Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 5:50:26 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr5Al3C.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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 46 12 3109 1476 216 Max 76 47 13 3114 1499 221 Sum 5437 3319 925 223981 107131 15805 bravais-lattice index = 14 lattice parameter (alat) = 15.5335 a.u. unit-cell volume = 2242.9475 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.533548 celldm(2)= 1.000000 celldm(3)= 0.690998 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 0.690998 ) 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 1.447183 ) 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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 ) ( 0.3454988 ) 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 0.0258426), wk = 0.0046083 k( 68) = ( 0.0000000 0.0000000 0.0516851), wk = 0.0046083 k( 69) = ( 0.0000000 0.0000000 0.0775277), wk = 0.0046083 k( 70) = ( 0.0000000 0.0000000 0.1033702), wk = 0.0046083 k( 71) = ( 0.0000000 0.0000000 0.1292128), wk = 0.0046083 k( 72) = ( 0.0000000 0.0000000 0.1550553), wk = 0.0046083 k( 73) = ( 0.0000000 0.0000000 0.1808979), wk = 0.0046083 k( 74) = ( 0.0000000 0.0000000 0.2067404), wk = 0.0046083 k( 75) = ( 0.0000000 0.0000000 0.2325830), wk = 0.0046083 k( 76) = ( 0.0000000 0.0000000 0.2584256), wk = 0.0046083 k( 77) = ( 0.0000000 0.0000000 0.2842681), wk = 0.0046083 k( 78) = ( 0.0000000 0.0000000 0.3101107), wk = 0.0046083 k( 79) = ( 0.0000000 0.0000000 0.3359532), wk = 0.0046083 k( 80) = ( 0.0000000 0.0000000 0.3617958), wk = 0.0046083 k( 81) = ( 0.0000000 0.0000000 0.3876383), wk = 0.0046083 k( 82) = ( 0.0000000 0.0000000 0.4134809), wk = 0.0046083 k( 83) = ( 0.0000000 0.0000000 0.4393234), wk = 0.0046083 k( 84) = ( 0.0000000 0.0000000 0.4651660), wk = 0.0046083 k( 85) = ( 0.0000000 0.0000000 0.4910085), wk = 0.0046083 k( 86) = ( 0.0000000 0.0000000 0.5168511), wk = 0.0046083 k( 87) = ( 0.0000000 0.0000000 0.5426937), wk = 0.0046083 k( 88) = ( 0.0000000 0.0000000 0.5685362), wk = 0.0046083 k( 89) = ( 0.0000000 0.0000000 0.5943788), wk = 0.0046083 k( 90) = ( 0.0000000 0.0000000 0.6202213), wk = 0.0046083 k( 91) = ( 0.0000000 0.0000000 0.6460639), wk = 0.0046083 k( 92) = ( 0.0000000 0.0000000 0.6719064), wk = 0.0046083 k( 93) = ( 0.0000000 0.0000000 0.6977490), wk = 0.0046083 k( 94) = ( 0.0000000 0.0000000 0.7235915), wk = 0.0046083 k( 95) = ( 0.0000000 0.0000000 0.7235915), wk = 0.0046083 k( 96) = ( 0.0217391 0.0125511 0.7235915), wk = 0.0046083 k( 97) = ( 0.0434783 0.0251022 0.7235915), wk = 0.0046083 k( 98) = ( 0.0652174 0.0376533 0.7235915), wk = 0.0046083 k( 99) = ( 0.0869565 0.0502044 0.7235915), wk = 0.0046083 k( 100) = ( 0.1086957 0.0627555 0.7235915), wk = 0.0046083 k( 101) = ( 0.1304348 0.0753066 0.7235915), wk = 0.0046083 k( 102) = ( 0.1521739 0.0878576 0.7235915), wk = 0.0046083 k( 103) = ( 0.1739130 0.1004087 0.7235915), wk = 0.0046083 k( 104) = ( 0.1956522 0.1129598 0.7235915), wk = 0.0046083 k( 105) = ( 0.2173913 0.1255109 0.7235915), wk = 0.0046083 k( 106) = ( 0.2391304 0.1380620 0.7235915), wk = 0.0046083 k( 107) = ( 0.2608696 0.1506131 0.7235915), wk = 0.0046083 k( 108) = ( 0.2826087 0.1631642 0.7235915), wk = 0.0046083 k( 109) = ( 0.3043478 0.1757153 0.7235915), wk = 0.0046083 k( 110) = ( 0.3260870 0.1882664 0.7235915), wk = 0.0046083 k( 111) = ( 0.3478261 0.2008175 0.7235915), wk = 0.0046083 k( 112) = ( 0.3695652 0.2133686 0.7235915), wk = 0.0046083 k( 113) = ( 0.3913044 0.2259197 0.7235915), wk = 0.0046083 k( 114) = ( 0.4130435 0.2384708 0.7235915), wk = 0.0046083 k( 115) = ( 0.4347826 0.2510219 0.7235915), wk = 0.0046083 k( 116) = ( 0.4565217 0.2635729 0.7235915), wk = 0.0046083 k( 117) = ( 0.4782609 0.2761240 0.7235915), wk = 0.0046083 k( 118) = ( 0.5000000 0.2886751 0.7235915), wk = 0.0046083 k( 119) = ( 0.5000000 0.2886751 0.7235915), wk = 0.0046083 k( 120) = ( 0.4871795 0.3108809 0.7235915), wk = 0.0046083 k( 121) = ( 0.4743590 0.3330867 0.7235915), wk = 0.0046083 k( 122) = ( 0.4615385 0.3552925 0.7235915), wk = 0.0046083 k( 123) = ( 0.4487179 0.3774983 0.7235915), wk = 0.0046083 k( 124) = ( 0.4358974 0.3997040 0.7235915), wk = 0.0046083 k( 125) = ( 0.4230769 0.4219098 0.7235915), wk = 0.0046083 k( 126) = ( 0.4102564 0.4441156 0.7235915), wk = 0.0046083 k( 127) = ( 0.3974359 0.4663214 0.7235915), wk = 0.0046083 k( 128) = ( 0.3846154 0.4885271 0.7235915), wk = 0.0046083 k( 129) = ( 0.3717949 0.5107329 0.7235915), wk = 0.0046083 k( 130) = ( 0.3589744 0.5329387 0.7235915), wk = 0.0046083 k( 131) = ( 0.3461538 0.5551445 0.7235915), wk = 0.0046083 k( 132) = ( 0.3333333 0.5773503 0.7235915), wk = 0.0046083 k( 133) = ( 0.3333333 0.5773503 0.7235915), wk = 0.0046083 k( 134) = ( 0.3205128 0.5551445 0.7235915), wk = 0.0046083 k( 135) = ( 0.3076923 0.5329387 0.7235915), wk = 0.0046083 k( 136) = ( 0.2948718 0.5107329 0.7235915), wk = 0.0046083 k( 137) = ( 0.2820513 0.4885271 0.7235915), wk = 0.0046083 k( 138) = ( 0.2692308 0.4663214 0.7235915), wk = 0.0046083 k( 139) = ( 0.2564103 0.4441156 0.7235915), wk = 0.0046083 k( 140) = ( 0.2435897 0.4219098 0.7235915), wk = 0.0046083 k( 141) = ( 0.2307692 0.3997040 0.7235915), wk = 0.0046083 k( 142) = ( 0.2179487 0.3774983 0.7235915), wk = 0.0046083 k( 143) = ( 0.2051282 0.3552925 0.7235915), wk = 0.0046083 k( 144) = ( 0.1923077 0.3330867 0.7235915), wk = 0.0046083 k( 145) = ( 0.1794872 0.3108809 0.7235915), wk = 0.0046083 k( 146) = ( 0.1666667 0.2886751 0.7235915), wk = 0.0046083 k( 147) = ( 0.1538461 0.2664693 0.7235915), wk = 0.0046083 k( 148) = ( 0.1410256 0.2442636 0.7235915), wk = 0.0046083 k( 149) = ( 0.1282051 0.2220578 0.7235915), wk = 0.0046083 k( 150) = ( 0.1153846 0.1998520 0.7235915), wk = 0.0046083 k( 151) = ( 0.1025641 0.1776462 0.7235915), wk = 0.0046083 k( 152) = ( 0.0897436 0.1554405 0.7235915), wk = 0.0046083 k( 153) = ( 0.0769231 0.1332347 0.7235915), wk = 0.0046083 k( 154) = ( 0.0641026 0.1110289 0.7235915), wk = 0.0046083 k( 155) = ( 0.0512821 0.0888231 0.7235915), wk = 0.0046083 k( 156) = ( 0.0384615 0.0666173 0.7235915), wk = 0.0046083 k( 157) = ( 0.0256410 0.0444116 0.7235915), wk = 0.0046083 k( 158) = ( 0.0128205 0.0222058 0.7235915), wk = 0.0046083 k( 159) = ( 0.0000000 0.0000000 0.7235915), wk = 0.0046083 k( 160) = ( 0.5000000 0.2886751 0.7235915), wk = 0.0046083 k( 161) = ( 0.5000000 0.2886751 0.6977490), wk = 0.0046083 k( 162) = ( 0.5000000 0.2886751 0.6719064), wk = 0.0046083 k( 163) = ( 0.5000000 0.2886751 0.6460639), wk = 0.0046083 k( 164) = ( 0.5000000 0.2886751 0.6202213), wk = 0.0046083 k( 165) = ( 0.5000000 0.2886751 0.5943788), wk = 0.0046083 k( 166) = ( 0.5000000 0.2886751 0.5685362), wk = 0.0046083 k( 167) = ( 0.5000000 0.2886751 0.5426937), wk = 0.0046083 k( 168) = ( 0.5000000 0.2886751 0.5168511), wk = 0.0046083 k( 169) = ( 0.5000000 0.2886751 0.4910085), wk = 0.0046083 k( 170) = ( 0.5000000 0.2886751 0.4651660), wk = 0.0046083 k( 171) = ( 0.5000000 0.2886751 0.4393234), wk = 0.0046083 k( 172) = ( 0.5000000 0.2886751 0.4134809), wk = 0.0046083 k( 173) = ( 0.5000000 0.2886751 0.3876383), wk = 0.0046083 k( 174) = ( 0.5000000 0.2886751 0.3617958), wk = 0.0046083 k( 175) = ( 0.5000000 0.2886751 0.3359532), wk = 0.0046083 k( 176) = ( 0.5000000 0.2886751 0.3101107), wk = 0.0046083 k( 177) = ( 0.5000000 0.2886751 0.2842681), wk = 0.0046083 k( 178) = ( 0.5000000 0.2886751 0.2584256), wk = 0.0046083 k( 179) = ( 0.5000000 0.2886751 0.2325830), wk = 0.0046083 k( 180) = ( 0.5000000 0.2886751 0.2067404), wk = 0.0046083 k( 181) = ( 0.5000000 0.2886751 0.1808979), wk = 0.0046083 k( 182) = ( 0.5000000 0.2886751 0.1550553), wk = 0.0046083 k( 183) = ( 0.5000000 0.2886751 0.1292128), wk = 0.0046083 k( 184) = ( 0.5000000 0.2886751 0.1033702), wk = 0.0046083 k( 185) = ( 0.5000000 0.2886751 0.0775277), wk = 0.0046083 k( 186) = ( 0.5000000 0.2886751 0.0516851), wk = 0.0046083 k( 187) = ( 0.5000000 0.2886751 0.0258426), 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 0.0258426), wk = 0.0046083 k( 191) = ( 0.3333333 0.5773503 0.0516851), wk = 0.0046083 k( 192) = ( 0.3333333 0.5773503 0.0775277), wk = 0.0046083 k( 193) = ( 0.3333333 0.5773503 0.1033702), wk = 0.0046083 k( 194) = ( 0.3333333 0.5773503 0.1292128), wk = 0.0046083 k( 195) = ( 0.3333333 0.5773503 0.1550553), wk = 0.0046083 k( 196) = ( 0.3333333 0.5773503 0.1808979), wk = 0.0046083 k( 197) = ( 0.3333333 0.5773503 0.2067404), wk = 0.0046083 k( 198) = ( 0.3333333 0.5773503 0.2325830), wk = 0.0046083 k( 199) = ( 0.3333333 0.5773503 0.2584256), wk = 0.0046083 k( 200) = ( 0.3333333 0.5773503 0.2842681), wk = 0.0046083 k( 201) = ( 0.3333333 0.5773503 0.3101107), wk = 0.0046083 k( 202) = ( 0.3333333 0.5773503 0.3359532), wk = 0.0046083 k( 203) = ( 0.3333333 0.5773503 0.3617958), wk = 0.0046083 k( 204) = ( 0.3333333 0.5773503 0.3876383), wk = 0.0046083 k( 205) = ( 0.3333333 0.5773503 0.4134809), wk = 0.0046083 k( 206) = ( 0.3333333 0.5773503 0.4393234), wk = 0.0046083 k( 207) = ( 0.3333333 0.5773503 0.4651660), wk = 0.0046083 k( 208) = ( 0.3333333 0.5773503 0.4910085), wk = 0.0046083 k( 209) = ( 0.3333333 0.5773503 0.5168511), wk = 0.0046083 k( 210) = ( 0.3333333 0.5773503 0.5426937), wk = 0.0046083 k( 211) = ( 0.3333333 0.5773503 0.5685362), wk = 0.0046083 k( 212) = ( 0.3333333 0.5773503 0.5943788), wk = 0.0046083 k( 213) = ( 0.3333333 0.5773503 0.6202213), wk = 0.0046083 k( 214) = ( 0.3333333 0.5773503 0.6460639), wk = 0.0046083 k( 215) = ( 0.3333333 0.5773503 0.6719064), wk = 0.0046083 k( 216) = ( 0.3333333 0.5773503 0.6977490), wk = 0.0046083 k( 217) = ( 0.3333333 0.5773503 0.7235915), 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 0.0512821 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 0.1538462 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 0.0512821 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 0.1538462 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: 223981 G-vectors FFT dimensions: ( 90, 90, 64) Smooth grid: 107131 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 390, 80) NL pseudopotentials 1.17 Mb ( 195, 392) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 3114) G-vector shells 0.01 Mb ( 1515) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.90 Mb ( 390, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.96 Mb ( 392, 2, 80) The potential is recalculated from file : ./Zr5Al3C.