4.5415 4.5415 4.5415 4.5415 5.2429 5.2429 5.2429 5.2429 5.4292 5.4292 5.4292 5.4292 6.5188 6.5188 6.5188 6.5188 6.6102 6.6102 6.6102 6.6102 6.6750 6.6750 6.6750 6.6750 6.8095 6.8095 6.8095 6.8095 7.1272 7.1272 7.1272 7.1272 7.1464 7.1464 7.1464 7.1464 7.6336 7.6336 7.6336 7.6336 7.8598 7.8598 7.8598 7.8598 7.9192 7.9192 7.9192 7.9192 8.1811 8.1811 8.1811 8.1811 8.5900 8.5900 8.5900 8.5900 8.6715 8.6715 k = 0.2949 0.5107 0.7208 ( 13142 PWs) bands (ev): 2.1132 2.1132 2.1132 2.1132 2.3080 2.3080 2.3080 2.3080 2.5766 2.5766 2.5766 2.5766 4.5452 4.5452 4.5452 4.5452 5.2008 5.2008 5.2008 5.2008 5.4772 5.4772 5.4772 5.4772 6.4813 6.4813 6.4813 6.4813 6.6189 6.6189 6.6189 6.6189 6.6810 6.6810 6.6810 6.6810 6.8174 6.8174 6.8174 6.8174 7.1255 7.1255 7.1255 7.1255 7.1452 7.1452 7.1452 7.1452 7.6251 7.6251 7.6251 7.6251 7.8383 7.8383 7.8383 7.8383 7.9030 7.9030 7.9030 7.9030 8.2110 8.2110 8.2110 8.2110 8.5755 8.5755 8.5755 8.5755 8.7028 8.7028 k = 0.2821 0.4885 0.7208 ( 13146 PWs) bands (ev): 2.0723 2.0723 2.0723 2.0723 2.3409 2.3409 2.3409 2.3409 2.5930 2.5930 2.5930 2.5930 4.5505 4.5505 4.5505 4.5505 5.1607 5.1607 5.1607 5.1607 5.5249 5.5249 5.5249 5.5249 6.4397 6.4397 6.4397 6.4397 6.6238 6.6238 6.6238 6.6238 6.6873 6.6873 6.6873 6.6873 6.8274 6.8274 6.8274 6.8274 7.1230 7.1230 7.1230 7.1230 7.1427 7.1427 7.1427 7.1427 7.6134 7.6134 7.6134 7.6134 7.8162 7.8162 7.8162 7.8162 7.8777 7.8777 7.8777 7.8777 8.2478 8.2478 8.2478 8.2478 8.5624 8.5624 8.5624 8.5624 8.7392 8.7392 k = 0.2692 0.4663 0.7208 ( 13160 PWs) bands (ev): 2.0302 2.0302 2.0302 2.0302 2.3750 2.3750 2.3750 2.3750 2.6117 2.6117 2.6117 2.6117 4.5579 4.5579 4.5579 4.5579 5.1228 5.1228 5.1228 5.1228 5.5719 5.5719 5.5719 5.5719 6.3948 6.3948 6.3948 6.3948 6.6261 6.6261 6.6261 6.6261 6.6939 6.6939 6.6939 6.6939 6.8384 6.8384 6.8384 6.8384 7.1196 7.1196 7.1196 7.1196 7.1386 7.1386 7.1386 7.1386 7.5986 7.5986 7.5986 7.5986 7.7935 7.7935 7.7935 7.7935 7.8468 7.8468 7.8468 7.8468 8.2877 8.2877 8.2877 8.2877 8.5515 8.5515 8.5515 8.5515 8.7793 8.7793 k = 0.2564 0.4441 0.7208 ( 13164 PWs) bands (ev): 1.9878 1.9878 1.9878 1.9878 2.4101 2.4101 2.4101 2.4101 2.6322 2.6322 2.6322 2.6322 4.5673 4.5673 4.5673 4.5673 5.0874 5.0874 5.0874 5.0874 5.6177 5.6177 5.6177 5.6177 6.3469 6.3469 6.3469 6.3469 6.6266 6.6266 6.6266 6.6266 6.7006 6.7006 6.7006 6.7006 6.8495 6.8495 6.8495 6.8495 7.1146 7.1146 7.1146 7.1146 7.1329 7.1329 7.1329 7.1329 7.5812 7.5812 7.5812 7.5812 7.7702 7.7702 7.7702 7.7702 7.8127 7.8127 7.8127 7.8127 8.3284 8.3284 8.3284 8.3284 8.5431 8.5431 8.5431 8.5431 8.8213 8.8213 k = 0.2436 0.4219 0.7208 ( 13160 PWs) bands (ev): 1.9455 1.9455 1.9455 1.9455 2.4462 2.4462 2.4462 2.4462 2.6539 2.6539 2.6539 2.6539 4.5788 4.5788 4.5788 4.5788 5.0545 5.0545 5.0545 5.0545 5.6617 5.6617 5.6617 5.6617 6.2965 6.2965 6.2965 6.2965 6.6264 6.6264 6.6264 6.6264 6.7078 6.7078 6.7078 6.7078 6.8598 6.8598 6.8598 6.8598 7.1074 7.1074 7.1074 7.1074 7.1262 7.1262 7.1262 7.1262 7.5614 7.5614 7.5614 7.5614 7.7462 7.7462 7.7462 7.7462 7.7771 7.7771 7.7771 7.7771 8.3684 8.3684 8.3684 8.3684 8.5375 8.5375 8.5375 8.5375 8.8610 8.8610 k = 0.2308 0.3997 0.7208 ( 13146 PWs) bands (ev): 1.9038 1.9038 1.9038 1.9038 2.4829 2.4829 2.4829 2.4829 2.6763 2.6763 2.6763 2.6763 4.5925 4.5925 4.5925 4.5925 5.0244 5.0244 5.0244 5.0244 5.7033 5.7033 5.7033 5.7033 6.2439 6.2439 6.2439 6.2439 6.6262 6.6262 6.6262 6.6262 6.7155 6.7155 6.7155 6.7155 6.8690 6.8690 6.8690 6.8690 7.0971 7.0971 7.0971 7.0971 7.1191 7.1191 7.1191 7.1191 7.5397 7.5397 7.5397 7.5397 7.7213 7.7213 7.7213 7.7213 7.7410 7.7410 7.7410 7.7410 8.4067 8.4067 8.4067 8.4067 8.5344 8.5344 8.5344 8.5344 8.8834 8.8834 k = 0.2179 0.3775 0.7208 ( 13146 PWs) bands (ev): 1.8631 1.8631 1.8631 1.8631 2.5200 2.5200 2.5200 2.5200 2.6992 2.6992 2.6992 2.6992 4.6084 4.6084 4.6084 4.6084 4.9971 4.9971 4.9971 4.9971 5.7421 5.7421 5.7421 5.7421 6.1894 6.1894 6.1894 6.1894 6.6267 6.6267 6.6267 6.6267 6.7237 6.7237 6.7237 6.7237 6.8764 6.8764 6.8764 6.8764 7.0837 7.0837 7.0837 7.0837 7.1120 7.1120 7.1120 7.1120 7.5164 7.5164 7.5164 7.5164 7.6933 7.6933 7.6933 7.6933 7.7074 7.7074 7.7074 7.7074 8.4427 8.4427 8.4427 8.4427 8.5339 8.5339 8.5339 8.5339 8.8826 8.8826 k = 0.2051 0.3553 0.7208 ( 13152 PWs) bands (ev): 1.8237 1.8237 1.8237 1.8237 2.5574 2.5574 2.5574 2.5574 2.7223 2.7223 2.7223 2.7223 4.6264 4.6264 4.6264 4.6264 4.9729 4.9729 4.9729 4.9729 5.7775 5.7775 5.7775 5.7775 6.1332 6.1332 6.1332 6.1332 6.6284 6.6284 6.6284 6.6284 6.7326 6.7326 6.7326 6.7326 6.8817 6.8817 6.8817 6.8817 7.0678 7.0678 7.0678 7.0678 7.1049 7.1049 7.1049 7.1049 7.4922 7.4922 7.4922 7.4922 7.6593 7.6593 7.6593 7.6593 7.6796 7.6796 7.6796 7.6796 8.4757 8.4757 8.4757 8.4757 8.5357 8.5357 8.5357 8.5357 8.8739 8.8739 k = 0.1923 0.3331 0.7208 ( 13152 PWs) bands (ev): 1.7857 1.7857 1.7857 1.7857 2.5947 2.5947 2.5947 2.5947 2.7452 2.7452 2.7452 2.7452 4.6465 4.6465 4.6465 4.6465 4.9518 4.9518 4.9518 4.9518 5.8089 5.8089 5.8089 5.8089 6.0758 6.0758 6.0758 6.0758 6.6315 6.6315 6.6315 6.6315 6.7422 6.7422 6.7422 6.7422 6.8846 6.8846 6.8846 6.8846 7.0504 7.0504 7.0504 7.0504 7.0975 7.0975 7.0975 7.0975 7.4674 7.4674 7.4674 7.4674 7.6226 7.6226 7.6226 7.6226 7.6548 7.6548 7.6548 7.6548 8.5048 8.5048 8.5048 8.5048 8.5405 8.5405 8.5405 8.5405 8.8623 8.8623 k = 0.1795 0.3109 0.7208 ( 13160 PWs) bands (ev): 1.7495 1.7495 1.7495 1.7495 2.6318 2.6318 2.6318 2.6318 2.7678 2.7678 2.7678 2.7678 4.6686 4.6686 4.6686 4.6686 4.9340 4.9340 4.9340 4.9340 5.8358 5.8358 5.8358 5.8358 6.0173 6.0173 6.0173 6.0173 6.6362 6.6362 6.6362 6.6362 6.7527 6.7527 6.7527 6.7527 6.8843 6.8843 6.8843 6.8843 7.0331 7.0331 7.0331 7.0331 7.0898 7.0898 7.0898 7.0898 7.4427 7.4427 7.4427 7.4427 7.5853 7.5853 7.5853 7.5853 7.6309 7.6309 7.6309 7.6309 8.5265 8.5265 8.5265 8.5265 8.5513 8.5513 8.5513 8.5513 8.8493 8.8493 k = 0.1667 0.2887 0.7208 ( 13176 PWs) bands (ev): 1.7152 1.7152 1.7152 1.7152 2.6682 2.6682 2.6682 2.6682 2.7898 2.7898 2.7898 2.7898 4.6924 4.6924 4.6924 4.6924 4.9195 4.9195 4.9195 4.9195 5.8578 5.8578 5.8578 5.8578 5.9584 5.9584 5.9584 5.9584 6.6425 6.6425 6.6425 6.6425 6.7639 6.7639 6.7639 6.7639 6.8802 6.8802 6.8802 6.8802 7.0174 7.0174 7.0174 7.0174 7.0818 7.0818 7.0818 7.0818 7.4183 7.4183 7.4183 7.4183 7.5480 7.5480 7.5480 7.5480 7.6074 7.6074 7.6074 7.6074 8.5381 8.5381 8.5381 8.5381 8.5705 8.5705 8.5705 8.5705 8.8359 8.8359 k = 0.1538 0.2665 0.7208 ( 13188 PWs) bands (ev): 1.6829 1.6829 1.6829 1.6829 2.7038 2.7038 2.7038 2.7038 2.8111 2.8111 2.8111 2.8111 4.7177 4.7177 4.7177 4.7177 4.9086 4.9086 4.9086 4.9086 5.8736 5.8736 5.8736 5.8736 5.9003 5.9003 5.9003 5.9003 6.6496 6.6496 6.6496 6.6496 6.7760 6.7760 6.7760 6.7760 6.8724 6.8724 6.8724 6.8724 7.0050 7.0050 7.0050 7.0050 7.0737 7.0737 7.0737 7.0737 7.3946 7.3946 7.3946 7.3946 7.5111 7.5111 7.5111 7.5111 7.5842 7.5842 7.5842 7.5842 8.5455 8.5455 8.5455 8.5455 8.5920 8.5920 8.5920 8.5920 8.8224 8.8224 k = 0.1410 0.2443 0.7208 ( 13194 PWs) bands (ev): 1.6528 1.6528 1.6528 1.6528 2.7381 2.7381 2.7381 2.7381 2.8314 2.8314 2.8314 2.8314 4.7443 4.7443 4.7443 4.7443 4.9012 4.9012 4.9012 4.9012 5.8378 5.8378 5.8378 5.8378 5.8890 5.8890 5.8890 5.8890 6.6565 6.6565 6.6565 6.6565 6.7889 6.7889 6.7889 6.7889 6.8622 6.8622 6.8622 6.8622 6.9966 6.9966 6.9966 6.9966 7.0657 7.0657 7.0657 7.0657 7.3718 7.3718 7.3718 7.3718 7.4746 7.4746 7.4746 7.4746 7.5614 7.5614 7.5614 7.5614 8.5521 8.5521 8.5521 8.5521 8.6121 8.6121 8.6121 8.6121 8.8094 8.8094 k = 0.1282 0.2221 0.7208 ( 13190 PWs) bands (ev): 1.6250 1.6250 1.6250 1.6250 2.7708 2.7708 2.7708 2.7708 2.8506 2.8506 2.8506 2.8506 4.7716 4.7716 4.7716 4.7716 4.8974 4.8974 4.8974 4.8974 5.7792 5.7792 5.7792 5.7792 5.8960 5.8960 5.8960 5.8960 6.6614 6.6614 6.6614 6.6614 6.8025 6.8025 6.8025 6.8025 6.8523 6.8523 6.8523 6.8523 6.9917 6.9917 6.9917 6.9917 7.0578 7.0578 7.0578 7.0578 7.3498 7.3498 7.3498 7.3498 7.4388 7.4388 7.4388 7.4388 7.5392 7.5392 7.5392 7.5392 8.5585 8.5585 8.5585 8.5585 8.6304 8.6304 8.6304 8.6304 8.7969 8.7969 k = 0.1154 0.1999 0.7208 ( 13202 PWs) bands (ev): 1.5996 1.5996 1.5996 1.5996 2.8017 2.8017 2.8017 2.8017 2.8685 2.8685 2.8685 2.8685 4.7993 4.7993 4.7993 4.7993 4.8974 4.8974 4.8974 4.8974 5.7212 5.7212 5.7212 5.7212 5.8989 5.8989 5.8989 5.8989 6.6619 6.6619 6.6619 6.6619 6.8166 6.8166 6.8166 6.8166 6.8465 6.8465 6.8465 6.8465 6.9896 6.9896 6.9896 6.9896 7.0504 7.0504 7.0504 7.0504 7.3286 7.3286 7.3286 7.3286 7.4038 7.4038 7.4038 7.4038 7.5176 7.5176 7.5176 7.5176 8.5649 8.5649 8.5649 8.5649 8.6464 8.6464 8.6464 8.6464 8.7852 8.7852 k = 0.1026 0.1776 0.7208 ( 13202 PWs) bands (ev): 1.5766 1.5766 1.5766 1.5766 2.8303 2.8303 2.8303 2.8303 2.8851 2.8851 2.8851 2.8851 4.8266 4.8266 4.8266 4.8266 4.9011 4.9011 4.9011 4.9011 5.6645 5.6645 5.6645 5.6645 5.8981 5.8981 5.8981 5.8981 6.6565 6.6565 6.6565 6.6565 6.8309 6.8309 6.8309 6.8309 6.8477 6.8477 6.8477 6.8477 6.9896 6.9896 6.9896 6.9896 7.0436 7.0436 7.0436 7.0436 7.3079 7.3079 7.3079 7.3079 7.3699 7.3699 7.3699 7.3699 7.4972 7.4972 7.4972 7.4972 8.5712 8.5712 8.5712 8.5712 8.6603 8.6603 8.6603 8.6603 8.7743 8.7743 k = 0.0897 0.1554 0.7208 ( 13182 PWs) bands (ev): 1.5562 1.5562 1.5562 1.5562 2.8563 2.8563 2.8563 2.8563 2.9001 2.9001 2.9001 2.9001 4.8527 4.8527 4.8527 4.8527 4.9087 4.9087 4.9087 4.9087 5.6098 5.6098 5.6098 5.6098 5.8941 5.8941 5.8941 5.8941 6.6456 6.6456 6.6456 6.6456 6.8454 6.8454 6.8454 6.8454 6.8560 6.8560 6.8560 6.8560 6.9911 6.9911 6.9911 6.9911 7.0377 7.0377 7.0377 7.0377 7.2876 7.2876 7.2876 7.2876 7.3372 7.3372 7.3372 7.3372 7.4780 7.4780 7.4780 7.4780 8.5773 8.5773 8.5773 8.5773 8.6720 8.6720 8.6720 8.6720 8.7645 8.7645 k = 0.0769 0.1332 0.7208 ( 13190 PWs) bands (ev): 1.5383 1.5383 1.5383 1.5383 2.8794 2.8794 2.8794 2.8794 2.9136 2.9136 2.9136 2.9136 4.8766 4.8766 4.8766 4.8766 4.9202 4.9202 4.9202 4.9202 5.5579 5.5579 5.5579 5.5579 5.8878 5.8878 5.8878 5.8878 6.6313 6.6313 6.6313 6.6313 6.8607 6.8607 6.8607 6.8607 6.8686 6.8686 6.8686 6.8686 6.9939 6.9939 6.9939 6.9939 7.0329 7.0329 7.0329 7.0329 7.2673 7.2673 7.2673 7.2673 7.3063 7.3063 7.3063 7.3063 7.4606 7.4606 7.4606 7.4606 8.5833 8.5833 8.5833 8.5833 8.6815 8.6815 8.6815 8.6815 8.7557 8.7557 k = 0.0641 0.1110 0.7208 ( 13202 PWs) bands (ev): 1.5232 1.5232 1.5232 1.5232 2.8991 2.8991 2.8991 2.8991 2.9255 2.9255 2.9255 2.9255 4.8972 4.8972 4.8972 4.8972 4.9351 4.9351 4.9351 4.9351 5.5097 5.5097 5.5097 5.5097 5.8801 5.8801 5.8801 5.8801 6.6158 6.6158 6.6158 6.6158 6.8768 6.8768 6.8768 6.8768 6.8825 6.8825 6.8825 6.8825 6.9981 6.9981 6.9981 6.9981 7.0296 7.0296 7.0296 7.0296 7.2470 7.2470 7.2470 7.2470 7.2778 7.2778 7.2778 7.2778 7.4453 7.4453 7.4453 7.4453 8.5891 8.5891 8.5891 8.5891 8.6887 8.6887 8.6887 8.6887 8.7484 8.7484 k = 0.0513 0.0888 0.7208 ( 13186 PWs) bands (ev): 1.5107 1.5107 1.5107 1.5107 2.9152 2.9152 2.9152 2.9152 2.9357 2.9357 2.9357 2.9357 4.9145 4.9145 4.9145 4.9145 4.9519 4.9519 4.9519 4.9519 5.4663 5.4663 5.4663 5.4663 5.8719 5.8719 5.8719 5.8719 6.6012 6.6012 6.6012 6.6012 6.8923 6.8923 6.8923 6.8923 6.8959 6.8959 6.8959 6.8959 7.0036 7.0036 7.0036 7.0036 7.0280 7.0280 7.0280 7.0280 7.2268 7.2268 7.2268 7.2268 7.2523 7.2523 7.2523 7.2523 7.4324 7.4324 7.4324 7.4324 8.5943 8.5943 8.5943 8.5943 8.6935 8.6935 8.6935 8.6935 8.7428 8.7428 k = 0.0385 0.0666 0.7208 ( 13204 PWs) bands (ev): 1.5010 1.5010 1.5010 1.5010 2.9274 2.9274 2.9274 2.9274 2.9444 2.9444 2.9444 2.9444 4.9288 4.9288 4.9288 4.9288 4.9682 4.9682 4.9682 4.9682 5.4294 5.4294 5.4294 5.4294 5.8642 5.8642 5.8642 5.8642 6.5888 6.5888 6.5888 6.5888 6.9051 6.9051 6.9051 6.9051 6.9082 6.9082 6.9082 