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 10.7 secs Computing kpt #: 4 total cpu time spent up to now is 13.8 secs Computing kpt #: 5 total cpu time spent up to now is 17.0 secs Computing kpt #: 6 total cpu time spent up to now is 20.1 secs Computing kpt #: 7 total cpu time spent up to now is 23.1 secs Computing kpt #: 8 total cpu time spent up to now is 26.1 secs Computing kpt #: 9 total cpu time spent up to now is 29.1 secs Computing kpt #: 10 total cpu time spent up to now is 32.0 secs Computing kpt #: 11 total cpu time spent up to now is 35.0 secs Computing kpt #: 12 total cpu time spent up to now is 37.9 secs Computing kpt #: 13 total cpu time spent up to now is 40.8 secs Computing kpt #: 14 total cpu time spent up to now is 43.7 secs Computing kpt #: 15 total cpu time spent up to now is 46.6 secs Computing kpt #: 16 total cpu time spent up to now is 49.5 secs Computing kpt #: 17 total cpu time spent up to now is 52.4 secs Computing kpt #: 18 total cpu time spent up to now is 55.4 secs Computing kpt #: 19 total cpu time spent up to now is 58.3 secs Computing kpt #: 20 total cpu time spent up to now is 61.4 secs Computing kpt #: 21 total cpu time spent up to now is 64.3 secs Computing kpt #: 22 total cpu time spent up to now is 67.3 secs Computing kpt #: 23 total cpu time spent up to now is 70.2 secs Computing kpt #: 24 total cpu time spent up to now is 72.9 secs Computing kpt #: 25 total cpu time spent up to now is 75.7 secs Computing kpt #: 26 total cpu time spent up to now is 78.4 secs Computing kpt #: 27 total cpu time spent up to now is 81.1 secs Computing kpt #: 28 total cpu time spent up to now is 84.0 secs Computing kpt #: 29 total cpu time spent up to now is 87.3 secs Computing kpt #: 30 total cpu time spent up to now is 90.9 secs Computing kpt #: 31 total cpu time spent up to now is 94.8 secs Computing kpt #: 32 total cpu time spent up to now is 99.3 secs Computing kpt #: 33 total cpu time spent up to now is 103.2 secs Computing kpt #: 34 total cpu time spent up to now is 107.1 secs Computing kpt #: 35 total cpu time spent up to now is 110.7 secs Computing kpt #: 36 total cpu time spent up to now is 115.4 secs Computing kpt #: 37 total cpu time spent up to now is 119.0 secs Computing kpt #: 38 total cpu time spent up to now is 122.8 secs Computing kpt #: 39 total cpu time spent up to now is 126.6 secs Computing kpt #: 40 total cpu time spent up to now is 130.2 secs Computing kpt #: 41 total cpu time spent up to now is 133.6 secs Computing kpt #: 42 total cpu time spent up to now is 137.0 secs Computing kpt #: 43 total cpu time spent up to now is 140.0 secs Computing kpt #: 44 total cpu time spent up to now is 143.1 secs Computing kpt #: 45 total cpu time spent up to now is 146.1 secs Computing kpt #: 46 total cpu time spent up to now is 149.1 secs Computing kpt #: 47 total cpu time spent up to now is 152.3 secs Computing kpt #: 48 total cpu time spent up to now is 155.3 secs Computing kpt #: 49 total cpu time spent up to now is 158.2 secs Computing kpt #: 50 total cpu time spent up to now is 161.2 secs Computing kpt #: 51 total cpu time spent up to now is 164.2 secs Computing kpt #: 52 total cpu time spent up to now is 167.2 secs Computing kpt #: 53 total cpu time spent up to now is 170.1 secs Computing kpt #: 54 total cpu time spent up to now is 173.0 secs Computing kpt #: 55 total cpu time spent up to now is 176.0 secs Computing kpt #: 56 total cpu time spent up to now is 178.9 secs Computing kpt #: 57 total cpu time spent up to now is 181.8 secs Computing kpt #: 58 total cpu time spent up to now is 184.8 secs Computing kpt #: 59 total cpu time spent up to now is 187.8 secs Computing kpt #: 60 total cpu time spent up to now is 190.8 secs Computing kpt #: 61 total cpu time spent up to now is 193.8 secs Computing kpt #: 62 total cpu time spent up to now is 196.8 secs Computing kpt #: 63 total cpu time spent up to now is 199.8 secs Computing kpt #: 64 total cpu time spent up to now is 202.7 secs Computing kpt #: 65 total cpu time spent up to now is 205.4 secs Computing kpt #: 66 total cpu time spent up to now is 208.1 secs Computing kpt #: 67 total cpu time spent up to now is 210.8 secs Computing kpt #: 68 total cpu time spent up to now is 213.5 secs Computing kpt #: 69 total cpu time spent up to now is 216.4 secs Computing kpt #: 70 total cpu time spent up to now is 219.2 secs Computing kpt #: 71 total cpu time spent up to now is 222.1 secs Computing kpt #: 72 total cpu time spent up to now is 225.0 secs Computing kpt #: 73 total cpu time spent up to now is 227.9 secs Computing kpt #: 74 total cpu time spent up to now is 231.0 secs Computing kpt #: 75 total cpu time spent up to now is 234.0 secs Computing kpt #: 76 total cpu time spent up to now is 237.0 secs Computing kpt #: 77 total cpu time spent up to now is 240.3 secs Computing kpt #: 78 total cpu time spent up to now is 243.5 secs Computing kpt #: 79 total cpu time spent up to now is 246.9 secs Computing kpt #: 80 total cpu time spent up to now is 250.2 secs Computing kpt #: 81 total cpu time spent up to now is 253.6 secs Computing kpt #: 82 total cpu time spent up to now is 257.2 secs Computing kpt #: 83 total cpu time spent up to now is 261.3 secs Computing kpt #: 84 total cpu time spent up to now is 265.4 secs Computing kpt #: 85 total cpu time spent up to now is 269.6 secs Computing kpt #: 86 total cpu time spent up to now is 274.0 secs Computing kpt #: 87 total cpu time spent up to now is 278.5 secs Computing kpt #: 88 total cpu time spent up to now is 282.8 secs Computing kpt #: 89 total cpu time spent up to now is 286.8 secs Computing kpt #: 90 total cpu time spent up to now is 290.4 secs Computing kpt #: 91 total cpu time spent up to now is 294.0 secs Computing kpt #: 92 total cpu time spent up to now is 297.6 secs Computing kpt #: 93 total cpu time spent up to now is 301.9 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.4 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.0 secs Computing kpt #: 96 total cpu time spent up to now is 318.8 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.5 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 99 total cpu time spent up to now is 335.6 secs Computing kpt #: 100 total cpu time spent up to now is 340.8 secs Computing kpt #: 101 total cpu time spent up to now is 345.9 secs Computing kpt #: 102 total cpu time spent up to now is 350.0 secs Computing kpt #: 103 total cpu time spent up to now is 353.9 secs Computing kpt #: 104 total cpu time spent up to now is 357.7 secs Computing kpt #: 105 total cpu time spent up to now is 361.5 secs Computing kpt #: 106 total cpu time spent up to now is 365.2 secs Computing kpt #: 107 total cpu time spent up to now is 369.4 secs Computing kpt #: 108 total cpu time spent up to now is 374.4 secs Computing kpt #: 109 total cpu time spent up to now is 378.7 secs Computing kpt #: 110 total cpu time spent up to now is 383.3 secs Computing kpt #: 111 total cpu time spent up to now is 388.6 secs Computing kpt #: 112 total cpu time spent up to now is 393.5 secs Computing kpt #: 113 total cpu time spent up to now is 398.0 secs Computing kpt #: 114 total cpu time spent up to now is 402.3 secs Computing kpt #: 115 total cpu time spent up to now is 406.8 secs Computing kpt #: 116 total cpu time spent up to now is 411.6 secs Computing kpt #: 117 total cpu time spent up to now is 417.4 secs Computing kpt #: 118 total cpu time spent up to now is 422.8 secs Computing kpt #: 119 total cpu time spent up to now is 428.5 secs Computing kpt #: 120 total cpu time spent up to now is 434.0 secs Computing kpt #: 121 total cpu time spent up to now is 439.5 secs Computing kpt #: 122 total cpu time spent up to now is 444.7 secs Computing kpt #: 123 total cpu time spent up to now is 449.7 secs Computing kpt #: 124 total cpu time spent up to now is 454.6 secs Computing kpt #: 125 total cpu time spent up to now is 459.1 secs Computing kpt #: 126 total cpu time spent up to now is 463.4 secs Computing kpt #: 127 total cpu time spent up to now is 467.5 secs Computing kpt #: 128 total cpu time spent up to now is 471.4 secs Computing kpt #: 129 total cpu time spent up to now is 475.2 secs Computing kpt #: 130 total cpu time spent up to now is 478.9 secs Computing kpt #: 131 total cpu time spent up to now is 482.6 secs Computing kpt #: 132 total cpu time spent up to now is 486.3 secs Computing kpt #: 133 total cpu time spent up to now is 490.1 secs Computing kpt #: 134 total cpu time spent up to now is 493.8 secs Computing kpt #: 135 total cpu time spent up to now is 497.8 secs Computing kpt #: 136 total cpu time spent up to now is 501.8 secs Computing kpt #: 137 total cpu time spent up to now is 505.6 secs Computing kpt #: 138 total cpu time spent up to now is 509.3 secs Computing kpt #: 139 total cpu time spent up to now is 513.1 secs Computing kpt #: 140 total cpu time spent up to now is 517.6 secs Computing kpt #: 141 total cpu time spent up to now is 522.4 secs Computing kpt #: 142 total cpu time spent up to now is 527.3 secs Computing kpt #: 143 total cpu time spent up to now is 531.5 secs Computing kpt #: 144 total cpu time spent up to now is 535.2 secs Computing kpt #: 145 total cpu time spent up to now is 538.7 secs Computing kpt #: 146 total cpu time spent up to now is 542.0 secs Computing kpt #: 147 total cpu time spent up to now is 545.4 secs Computing kpt #: 148 total cpu time spent up to now is 548.8 secs Computing kpt #: 149 total cpu time spent up to now is 552.3 secs Computing kpt #: 150 total cpu time spent up to now is 556.0 secs Computing kpt #: 151 total cpu time spent up to now is 559.7 secs Computing kpt #: 152 total cpu time spent up to now is 563.4 secs Computing kpt #: 153 total cpu time spent up to now is 568.1 secs Computing kpt #: 154 total cpu time spent up to now is 573.0 secs Computing kpt #: 155 total cpu time spent up to now is 578.3 secs Computing kpt #: 156 total cpu time spent up to now is 583.9 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.5 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 595.1 secs Computing kpt #: 159 total cpu time spent up to now is 600.6 secs Computing kpt #: 160 total cpu time spent up to now is 606.4 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.2 secs Computing kpt #: 162 total cpu time spent up to now is 616.8 secs Computing kpt #: 163 total cpu time spent up to now is 621.1 secs Computing kpt #: 164 total cpu time spent up to now is 624.8 secs Computing kpt #: 165 total cpu time spent up to now is 628.6 secs Computing kpt #: 166 total cpu time spent up to now is 632.3 secs Computing kpt #: 167 total cpu time spent up to now is 635.8 secs Computing kpt #: 168 total cpu time spent up to now is 639.4 secs Computing kpt #: 169 total cpu time spent up to now is 643.0 secs Computing kpt #: 170 total cpu time spent up to now is 646.8 secs Computing kpt #: 171 total cpu time spent up to now is 650.4 secs Computing kpt #: 172 total cpu time spent up to now is 653.8 secs Computing kpt #: 173 total cpu time spent up to now is 657.1 secs Computing kpt #: 174 total cpu time spent up to now is 660.2 secs Computing kpt #: 175 total cpu time spent up to now is 663.3 secs Computing kpt #: 176 total cpu time spent up to now is 666.3 secs Computing kpt #: 177 total cpu time spent up to now is 669.2 secs Computing kpt #: 178 total cpu time spent up to now is 672.7 secs Computing kpt #: 179 total cpu time spent up to now is 675.6 secs Computing kpt #: 180 total cpu time spent up to now is 678.5 secs Computing kpt #: 181 total cpu time spent up to now is 681.3 secs Computing kpt #: 182 total cpu time spent up to now is 684.2 secs Computing kpt #: 183 total cpu time spent up to now is 687.3 secs Computing kpt #: 184 total cpu time spent up to now is 690.2 secs Computing kpt #: 185 total cpu time spent up to now is 693.1 secs Computing kpt #: 186 total cpu time spent up to now is 695.9 secs Computing kpt #: 187 total cpu time spent up to now is 698.7 secs Computing kpt #: 188 total cpu time spent up to now is 701.4 secs Computing kpt #: 189 total cpu time spent up to now is 705.1 secs Computing kpt #: 190 total cpu time spent up to now is 708.6 secs Computing kpt #: 191 total cpu time spent up to now is 712.2 secs Computing kpt #: 192 total cpu time spent up to now is 715.6 secs Computing kpt #: 193 total cpu time spent up to now is 719.2 secs Computing kpt #: 194 total cpu time spent up to now is 722.9 secs Computing kpt #: 195 total cpu time spent up to now is 726.3 secs Computing kpt #: 196 total cpu time spent up to now is 729.9 secs Computing kpt #: 197 total cpu time spent up to now is 733.8 secs Computing kpt #: 198 total cpu time spent up to now is 738.2 secs Computing kpt #: 199 total cpu time spent up to now is 741.7 secs Computing kpt #: 200 total cpu time spent up to now is 745.2 secs Computing kpt #: 201 total cpu time spent up to now is 749.1 secs Computing kpt #: 202 total cpu time spent up to now is 752.7 secs Computing kpt #: 203 total cpu time spent up to now is 756.4 secs Computing kpt #: 204 total cpu time spent up to now is 759.9 secs Computing kpt #: 205 total cpu time spent up to now is 763.5 secs Computing kpt #: 206 total cpu time spent up to now is 767.6 secs Computing kpt #: 207 total cpu time spent up to now is 771.7 secs Computing kpt #: 208 total cpu time spent up to now is 775.7 secs Computing kpt #: 209 total cpu time spent up to now is 779.7 secs Computing kpt #: 210 total cpu time spent up to now is 783.6 secs Computing kpt #: 211 total cpu time spent up to now is 787.5 secs Computing kpt #: 212 total cpu time spent up to now is 791.2 secs Computing kpt #: 213 total cpu time spent up to now is 795.0 secs Computing kpt #: 214 total cpu time spent up to now is 799.2 secs Computing kpt #: 215 total cpu time spent up to now is 804.6 secs Computing kpt #: 216 total cpu time spent up to now is 809.3 secs Computing kpt #: 217 total cpu time spent up to now is 813.0 secs ethr = 1.52E-08, avg # of iterations = 55.6 total cpu time spent up to now is 813.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13387 PWs) bands (ev): -2.2892 -2.2892 -1.0510 -1.0510 0.9495 0.9495 2.5183 2.5183 2.5362 2.5362 3.2562 3.2562 3.2681 3.2681 3.4824 3.4824 4.2799 4.2799 4.7631 4.7631 4.8322 4.8322 4.8353 4.8353 5.1241 5.1241 5.5706 5.5706 5.5809 5.5809 5.8635 5.8635 5.8938 5.8938 6.0882 6.0882 6.3326 6.3326 6.3594 6.3594 6.5346 6.5346 6.5497 6.5497 7.0035 7.0035 7.0054 7.0054 7.1621 7.1621 7.1628 7.1628 7.1740 7.1740 7.4413 7.4413 7.5129 7.5129 7.6037 7.6037 7.6093 7.6093 7.8082 7.8082 7.8961 7.8961 7.9620 7.9620 7.9780 7.9780 8.2436 8.2436 8.2591 8.2591 8.4814 8.4814 9.2795 9.2795 9.3758 9.3758 k = 0.0217 0.0126-0.0000 ( 13399 PWs) bands (ev): -2.2890 -2.2890 -1.0510 -1.0510 0.9499 0.9499 2.5151 2.5151 2.5331 2.5331 3.2580 3.2580 3.2699 3.2699 3.4827 3.4827 4.2833 4.2833 4.7627 4.7627 4.8323 4.8323 4.8354 4.8354 5.1245 5.1245 5.5705 5.5705 5.5809 5.5809 5.8657 5.8657 5.8959 5.8959 6.0808 6.0808 6.3300 6.3300 6.3570 6.3570 6.5375 6.5375 6.5547 6.5547 7.0038 7.0038 7.0057 7.0057 7.1609 7.1609 7.1619 7.1619 7.1738 7.1738 7.4464 7.4464 7.5126 7.5126 7.6038 7.6038 7.6094 7.6094 7.8079 7.8079 7.8946 7.8946 7.9642 7.9642 7.9803 7.9803 8.2444 8.2444 8.2599 8.2599 8.4781 8.4781 9.2785 9.2785 9.3746 9.3746 k = 0.0435 0.0251-0.0000 ( 13387 PWs) bands (ev): -2.2883 -2.2883 -1.0510 -1.0510 0.9511 0.9511 2.5045 2.5045 2.5251 2.5251 3.2631 3.2631 3.2750 3.2750 3.4836 3.4836 4.2933 4.2933 4.7612 4.7612 4.8318 4.8318 4.8367 4.8367 5.1257 5.1257 5.5704 5.5704 5.5808 5.5808 5.8722 5.8722 5.9022 5.9022 6.0601 6.0601 6.3209 6.3209 6.3515 6.3515 6.5393 6.5393 6.5751 6.5751 7.0046 7.0046 7.0067 7.0067 7.1552 7.1552 7.1607 7.1607 7.1740 7.1740 7.4612 7.4612 7.5120 7.5120 7.6038 7.6038 7.6102 7.6102 7.8071 7.8071 7.8902 7.8902 7.9704 7.9704 7.9873 7.9873 8.2468 8.2468 8.2624 8.2624 8.4684 8.4684 9.2755 9.2755 9.3711 9.3711 k = 0.0652 0.0377-0.0000 ( 13383 PWs) bands (ev): -2.2873 -2.2873 -1.0509 -1.0509 0.9531 0.9531 2.4851 2.4851 2.5145 2.5145 3.2712 3.2712 3.2830 3.2830 3.4853 3.4853 4.3094 4.3094 4.7578 4.7578 4.8305 4.8305 4.8409 4.8409 5.1277 5.1277 5.5702 5.5702 5.5806 5.5806 5.8821 5.8821 5.9122 5.9122 6.0308 6.0308 6.3032 6.3032 6.3458 6.3458 6.5386 6.5386 6.6086 6.6086 7.0050 7.0050 7.0088 7.0088 7.1460 7.1460 7.1571 7.1571 7.1759 7.1759 7.4833 7.4833 7.5127 7.5127 7.6036 7.6036 7.6122 7.6122 7.8057 7.8057 7.8828 7.8828 7.9797 7.9797 7.9996 7.9996 8.2508 8.2508 8.2666 8.2666 8.4524 8.4524 9.2703 9.2703 9.3659 9.3659 k = 0.0870 0.0502-0.0000 ( 13391 PWs) bands (ev): -2.2860 -2.2860 -1.0509 -1.0509 0.9560 0.9560 2.4576 2.4576 2.5020 2.5020 3.2818 3.2818 3.2937 3.2937 3.4878 3.4878 4.3309 4.3309 4.7515 4.7515 4.8293 4.8293 4.8485 4.8485 5.1305 5.1305 5.5699 5.5699 5.5803 5.5803 5.8922 5.8922 5.9248 5.9248 5.9996 5.9996 6.2774 6.2774 6.3407 6.3407 6.5369 6.5369 6.6504 6.6504 7.0045 7.0045 7.0120 7.0120 7.1341 7.1341 7.1509 7.1509 7.1799 7.1799 7.4983 7.4983 7.5274 7.5274 7.6034 7.6034 7.6156 7.6156 7.8037 7.8037 7.8726 7.8726 7.9913 