6.9082 7.0104 7.0104 7.0104 7.0104 7.0281 7.0281 7.0281 7.0281 7.2074 7.2074 7.2074 7.2074 7.2308 7.2308 7.2308 7.2308 7.4221 7.4221 7.4221 7.4221 8.5989 8.5989 8.5989 8.5989 8.6961 8.6961 8.6961 8.6961 8.7390 8.7390 k = 0.0256 0.0444 0.7208 ( 13184 PWs) bands (ev): 1.4940 1.4940 1.4940 1.4940 2.9356 2.9356 2.9356 2.9356 2.9512 2.9512 2.9512 2.9512 4.9401 4.9401 4.9401 4.9401 4.9817 4.9817 4.9817 4.9817 5.4006 5.4006 5.4006 5.4006 5.8579 5.8579 5.8579 5.8579 6.5794 6.5794 6.5794 6.5794 6.9140 6.9140 6.9140 6.9140 6.9184 6.9184 6.9184 6.9184 7.0176 7.0176 7.0176 7.0176 7.0297 7.0297 7.0297 7.0297 7.1906 7.1906 7.1906 7.1906 7.2138 7.2138 7.2138 7.2138 7.4146 7.4146 7.4146 7.4146 8.6025 8.6025 8.6025 8.6025 8.6969 8.6969 8.6969 8.6969 8.7370 8.7370 k = 0.0128 0.0222 0.7208 ( 13164 PWs) bands (ev): 1.4898 1.4898 1.4898 1.4898 2.9403 2.9403 2.9403 2.9403 2.9556 2.9556 2.9556 2.9556 4.9474 4.9474 4.9474 4.9474 4.9907 4.9907 4.9907 4.9907 5.3822 5.3822 5.3822 5.3822 5.8538 5.8538 5.8538 5.8538 6.5735 6.5735 6.5735 6.5735 6.9193 6.9193 6.9193 6.9193 6.9248 6.9248 6.9248 6.9248 7.0237 7.0237 7.0237 7.0237 7.0313 7.0313 7.0313 7.0313 7.1790 7.1790 7.1790 7.1790 7.2026 7.2026 7.2026 7.2026 7.4101 7.4101 7.4101 7.4101 8.6048 8.6048 8.6048 8.6048 8.6969 8.6969 8.6969 8.6969 8.7361 8.7361 k = 0.0000 0.0000 0.7208 ( 13164 PWs) bands (ev): 1.4884 1.4884 1.4884 1.4884 2.9418 2.9418 2.9418 2.9418 2.9572 2.9572 2.9572 2.9572 4.9499 4.9499 4.9499 4.9499 4.9938 4.9938 4.9938 4.9938 5.3758 5.3758 5.3758 5.3758 5.8524 5.8524 5.8524 5.8524 6.5716 6.5716 6.5716 6.5716 6.9210 6.9210 6.9210 6.9210 6.9270 6.9270 6.9270 6.9270 7.0262 7.0262 7.0262 7.0262 7.0319 7.0319 7.0319 7.0319 7.1749 7.1749 7.1749 7.1749 7.1986 7.1986 7.1986 7.1986 7.4086 7.4086 7.4086 7.4086 8.6056 8.6056 8.6056 8.6056 8.6967 8.6967 8.6967 8.6967 8.7359 8.7359 k = 0.5000 0.2887 0.7208 ( 13144 PWs) bands (ev): 2.0306 2.0306 2.0306 2.0306 2.2497 2.2497 2.2497 2.2497 2.7776 2.7776 2.7776 2.7776 4.5487 4.5487 4.5487 4.5487 4.9866 4.9866 4.9866 4.9866 5.8554 5.8554 5.8554 5.8554 6.3048 6.3048 6.3048 6.3048 6.3867 6.3867 6.3867 6.3867 6.7804 6.7804 6.7804 6.7804 6.8770 6.8770 6.8770 6.8770 7.0917 7.0917 7.0917 7.0917 7.2115 7.2115 7.2115 7.2115 7.5397 7.5397 7.5397 7.5397 7.5616 7.5616 7.5616 7.5616 8.1052 8.1052 8.1052 8.1052 8.1619 8.1619 8.1619 8.1619 8.6756 8.6756 8.6756 8.6756 8.9312 8.9312 k = 0.5000 0.2887 0.6951 ( 13162 PWs) bands (ev): 1.9566 1.9566 2.1064 2.1064 2.1914 2.1914 2.3069 2.3069 2.7470 2.7470 2.8094 2.8094 4.4985 4.4985 4.5977 4.5977 4.9629 4.9629 5.0135 5.0135 5.8402 5.8402 5.8675 5.8675 6.2712 6.2712 6.3385 6.3385 6.3853 6.3853 6.3882 6.3882 6.7671 6.7671 6.7915 6.7915 6.8487 6.8487 6.9054 6.9054 7.0643 7.0643 7.1209 7.1209 7.1543 7.1543 7.2683 7.2683 7.5063 7.5063 7.5413 7.5413 7.5648 7.5648 7.5869 7.5869 8.0998 8.0998 8.1085 8.1085 8.1452 8.1452 8.1752 8.1752 8.6401 8.6401 8.6994 8.6994 8.9098 8.9103 k = 0.5000 0.2887 0.6694 ( 13160 PWs) bands (ev): 1.8845 1.8845 2.1328 2.1328 2.1839 2.1839 2.3615 2.3615 2.7191 2.7191 2.8412 2.8412 4.4489 4.4489 4.6423 4.6423 4.9452 4.9452 5.0414 5.0414 5.8220 5.8220 5.8763 5.8763 6.2383 6.2383 6.3701 6.3701 6.3840 6.3840 6.3905 6.3905 6.7524 6.7524 6.7993 6.7993 6.8213 6.8213 6.9323 6.9323 7.0400 7.0400 7.0988 7.0988 7.1514 7.1514 7.3231 7.3231 7.4734 7.4734 7.5186 7.5186 7.5722 7.5722 7.6251 7.6251 8.0926 8.0926 8.1096 8.1096 8.1264 8.1264 8.1835 8.1835 8.5986 8.5986 8.7023 8.7023 8.8863 8.8864 k = 0.5000 0.2887 0.6436 ( 13144 PWs) bands (ev): 1.8143 1.8143 2.0744 2.0744 2.2631 2.2631 2.4104 2.4104 2.6968 2.6968 2.8723 2.8723 4.4011 4.4011 4.6782 4.6782 4.9382 4.9382 5.0690 5.0690 5.8012 5.8012 5.8816 5.8816 6.2071 6.2071 6.3798 6.3798 6.3868 6.3868 6.4085 6.4085 6.7370 6.7370 6.7943 6.7943 6.8032 6.8032 6.9532 6.9532 7.0219 7.0219 7.0485 7.0485 7.1825 7.1825 7.3741 7.3741 7.4431 7.4431 7.4904 7.4904 7.5730 7.5730 7.6669 7.6669 8.0837 8.0837 8.1068 8.1068 8.1083 8.1083 8.1857 8.1857 8.5548 8.5548 8.6791 8.6791 8.8575 8.8575 k = 0.5000 0.2887 0.6179 ( 13150 PWs) bands (ev): 1.7462 1.7462 2.0168 2.0168 2.3437 2.3437 2.4483 2.4483 2.6857 2.6857 2.9019 2.9019 4.3563 4.3563 4.7002 4.7002 4.9467 4.9467 5.0951 5.0951 5.7780 5.7780 5.8837 5.8837 6.1782 6.1782 6.3760 6.3760 6.3866 6.3866 6.4386 6.4386 6.7216 6.7216 6.7698 6.7698 6.7998 6.7998 6.9570 6.9570 6.9976 6.9976 7.0296 7.0296 7.2140 7.2140 7.4079 7.4079 7.4279 7.4279 7.4572 7.4572 7.5688 7.5688 7.7105 7.7105 8.0733 8.0733 8.0876 8.0876 8.1040 8.1040 8.1807 8.1807 8.5106 8.5106 8.6369 8.6369 8.8144 8.8144 k = 0.5000 0.2887 0.5921 ( 13148 PWs) bands (ev): 1.6803 1.6803 1.9603 1.9603 2.4256 2.4256 2.4678 2.4678 2.6931 2.6931 2.9295 2.9295 4.3152 4.3152 4.7069 4.7069 4.9720 4.9720 5.1186 5.1186 5.7528 5.7528 5.8826 5.8826 6.1525 6.1525 6.3691 6.3691 6.3840 6.3840 6.4681 6.4681 6.7066 6.7066 6.7470 6.7470 6.7887 6.7887 6.9439 6.9439 6.9642 6.9642 7.0475 7.0475 7.2453 7.2453 7.3867 7.3867 7.4193 7.4193 7.4652 7.4652 7.5606 7.5606 7.7545 7.7545 8.0617 8.0617 8.0703 8.0703 8.0965 8.0965 8.1679 8.1679 8.4675 8.4675 8.5861 8.5861 8.7642 8.7642 k = 0.5000 0.2887 0.5664 ( 13164 PWs) bands (ev): 1.6165 1.6165 1.9049 1.9049 2.4667 2.4667 2.5090 2.5090 2.7208 2.7208 2.9545 2.9545 4.2785 4.2785 4.7024 4.7024 5.0099 5.0099 5.1387 5.1387 5.7257 5.7257 5.8787 5.8787 6.1307 6.1307 6.3578 6.3578 6.3791 6.3791 6.4958 6.4958 6.6925 6.6925 6.7262 6.7262 6.7702 6.7702 6.9256 6.9256 6.9408 6.9408 7.0723 7.0723 7.2759 7.2759 7.3628 7.3628 7.3795 7.3795 7.5001 7.5001 7.5495 7.5495 7.7969 7.7969 8.0488 8.0488 8.0565 8.0565 8.0850 8.0850 8.1474 8.1474 8.4266 8.4266 8.5335 8.5335 8.7114 8.7114 k = 0.5000 0.2887 0.5406 ( 13138 PWs) bands (ev): 1.5551 1.5551 1.8510 1.8510 2.4514 2.4514 2.5934 2.5934 2.7625 2.7625 2.9764 2.9764 4.2468 4.2468 4.6924 4.6924 5.0543 5.0543 5.1547 5.1547 5.6971 5.6971 5.8721 5.8721 6.1134 6.1134 6.3403 6.3403 6.3719 6.3719 6.5213 6.5213 6.6797 6.6797 6.7078 6.7078 6.7478 6.7478 6.9077 6.9077 6.9253 6.9253 7.0978 7.0978 7.3049 7.3049 7.3278 7.3278 7.3509 7.3509 7.5242 7.5242 7.5407 7.5407 7.8346 7.8346 8.0349 8.0349 8.0489 8.0489 8.0688 8.0688 8.1201 8.1201 8.3885 8.3885 8.4832 8.4832 8.6584 8.6584 k = 0.5000 0.2887 0.5149 ( 13138 PWs) bands (ev): 1.4960 1.4960 1.7986 1.7986 2.4288 2.4288 2.6787 2.6787 2.8110 2.8110 2.9947 2.9947 4.2205 4.2205 4.6809 4.6809 5.1010 5.1010 5.1661 5.1661 5.6672 5.6672 5.8634 5.8634 6.1008 6.1008 6.3153 6.3153 6.3623 6.3623 6.5446 6.5446 6.6682 6.6682 6.6918 6.6918 6.7259 6.7259 6.8912 6.8912 6.9150 6.9150 7.1221 7.1221 7.2823 7.2823 7.3264 7.3264 7.3398 7.3398 7.5162 7.5162 7.5562 7.5562 7.8633 7.8633 8.0199 8.0199 8.0457 8.0457 8.0517 8.0517 8.0874 8.0874 8.3536 8.3536 8.4385 8.4385 8.6067 8.6067 k = 0.5000 0.2887 0.4891 ( 13142 PWs) bands (ev): 1.4393 1.4393 1.7480 1.7480 2.4030 2.4030 2.7649 2.7649 2.8620 2.8620 3.0090 3.0090 4.2000 4.2000 4.6703 4.6703 5.1471 5.1471 5.1731 5.1731 5.6360 5.6360 5.8529 5.8529 6.0932 6.0932 6.2826 6.2826 6.3506 6.3506 6.5656 6.5656 6.6580 6.6580 6.6782 6.6782 6.7070 6.7070 6.8757 6.8757 6.9083 6.9083 7.1430 7.1430 7.2363 7.2363 7.3182 7.3182 7.3597 7.3597 7.5009 7.5009 7.5725 7.5725 7.8794 7.8794 8.0031 8.0031 8.0189 8.0189 8.0461 8.0461 8.0690 8.0690 8.3221 8.3221 8.4016 8.4016 8.5575 8.5575 k = 0.5000 0.2887 0.4634 ( 13148 PWs) bands (ev): 1.3851 1.3851 1.6993 1.6993 2.3759 2.3759 2.8517 2.8517 2.9132 2.9132 3.0192 3.0192 4.1852 4.1852 4.6620 4.6620 5.1729 5.1729 5.1937 5.1937 5.6037 5.6037 5.8408 5.8408 6.0902 6.0902 6.2431 6.2431 6.3369 6.3369 6.5844 6.5844 6.6489 6.6489 6.6670 6.6670 6.6914 6.6914 6.8607 6.8607 6.9046 6.9046 7.1517 7.1517 7.2005 7.2005 7.3081 7.3081 7.3804 7.3804 7.4862 7.4862 7.5830 7.5830 7.8837 7.8837 7.9780 7.9780 7.9917 7.9917 8.0081 8.0081 8.0923 8.0923 8.2942 8.2942 8.3736 8.3736 8.5114 8.5114 k = 0.5000 0.2887 0.4377 ( 13144 PWs) bands (ev): 1.3334 1.3334 1.6526 1.6526 2.3487 2.3487 2.9390 2.9390 2.9633 2.9633 3.0252 3.0252 4.1762 4.1762 4.6570 4.6570 5.1713 5.1713 5.2343 5.2343 5.5704 5.5704 5.8276 5.8276 6.0912 6.0912 6.1985 6.1985 6.3215 6.3215 6.6010 6.6010 6.6407 6.6407 6.6579 6.6579 6.6782 6.6782 6.8451 6.8451 6.9039 6.9039 7.1252 7.1252 7.1996 7.1996 7.2999 7.2999 7.3954 7.3954 7.4750 7.4750 7.5875 7.5875 7.8800 7.8800 7.9395 7.9395 7.9604 7.9604 7.9788 7.9788 8.1230 8.1230 8.2701 8.2701 8.3541 8.3541 8.4692 8.4692 k = 0.5000 0.2887 0.4119 ( 13154 PWs) bands (ev): 1.2843 1.2843 1.6080 1.6080 2.3220 2.3220 3.0108 3.0108 3.0250 3.0250 3.0291 3.0291 4.1725 4.1725 4.6559 4.6559 5.1657 5.1657 5.2714 5.2714 5.5361 5.5361 5.8136 5.8136 6.0954 6.0954 6.1506 6.1506 6.3049 6.3049 6.6157 6.6157 6.6331 6.6331 6.6506 6.6506 6.6663 6.6663 6.8274 6.8274 6.9063 6.9063 7.0870 7.0870 7.2122 7.2122 7.2931 7.2931 7.4014 7.4014 7.4709 7.4709 7.5865 7.5865 7.8713 7.8713 7.8959 7.8959 7.9185 7.9185 7.9611 7.9611 8.1554 8.1554 8.2498 8.2498 8.3423 8.3423 8.4315 8.4315 k = 0.5000 0.2887 0.3862 ( 13166 PWs) bands (ev): 1.2379 1.2379 1.5657 1.5657 2.2961 2.2961 3.0253 3.0253 3.0562 3.0562 3.1144 3.1144 4.1735 4.1735 4.6591 4.6591 5.1576 5.1576 5.3040 5.3040 5.5010 5.5010 5.7989 5.7989 6.1005 6.1005 6.1023 6.1023 6.2874 6.2874 6.6255 6.6255 6.6278 6.6278 6.6443 6.6443 6.6557 6.6557 6.8053 6.8053 6.9121 6.9121 7.0537 7.0537 7.2247 7.2247 7.2874 7.2874 7.3976 7.3976 7.4749 7.4749 7.5803 7.5803 7.8504 7.8504 7.8587 7.8587 7.8768 7.8768 7.9449 7.9449 8.1868 8.1868 8.2334 8.2334 8.3369 8.3369 8.3988 8.3988 k = 0.5000 0.2887 0.3604 ( 13152 PWs) bands (ev): 1.1942 1.1942 1.5256 1.5256 2.2712 2.2712 3.0204 3.0204 3.0982 3.0982 3.2017 3.2017 4.1785 4.1785 4.6669 4.6669 5.1480 5.1480 5.3316 5.3316 5.4651 5.4651 5.7838 5.7838 6.0510 6.0510 6.1097 6.1097 6.2694 6.2694 6.6181 6.6181 6.6329 6.6329 6.6371 6.6371 6.6522 6.6522 6.7767 6.7767 6.9209 6.9209 7.0295 7.0295 7.2350 7.2350 7.2823 7.2823 7.3878 7.3878 7.4835 7.4835 7.5697 7.5697 7.8048 7.8048 7.8303 7.8303 7.8497 7.8497 7.9294 7.9294 8.2137 8.2137 8.2222 8.2222 8.3365 8.3365 8.3719 8.3719 k = 0.5000 0.2887 0.3347 ( 13148 PWs) bands (ev): 1.1533 1.1533 1.4879 1.4879 2.2477 2.2477 3.0128 3.0128 3.1366 3.1366 3.2886 3.2886 4.1867 4.1867 4.6794 4.6794 5.1380 5.1380 5.3538 5.3538 5.4284 5.4284 5.7685 5.7685 6.0017 6.0017 6.1180 6.1180 6.2513 6.2513 6.6103 6.6103 6.6223 6.6223 6.6341 6.6341 6.6592 6.6592 6.7413 6.7413 6.9325 6.9325 7.0158 7.0158 7.2428 7.2428 7.2773 7.2773 7.3752 7.3752 7.4937 7.4937 7.5553 7.5553 7.7606 7.7606 7.7908 7.7908 7.8338 7.8338 7.9146 7.9146 8.2095 8.2095 8.2409 8.2409 8.3399 8.3399 8.3524 8.3524 k = 0.5000 0.2887 0.3089 ( 13160 PWs) bands (ev): 1.1152 1.1152 1.4527 1.4527 2.2256 2.2256 3.0032 3.0032 3.1713 3.1713 3.3745 3.3745 4.1971 4.1971 4.6964 4.6964 5.1284 5.1284 5.3701 5.3701 5.3916 5.3916 5.7532 5.7532 5.9541 5.9541 6.1262 6.1262 6.2335 6.2335 6.6019 6.6019 6.6085 6.6085 6.6308 6.6308 6.6683 6.6683 6.7009 6.7009 6.9462 6.9462 7.0113 7.0113 7.2483 7.2483 7.2723 7.2723 7.3610 7.3610 7.5045 7.5045 7.5382 7.5382 7.7187 7.7187 7.7525 7.7525 7.8176 7.8176 7.9007 7.9007 8.2027 8.2027 8.2577 8.2577 8.3404 8.3404 8.3488 8.3488 k = 0.5000 0.2887 0.2832 ( 13166 PWs) bands (ev): 1.0800 1.0800 1.4200 1.4200 2.2049 2.2049 2.9921 2.9921 3.2021 3.2021 3.4592 3.4592 4.2088 4.2088 4.7179 4.7179 5.1200 5.1200 5.3515 5.3515 5.3838 5.3838 5.7380 5.7380 5.9089 5.9089 6.1337 6.1337 6.2162 6.2162 6.5912 6.5912 6.5958 6.5958 6.6271 6.6271 6.6550 6.6550 6.6800 6.6800 6.9615 6.9615 7.0139 7.0139 7.2518 7.2518 7.2669 7.2669 7.3453 7.3453 7.5152 7.5152 7.5200 7.5200 7.6798 7.6798 7.7166 7.7166 7.8010 7.8010 7.8875 7.8875 8.1984 8.1984 8.2646 