7.9913 8.0172 8.0172 8.2562 8.2562 8.2726 8.2726 8.4305 8.4305 9.2626 9.2626 9.3597 9.3597 k = 0.1087 0.0628-0.0000 ( 13385 PWs) bands (ev): -2.2842 -2.2842 -1.0508 -1.0508 0.9596 0.9596 2.4235 2.4235 2.4876 2.4876 3.2940 3.2940 3.3062 3.3062 3.4914 3.4914 4.3568 4.3568 4.7419 4.7419 4.8292 4.8292 4.8601 4.8601 5.1342 5.1342 5.5695 5.5695 5.5800 5.5800 5.8910 5.8910 5.9395 5.9395 5.9807 5.9807 6.2455 6.2455 6.3356 6.3356 6.5345 6.5345 6.6971 6.6971 7.0022 7.0022 7.0161 7.0161 7.1204 7.1204 7.1424 7.1424 7.1858 7.1858 7.4981 7.4981 7.5631 7.5631 7.6035 7.6035 7.6202 7.6202 7.8010 7.8010 7.8598 7.8598 8.0051 8.0051 8.0397 8.0397 8.2630 8.2630 8.2801 8.2801 8.4035 8.4035 9.2524 9.2524 9.3534 9.3534 k = 0.1304 0.0753-0.0000 ( 13397 PWs) bands (ev): -2.2822 -2.2822 -1.0507 -1.0507 0.9642 0.9642 2.3842 2.3842 2.4716 2.4716 3.3074 3.3074 3.3199 3.3199 3.4965 3.4965 4.3859 4.3859 4.7289 4.7289 4.8312 4.8312 4.8757 4.8757 5.1386 5.1386 5.5691 5.5691 5.5797 5.5797 5.8648 5.8648 5.9584 5.9584 5.9865 5.9865 6.2091 6.2091 6.3302 6.3302 6.5316 6.5316 6.7467 6.7467 6.9966 6.9966 7.0210 7.0210 7.1066 7.1066 7.1319 7.1319 7.1936 7.1936 7.4945 7.4945 7.6015 7.6015 7.6089 7.6089 7.6264 7.6264 7.7973 7.7973 7.8448 7.8448 8.0213 8.0213 8.0661 8.0661 8.2710 8.2710 8.2885 8.2885 8.3728 8.3728 9.2395 9.2395 9.3475 9.3475 k = 0.1522 0.0879-0.0000 ( 13402 PWs) bands (ev): -2.2798 -2.2798 -1.0506 -1.0506 0.9696 0.9696 2.3410 2.3410 2.4544 2.4544 3.3212 3.3212 3.3341 3.3341 3.5035 3.5035 4.4166 4.4166 4.7128 4.7128 4.8363 4.8363 4.8951 4.8951 5.1439 5.1439 5.5685 5.5685 5.5793 5.5793 5.8240 5.8240 5.9814 5.9814 6.0068 6.0068 6.1696 6.1696 6.3245 6.3245 6.5284 6.5284 6.7973 6.7973 6.9854 6.9854 7.0263 7.0263 7.0948 7.0948 7.1202 7.1202 7.2036 7.2036 7.4899 7.4899 7.6049 7.6049 7.6330 7.6330 7.6546 7.6546 7.7922 7.7922 7.8285 7.8285 8.0398 8.0398 8.0959 8.0959 8.2793 8.2793 8.2940 8.2940 8.3435 8.3435 9.2242 9.2242 9.3427 9.3427 k = 0.1739 0.1004-0.0000 ( 13394 PWs) bands (ev): -2.2772 -2.2772 -1.0505 -1.0505 0.9760 0.9760 2.2949 2.2949 2.4363 2.4363 3.3351 3.3351 3.3477 3.3477 3.5130 3.5130 4.4476 4.4476 4.6939 4.6939 4.8457 4.8457 4.9182 4.9182 5.1500 5.1500 5.5680 5.5680 5.5790 5.5790 5.7788 5.7788 6.0056 6.0056 6.0343 6.0343 6.1281 6.1281 6.3183 6.3183 6.5248 6.5248 6.8475 6.8475 6.9674 6.9674 7.0313 7.0313 7.0857 7.0857 7.1089 7.1089 7.2159 7.2159 7.4848 7.4848 7.6072 7.6072 7.6417 7.6417 7.7035 7.7035 7.7841 7.7841 7.8129 7.8129 8.0607 8.0607 8.1284 8.1284 8.2711 8.2711 8.2953 8.2953 8.3341 8.3341 9.2069 9.2069 9.3390 9.3390 k = 0.1957 0.1130-0.0000 ( 13390 PWs) bands (ev): -2.2745 -2.2745 -1.0504 -1.0504 0.9833 0.9833 2.2469 2.2469 2.4178 2.4178 3.3485 3.3485 3.3600 3.3600 3.5255 3.5255 4.4776 4.4776 4.6726 4.6726 4.8600 4.8600 4.9445 4.9445 5.1569 5.1569 5.5673 5.5673 5.5786 5.5786 5.7328 5.7328 6.0294 6.0294 6.0659 6.0659 6.0863 6.0863 6.3120 6.3120 6.5210 6.5210 6.8951 6.8951 6.9436 6.9436 7.0336 7.0336 7.0786 7.0786 7.1012 7.1012 7.2310 7.2310 7.4796 7.4796 7.6099 7.6099 7.6516 7.6516 7.7528 7.7528 7.7707 7.7707 7.8007 7.8007 8.0841 8.0841 8.1629 8.1629 8.2333 8.2333 8.3068 8.3068 8.3440 8.3440 9.1880 9.1880 9.3367 9.3367 k = 0.2174 0.1255-0.0000 ( 13390 PWs) bands (ev): -2.2715 -2.2715 -1.0503 -1.0503 0.9915 0.9915 2.1977 2.1977 2.3993 2.3993 3.3611 3.3611 3.3706 3.3706 3.5412 3.5412 4.5056 4.5056 4.6491 4.6491 4.8796 4.8796 4.9738 4.9738 5.1646 5.1646 5.5666 5.5666 5.5782 5.5782 5.6878 5.6878 6.0413 6.0413 6.0519 6.0519 6.1041 6.1041 6.3055 6.3055 6.5169 6.5169 6.9085 6.9085 6.9457 6.9457 7.0281 7.0281 7.0757 7.0757 7.0992 7.0992 7.2495 7.2495 7.4743 7.4743 7.6132 7.6132 7.6626 7.6626 7.7522 7.7522 7.7918 7.7918 7.8012 7.8012 8.1101 8.1101 8.1856 8.1856 8.2011 8.2011 8.3211 8.3211 8.3592 8.3592 9.1680 9.1680 9.3356 9.3356 k = 0.2391 0.1381-0.0000 ( 13386 PWs) bands (ev): -2.2685 -2.2685 -1.0501 -1.0501 1.0007 1.0007 2.1482 2.1482 2.3810 2.3810 3.3716 3.3716 3.3804 3.3804 3.5601 3.5601 4.5312 4.5312 4.6237 4.6237 4.9038 4.9038 5.0057 5.0057 5.1731 5.1731 5.5656 5.5656 5.5779 5.5779 5.6453 5.6453 5.9984 5.9984 6.0724 6.0724 6.1429 6.1429 6.2990 6.2990 6.5126 6.5126 6.8763 6.8763 6.9838 6.9838 7.0141 7.0141 7.0798 7.0798 7.1012 7.1012 7.2719 7.2719 7.4692 7.4692 7.6169 7.6169 7.6747 7.6747 7.7314 7.7314 7.7850 7.7850 7.8462 7.8462 8.1318 8.1318 8.1449 8.1449 8.2373 8.2373 8.3376 8.3376 8.3763 8.3763 9.1472 9.1472 9.3359 9.3359 k = 0.2609 0.1506-0.0000 ( 13376 PWs) bands (ev): -2.2655 -2.2655 -1.0500 -1.0500 1.0107 1.0107 2.0989 2.0989 2.3634 2.3634 3.3785 3.3785 3.3907 3.3907 3.5819 3.5819 4.5546 4.5546 4.5968 4.5968 4.9311 4.9311 5.0397 5.0397 5.1824 5.1824 5.5640 5.5640 5.5774 5.5774 5.6074 5.6074 5.9559 5.9559 6.0904 6.0904 6.1835 6.1835 6.2925 6.2925 6.5081 6.5081 6.8404 6.8404 6.9867 6.9867 7.0255 7.0255 7.0880 7.0880 7.1055 7.1055 7.2985 7.2985 7.4644 7.4644 7.6209 7.6209 7.6878 7.6878 7.7099 7.7099 7.7783 7.7783 7.8871 7.8871 8.0848 8.0848 8.1731 8.1731 8.2754 8.2754 8.3561 8.3561 8.3942 8.3942 9.1259 9.1259 9.3376 9.3376 k = 0.2826 0.1632-0.0000 ( 13384 PWs) bands (ev): -2.2624 -2.2624 -1.0499 -1.0499 1.0215 1.0215 2.0506 2.0506 2.3465 2.3465 3.3824 3.3824 3.4011 3.4011 3.6059 3.6059 4.5686 4.5686 4.5766 4.5766 4.9589 4.9589 5.0753 5.0753 5.1924 5.1924 5.5582 5.5582 5.5741 5.5741 5.5822 5.5822 5.9145 5.9145 6.1052 6.1052 6.2249 6.2249 6.2865 6.2865 6.5035 6.5035 6.8033 6.8033 6.9626 6.9626 7.0553 7.0553 7.0977 7.0977 7.1117 7.1117 7.3291 7.3291 7.4599 7.4599 7.6250 7.6250 7.6882 7.6882 7.7021 7.7021 7.7714 7.7714 7.9226 7.9226 8.0326 8.0326 8.2087 8.2087 8.3137 8.3137 8.3766 8.3766 8.4125 8.4125 9.1043 9.1043 9.3408 9.3408 k = 0.3043 0.1757-0.0000 ( 13386 PWs) bands (ev): -2.2595 -2.2595 -1.0497 -1.0497 1.0329 1.0329 2.0039 2.0039 2.3307 2.3307 3.3845 3.3845 3.4111 3.4111 3.6315 3.6315 4.5398 4.5398 4.5978 4.5978 4.9841 4.9841 5.1118 5.1118 5.2029 5.2029 5.5407 5.5407 5.5681 5.5681 5.5795 5.5795 5.8744 5.8744 6.1161 6.1161 6.2647 6.2647 6.2822 6.2822 6.4987 6.4987 6.7662 6.7662 6.9360 6.9360 7.0804 7.0804 7.1067 7.1067 7.1201 7.1201 7.3629 7.3629 7.4559 7.4559 7.6291 7.6291 7.6678 7.6678 7.7163 7.7163 7.7641 7.7641 7.9502 7.9502 7.9821 7.9821 8.2471 8.2471 8.3515 8.3515 8.3988 8.3988 8.4311 8.4311 9.0826 9.0826 9.3455 9.3455 k = 0.3261 0.1883-0.0000 ( 13370 PWs) bands (ev): -2.2567 -2.2567 -1.0496 -1.0496 1.0449 1.0449 1.9593 1.9593 2.3161 2.3161 3.3852 3.3852 3.4201 3.4201 3.6579 3.6579 4.5107 4.5107 4.6192 4.6192 5.0032 5.0032 5.1484 5.1484 5.2140 5.2140 5.5263 5.5263 5.5663 5.5663 5.5799 5.5799 5.8360 5.8360 6.1222 6.1222 6.2731 6.2731 6.3086 6.3086 6.4939 6.4939 6.7305 6.7305 6.9091 6.9091 7.1007 7.1007 7.1140 7.1140 7.1311 7.1311 7.3986 7.3986 7.4523 7.4523 7.6332 7.6332 7.6486 7.6486 7.7307 7.7307 7.7566 7.7566 7.9243 7.9243 7.9797 7.9797 8.2871 8.2871 8.3883 8.3883 8.4217 8.4217 8.4503 8.4503 9.0607 9.0607 9.3518 9.3518 k = 0.3478 0.2008-0.0000 ( 13364 PWs) bands (ev): -2.2540 -2.2540 -1.0495 -1.0495 1.0571 1.0571 1.9175 1.9175 2.3029 2.3029 3.3852 3.3852 3.4282 3.4282 3.6844 3.6844 4.4819 4.4819 4.6413 4.6413 5.0129 5.0129 5.1842 5.1842 5.2256 5.2256 5.5229 5.5229 5.5654 5.5654 5.5809 5.5809 5.7997 5.7997 6.1230 6.1230 6.2685 6.2685 6.3460 6.3460 6.4894 6.4894 6.6973 6.6973 6.8834 6.8834 7.1164 7.1164 7.1204 7.1204 7.1434 7.1434 7.4347 7.4347 7.4493 7.4493 7.6312 7.6312 7.6370 7.6370 7.7412 7.7412 7.7522 7.7522 7.8739 7.8739 7.9979 7.9979 8.3273 8.3273 8.4233 8.4233 8.4433 8.4433 8.4717 8.4717 9.0389 9.0389 9.3595 9.3595 k = 0.3696 0.2134-0.0000 ( 13360 PWs) bands (ev): -2.2517 -2.2517 -1.0494 -1.0494 1.0692 1.0692 1.8791 1.8791 2.2913 2.2913 3.3846 3.3846 3.4351 3.4351 3.7103 3.7103 4.4540 4.4540 4.6647 4.6647 5.0119 5.0119 5.2174 5.2174 5.2382 5.2382 5.5316 5.5316 5.5648 5.5648 5.5825 5.5825 5.7658 5.7658 6.1180 6.1180 6.2639 6.2639 6.3793 6.3793 6.4862 6.4862 6.6677 6.6677 6.8600 6.8600 7.1240 7.1240 7.1308 7.1308 7.1557 7.1557 7.4459 7.4459 7.4710 7.4710 7.6162 7.6162 7.6406 7.6406 7.7356 7.7356 7.7625 7.7625 7.8249 7.8249 8.0123 8.0123 8.3661 8.3661 8.4556 8.4556 8.4616 8.4616 8.4966 8.4966 9.0171 9.0171 9.3686 9.3686 k = 0.3913 0.2259-0.0000 ( 13366 PWs) bands (ev): -2.2495 -2.2495 -1.0493 -1.0493 1.0808 1.0808 1.8448 1.8448 2.2812 2.2812 3.3838 3.3838 3.4410 3.4410 3.7349 3.7349 4.4277 4.4277 4.6895 4.6895 5.0006 5.0006 5.2415 5.2415 5.2569 5.2569 5.5509 5.5509 5.5644 5.5644 5.5849 5.5849 5.7346 5.7346 6.1073 6.1073 6.2599 6.2599 6.4056 6.4056 6.4859 6.4859 6.6426 6.6426 6.8401 6.8401 7.1284 7.1284 7.1410 7.1410 7.1671 7.1671 7.4437 7.4437 7.5049 7.5049 7.6042 7.6042 7.6437 7.6437 7.7255 7.7255 7.7748 7.7748 7.7792 7.7792 8.0230 8.0230 8.4021 8.4021 8.4750 8.4750 8.4858 8.4858 8.5242 8.5242 8.9955 8.9955 9.3788 9.3788 k = 0.4130 0.2385-0.0000 ( 13358 PWs) bands (ev): -2.2478 -2.2478 -1.0492 -1.0492 1.0915 1.0915 1.8153 1.8153 2.2728 2.2728 3.3829 3.3829 3.4457 3.4457 3.7572 3.7572 4.4040 4.4040 4.7157 4.7157 4.9814 4.9814 5.2541 5.2541 5.2825 5.2825 5.5639 5.5639 5.5771 5.5771 5.5886 5.5886 5.7065 5.7065 6.0918 6.0918 6.2565 6.2565 6.4215 6.4215 6.4908 6.4908 6.6226 6.6226 6.8245 6.8245 7.1319 7.1319 7.1491 7.1491 7.1772 7.1772 7.4418 7.4418 