8.2646 8.3424 8.3424 8.3584 8.3584 k = 0.5000 0.2887 0.2574 ( 13150 PWs) bands (ev): 1.0476 1.0476 1.3899 1.3899 2.1859 2.1859 2.9802 2.9802 3.2290 3.2290 3.5422 3.5422 4.2210 4.2210 4.7433 4.7433 5.1135 5.1135 5.3131 5.3131 5.3903 5.3903 5.7228 5.7228 5.8668 5.8668 6.1402 6.1402 6.1997 6.1997 6.5762 6.5762 6.5858 6.5858 6.6089 6.6089 6.6271 6.6271 6.6876 6.6876 6.9780 6.9780 7.0212 7.0212 7.2537 7.2537 7.2610 7.2610 7.3280 7.3280 7.4980 7.4980 7.5296 7.5296 7.6442 7.6442 7.6833 7.6833 7.7842 7.7842 7.8753 7.8753 8.1964 8.1964 8.2637 8.2637 8.3528 8.3528 8.3710 8.3710 k = 0.5000 0.2887 0.2317 ( 13140 PWs) bands (ev): 1.0182 1.0182 1.3625 1.3625 2.1684 2.1684 2.9680 2.9680 3.2523 3.2523 3.6229 3.6229 4.2330 4.2330 4.7721 4.7721 5.1092 5.1092 5.2740 5.2740 5.3924 5.3924 5.7076 5.7076 5.8284 5.8284 6.1457 6.1457 6.1843 6.1843 6.5519 6.5519 6.5721 6.5721 6.5793 6.5793 6.6239 6.6239 6.6947 6.6947 6.9952 6.9952 7.0312 7.0312 7.2528 7.2528 7.2568 7.2568 7.3091 7.3091 7.4771 7.4771 7.5439 7.5439 7.6121 7.6121 7.6529 7.6529 7.7676 7.7676 7.8638 7.8638 8.1964 8.1964 8.2604 8.2604 8.3661 8.3661 8.3856 8.3856 k = 0.5000 0.2887 0.2060 ( 13136 PWs) bands (ev): 0.9918 0.9918 1.3378 1.3378 2.1527 2.1527 2.9559 2.9559 3.2720 3.2720 3.7006 3.7006 4.2441 4.2441 4.8036 4.8036 5.1072 5.1072 5.2347 5.2347 5.3904 5.3904 5.6924 5.6924 5.7943 5.7943 6.1501 6.1501 6.1700 6.1700 6.5120 6.5120 6.5559 6.5559 6.5690 6.5690 6.6224 6.6224 6.7005 6.7005 7.0126 7.0126 7.0423 7.0423 7.2459 7.2459 7.2580 7.2580 7.2887 7.2887 7.4563 7.4563 7.5585 7.5585 7.5845 7.5845 7.6255 7.6255 7.7517 7.7517 7.8532 7.8532 8.1981 8.1981 8.2573 8.2573 8.3796 8.3796 8.4011 8.4011 k = 0.5000 0.2887 0.1802 ( 13142 PWs) bands (ev): 0.9684 0.9684 1.3159 1.3159 2.1388 2.1388 2.9444 2.9444 3.2885 3.2885 3.7746 3.7746 4.2540 4.2540 4.8370 4.8370 5.1075 5.1075 5.1957 5.1957 5.3846 5.3846 5.6770 5.6770 5.7653 5.7653 6.1529 6.1529 6.1579 6.1579 6.4705 6.4705 6.5433 6.5433 6.5601 6.5601 6.6220 6.6220 6.7048 6.7048 7.0300 7.0300 7.0529 7.0529 7.2374 7.2374 7.2605 7.2605 7.2681 7.2681 7.4365 7.4365 7.5535 7.5535 7.5808 7.5808 7.6012 7.6012 7.7369 7.7369 7.8432 7.8432 8.2011 8.2011 8.2554 8.2554 8.3923 8.3923 8.4161 8.4161 k = 0.5000 0.2887 0.1545 ( 13146 PWs) bands (ev): 0.9481 0.9481 1.2969 1.2969 2.1266 2.1266 2.9338 2.9338 3.3020 3.3020 3.8437 3.8437 4.2625 4.2625 4.8711 4.8711 5.1097 5.1097 5.1578 5.1578 5.3755 5.3755 5.6615 5.6615 5.7415 5.7415 6.1449 6.1449 6.1572 6.1572 6.4315 6.4315 6.5326 6.5326 6.5517 6.5517 6.6226 6.6226 6.7075 6.7075 7.0464 7.0464 7.0626 7.0626 7.2278 7.2278 7.2459 7.2459 7.2670 7.2670 7.4183 7.4183 7.5314 7.5314 7.5801 7.5801 7.5976 7.5976 7.7234 7.7234 7.8338 7.8338 8.2051 8.2051 8.2547 8.2547 8.4042 8.4042 8.4298 8.4298 k = 0.5000 0.2887 0.1287 ( 13142 PWs) bands (ev): 0.9308 0.9308 1.2807 1.2807 2.1163 2.1163 2.9243 2.9243 3.3129 3.3129 3.9069 3.9069 4.2694 4.2694 4.9050 4.9050 5.1134 5.1134 5.1217 5.1217 5.3640 5.3640 5.6462 5.6462 5.7230 5.7230 6.1352 6.1352 6.1594 6.1594 6.3963 6.3963 6.5234 6.5234 6.5440 6.5440 6.6244 6.6244 6.7088 6.7088 7.0598 7.0598 7.0728 7.0728 7.2163 7.2163 7.2270 7.2270 7.2744 7.2744 7.4021 7.4021 7.5107 7.5107 7.5622 7.5622 7.6154 7.6154 7.7117 7.7117 7.8249 7.8249 8.2095 8.2095 8.2549 8.2549 8.4148 8.4148 8.4418 8.4418 k = 0.5000 0.2887 0.1030 ( 13144 PWs) bands (ev): 0.9167 0.9167 1.2674 1.2674 2.1078 2.1078 2.9163 2.9163 3.3214 3.3214 3.9625 3.9625 4.2749 4.2749 4.9370 4.9370 5.0888 5.0888 5.1178 5.1178 5.3509 5.3509 5.6321 5.6321 5.7091 5.7091 6.1270 6.1270 6.1613 6.1613 6.3658 6.3658 6.5158 6.5158 6.5373 6.5373 6.6270 6.6270 6.7088 6.7088 7.0671 7.0671 7.0861 7.0861 7.2019 7.2019 7.2122 7.2122 7.2837 7.2837 7.3883 7.3883 7.4922 7.4922 7.5475 7.5475 7.6323 7.6323 7.7018 7.7018 7.8168 7.8168 8.2141 8.2141 8.2557 8.2557 8.4240 8.4240 8.4516 8.4516 k = 0.5000 0.2887 0.0772 ( 13144 PWs) bands (ev): 0.9057 0.9057 1.2570 1.2570 2.1012 2.1012 2.9099 2.9099 3.3277 3.3277 4.0089 4.0089 4.2789 4.2789 4.9653 4.9653 5.0606 5.0606 5.1222 5.1222 5.3375 5.3375 5.6200 5.6200 5.6991 5.6991 6.1205 6.1205 6.1629 6.1629 6.3409 6.3409 6.5099 6.5099 6.5318 6.5318 6.6301 6.6301 6.7080 6.7080 7.0704 7.0704 7.1008 7.1008 7.1872 7.1872 7.2001 7.2001 7.2939 7.2939 7.3774 7.3774 7.4762 7.4762 7.5360 7.5360 7.6474 7.6474 7.6939 7.6939 7.8095 7.8095 8.2183 8.2183 8.2567 8.2567 8.4315 8.4315 8.4591 8.4591 k = 0.5000 0.2887 0.0515 ( 13130 PWs) bands (ev): 0.8978 0.8978 1.2496 1.2496 2.0965 2.0965 2.9052 2.9052 3.3321 3.3321 4.0440 4.0440 4.2817 4.2817 4.9877 4.9877 5.0393 5.0393 5.1260 5.1260 5.3255 5.3255 5.6109 5.6109 5.6924 5.6924 6.1158 6.1158 6.1642 6.1642 6.3222 6.3222 6.5056 6.5056 6.5276 6.5276 6.6331 6.6331 6.7066 6.7066 7.0718 7.0718 7.1146 7.1146 7.1754 7.1754 7.1890 7.1890 7.3032 7.3032 7.3696 7.3696 7.4633 7.4633 7.5279 7.5279 7.6595 7.6595 7.6882 7.6882 7.8035 7.8035 8.2216 8.2216 8.2576 8.2576 8.4370 8.4370 8.4643 8.4643 k = 0.5000 0.2887 0.0257 ( 13120 PWs) bands (ev): 0.8930 0.8930 1.2451 1.2451 2.0936 2.0936 2.9024 2.9024 3.3346 3.3346 4.0660 4.0660 4.2833 4.2833 5.0009 5.0009 5.0272 5.0272 5.1285 5.1285 5.3170 5.3170 5.6052 5.6052 5.6885 5.6885 6.1130 6.1130 6.1651 6.1651 6.3107 6.3107 6.5030 6.5030 6.5251 6.5251 6.6353 6.6353 6.7055 6.7055 7.0723 7.0723 7.1257 7.1257 7.1678 7.1678 7.1798 7.1798 7.3100 7.3100 7.3649 7.3649 7.4547 7.4547 7.5229 7.5229 7.6674 7.6674 7.6848 7.6848 7.7995 7.7995 8.2238 8.2238 8.2583 8.2583 8.4404 8.4404 8.4674 8.4674 k = 0.5000 0.2887-0.0000 ( 13120 PWs) bands (ev): 0.8915 0.8915 1.2436 1.2436 2.0927 2.0927 2.9015 2.9015 3.3355 3.3355 4.0735 4.0735 4.2838 4.2838 5.0041 5.0041 5.0245 5.0245 5.1294 5.1294 5.3139 5.3139 5.6032 5.6032 5.6872 5.6872 6.1121 6.1121 6.1655 6.1655 6.3068 6.3068 6.5022 6.5022 6.5242 6.5242 6.6362 6.6362 6.7050 6.7050 