7.5364 7.5364 7.5960 7.5960 7.6464 7.6464 7.7139 7.7139 7.7357 7.7357 7.7876 7.7876 8.0305 8.0305 8.4339 8.4339 8.4862 8.4862 8.5112 8.5112 8.5523 8.5523 8.9747 8.9747 9.3894 9.3894 k = 0.4348 0.2510-0.0000 ( 13362 PWs) bands (ev): -2.2463 -2.2463 -1.0492 -1.0492 1.1006 1.1006 1.7913 1.7913 2.2663 2.2663 3.3821 3.3821 3.4494 3.4494 3.7762 3.7762 4.3839 4.3839 4.7426 4.7426 4.9572 4.9572 5.2633 5.2633 5.3054 5.3054 5.5637 5.5637 5.5922 5.5922 5.6068 5.6068 5.6819 5.6819 6.0735 6.0735 6.2538 6.2538 6.4273 6.4273 6.5002 6.5002 6.6078 6.6078 6.8135 6.8135 7.1346 7.1346 7.1553 7.1553 7.1854 7.1854 7.4404 7.4404 7.5647 7.5647 7.5925 7.5925 7.6486 7.6486 7.6977 7.6977 7.7012 7.7012 7.7977 7.7977 8.0355 8.0355 8.4601 8.4601 8.4947 8.4947 8.5320 8.5320 8.5788 8.5788 8.9555 8.9555 9.3997 9.3997 k = 0.4565 0.2636-0.0000 ( 13394 PWs) bands (ev): -2.2453 -2.2453 -1.0491 -1.0491 1.1076 1.1076 1.7735 1.7735 2.2616 2.2616 3.3814 3.3814 3.4519 3.4519 3.7908 3.7908 4.3684 4.3684 4.7692 4.7692 4.9313 4.9313 5.2703 5.2703 5.3229 5.3229 5.5635 5.5635 5.5981 5.5981 5.6328 5.6328 5.6615 5.6615 6.0555 6.0555 6.2518 6.2518 6.4277 6.4277 6.5097 6.5097 6.5979 6.5979 6.8068 6.8068 7.1366 7.1366 7.1596 7.1596 7.1914 7.1914 7.4393 7.4393 7.5873 7.5873 7.5963 7.5963 7.6498 7.6498 7.6658 7.6658 7.6875 7.6875 7.8055 7.8055 8.0386 8.0386 8.4797 8.4797 8.5007 8.5007 8.5475 8.5475 8.6010 8.6010 8.9394 8.9394 9.4084 9.4084 k = 0.4783 0.2761-0.0000 ( 13384 PWs) bands (ev): -2.2447 -2.2447 -1.0491 -1.0491 1.1121 1.1121 1.7626 1.7626 2.2587 2.2587 3.3810 3.3810 3.4535 3.4535 3.8001 3.8001 4.3586 4.3586 4.7919 4.7919 4.9084 4.9084 5.2747 5.2747 5.3338 5.3338 5.5635 5.5635 5.6045 5.6045 5.6439 5.6439 5.6538 5.6538 6.0420 6.0420 6.2506 6.2506 6.4267 6.4267 6.5160 6.5160 6.5924 6.5924 6.8034 6.8034 7.1378 7.1378 7.1621 7.1621 7.1950 7.1950 7.4387 7.4387 7.5986 7.5986 7.6115 7.6115 7.6373 7.6373 7.6539 7.6539 7.6741 7.6741 7.8104 7.8104 8.0402 8.0402 8.4918 8.4918 8.5043 8.5043 8.5570 8.5570 8.6160 8.6160 8.9283 8.9283 9.4144 9.4144 k = 0.5000 0.2887-0.0000 ( 13372 PWs) bands (ev): -2.2445 -2.2445 -1.0491 -1.0491 1.1136 1.1136 1.7589 1.7589 2.2578 2.2578 3.3808 3.3808 3.4540 3.4540 3.8032 3.8032 4.3553 4.3553 4.8022 4.8022 4.8980 4.8980 5.2762 5.2762 5.3375 5.3375 5.5634 5.5634 5.6080 5.6080 5.6381 5.6381 5.6598 5.6598 6.0369 6.0369 6.2502 6.2502 6.4261 6.4261 6.5181 6.5181 6.5906 6.5906 6.8024 6.8024 7.1382 7.1382 7.1629 7.1629 7.1962 7.1962 7.4385 7.4385 7.6065 7.6065 7.6215 7.6215 7.6217 7.6217 7.6554 7.6554 7.6664 7.6664 7.8120 7.8120 8.0407 8.0407 8.4958 8.4958 8.5055 8.5055 8.5602 8.5602 8.6214 8.6214 8.9243 8.9243 9.4166 9.4166 k = 0.5000 0.2887-0.0000 ( 13372 PWs) bands (ev): -2.2445 -2.2445 -1.0491 -1.0491 1.1136 1.1136 1.7589 1.7589 2.2578 2.2578 3.3808 3.3808 3.4540 3.4540 3.8032 3.8032 4.3553 4.3553 4.8022 4.8022 4.8980 4.8980 5.2762 5.2762 5.3375 5.3375 5.5634 5.5634 5.6080 5.6080 5.6381 5.6381 5.6598 5.6598 6.0369 6.0369 6.2502 6.2502 6.4261 6.4261 6.5181 6.5181 6.5906 6.5906 6.8024 6.8024 7.1382 7.1382 7.1629 7.1629 7.1962 7.1962 7.4385 7.4385 7.6065 7.6065 7.6215 7.6215 7.6217 7.6217 7.6554 7.6554 7.6664 7.6664 7.8120 7.8120 8.0407 8.0407 8.4958 8.4958 8.5055 8.5055 8.5602 8.5602 8.6214 8.6214 8.9243 8.9243 9.4166 9.4166 k = 0.4872 0.3109-0.0000 ( 13380 PWs) bands (ev): -2.2444 -2.2444 -1.0491 -1.0491 1.1151 1.1151 1.7545 1.7545 2.2600 2.2600 3.3726 3.3726 3.4644 3.4644 3.8040 3.8040 4.3514 4.3514 4.8032 4.8032 4.8944 4.8944 5.2770 5.2770 5.3432 5.3432 5.5618 5.5618 5.6081 5.6081 5.6384 5.6384 5.6615 5.6615 6.0381 6.0381 6.2499 6.2499 6.4260 6.4260 6.5168 6.5168 6.5865 6.5865 6.8010 6.8010 7.1362 7.1362 7.1678 7.1678 7.1959 7.1959 7.4394 7.4394 7.6047 7.6047 7.6195 7.6195 7.6251 7.6251 7.6541 7.6541 7.6671 7.6671 7.8129 7.8129 8.0404 8.0404 8.4970 8.4970 8.5039 8.5039 8.5631 8.5631 8.6241 8.6241 8.9264 8.9264 9.4177 9.4177 k = 0.4744 0.3331-0.0000 ( 13382 PWs) bands (ev): -2.2442 -2.2442 -1.0491 -1.0491 1.1196 1.1196 1.7415 1.7415 2.2662 2.2662 3.3556 3.3556 3.4880 3.4880 3.8064 3.8064 4.3399 4.3399 4.8059 4.8059 4.8844 4.8844 5.2794 5.2794 5.3598 5.3598 5.5572 5.5572 5.6083 5.6083 5.6392 5.6392 5.6666 5.6666 6.0419 6.0419 6.2491 6.2491 6.4257 6.4257 6.5128 6.5128 6.5743 6.5743 6.7973 6.7973 7.1310 7.1310 7.1805 7.1805 7.1955 7.1955 7.4421 7.4421 7.6004 7.6004 7.6174 7.6174 7.6303 7.6303 7.6505 7.6505 7.6687 7.6687 7.8154 7.8154 8.0396 8.0396 8.4984 8.4984 8.5008 8.5008 8.5721 8.5721 8.6322 8.6322 8.9325 8.9325 9.4213 9.4213 k = 0.4615 0.3553-0.0000 ( 13380 PWs) bands (ev): -2.2439 -2.2439 -1.0491 -1.0491 1.1270 1.1270 1.7210 1.7210 2.2755 2.2755 3.3368 3.3368 3.5176 3.5176 3.8102 3.8102 4.3216 4.3216 4.8096 4.8096 4.8697 4.8697 5.2833 5.2833 5.3856 5.3856 5.5500 5.5500 5.6087 5.6087 5.6402 5.6402 5.6749 5.6749 6.0480 6.0480 6.2477 6.2477 6.4250 6.4250 6.5060 6.5060 6.5545 6.5545 6.7926 6.7926 7.1236 7.1236 7.1882 7.1882 7.2053 7.2053 7.4464 7.4464 7.5951 7.5951 7.6149 7.6149 7.6362 7.6362 7.6454 7.6454 7.6709 7.6709 7.8194 7.8194 8.0383 8.0383 8.4911 8.4911 8.5051 8.5051 8.5876 8.5876 8.6456 8.6456 8.9422 8.9422 9.4272 9.4272 k = 0.4487 0.3775-0.0000 ( 13384 PWs) bands (ev): -2.2434 -2.2434 -1.0490 -1.0490 1.1374 1.1374 1.6943 1.6943 2.2867 2.2867 3.3188 3.3188 3.5507 3.5507 3.8153 3.8153 4.2974 4.2974 4.8131 4.8131 4.8524 4.8524 5.2886 5.2886 5.4187 5.4187 5.5405 5.5405 5.6095 5.6095 5.6411 5.6411 5.6863 5.6863 6.0562 6.0562 6.2459 6.2459 6.4237 6.4237 6.4956 6.4956 6.5289 6.5289 6.7886 6.7886 7.1145 7.1145 7.1843 7.1843 7.2299 7.2299 7.4524 7.4524 7.5893 7.5893 7.6119 7.6119 7.6366 7.6366 7.6450 7.6450 7.6733 7.6733 7.8245 7.8245 8.0366 8.0366 8.4814 8.4814 8.5105 8.5105 8.6097 8.6097 8.6641 8.6641 8.9547 8.9547 9.4354 9.4354 k = 0.4359 0.3997-0.0000 ( 13378 PWs) bands (ev): -2.2429 -2.2429 -1.0490 -1.0490 1.1507 1.1507 1.6630 1.6630 2.2986 2.2986 3.3023 3.3023 3.5862 3.5862 3.8216 3.8216 4.2686 4.2686 4.8142 4.8142 4.8360 4.8360 5.2953 5.2953 5.4570 5.4570 5.5293 5.5293 5.6108 5.6108 5.6416 5.6416 5.7004 5.7004 6.0660 6.0660 6.2439 6.2439 6.4218 6.4218 6.4775 6.4775 6.5025 6.5025 6.7869 6.7869 7.1037 7.1037 7.1773 7.1773 7.2591 7.2591 7.4598 7.4598 7.5832 7.5832 7.6089 7.6089 7.6289 7.6289 7.6517 7.6517 7.6756 7.6756 7.8303 7.8303 8.0346 8.0346 8.4705 8.4705 8.5163 8.5163 8.6384 8.6384 8.6874 8.6874 8.9693 8.9693 9.4451 9.4451 k = 0.4231 0.4219-0.0000 ( 13368 PWs) bands (ev): -2.2423 -2.2423 -1.0490 -1.0490 1.1669 1.1669 1.6282 1.6282 2.3101 2.3101 3.2877 3.2877 3.6236 3.6236 3.8289 3.8289 4.2359 4.2359 4.8067 4.8067 4.8271 4.8271 5.3035 5.3035 5.4970 5.4970 5.5179 5.5179 5.6130 5.6130 5.6417 5.6417 5.7174 5.7174 6.0770 6.0770 6.2416 6.2416 6.4192 6.4192 6.4444 6.4444 6.4841 6.4841 6.7887 6.7887 7.0910 7.0910 7.1683 7.1683 7.2903 7.2903 7.4686 7.4686 7.5768 7.5768 7.6060 7.6060 7.6201 7.6201 7.6587 7.6587 7.6776 7.6776 7.8365 7.8365 8.0323 8.0323 8.4592 8.4592 8.5223 8.5223 8.6731 8.6731 8.7152 8.7152 8.9852 8.9852 9.4514 9.4514 k = 0.4103 0.4441-0.0000 ( 13388 PWs) bands (ev): -2.2416 -2.2416 -1.0490 -1.0490 1.1860 1.1860 1.5910 1.5910 2.3206 2.3206 3.2751 3.2751 3.6623 3.6623 3.8368 3.8368 4.2004 4.2004 4.7926 4.7926 4.8249 4.8249 5.3131 5.3131 5.5005 5.5005 5.5417 5.5417 5.6168 5.6168 5.6418 5.6418 5.7373 5.7373 6.0882 6.0882 6.2392 6.2392 6.4019 6.4019 6.4157 6.4157 6.4695 6.4695 6.7948 6.7948 7.0759 7.0759 7.1585 7.1585 7.3222 7.3222 7.4783 7.4783 7.5700 7.5700 7.6028 7.6028 7.6113 7.6113 7.6652 7.6652 7.6792 7.6792 7.8428 7.8428 8.0300 8.0300 8.4482 8.4482 8.5283 8.5283 8.7127 8.7127 8.7475 8.7475 9.0018 9.0018 9.4238 9.4238 k = 0.3974 0.4663-0.0000 ( 13400 PWs) bands (ev): -2.2410 -2.2410 -1.0489 -1.0489 1.2079 1.2079 1.5524 1.5524 2.3295 2.3295 3.2645 3.2645 3.7016 3.7016 3.8455 3.8455 4.1627 4.1627 4.7792 4.7792 4.8225 4.8225 5.3241 5.3241 5.4858 5.4858 5.5767 5.5767 5.6240 5.6240 5.6439 5.6439 5.7609 5.7609 6.0980 6.0980 6.2369 6.2369 6.3555 6.3555 6.4115 6.4115 6.4559 6.4559 6.8058 6.8058 7.0579 7.0579 7.1489 7.1489 7.3533 7.3533 7.4889 7.4889 7.5629 7.5629 7.5968 7.5968 7.6054 7.6054 7.6706 7.6706 7.6805 7.6805 7.8489 7.8489 8.0277 8.0277 8.4383 8.4383 8.5341 8.5341 8.7557 8.7557 8.7850 8.7850 9.0187 9.0187 9.3658 9.3658 k = 0.3846 0.4885-0.0000 ( 13420 PWs) bands (ev): -2.2404 -2.2404 -1.0489 -1.0489 1.2327 1.2327 1.5130 1.5130 2.3366 2.3366 3.2560 3.2560 3.7402 3.7402 3.8553 3.8553 4.1235 4.1235 4.7689 4.7689 4.8183 4.8183 5.3366 5.3366 5.4698 5.4698 5.5968 5.5968 5.6300 5.6300 5.6586 5.6586 5.7899 5.7899 6.1040 6.1040 6.2348 6.2348 6.3086 6.3086 6.4066 6.4066 6.4435 6.4435 6.8216 6.8216 7.0365 7.0365 7.1407 7.1407 7.3823 7.3823 7.4999 7.4999 7.5559 7.5559 7.5874 7.5874 7.6029 7.6029 7.6746 7.6746 7.6816 7.6816 7.8545 7.8545 8.0256 8.0256 8.4299 8.4299 8.5395 8.5395 8.7990 8.7990 8.8295 8.8295 9.0354 9.0354 9.3033 9.3033 k = 0.3718 0.5107-0.0000 ( 13410 PWs) bands (ev): -2.2399 -2.2399 -1.0489 -1.0489 1.2602 1.2602 1.4736 1.4736 2.3418 2.3418 3.2494 3.2494 3.7752 3.7752 3.8682 3.8682 4.0833 4.0833 4.7628 4.7628 4.8123 4.8123 5.3505 5.3505 5.4530 5.4530 5.6053 5.6053 5.6294 5.6294 5.6841 5.6841 5.8263 5.8263 6.1006 6.1006 6.2330 6.2330 6.2669 6.2669 6.4013 6.4013 6.4331 6.4331 6.8420 6.8420 7.0118 7.0118 7.1344 7.1344 7.4075 7.4075 7.5110 7.5110 7.5496 7.5496 7.5774 7.5774 7.6010 7.6010 7.6768 7.6768 7.6826 7.6826 7.8592 7.8592 8.0239 8.0239 8.4234 8.4234 8.5443 8.5443 8.8402 8.8402 8.8817 8.8817 9.0519 9.0519 9.2412 9.2412 k = 0.3590 0.5329-0.0000 ( 13402 PWs) bands (ev): -2.2394 -2.2394 -1.0489 -1.0489 1.2904 1.2904 1.4344 1.4344 2.3453 2.3453 3.2448 3.2448 3.8017 3.8017 3.8885 3.8885 4.0425 4.0425 4.7611 4.7611 4.8046 4.8046 5.3657 5.3657 5.4357 5.4357 5.6103 5.6103 5.6266 5.6266 5.7053 5.7053 5.8714 5.8714 6.0801 6.0801 6.2314 6.2314 6.2385 6.2385 6.3961 6.3961 6.4255 6.4255 6.8665 6.8665 6.9844 6.9844 7.1301 7.1301 7.4272 7.4272 7.5215 7.5215 7.5456 7.5456 7.5674 7.5674 7.5989 7.5989 7.6776 7.6776 7.6836 7.6836 7.8629 7.8629 8.0226 8.0226 8.4189 8.4189 8.5481 8.5481 8.8786 8.8786 8.9401 8.9401 9.0678 9.0678 9.1824 9.1824 k = 0.3462 0.5551-0.0000 ( 13384 PWs) bands (ev): -2.2392 -2.2392 -1.0489 -1.0489 1.3232 1.3232 1.3961 1.3961 2.3472 2.3472 3.2421 3.2421 3.8157 3.8157 3.9190 3.9190 4.0018 4.0018 4.7636 4.7636 4.7963 4.7963 5.3820 5.3820 5.4181 5.4181 5.6145 5.6145 5.6230 5.6230 5.7180 5.7180 5.9237 5.9237 6.0394 6.0394 6.2253 6.2253 6.2312 6.2312 6.3921 6.3921 6.4211 6.4211 6.8943 6.8943 6.9550 6.9550 7.1278 7.1278 7.4393 7.4393 7.5296 7.5296 7.5458 7.5458 7.5582 7.5582 7.5968 7.5968 7.6775 7.6776 7.6840 7.6840 7.8652 7.8652 8.0218 8.0218 8.4163 8.4163 8.5506 8.5506 8.9106 8.9106 9.0024 9.0024 9.0828 9.0828 9.1308 9.1309 k = 0.3333 0.5774-0.0000 ( 13362 PWs) bands (ev): -2.2390 -2.2390 -1.0488 -1.0488 1.3567 1.3567 1.3607 1.3607 2.3477 2.3477 3.2412 3.2412 3.8195 3.8195 3.9490 3.9490 3.9693 3.9693 4.7665 4.7665 4.7914 4.7914 5.3966 5.3966 5.4031 5.4031 5.6186 5.6186 5.6188 5.6188 5.7222 5.7222 5.9715 5.9715 5.9942 5.9942 6.2229 6.2229 6.2308 6.2308 6.3905 6.3905 6.4197 6.4197 6.9235 6.9235 6.9254 6.9254 7.1270 7.1270 7.4431 7.4431 7.5327 7.5327 7.5500 7.5500 7.5512 7.5512 7.5957 7.5957 7.6774 7.6774 7.6841 7.6841 7.8661 7.8661 8.0215 8.0215 8.4156 8.4156 8.5515 8.5515 8.9251 8.9251 9.0569 9.0569 9.0774 9.0774 9.1015 9.1015 k = 0.3333 0.5774-0.0000 ( 13362 PWs) bands (ev): -2.2390 -2.2390 -1.0488 -1.0488 1.3567 1.3567 1.3607 1.3607 2.3477 2.3477 3.2412 3.2412 3.8195 3.8195 3.9490 3.9490 3.9693 3.9693 4.7665 4.7665 4.7914 4.7914 5.3966 5.3966 5.4031 5.4031 5.6186 5.6186 5.6188 5.6188 5.7222 5.7222 5.9715 5.9715 5.9942 5.9942 6.2229 6.2229 6.2308 6.2308 6.3905 6.3905 6.4197 6.4197 6.9235 6.9235 6.9254 6.9254 7.1270 7.1270 7.4431 7.4431 7.5327 7.5327 7.5500 7.5500 7.5512 7.5512 7.5957 7.5957 7.6774 7.6774 7.6841 7.6841 7.8661 7.8661 8.0215 8.0215 8.4156 8.4156 8.5515 8.5515 8.9251 8.9251 9.0569 9.0569 9.0774 9.0774 9.1015 9.1015 k = 0.3205 0.5551-0.0000 ( 13390 PWs) bands (ev): -2.2392 -2.2392 -1.0489 -1.0489 1.3227 1.3227 1.3967 1.3967 2.3473 2.3473 3.2420 3.2420 3.8166 3.8166 3.9167 3.9167 4.0031 4.0031 4.7613 4.7613 4.7986 4.7986 5.3815 5.3815 5.4186 5.4186 5.6141 5.6141 5.6235 5.6235 5.7183 5.7183 5.9187 5.9187 6.0454 6.0454 6.2238 6.2238 6.2312 6.2312 6.3922 6.3922 6.4210 6.4210 6.8936 6.8936 6.9556 6.9556 7.1277 7.1277 7.4400 7.4400 7.5296 7.5296 7.5453 7.5453 7.5570 7.5570 7.5976 7.5976 7.6775 7.6775 7.6844 7.6844 7.8652 7.8652 8.0218 8.0218 8.4162 8.4162 8.5505 8.5505 8.9086 8.9086 9.0004 9.0004 9.1037 9.1037 9.1119 9.1119 k = 0.3077 0.5329-0.0000 ( 13382 PWs) bands (ev): -2.2395 -2.2395 -1.0489 -1.0489 1.2882 1.2882 1.4370 1.4370 2.3461 2.3461 3.2445 3.2445 3.8091 3.8091 3.8764 3.8764 4.0472 4.0472 4.7498 4.7498 4.8160 4.8160 5.3636 5.3636 5.4374 5.4374 5.6092 5.6092 5.6290 5.6290 5.7075 5.7075 5.8519 5.8519 6.1085 6.1085 6.2247 6.2247 6.2323 6.2323 6.3973 6.3973 6.4247 6.4247 6.8636 6.8636 6.9862 6.9862 7.1293 7.1293 7.4324 7.4324 7.5228 7.5228 7.5379 7.5379 7.5633 7.5633 7.6037 7.6037 7.6772 7.6772 7.6866 7.6866 7.8625 7.8625 8.0223 8.0223 8.4178 8.4178 8.5471 8.5471 8.8686 8.8686 8.9331 8.9331 9.1272 9.1272 9.1324 9.1324 k = 0.2949 0.5107-0.0000 ( 13380 PWs) bands (ev): -2.2401 -2.2401 -1.0489 -1.0489 1.2555 1.2555 1.4796 1.4796 2.3447 2.3447 3.2485 3.2485 3.7978 3.7978 3.8363 3.8363 4.0924 4.0924 4.7362 4.7362 4.8389 4.8389 5.3458 5.3458 5.4564 5.4564 5.6039 5.6039 5.6350 5.6350 5.6916 5.6916 5.7824 5.7824 6.1730 6.1730 6.2243 6.2243 6.2341 6.2341 6.4051 6.4051 6.4303 6.4303 6.8356 6.8356 7.0148 7.0148 7.1317 7.1317 7.4220 7.4220 7.5147 7.5147 7.5258 7.5258 7.5692 7.5692 7.6135 7.6135 7.6759 7.6759 7.6917 7.6917 7.8579 7.8579 8.0229 8.0229 8.4198 8.4198 8.5411 8.5411 8.8197 8.8197 8.8661 8.8661 9.1415 9.1415 9.1684 9.1684 k = 0.2821 0.4885-0.0000 ( 13378 PWs) bands (ev): -2.2411 -2.2411 -1.0489 -1.0489 1.2245 1.2245 1.5245 1.5245 2.3432 2.3432 3.2538 3.2538 3.7835 3.7835 3.7968 3.7968 4.1379 4.1379 4.7218 4.7218 4.8653 4.8653 5.3282 5.3282 5.4749 5.4749 5.5981 5.5981 5.6390 5.6390 5.6748 5.6748 5.7122 5.7122 6.2220 6.2220 6.2338 6.2338 6.2405 6.2405 6.4146 6.4146 6.4368 6.4368 6.8113 6.8113 7.0397 7.0397 7.1345 7.1345 7.4100 7.4100 7.5039 7.5039 7.5115 7.5115 7.5745 7.5745 7.6263 7.6263 7.6746 7.6746 7.6997 7.6997 7.8515 7.8515 8.0233 8.0233 8.4217 8.4217 8.5322 8.5322 8.7681 8.7681 8.8004 8.8004 9.1550 9.1550 9.2026 9.2026 k = 0.2692 0.4663-0.0000 ( 13356 PWs) bands (ev): -2.2423 -2.2423 -1.0490 -1.0490 1.1953 1.1953 1.5714 1.5714 2.3421 2.3421 3.2603 3.2603 3.7578 3.7578 3.7670 3.7670 4.1833 4.1833 4.7071 4.7071 4.8941 4.8941 5.3110 5.3110 5.4921 5.4921 5.5909 5.5909 5.6291 5.6291 5.6393 5.6393 5.6750 5.6750 6.2176 6.2176 6.2389 6.2389 6.3023 6.3023 6.4251 6.4251 6.4423 6.4423 6.7927 6.7927 7.0595 7.0595 7.1373 7.1373 7.3967 7.3967 7.4840 7.4840 7.5026 7.5026 7.5789 7.5789 7.6418 7.6418 7.6748 7.6748 7.7100 7.7100 7.8432 7.8432 8.0230 8.0230 8.4229 8.4229 8.5201 8.5201 8.7142 8.7142 8.7381 8.7381 9.1677 9.1677 9.2283 9.2283 k = 0.2564 0.4441-0.0000 ( 13361 PWs) bands (ev): -2.2438 -2.2438 -1.0490 -1.0490 1.1681 1.1681 1.6203 1.6203 2.3415 2.3415 3.2679 3.2679 3.7200 3.7200 3.7483 3.7483 4.2284 4.2284 4.6922 4.6922 4.9235 4.9235 5.2943 5.2943 5.5073 5.5073 5.5641 5.5641 5.5818 5.5818 5.6150 5.6150 5.6862 5.6862 6.2110 6.2110 6.2425 6.2425 6.3627 6.3627 6.4374 6.4374 6.4446 6.4446 6.7822 6.7822 7.0734 7.0734 7.1399 7.1399 7.3825 7.3825 7.4582 7.4582 7.4961 7.4961 7.5824 7.5824 7.6555 7.6555 7.6814 7.6814 7.7229 7.7229 7.8331 7.8331 8.0215 8.0215 8.4230 8.4230 8.5047 8.5047 8.6556 8.6556 8.6831 8.6831 9.1789 9.1789 9.2417 9.2417 k = 0.2436 0.4219-0.0000 ( 13355 PWs) bands (ev): -2.2456 -2.2456 -1.0491 -1.0491 1.1428 1.1428 1.6710 1.6710 2.3419 2.3419 3.2762 3.2762 3.6831 3.6831 3.7282 3.7282 4.2728 4.2728 4.6773 4.6773 4.9518 4.9518 5.2781 5.2781 5.4926 5.4926 5.5201 5.5201 5.5653 5.5653 5.6022 5.6022 5.7054 5.7054 6.2021 6.2021 6.2467 6.2467 6.4062 6.4062 6.4449 6.4449 6.4603 6.4603 6.7815 6.7815 7.0814 7.0814 7.1419 7.1419 7.3675 7.3675 7.4284 7.4284 7.4905 7.4905 7.5849 7.5849 7.6610 7.6610 7.6990 7.6990 7.7410 7.7410 7.8216 7.8216 8.0184 8.0184 8.4217 8.4217 8.4859 8.4859 8.5933 8.5933 8.6351 8.6351 9.1869 9.1869 9.2455 9.2455 k = 0.2308 0.3997-0.0000 ( 13353 PWs) bands (ev): -2.2476 -2.2476 -1.0492 -1.0492 1.1195 1.1195 1.7233 1.7233 2.3434 2.3434 3.2850 3.2850 3.6473 3.6473 3.7071 3.7071 4.3165 4.3165 4.6624 4.6624 4.9770 4.9770 5.2625 5.2625 5.4219 5.4219 5.5267 5.5267 5.5501 5.5501 5.5949 5.5949 5.7298 5.7298 6.1909 6.1909 6.2514 6.2514 6.4088 6.4088 6.4508 6.4508 6.5087 6.5087 6.7908 6.7908 7.0840 7.0840 7.1429 7.1429 7.3517 7.3517 7.3950 7.3950 7.4859 7.4859 7.5867 7.5867 7.6635 7.6635 7.7173 7.7173 7.7687 7.7687 7.8089 7.8089 8.0129 8.0129 8.4186 8.4186 8.4638 8.4638 8.5303 8.5303 8.5912 8.5912 9.1895 9.1895 9.2469 9.2469 k = 0.2179 0.3775-0.0000 ( 13369 PWs) bands (ev): -2.2500 -2.2500 -1.0493 -1.0493 1.0980 1.0980 1.7771 1.7771 2.3462 2.3462 3.2941 3.2941 3.6126 3.6126 3.6852 3.6852 4.3593 4.3593 4.6475 4.6475 4.9967 4.9967 5.2476 5.2476 5.3521 5.3521 5.5223 5.5223 5.5479 5.5479 5.5902 5.5902 5.7584 5.7584 6.1776 6.1776 6.2566 6.2566 6.3898 6.3898 6.4596 6.4596 6.5657 6.5657 6.8087 6.8087 7.0823 7.0823 7.1427 7.1427 7.3350 7.3350 7.3587 7.3587 7.4821 7.4821 7.5878 7.5878 7.6667 7.6667 7.7312 7.7312 7.7924 7.7924 7.8101 7.8101 8.0045 8.0045 8.4137 8.4137 8.4385 8.4385 8.4682 8.4682 8.5507 8.5507 9.1859 9.1859 9.2517 9.2517 k = 0.2051 0.3553-0.0000 ( 13373 PWs) bands (ev): -2.2526 -2.2526 -1.0494 -1.0494 1.0783 1.0783 1.8321 1.8321 2.3505 2.3505 3.3032 3.3032 3.5792 3.5792 3.6629 3.6629 4.4010 4.4010 4.6324 4.6324 5.0088 5.0088 5.2333 5.2333 5.2844 5.2844 5.5171 5.5171 5.5527 5.5527 5.5868 5.5868 5.7907 5.7907 6.1622 6.1622 6.2622 6.2622 6.3621 6.3621 6.4683 6.4683 6.6227 6.6227 6.8326 6.8326 7.0773 7.0773 7.1411 7.1411 7.3126 7.3126 7.3249 7.3249 7.4792 7.4792 7.5886 7.5886 7.6718 7.6718 7.7418 7.7418 7.7789 7.7789 7.8549 7.8549 7.9926 7.9926 8.4050 8.4050 8.4076 8.4076 8.4123 8.4123 8.5132 8.5132 9.1792 9.1792 9.2598 9.2598 k = 0.1923 0.3331-0.0000 ( 13373 PWs) bands (ev): -2.2554 -2.2554 -1.0495 -1.0495 1.0604 1.0604 1.8881 1.8881 2.3563 2.3563 3.3119 3.3119 3.5470 3.5470 3.6406 3.6406 4.4415 4.4415 4.6167 4.6167 5.0116 5.0116 5.2145 5.2145 5.2244 5.2244 5.5205 5.5205 