7.0725 7.0725 7.1305 7.1305 7.1652 7.1652 7.1758 7.1758 7.3124 7.3124 7.3634 7.3634 7.4517 7.4517 7.5213 7.5213 7.6702 7.6702 7.6836 7.6836 7.7980 7.7980 8.2246 8.2246 8.2586 8.2586 8.4415 8.4415 8.4684 8.4684 k = 0.3333 0.5774-0.0000 ( 13104 PWs) bands (ev): 1.1377 1.1377 1.1400 1.1400 1.8059 1.8059 2.7748 2.7748 3.7933 3.7933 3.7984 3.7984 4.4276 4.4276 5.0377 5.0377 5.0671 5.0671 5.1560 5.1560 5.1610 5.1610 5.8511 5.8511 5.8532 5.8532 5.8653 5.8653 5.9354 5.9354 6.1104 6.1104 6.4664 6.4664 6.4775 6.4775 6.7003 6.7003 7.0758 7.0758 7.1094 7.1094 7.1393 7.1393 7.1702 7.1702 7.2155 7.2155 7.2292 7.2292 7.3472 7.3472 7.3907 7.3907 7.6005 7.6005 7.6152 7.6152 7.6736 7.6736 7.8396 7.8396 8.1622 8.1622 8.3674 8.3674 8.3753 8.3753 8.4088 8.4088 k = 0.3333 0.5774 0.0257 ( 13119 PWs) bands (ev): 1.1392 1.1392 1.1415 1.1415 1.8071 1.8071 2.7754 2.7754 3.7904 3.7904 3.7955 3.7955 4.4260 4.4260 5.0344 5.0344 5.0631 5.0631 5.1583 5.1583 5.1641 5.1641 5.8552 5.8552 5.8574 5.8574 5.8666 5.8666 5.9226 5.9226 6.1243 6.1243 6.4676 6.4676 6.4788 6.4788 6.7010 6.7010 7.0759 7.0759 7.1035 7.1035 7.1317 7.1317 7.1706 7.1706 7.2204 7.2204 7.2355 7.2355 7.3492 7.3492 7.3924 7.3924 7.6020 7.6020 7.6167 7.6167 7.6747 7.6747 7.8379 7.8379 8.1620 8.1620 8.3650 8.3650 8.3732 8.3732 8.4080 8.4080 k = 0.3333 0.5774 0.0515 ( 13134 PWs) bands (ev): 1.1438 1.1438 1.1460 1.1460 1.8107 1.8107 2.7771 2.7771 3.7819 3.7819 3.7869 3.7869 4.4212 4.4212 5.0252 5.0252 5.0522 5.0522 5.1651 5.1651 5.1725 5.1725 5.8671 5.8671 5.8693 5.8693 5.8705 5.8705 5.8922 5.8922 6.1579 6.1579 6.4714 6.4714 6.4829 6.4829 6.7030 6.7030 7.0760 7.0760 7.0883 7.0883 7.1136 7.1136 7.1709 7.1709 7.2328 7.2328 7.2505 7.2505 7.3553 7.3553 7.3977 7.3977 7.6066 7.6066 7.6213 7.6213 7.6779 7.6779 7.8329 7.8329 8.1615 8.1615 8.3581 8.3581 8.3670 8.3670 8.4058 8.4058 k = 0.3333 0.5774 0.0772 ( 13116 PWs) bands (ev): 1.1513 1.1513 1.1536 1.1536 1.8168 1.8168 2.7800 2.7800 3.7677 3.7677 3.7726 3.7726 4.4134 4.4134 5.0117 5.0117 5.0369 5.0369 5.1756 5.1756 5.1849 5.1849 5.8525 5.8525 5.8775 5.8775 5.8860 5.8860 5.8895 5.8895 6.2008 6.2008 6.4777 6.4777 6.4895 6.4895 6.7063 6.7063 7.0677 7.0677 7.0747 7.0747 7.0919 7.0919 7.1705 7.1705 7.2488 7.2488 7.2695 7.2695 7.3654 7.3654 7.4063 7.4063 7.6142 7.6142 7.6289 7.6289 7.6833 7.6833 7.8250 7.8250 8.1607 8.1607 8.3470 8.3470 8.3569 8.3569 8.4023 8.4023 k = 0.3333 0.5774 0.1030 ( 13134 PWs) bands (ev): 1.1619 1.1619 1.1642 1.1642 1.8253 1.8253 2.7839 2.7839 3.7476 3.7476 3.7523 3.7523 4.4026 4.4026 4.9956 4.9956 5.0192 5.0192 5.1893 5.1893 5.2003 5.2003 5.8115 5.8115 5.8863 5.8863 5.9104 5.9104 5.9147 5.9147 6.2479 6.2479 6.4863 6.4863 6.4987 6.4987 6.7111 6.7111 7.0440 7.0440 7.0595 7.0595 7.0814 7.0814 7.1695 7.1695 7.2662 7.2662 7.2898 7.2898 7.3792 7.3792 7.4181 7.4181 7.6249 7.6249 7.6396 7.6396 7.6908 7.6908 7.8145 7.8145 8.1597 8.1597 8.3323 8.3323 8.3433 8.3433 8.3977 8.3977 k = 0.3333 0.5774 0.1287 ( 13140 PWs) bands (ev): 1.1754 1.1754 1.1777 1.1777 1.8361 1.8361 2.7887 2.7887 3.7217 3.7217 3.7262 3.7262 4.3893 4.3893 4.9786 4.9786 5.0009 5.0009 5.2061 5.2061 5.2184 5.2184 5.7691 5.7691 5.8979 5.8979 5.9392 5.9392 5.9444 5.9444 6.2968 6.2968 6.4971 6.4971 6.5102 6.5102 6.7175 6.7175 7.0184 7.0184 7.0325 7.0325 7.0811 7.0811 7.1680 7.1680 7.2840 7.2840 7.3104 7.3104 7.3965 7.3965 7.4329 7.4329 7.6387 7.6387 7.6535 7.6535 7.7003 7.7003 7.8021 7.8021 8.1584 8.1584 8.3147 8.3147 8.3269 8.3269 8.3922 8.3922 k = 0.3333 0.5774 0.1545 ( 13146 PWs) bands (ev): 1.1919 1.1919 1.1943 1.1943 1.8492 1.8492 2.7943 2.7943 3.6898 3.6898 3.6942 3.6942 4.3737 4.3737 4.9621 4.9621 4.9834 4.9834 5.2255 5.2255 5.2390 5.2390 5.7263 5.7263 5.9120 5.9120 5.9708 5.9708 5.9771 5.9771 6.3461 6.3461 6.5098 6.5098 6.5237 6.5237 6.7258 6.7258 6.9918 6.9918 7.0033 7.0033 7.0817 7.0817 7.1658 7.1658 7.3016 7.3016 7.3309 7.3309 7.4167 7.4167 7.4505 7.4505 7.6558 7.6558 7.6704 7.6704 7.7119 7.7119 7.7885 7.7885 8.1571 8.1571 8.2950 8.2950 8.3083 8.3083 8.3861 8.3861 k = 0.3333 0.5774 0.1802 ( 13152 PWs) bands (ev): 1.2114 1.2114 1.2138 1.2138 1.8647 1.8647 2.8005 2.8005 3.6522 3.6522 3.6564 3.6564 4.3562 4.3562 4.9474 4.9474 4.9679 4.9679 5.2475 5.2475 5.2620 5.2620 5.6833 5.6833 5.9285 5.9285 6.0041 6.0041 6.0118 6.0118 6.3944 6.3944 6.5240 6.5240 6.5390 6.5390 6.7365 6.7365 6.9647 6.9647 6.9735 6.9735 7.0823 7.0823 7.1630 7.1630 7.3191 7.3191 7.3509 7.3509 7.4392 7.4392 7.4703 7.4703 7.6761 7.6762 7.6905 7.6905 7.7253 7.7253 7.7744 7.7744 8.1559 8.1559 8.2740 8.2740 8.2885 8.2885 8.3794 8.3794 k = 0.3333 0.5774 0.2060 ( 13164 PWs) bands (ev): 1.2337 1.2337 1.2362 1.2362 1.8824 1.8824 2.8072 2.8072 3.6090 3.6090 3.6130 3.6130 4.3374 4.3374 4.9353 4.9353 4.9552 4.9552 5.2717 5.2717 5.2872 5.2872 5.6400 5.6400 5.9474 5.9474 6.0380 6.0380 6.0472 6.0472 6.4403 6.4403 6.5396 6.5396 6.5556 6.5556 6.7505 6.7505 6.9377 6.9377 6.9437 6.9437 7.0826 7.0826 7.1592 7.1592 7.3365 7.3365 7.3703 7.3703 7.4632 7.4632 7.4918 7.4918 7.6998 7.6998 7.7138 7.7138 7.7405 7.7405 7.7606 7.7606 8.1547 8.1547 8.2526 8.2526 8.2681 8.2681 8.3726 8.3726 k = 0.3333 0.5774 0.2317 ( 13149 PWs) bands (ev): 1.2590 1.2590 1.2615 1.2615 1.9022 1.9022 2.8139 2.8139 3.5604 3.5604 3.5643 3.5643 4.3178 4.3178 4.9265 4.9265 4.9459 4.9459 5.2977 5.2977 5.3141 5.3141 5.5962 5.5962 5.9687 5.9687 6.0717 6.0717 6.0825 6.0825 6.4822 6.4822 6.5558 6.5558 6.5731 6.5731 6.7693 6.7693 6.9115 6.9115 6.9147 6.9147 7.0823 7.0823 7.1543 7.1543 7.3541 7.3541 7.3891 7.3891 7.4876 7.4876 7.5141 7.5141 7.7269 7.7269 7.7396 7.7396 7.7480 7.7480 7.7580 7.7580 8.1539 8.1539 8.2314 8.2314 8.2480 8.2480 8.3658 8.3658 k = 0.3333 0.5774 0.2574 ( 13143 PWs) bands (ev): 1.2871 1.2871 1.2896 1.2896 1.9242 1.9242 2.8204 2.8204 3.5069 3.5069 3.5106 3.5106 4.2979 4.2979 