5.5580 5.5580 5.5842 5.5842 5.8260 5.8260 6.1447 6.1447 6.2680 6.2680 6.3294 6.3294 6.4767 6.4767 6.6778 6.6778 6.8599 6.8599 7.0703 7.0703 7.1380 7.1380 7.2735 7.2735 7.3056 7.3056 7.4772 7.4772 7.5891 7.5891 7.6794 7.6794 7.7492 7.7492 7.7653 7.7653 7.9050 7.9050 7.9768 7.9768 8.3493 8.3493 8.3792 8.3792 8.3990 8.3990 8.4786 8.4786 9.1729 9.1729 9.2696 9.2696 k = 0.1795 0.3109-0.0000 ( 13369 PWs) bands (ev): -2.2583 -2.2583 -1.0497 -1.0497 1.0442 1.0442 1.9448 1.9448 2.3639 2.3639 3.3198 3.3198 3.5162 3.5162 3.6186 3.6186 4.4805 4.4805 4.6001 4.6001 5.0054 5.0054 5.1559 5.1559 5.2084 5.2084 5.5332 5.5332 5.5639 5.5639 5.5822 5.5822 5.8640 5.8640 6.1253 6.1253 6.2729 6.2729 6.2947 6.2947 6.4846 6.4846 6.7304 6.7304 6.8881 6.8881 7.0621 7.0621 7.1333 7.1333 7.2301 7.2301 7.2894 7.2894 7.4761 7.4761 7.5895 7.5895 7.6896 7.6896 7.7432 7.7432 7.7636 7.7636 7.9471 7.9471 7.9666 7.9666 8.2945 8.2945 8.3464 8.3464 8.3886 8.3886 8.4469 8.4469 9.1692 9.1692 9.2797 9.2797 k = 0.1667 0.2887-0.0000 ( 13383 PWs) bands (ev): -2.2614 -2.2614 -1.0498 -1.0498 1.0296 1.0296 2.0020 2.0020 2.3731 2.3731 3.3265 3.3265 3.4868 3.4868 3.5973 3.5973 4.5180 4.5180 4.5820 4.5820 4.9916 4.9916 5.0982 5.0982 5.1965 5.1965 5.5499 5.5499 5.5745 5.5745 5.5812 5.5812 5.9040 5.9040 6.1042 6.1042 6.2525 6.2525 6.2836 6.2836 6.4921 6.4921 6.7801 6.7801 6.9146 6.9146 7.0535 7.0535 7.1267 7.1267 7.1867 7.1867 7.2741 7.2741 7.4760 7.4760 7.5899 7.5899 7.7025 7.7025 7.7280 7.7280 7.7701 7.7701 7.9259 7.9259 8.0151 8.0151 8.2439 8.2439 8.3118 8.3118 8.3767 8.3767 8.4183 8.4183 9.1688 9.1688 9.2897 9.2897 k = 0.1538 0.2665-0.0000 ( 13377 PWs) bands (ev): -2.2646 -2.2646 -1.0500 -1.0500 1.0165 1.0165 2.0592 2.0592 2.3839 2.3839 3.3315 3.3315 3.4588 3.4588 3.5769 3.5769 4.5538 4.5538 4.5619 4.5619 4.9724 4.9724 5.0454 5.0454 5.1856 5.1856 5.5592 5.5592 5.5794 5.5794 5.6015 5.6015 5.9458 5.9458 6.0817 6.0817 6.2140 6.2140 6.2896 6.2896 6.4990 6.4990 6.8266 6.8266 6.9357 6.9357 7.0447 7.0447 7.1170 7.1170 7.1481 7.1481 7.2595 7.2595 7.4767 7.4767 7.5905 7.5905 7.7115 7.7115 7.7183 7.7183 7.7771 7.7771 7.8930 7.8930 8.0691 8.0691 8.1984 8.1984 8.2761 8.2761 8.3635 8.3635 8.3928 8.3928 9.1720 9.1720 9.2991 9.2991 k = 0.1410 0.2443-0.0000 ( 13389 PWs) bands (ev): -2.2677 -2.2677 -1.0501 -1.0501 1.0048 1.0048 2.1161 2.1161 2.3963 2.3963 3.3344 3.3344 3.4323 3.4323 3.5580 3.5580 4.5390 4.5390 4.5879 4.5879 4.9504 4.9504 4.9986 4.9986 5.1757 5.1757 5.5630 5.5630 5.5790 5.5790 5.6385 5.6385 5.9887 5.9887 6.0582 6.0582 6.1747 6.1747 6.2964 6.2964 6.5055 6.5055 6.8697 6.8697 6.9451 6.9451 7.0359 7.0359 7.1003 7.1003 7.1247 7.1247 7.2458 7.2458 7.4783 7.4783 7.5912 7.5912 7.6960 7.6960 7.7350 7.7350 7.7839 7.7839 7.8539 7.8539 8.1218 8.1218 8.1591 8.1591 8.2398 8.2398 8.3489 8.3489 8.3708 8.3708 9.1785 9.1785 9.3079 9.3079 k = 0.1282 0.2221-0.0000 ( 13393 PWs) bands (ev): -2.2708 -2.2708 -1.0502 -1.0502 0.9945 0.9945 2.1722 2.1722 2.4099 2.4099 3.3347 3.3347 3.4072 3.4072 3.5410 3.5410 4.5132 4.5132 4.6197 4.6197 4.9274 4.9274 4.9584 4.9584 5.1666 5.1666 5.5651 5.5651 5.5788 5.5788 5.6810 5.6810 6.0288 6.0288 6.0377 6.0377 6.1358 6.1358 6.3034 6.3034 6.5116 6.5116 6.9087 6.9087 6.9338 6.9338 7.0279 7.0279 7.0879 7.0879 7.1146 7.1146 7.2329 7.2329 7.4806 7.4806 7.5922 7.5922 7.6809 7.6809 7.7529 7.7529 7.7910 7.7910 7.8096 7.8096 8.1222 8.1222 8.1750 8.1750 8.2039 8.2039 8.3333 8.3333 8.3525 8.3525 9.1880 9.1880 9.3161 9.3161 k = 0.1154 0.1999-0.0000 ( 13377 PWs) bands (ev): -2.2739 -2.2739 -1.0504 -1.0504 0.9854 0.9854 2.2270 2.2270 2.4247 2.4247 3.3321 3.3321 3.3837 3.3837 3.5263 3.5263 4.4846 4.4846 4.6493 4.6493 4.9051 4.9051 4.9252 4.9252 5.1584 5.1584 5.5666 5.5666 5.5788 5.5788 5.7268 5.7268 6.0091 6.0091 6.0768 6.0768 6.0983 6.0983 6.3103 6.3103 6.5171 6.5171 6.9006 6.9006 6.9433 6.9433 7.0221 7.0221 7.0883 7.0883 7.1099 7.1099 7.2211 7.2211 7.4837 7.4837 7.5935 7.5935 7.6665 7.6665 7.7614 7.7614 7.7699 7.7699 7.7996 7.7996 8.0924 8.0924 8.1670 8.1670 8.2238 8.2238 8.3177 8.3177 8.3378 8.3378 9.1997 9.1997 9.3237 9.3237 k = 0.1026 0.1776-0.0000 ( 13373 PWs) bands (ev): -2.2768 -2.2768 -1.0505 -1.0505 0.9775 0.9775 2.2798 2.2798 2.4403 2.4403 3.3264 3.3264 3.3619 3.3619 3.5141 3.5141 4.4537 4.4537 4.6763 4.6763 4.8847 4.8847 4.8987 4.8987 5.1512 5.1512 5.5676 5.5676 5.5790 5.5790 5.7741 5.7741 5.9853 5.9853 6.0622 6.0622 6.1210 6.1210 6.3170 6.3170 6.5221 6.5221 6.8554 6.8554 6.9717 6.9717 7.0177 7.0177 7.0932 7.0932 7.1119 7.1119 7.2104 7.2104 7.4872 7.4872 7.5950 7.5950 7.6533 7.6533 7.7115 7.7115 7.7830 7.7830 7.8114 7.8114 8.0664 8.0664 8.1326 8.1326 8.2641 8.2641 8.3041 8.3041 8.3286 8.3286 9.2129 9.2129 9.3310 9.3310 k = 0.0897 0.1554-0.0000 ( 13401 PWs) bands (ev): -2.2794 -2.2794 -1.0506 -1.0506 0.9707 0.9707 2.3298 2.3298 2.4562 2.4562 3.3178 3.3178 3.3419 3.3419 3.5045 3.5045 4.4217 4.4217 4.7003 4.7003 4.8669 4.8669 4.8783 4.8783 5.1448 5.1448 5.5683 5.5683 5.5793 5.5793 5.8213 5.8213 5.9625 5.9625 6.0299 6.0299 6.1635 6.1635 6.3234 6.3234 6.5266 6.5266 6.8051 6.8051 6.9924 6.9924 7.0141 7.0141 7.0985 7.0985 7.1208 7.1208 7.2008 7.2008 7.4911 7.4911 7.5967 7.5967 7.6413 7.6413 7.6617 7.6617 7.7914 7.7914 7.8267 7.8267 8.0437 8.0437 8.0997 8.0997 8.2799 8.2799 8.2961 8.2961 8.3380 8.3380 9.2266 9.2266 9.3380 9.3380 k = 0.0769 0.1332-0.0000 ( 13397 PWs) bands (ev): -2.2819 -2.2819 -1.0507 -1.0507 0.9649 0.9649 2.3763 2.3763 2.4721 2.4721 3.3070 3.3070 3.3240 3.3240 3.4972 3.4972 4.3900 4.3900 4.7209 4.7209 4.8525 4.8525 4.8631 4.8631 5.1393 5.1393 5.5689 5.5689 5.5797 5.5797 5.8654 5.8654 5.9417 5.9417 6.0029 6.0029 6.2042 6.2042 6.3294 6.3294 6.5305 6.5305 6.7535 6.7535 7.0043 7.0043 7.0112 7.0112 7.1072 7.1072 7.1318 7.1318 7.1925 7.1925 7.4949 7.4949 7.5983 7.5983 7.6123 7.6123 7.6322 7.6322 7.7968 7.7968 7.8430 7.8430 8.0239 8.0239 8.0694 8.0694 8.2730 8.2730 8.2889 8.2889 8.3683 8.3683 9.2399 9.2399 9.3449 9.3449 k = 0.0641 0.1110-0.0000 ( 13397 PWs) bands (ev): -2.2840 -2.2840 -1.0508 -1.0508 0.9601 0.9601 2.4182 2.4182 2.4873 2.4873 3.2948 3.2948 3.3082 3.3082 3.4919 3.4919 4.3599 4.3599 4.7375 4.7375 4.8418 4.8418 4.8521 4.8521 5.1346 5.1346 5.5694 5.5694 5.5800 5.5800 5.8967 5.8967 5.9266 5.9266 5.9876 5.9876 6.2418 6.2418 6.3350 6.3350 6.5338 6.5338 6.7026 6.7026 7.0082 7.0082 7.0097 7.0097 7.1196 7.1196 7.1421 7.1421 7.1854 7.1854 7.4982 7.4982 7.5676 7.5676 7.6004 7.6004 7.6236 7.6236 7.8006 7.8006 7.8584 7.8584 8.0069 8.0069 8.0422 8.0422 8.2644 8.2644 8.2806 8.2806 8.4003 8.4003 9.2520 9.2520 9.3520 9.3520 k = 0.0513 0.0888-0.0000 ( 13401 PWs) bands (ev): -2.2858 -2.2858 -1.0509 -1.0509 0.9562 0.9562 2.4544 2.4544 2.5014 2.5014 3.2826 3.2826 3.2948 3.2948 3.4881 3.4881 4.3330 4.3330 4.7496 4.7496 4.8352 4.8352 4.8445 4.8445 5.1308 5.1308 5.5698 5.5698 5.5803 5.5803 5.8955 5.8955 5.9219 5.9219 5.9986 5.9986 6.2749 6.2749 6.3403 6.3403 6.5365 6.5365 6.6544 6.6544 7.0070 7.0070 7.0096 7.0096 7.1331 7.1331 7.1506 7.1506 7.1798 7.1798 7.4988 7.4988 7.5300 7.5300 7.6020 7.6020 7.6172 7.6172 7.8035 7.8035 7.8716 7.8716 7.9924 7.9924 8.0189 8.0189 8.2569 8.2569 8.2730 8.2730 8.4284 8.4284 9.2621 9.2621 9.3590 9.3590 k = 0.0385 0.0666-0.0000 ( 13395 PWs) bands (ev): -2.2873 -2.2873 -1.0509 -1.0509 0.9533 0.9533 2.4834 2.4834 2.5139 2.5139 3.2718 3.2718 3.2837 3.2837 3.4854 3.4854 4.3106 4.3106 4.7572 4.7572 4.8324 4.8324 4.8395 4.8395 5.1279 5.1279 5.5702 5.5702 5.5806 5.5806 5.8832 5.8832 5.9124 5.9124 6.0289 6.0289 6.3017 6.3017 6.3455 6.3455 6.5385 6.5385 6.6111 6.6111 7.0057 7.0057 7.0082 7.0082 7.1454 7.1454 7.1569 7.1569 7.1759 7.1759 7.4847 7.4847 7.5130 7.5130 7.6032 7.6032 7.6128 7.6128 7.8056 7.8056 7.8822 7.8822 7.9804 7.9804 8.0006 8.0006 8.2511 8.2511 8.2669 8.2669 8.4511 8.4511 9.2699 9.2699 9.3655 9.3655 k = 0.0256 0.0444-0.0000 ( 13381 PWs) bands (ev): -2.2883 -2.2883 -1.0510 -1.0510 0.9512 0.9512 2.5038 2.5038 2.5248 2.5248 3.2634 3.2634 3.2752 3.2752 3.4837 3.4837 4.2938 4.2938 4.7611 4.7611 4.8321 4.8321 4.8365 4.8365 5.1258 5.1258 5.5704 5.5704 5.5808 5.5808 5.8726 5.8726 5.9025 5.9025 6.0590 6.0590 6.3203 6.3203 6.3512 6.3512 6.5393 6.5393 6.5763 6.5763 7.0047 7.0047 7.0066 7.0066 7.1549 7.1549 7.1606 7.1606 7.1740 7.1740 7.4621 7.4621 7.5120 7.5120 7.6038 7.6038 7.6104 7.6104 7.8070 7.8070 7.8899 7.8899 7.9708 7.9708 7.9877 7.9877 8.2469 8.2469 8.2625 8.2625 8.4678 8.4678 9.2753 9.2753 9.3709 9.3709 k = 0.0128 0.0222-0.0000 ( 13393 PWs) bands (ev): -2.2889 -2.2889 -1.0510 -1.0510 0.9499 0.9499 2.5149 2.5149 2.5330 2.5330 3.2580 3.2580 3.2699 3.2699 3.4827 3.4827 4.2834 4.2834 4.7627 4.7627 4.8323 4.8323 4.8354 4.8354 5.1245 5.1245 5.5705 5.5705 5.5809 5.5809 5.8658 5.8658 5.8960 5.8960 6.0805 6.0805 6.3299 6.3299 6.3569 6.3569 6.5375 6.5375 6.5550 6.5550 7.0039 7.0039 7.0057 7.0057 7.1608 7.1608 7.1619 7.1619 7.1738 7.1738 7.4466 7.4466 7.5126 7.5126 7.6038 7.6038 7.6094 7.6094 7.8079 7.8079 7.8946 7.8946 7.9643 7.9643 7.9804 7.9804 8.2444 8.2444 8.2599 8.2599 8.4780 8.4780 9.2785 9.2785 9.3745 9.3745 k = 0.0000 0.0000 0.0000 ( 13387 PWs) bands (ev): -2.2892 -2.2892 -1.0510 -1.0510 0.9495 0.9495 2.5183 2.5183 2.5362 2.5362 3.2562 3.2562 3.2681 3.2681 3.4824 