4.9214 4.9214 4.9404 4.9404 5.3251 5.3251 5.3424 5.3424 5.5517 5.5517 5.9923 5.9923 6.1046 6.1046 6.1171 6.1171 6.5183 6.5183 6.5724 6.5724 6.5909 6.5909 6.7940 6.7940 6.8868 6.8868 6.8875 6.8875 7.0813 7.0813 7.1483 7.1483 7.3718 7.3718 7.4075 7.4075 7.5115 7.5115 7.5363 7.5363 7.7357 7.7357 7.7571 7.7571 7.7695 7.7695 7.7772 7.7772 8.1535 8.1535 8.2113 8.2113 8.2288 8.2288 8.3597 8.3597 k = 0.3333 0.5774 0.2832 ( 13110 PWs) bands (ev): 1.3179 1.3179 1.3205 1.3205 1.9481 1.9481 2.8265 2.8265 3.4488 3.4488 3.4525 3.4525 4.2785 4.2785 4.9201 4.9201 4.9387 4.9387 5.3534 5.3534 5.3716 5.3716 5.5062 5.5062 6.0180 6.0180 6.1361 6.1361 6.1504 6.1504 6.5474 6.5474 6.5885 6.5885 6.6081 6.6081 6.8255 6.8255 6.8632 6.8632 6.8644 6.8644 7.0793 7.0793 7.1410 7.1410 7.3900 7.3900 7.4257 7.4257 7.5338 7.5338 7.5573 7.5573 7.7263 7.7263 7.7905 7.7905 7.7946 7.7946 7.8049 7.8049 8.1537 8.1537 8.1930 8.1930 8.2114 8.2114 8.3545 8.3545 k = 0.3333 0.5774 0.3089 ( 13128 PWs) bands (ev): 1.3516 1.3516 1.3542 1.3542 1.9740 1.9740 2.8315 2.8315 3.3868 3.3868 3.3905 3.3905 4.2602 4.2602 4.9227 4.9227 4.9410 4.9410 5.3819 5.3819 5.4009 5.4009 5.4595 5.4595 6.0458 6.0458 6.1658 6.1658 6.1819 6.1819 6.5696 6.5696 6.6038 6.6038 6.6240 6.6240 6.8416 6.8416 6.8452 6.8452 6.8653 6.8653 7.0762 7.0762 7.1322 7.1322 7.4088 7.4088 7.4440 7.4440 7.5534 7.5534 7.5756 7.5756 7.7190 7.7190 7.8163 7.8163 7.8268 7.8268 7.8402 7.8402 8.1545 8.1545 8.1771 8.1771 8.1964 8.1964 8.3508 8.3508 k = 0.3333 0.5774 0.3347 ( 13119 PWs) bands (ev): 1.3879 1.3879 1.3906 1.3906 2.0018 2.0018 2.8353 2.8353 3.3214 3.3214 3.3250 3.3250 4.2439 4.2439 4.9291 4.9291 4.9470 4.9470 5.4098 5.4098 5.4104 5.4104 5.4304 5.4304 6.0756 6.0756 6.1934 6.1934 6.2111 6.2111 6.5859 6.5859 6.6177 6.6177 6.6374 6.6374 6.8270 6.8270 6.8301 6.8301 6.9086 6.9086 7.0722 7.0722 7.1222 7.1222 7.4285 7.4285 7.4627 7.4627 7.5690 7.5690 7.5899 7.5899 7.7140 7.7140 7.8386 7.8386 7.8656 7.8656 7.8787 7.8787 8.1561 8.1561 8.1644 8.1644 8.1844 8.1844 8.3492 8.3492 k = 0.3333 0.5774 0.3604 ( 13125 PWs) bands (ev): 1.4269 1.4269 1.4297 1.4297 2.0313 2.0313 2.8372 2.8372 3.2530 3.2530 3.2566 3.2566 4.2301 4.2301 4.9391 4.9391 4.9567 4.9567 5.3605 5.3605 5.4363 5.4363 5.4573 5.4573 6.1073 6.1073 6.2187 6.2187 6.2378 6.2378 6.5981 6.5981 6.6299 6.6299 6.6480 6.6480 6.8183 6.8183 6.8196 6.8196 6.9542 6.9542 7.0679 7.0679 7.1116 7.1116 7.4492 7.4492 7.4821 7.4821 7.5791 7.5791 7.5989 7.5989 7.7112 7.7112 7.8618 7.8618 7.9067 7.9067 7.9198 7.9198 8.1550 8.1550 8.1584 8.1584 8.1758 8.1758 8.3502 8.3502 k = 0.3333 0.5774 0.3862 ( 13125 PWs) bands (ev): 1.4685 1.4685 1.4713 1.4713 2.0625 2.0625 2.8369 2.8369 3.1823 3.1823 3.1859 3.1859 4.2197 4.2197 4.9524 4.9524 4.9699 4.9699 5.3084 5.3084 5.4603 5.4603 5.4822 5.4822 6.1407 6.1407 6.2420 6.2420 6.2620 6.2620 6.6078 6.6078 6.6405 6.6405 6.6560 6.6560 6.8141 6.8141 6.8158 6.8158 6.9941 6.9941 7.0654 7.0654 7.1042 7.1042 7.4712 7.4712 7.5025 7.5025 7.5827 7.5827 7.6014 7.6014 7.7102 7.7102 7.8855 7.8855 7.9501 7.9501 7.9633 7.9633 8.1491 8.1491 8.1614 8.1614 8.1706 8.1706 8.3544 8.3544 k = 0.3333 0.5774 0.4119 ( 13131 PWs) bands (ev): 1.5127 1.5127 1.5156 1.5156 2.0951 2.0951 2.8339 2.8339 3.1096 3.1096 3.1132 3.1132 4.2133 4.2133 4.9690 4.9690 4.9862 4.9862 5.2543 5.2543 5.4808 5.4808 5.5036 5.5036 6.1758 6.1758 6.2635 6.2635 6.2839 6.2839 6.6164 6.6164 6.6500 6.6500 6.6624 6.6624 6.8131 6.8131 6.8189 6.8189 7.0122 7.0122 7.0620 7.0620 7.1172 7.1172 7.4944 7.4944 7.5244 7.5244 7.5789 7.5789 7.5964 7.5964 7.7107 7.7107 7.9097 7.9097 7.9954 7.9954 8.0091 8.0091 8.1457 8.1457 8.1645 8.1645 8.1685 8.1685 8.3624 8.3624 k = 0.3333 0.5774 0.4377 ( 13140 PWs) bands (ev): 1.5594 1.5594 1.5623 1.5623 2.1292 2.1292 2.8279 2.8279 3.0355 3.0355 3.0392 3.0392 4.2116 4.2116 4.9885 4.9885 5.0056 5.0056 5.1982 5.1982 5.4969 5.4969 5.5204 5.5204 6.2123 6.2123 6.2840 6.2840 6.3043 6.3043 6.6248 6.6248 6.6585 6.6585 6.6683 6.6683 6.8165 6.8165 6.8263 6.8263 7.0080 7.0080 7.0493 7.0493 7.1585 7.1585 7.5187 7.5187 7.5479 7.5479 7.5680 7.5680 7.5839 7.5839 7.7121 7.7121 7.9341 7.9341 8.0428 8.0428 8.0569 8.0569 8.1436 8.1436 8.1654 8.1654 8.1705 8.1705 8.3746 8.3746 k = 0.3333 0.5774 0.4634 ( 13134 PWs) bands (ev): 1.6084 1.6084 1.6114 1.6114 2.1646 2.1646 2.8185 2.8185 2.9604 2.9604 2.9640 2.9640 4.2149 4.2149 5.0107 5.0107 5.0276 5.0276 5.1403 5.1403 5.5076 5.5076 5.5317 5.5317 6.2503 6.2503 6.3043 6.3043 6.3240 6.3240 6.6339 6.6339 6.6661 6.6661 6.6743 6.6743 6.8238 6.8238 6.8371 6.8371 6.9937 6.9937 7.0317 7.0317 7.2102 7.2102 7.5367 7.5367 7.5575 7.5575 7.5638 7.5638 7.5733 7.5733 7.7140 7.7140 7.9585 7.9585 8.0914 8.0914 8.1056 8.1056 8.1416 8.1416 8.1649 8.1649 8.1747 8.1747 8.3917 8.3917 k = 0.3333 0.5774 0.4891 ( 13146 PWs) bands (ev): 1.6599 1.6599 1.6629 1.6629 2.2011 2.2011 2.8056 2.8056 2.8846 2.8846 2.8883 2.8883 4.2236 4.2236 5.0353 5.0353 5.0522 5.0522 5.0809 5.0809 5.5123 5.5123 5.5367 5.5367 6.2894 6.2894 6.3254 6.3254 6.3443 6.3443 6.6439 6.6439 6.6720 6.6720 6.6800 6.6800 6.8353 6.8353 6.8510 6.8510 6.9741 6.9741 7.0120 7.0120 7.2643 7.2643 7.5181 7.5181 7.5372 7.5372 7.5786 7.5786 7.6006 7.6006 7.7159 7.7159 7.9827 7.9827 8.1262 8.1262 8.1427 8.1427 8.1525 8.1525 8.1728 8.1728 8.1813 8.1813 8.4140 8.4140 k = 0.3333 0.5774 0.5149 ( 13125 PWs) bands (ev): 1.7136 1.7136 1.7167 1.7167 2.2385 2.2385 2.7888 2.7888 2.8084 2.8084 2.8125 2.8125 4.2381 4.2381 5.0201 5.0201 5.0622 5.0622 5.0791 5.0791 5.5107 5.5107 5.5351 5.5351 6.3295 6.3295 6.3479 6.3479 6.3660 6.3660 6.6554 6.6554 6.6755 6.6755 6.6843 6.6843 6.8511 6.8511 6.8684 6.8684 6.9502 6.9502 6.9911 6.9911 7.3181 7.3181 7.4867 7.4867 7.5048 7.5048 7.6082 7.6082 7.6298 7.6298 7.7172 7.7172 8.0065 8.0065 8.1205 8.1205 8.1419 8.1419 8.1815 8.1815 8.2015 8.2015 8.2222 8.2222 8.4419 8.4419 k = 0.3333 0.5774 0.5406 ( 13128 PWs) bands (ev): 1.7695 1.7695 1.7727 1.7727 2.2768 2.2768 2.7322 2.7322 2.7354 2.7354 2.7696 2.7696 4.2582 4.2582 4.9585 4.9585 5.0910 5.0910 5.1079 5.1079 5.5028 5.5028 5.5269 5.5269 6.3703 6.3703 6.3724 6.3724 6.3900 6.3900 6.6683 6.6683 6.6754 6.6754 6.6859 6.6859 6.8718 6.8718 6.8896 6.8896 6.9229 6.9229 6.9694 6.9694 7.3703 7.3703 7.4498 7.4498 7.4677 7.4677 7.6401 7.6401 7.6608 7.6608 7.7175 7.7175 8.0296 8.0296 8.1056 8.1056 8.1286 8.1286 8.1848 8.1848 8.2559 8.2559 8.2765 8.2765 8.4758 8.4758 k = 0.3333 0.5774 0.5664 ( 13128 PWs) bands (ev): 1.8276 1.8276 1.8308 1.8308 2.3158 2.3158 2.6562 2.6562 2.6596 2.6596 2.7461 2.7461 4.2839 4.2839 4.8964 4.8964 5.1215 5.1215 5.1386 5.1386 5.4890 5.4890 5.5127 5.5127 6.3988 6.3988 6.4103 6.4103 6.4175 6.4175 6.6714 6.6714 6.6828 6.6828 6.6838 6.6838 6.8922 6.8922 6.8973 6.8973 6.9151 6.9151 6.9472 6.9472 7.4088 7.4088 7.4159 7.4159 7.4308 7.4308 7.6736 7.6736 7.6925 7.6925 7.7170 7.7170 8.0518 8.0518 8.0854 8.0854 8.1092 8.1092 8.1867 8.1867 8.3115 8.3115 8.3327 8.3327 8.5158 8.5158 k = 0.3333 0.5774 0.5921 ( 13131 PWs) bands (ev): 1.8878 1.8878 1.8910 1.8910 2.3552 2.3552 2.5806 2.5806 2.5841 2.5841 2.7195 2.7195 4.3150 4.3150 4.8342 4.8342 5.1534 5.1534 5.1707 5.1707 5.4700 5.4700 5.4930 5.4930 6.4269 6.4269 6.4421 6.4421 6.4557 6.4557 6.6632 6.6632 6.6772 6.6772 6.6991 6.6991 6.8594 6.8594 6.9221 6.9221 6.9273 6.9273 6.9468 6.9468 7.3647 7.3647 7.3814 7.3814 7.4679 7.4679 7.7082 7.7082 7.7085 7.7085 7.7319 7.7319 8.0605 8.0605 8.0721 8.0721 8.0857 8.0857 8.1870 8.1870 8.3673 8.3673 8.3890 8.3890 8.5620 8.5620 k = 0.3333 0.5774 0.6179 ( 13149 PWs) bands (ev): 1.9499 1.9499 1.9532 1.9532 2.3949 2.3949 2.5057 2.5057 2.5092 2.5092 2.6901 2.6901 4.3512 4.3512 4.7724 4.7724 5.1866 5.1866 5.2041 5.2041 5.4465 5.4465 5.4688 5.4688 6.4560 6.4560 6.4716 6.4716 6.4978 6.4978 6.6511 6.6511 6.6665 6.6665 6.7169 6.7169 6.8244 6.8244 6.8989 6.8989 6.9614 6.9614 6.9801 6.9801 7.3185 7.3185 7.3356 7.3356 7.5106 7.5106 7.7027 7.7027 7.7445 7.7445 7.7663 7.7663 8.0318 8.0318 8.0555 8.0555 8.0937 8.0937 8.1854 8.1854 8.4222 8.4222 8.4446 8.4446 8.6138 8.6138 k = 0.3333 0.5774 0.6436 ( 13152 PWs) bands (ev): 2.0139 2.0139 2.0172 2.0172 2.4316 2.4316 2.4346 2.4346 2.4352 2.4352 2.6582 2.6582 4.3922 4.3922 4.7115 4.7115 5.2205 5.2205 5.2384 5.2384 5.4193 5.4193 5.4409 5.4409 6.4855 6.4855 6.5013 6.5013 6.5402 6.5402 6.6353 6.6353 6.6518 6.6518 6.7359 6.7359 6.7878 6.7878 6.8748 6.8748 6.9991 6.9991 7.0176 7.0176 7.2711 7.2711 7.2884 7.2884 7.5495 7.5495 7.6929 7.6929 7.7813 7.7813 7.8030 7.8030 8.0000 8.0000 8.0238 8.0238 8.1120 8.1120 8.1817 8.1817 8.4753 8.4753 8.4982 8.4982 8.6684 8.6684 k = 0.3333 0.5774 0.6694 ( 13143 PWs) bands (ev): 2.0797 2.0797 2.0831 2.0831 2.3586 2.3586 2.3621 2.3621 2.4740 2.4740 2.6242 2.6242 4.4374 4.4374 4.6519 4.6519 5.2550 5.2550 5.2733 5.2733 5.3894 5.3894 5.4101 5.4101 6.5147 6.5147 6.5307 6.5307 6.5823 6.5823 6.6162 6.6162 6.6337 6.6337 6.7447 6.7447 6.7613 6.7613 6.8506 6.8506 7.0399 7.0399 7.0582 7.0582 7.2232 7.2232 7.2407 7.2407 7.5841 7.5841 7.6794 7.6794 7.8187 7.8187 7.8406 7.8406 7.9660 7.9660 7.9896 7.9896 8.1289 8.1289 8.1757 8.1757 8.5254 8.5254 8.5488 8.5488 8.6725 8.6725 k = 0.3333 0.5774 0.6951 ( 13149 PWs) bands (ev): 2.1472 2.1472 2.1506 2.1506 2.2868 2.2868 2.2902 2.2902 2.5131 2.5131 2.5885 2.5885 4.4865 4.4865 4.5943 4.5943 5.2896 5.2896 5.3084 5.3084 5.3573 5.3573 5.3774 5.3774 6.5429 6.5429 6.5591 6.5591 6.5941 6.5941 6.6083 6.6083 6.6281 6.6281 6.7079 6.7079 6.7803 6.7803 6.8265 6.8265 7.0832 7.0832 7.1014 7.1014 7.1755 7.1755 7.1932 7.1932 7.6144 7.6144 7.6619 7.6619 7.8562 7.8562 7.8785 7.8785 7.9303 7.9303 7.9535 7.9535 8.1438 8.1438 8.1674 8.1674 8.5713 8.5713 8.5952 8.5952 8.6459 8.6459 k = 0.3333 0.5774 0.7208 ( 13122 PWs) bands (ev): 2.2162 2.2162 2.2162 2.2162 2.2197 2.2197 2.2197 2.2197 2.5513 2.5513 2.5513 2.5513 4.5389 4.5389 4.5389 4.5389 5.3239 5.3239 5.3239 5.3239 5.3433 5.3433 5.3433 5.3433 6.5696 6.5696 6.5696 6.5696 6.5858 6.5858 6.5858 6.5858 6.6675 6.6675 6.6675 6.6675 6.8030 6.8030 6.8030 6.8030 7.1286 7.1286 7.1286 7.1286 7.1465 7.1465 7.1466 7.1466 7.6403 7.6403 7.6403 7.6403 7.8936 7.8936 7.8936 7.8936 7.9163 7.9163 7.9163 7.9163 8.1567 8.1567 8.1567 8.1567 8.6118 8.6118 8.6119 8.6119 8.6360 8.6360 Writing output data file Zr5Al3.save init_run : 0.28s CPU 0.38s WALL ( 1 calls) electrons : 924.37s CPU 930.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 924.36s CPU 930.50s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.30s WALL ( 217 calls) cegterg : 837.56s CPU 842.56s WALL ( 815 calls) Called by sum_band: Called by *egterg: h_psi : 558.70s CPU 562.24s WALL ( 15578 calls) s_psi : 49.64s CPU 49.48s WALL ( 15578 calls) g_psi : 1.74s CPU 1.69s WALL ( 14546 calls) cdiaghg : 170.61s CPU 172.30s WALL ( 14763 calls) cegterg:over : 44.53s CPU 44.46s WALL ( 14546 calls) cegterg:upda : 46.75s CPU 47.24s WALL ( 14546 calls) cegterg:last : 22.91s CPU 22.98s WALL ( 2110 calls) cdiaghg:chol : 9.97s CPU 10.02s WALL ( 14763 calls) cdiaghg:inve : 7.05s CPU 7.15s WALL ( 14763 calls) cdiaghg:para : 12.16s CPU 12.10s WALL ( 29526 calls) Called by h_psi: h_psi:vloc : 439.03s CPU 442.25s WALL ( 15578 calls) h_psi:vnl : 117.54s CPU 117.80s WALL ( 15578 calls) add_vuspsi : 61.00s CPU 61.34s WALL ( 15578 calls) General routines calbec : 56.45s CPU 56.41s WALL ( 15578 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 414.27s CPU 417.74s WALL ( 1810744 calls) davcio : 0.28s CPU 0.64s WALL ( 434 calls) Parallel routines fft_scatter : 120.07s CPU 122.41s WALL ( 1810759 calls) PWSCF : 15m54.09s CPU 16m16.29s WALL This run was terminated on: 19:34: 7 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=