3.4824 4.2799 4.2799 4.7631 4.7631 4.8322 4.8322 4.8353 4.8353 5.1241 5.1241 5.5706 5.5706 5.5809 5.5809 5.8635 5.8635 5.8938 5.8938 6.0882 6.0882 6.3326 6.3326 6.3594 6.3594 6.5346 6.5346 6.5497 6.5497 7.0035 7.0035 7.0054 7.0054 7.1621 7.1621 7.1628 7.1628 7.1740 7.1740 7.4413 7.4413 7.5129 7.5129 7.6037 7.6037 7.6093 7.6093 7.8082 7.8082 7.8961 7.8961 7.9620 7.9620 7.9780 7.9780 8.2436 8.2436 8.2591 8.2591 8.4814 8.4814 9.2795 9.2795 9.3758 9.3758 k = 0.0000 0.0000 0.0000 ( 13387 PWs) bands (ev): -2.2892 -2.2892 -1.0510 -1.0510 0.9495 0.9495 2.5183 2.5183 2.5362 2.5362 3.2562 3.2562 3.2681 3.2681 3.4824 3.4824 4.2799 4.2799 4.7631 4.7631 4.8322 4.8322 4.8353 4.8353 5.1241 5.1241 5.5706 5.5706 5.5809 5.5809 5.8635 5.8635 5.8938 5.8938 6.0882 6.0882 6.3326 6.3326 6.3594 6.3594 6.5346 6.5346 6.5497 6.5497 7.0035 7.0035 7.0054 7.0054 7.1621 7.1621 7.1628 7.1628 7.1740 7.1740 7.4413 7.4413 7.5129 7.5129 7.6037 7.6037 7.6093 7.6093 7.8082 7.8082 7.8961 7.8961 7.9620 7.9620 7.9780 7.9780 8.2436 8.2436 8.2591 8.2591 8.4814 8.4814 9.2795 9.2795 9.3758 9.3758 k = 0.0000 0.0000 0.0258 ( 13393 PWs) bands (ev): -2.2883 -2.2883 -1.0522 -1.0522 0.9508 0.9508 2.5193 2.5193 2.5372 2.5372 3.2574 3.2574 3.2693 3.2693 3.4795 3.4795 4.2821 4.2821 4.7538 4.7538 4.8280 4.8280 4.8313 4.8313 5.1381 5.1381 5.5688 5.5688 5.5791 5.5791 5.8647 5.8647 5.8950 5.8950 6.0899 6.0899 6.3364 6.3364 6.3629 6.3629 6.5352 6.5352 6.5503 6.5503 7.0042 7.0042 7.0062 7.0062 7.1630 7.1630 7.1642 7.1642 7.1750 7.1750 7.4367 7.4367 7.5105 7.5105 7.6025 7.6025 7.6080 7.6080 7.8106 7.8106 7.8977 7.8977 7.9577 7.9577 7.9736 7.9736 8.2473 8.2473 8.2628 8.2628 8.4843 8.4843 9.2807 9.2807 9.3768 9.3768 k = 0.0000 0.0000 0.0517 ( 13399 PWs) bands (ev): -2.2858 -2.2858 -1.0559 -1.0559 0.9546 0.9546 2.5221 2.5221 2.5400 2.5400 3.2609 3.2609 3.2728 3.2728 3.4708 3.4708 4.2886 4.2886 4.7302 4.7302 4.8156 4.8156 4.8195 4.8195 5.1758 5.1758 5.5636 5.5636 5.5737 5.5737 5.8683 5.8683 5.8984 5.8984 6.0949 6.0949 6.3475 6.3475 6.3733 6.3733 6.5369 6.5369 6.5522 6.5522 7.0063 7.0063 7.0086 7.0086 7.1655 7.1655 7.1681 7.1681 7.1778 7.1778 7.4230 7.4230 7.5034 7.5034 7.5989 7.5989 7.6042 7.6042 7.8177 7.8177 7.9025 7.9025 7.9455 7.9455 7.9610 7.9610 8.2578 8.2578 8.2733 8.2733 8.4929 8.4929 9.2841 9.2841 9.3799 9.3799 k = 0.0000 0.0000 0.0775 ( 13405 PWs) bands (ev): -2.2815 -2.2815 -1.0619 -1.0619 0.9609 0.9609 2.5268 2.5268 2.5448 2.5448 3.2667 3.2667 3.2785 3.2785 3.4562 3.4562 4.2995 4.2995 4.7001 4.7001 4.7955 4.7955 4.8002 4.8002 5.2295 5.2295 5.5551 5.5551 5.5648 5.5648 5.8740 5.8740 5.9040 5.9040 6.1030 6.1030 6.3650 6.3650 6.3895 6.3895 6.5403 6.5403 6.5558 6.5558 7.0098 7.0098 7.0125 7.0125 7.1697 7.1697 7.1742 7.1742 7.1826 7.1826 7.4007 7.4007 7.4923 7.4923 7.5931 7.5931 7.5982 7.5982 7.8297 7.8297 7.9104 7.9104 7.9270 7.9270 7.9420 7.9420 8.2733 8.2733 8.2887 8.2887 8.5068 8.5068 9.2898 9.2898 9.3850 9.3850 k = 0.0000 0.0000 0.1034 ( 13351 PWs) bands (ev): -2.2756 -2.2756 -1.0703 -1.0703 0.9697 0.9697 2.5334 2.5334 2.5514 2.5514 3.2747 3.2747 3.2865 3.2865 3.4352 3.4352 4.3147 4.3147 4.6700 4.6700 4.7684 4.7684 4.7743 4.7743 5.2931 5.2931 5.5432 5.5432 5.5525 5.5525 5.8818 5.8818 5.9117 5.9117 6.1142 6.1142 6.3873 6.3873 6.4103 6.4103 6.5460 6.5460 6.5619 6.5619 7.0145 7.0145 7.0179 7.0179 7.1756 7.1756 7.1818 7.1818 7.1892 7.1892 7.3703 7.3703 7.4781 7.4781 7.5855 7.5855 7.5902 7.5902 7.8463 7.8463 7.9040 7.9040 7.9184 7.9184 7.9213 7.9213 8.2920 8.2920 8.3071 8.3071 8.5255 8.5255 9.2977 9.2977 9.3921 9.3921 k = 0.0000 0.0000 0.1292 ( 13338 PWs) bands (ev): -2.2681 -2.2681 -1.0810 -1.0810 0.9810 0.9810 2.5419 2.5419 2.5600 2.5600 3.2850 3.2850 3.2967 3.2967 3.4076 3.4076 4.3342 4.3342 4.6440 4.6440 4.7353 4.7353 4.7424 4.7424 5.3627 5.3627 5.5280 5.5280 5.5370 5.5370 5.8913 5.8913 5.9211 5.9211 6.1281 6.1281 6.4121 6.4121 6.4332 6.4332 6.5557 6.5557 6.5721 6.5721 7.0204 7.0204 7.0247 7.0247 7.1830 7.1830 7.1894 7.1894 7.1975 7.1975 7.3327 7.3327 7.4627 7.4627 7.5766 7.5766 7.5806 7.5806 7.8677 7.8677 7.8780 7.8780 7.8918 7.8918 7.9351 7.9351 8.3121 8.3121 8.3268 8.3268 8.5484 8.5484 9.3079 9.3079 9.4012 9.4012 k = 0.0000 0.0000 0.1551 ( 13350 PWs) bands (ev): -2.2589 -2.2589 -1.0940 -1.0940 0.9948 0.9948 2.5522 2.5522 2.5704 2.5704 3.2973 3.2973 3.3089 3.3089 3.3733 3.3733 4.3578 4.3578 4.6242 4.6242 4.6971 4.6971 4.7057 4.7057 5.4361 5.4361 5.5097 5.5097 5.5183 5.5183 5.9024 5.9024 5.9323 5.9323 6.1446 6.1446 6.4358 6.4358 6.4550 6.4550 6.5717 6.5717 6.5884 6.5884 7.0275 7.0275 7.0327 7.0327 7.1919 7.1919 7.1948 7.1948 7.2076 7.2076 7.2887 7.2887 7.4486 7.4486 7.5668 7.5668 7.5702 7.5702 7.8502 7.8502 7.8632 7.8632 7.8935 7.8935 7.9516 7.9516 8.3324 8.3324 8.3465 8.3465 8.5748 8.5748 9.3204 9.3204 9.4124 9.4124 k = 0.0000 0.0000 0.1809 ( 13374 PWs) bands (ev): -2.2480 -2.2480 -1.1091 -1.1091 1.0110 1.0110 2.5644 2.5644 2.5827 2.5827 3.3116 3.3116 3.3231 3.3231 3.3324 3.3324 4.3854 4.3854 4.6121 4.6121 4.6549 4.6549 4.6649 4.6649 5.4883 5.4883 5.4961 5.4961 5.5124 5.5124 5.9149 5.9149 5.9448 5.9448 6.1631 6.1631 6.4549 6.4549 6.4726 6.4726 6.5965 6.5965 6.6132 6.6132 7.0354 7.0354 7.0417 7.0417 7.1946 7.1946 7.2021 7.2021 7.2192 7.2192 7.2391 7.2391 7.4396 7.4396 7.5568 7.5568 7.5594 7.5594 7.8211 7.8211 7.8334 7.8334 7.9236 7.9236 7.9708 7.9708 8.3520 8.3520 8.3653 8.3653 8.6042 8.6042 9.3349 9.3349 9.4254 9.4254 k = 0.0000 0.0000 0.2067 ( 13404 PWs) bands (ev): -2.2356 -2.2356 -1.1262 -1.1262 1.0298 1.0298 2.5785 2.5785 2.5968 2.5968 3.2850 3.2850 3.3276 3.3276 3.3390 3.3390 4.4171 4.4171 4.6083 4.6083 4.6097 4.6097 4.6211 4.6211 5.4638 5.4638 5.4716 5.4716 5.5894 5.5894 5.9287 5.9287 5.9587 5.9587 6.1831 6.1831 6.4679 6.4679 6.4849 6.4849 6.6309 6.6309 6.6468 6.6468 7.0442 7.0442 7.0516 7.0516 7.1794 7.1794 7.1912 7.1912 7.2136 7.2136 7.2323 7.2323 7.4393 7.4393 7.5475 7.5475 7.5491 7.5491 7.7914 7.7914 7.8030 7.8030 7.9570 7.9570 7.9929 7.9929 8.3700 8.3700 8.3823 8.3823 8.6360 8.6360 9.3515 9.3515 9.4403 9.4403 k = 0.0000 0.0000 0.2326 ( 13410 PWs) bands (ev): -2.2216 -2.2216 -1.1453 -1.1453 1.0510 1.0510 2.5944 2.5944 2.6128 2.6128 3.2318 3.2318 3.3452 3.3452 3.3564 3.3564 4.4525 4.4525 4.5624 4.5624 4.5752 4.5752 4.6127 4.6127 5.4362 5.4362 5.4437 5.4437 5.6675 5.6675 5.9435 5.9435 5.9737 5.9737 6.2040 6.2040 6.4756 6.4756 6.4923 6.4923 6.6729 6.6729 6.6876 6.6876 7.0537 7.0537 7.0622 7.0622 7.1236 7.1236 7.1695 7.1695 7.2262 7.2262 7.2465 7.2465 7.4497 7.4497 7.5395 7.5395 7.5400 7.5400 7.7615 7.7615 7.7723 7.7723 7.9914 7.9914 8.0201 8.0201 8.3859 8.3859 8.3971 8.3971 8.6699 8.6699 9.3698 9.3698 9.4569 9.4569 k = 0.0000 0.0000 0.2584 ( 13422 PWs) bands (ev): -2.2061 -2.2061 -1.1663 -1.1663 1.0747 1.0747 2.6122 2.6122 2.6307 2.6307 3.1735 3.1735 3.3641 3.3641 3.3751 3.3751 4.4916 4.4916 4.5140 4.5140 4.5280 4.5280 4.6251 4.6251 5.4056 5.4056 5.4128 5.4128 5.7458 5.7458 5.9592 5.9592 5.9897 5.9897 6.2250 6.2250 6.4795 6.4795 6.4964 6.4964 6.7202 6.7202 6.7334 6.7334 7.0608 7.0608 7.0636 7.0636 7.0732 7.0732 7.1425 7.1425 7.2396 7.2396 7.2616 7.2616 7.4702 7.4702 7.5328 7.5328 7.5336 7.5336 7.7317 7.7317 7.7418 7.7418 8.0219 8.0219 8.0566 8.0566 8.3992 8.3992 8.4091 8.4091 8.7054 8.7054 9.3898 9.3898 9.4749 9.4749 k = 0.0000 0.0000 0.2843 ( 13380 PWs) bands (ev): -2.1890 -2.1890 -1.1890 -1.1890 1.1008 1.1008 2.6317 2.6317 2.6503 2.6503 3.1106 3.1106 3.3839 3.3839 3.3946 3.3946 4.4654 4.4654 4.4804 4.4804 4.5343 4.5343 4.6450 4.6450 5.3718 5.3718 5.3788 5.3788 5.8241 5.8241 5.9758 5.9758 6.0066 6.0066 6.2450 6.2450 6.4808 6.4808 6.4982 6.4982 6.7708 6.7708 6.7824 6.7824 6.9947 6.9947 7.0739 7.0739 7.0845 7.0845 7.1100 7.1100 7.2537 7.2537 7.2774 7.2774 7.4987 7.4987 7.5285 7.5285 7.5307 7.5307 7.7021 7.7021 7.7116 7.7116 8.0480 8.0480 8.1022 8.1022 8.4093 8.4093 8.4178 8.4178 8.7421 8.7421 9.4110 9.4110 9.4942 9.4942 k = 0.0000 0.0000 0.3101 ( 13416 PWs) bands (ev): -2.1706 -2.1706 -1.2134 -1.2134 1.1293 1.1293 2.6531 2.6531 2.6718 2.6718 3.0441 3.0441 3.4042 3.4042 3.4144 3.4144 4.4175 4.4175 4.4334 4.4334 4.5803 4.5803 4.6720 4.6720 5.3350 5.3350 5.3419 5.3419 5.9019 5.9019 5.9933 5.9933 6.0243 6.0243 6.2627 6.2627 6.4803 6.4803 6.4981 6.4981 6.8231 6.8231 6.8334 6.8334 6.9257 6.9257 7.0749 7.0749 7.0844 7.0844 7.0958 7.0958 7.2682 7.2682 7.2933 7.2933 7.5278 7.5278 7.5313 7.5313 7.5331 7.5331 7.6731 7.6731 7.6819 7.6819 8.0719 8.0719 8.1538 8.1538 8.4159 8.4159 8.4231 8.4231 8.7799 8.7799 9.4332 9.4332 9.5144 9.5144 k = 0.0000 0.0000 0.3360 ( 13446 PWs) bands (ev): -2.1507 -2.1507 -1.2392 -1.2392 1.1602 1.1602 2.6762 2.6762 2.6950 2.6950 2.9746 2.9746 3.4243 3.4243 3.4340 3.4340 4.3714 4.3714 4.3880 4.3880 4.6295 4.6295 4.7053 4.7053 5.2953 5.2953 5.3021 5.3021 5.9786 5.9786 6.0119 6.0119 6.0426 6.0426 6.2767 6.2767 6.4782 6.4782 6.4966 6.4966 6.8532 6.8532 6.8771 6.8771 6.8853 6.8853 7.0398 7.0398 7.0950 7.0950 7.1069 7.1069 7.2829 7.2829 7.3091 7.3091 7.5314 7.5314 7.5361 7.5361 7.5718 7.5718 7.6446 7.6446 7.6530 7.6530 8.0945 8.0945 8.2100 8.2100 8.4188 8.4188 8.4245 8.4245 8.8184 8.8184 9.4560 9.4560 9.5351 9.5351 k = 0.0000 0.0000 0.3618 ( 13410 PWs) bands (ev): -2.1295 -2.1295 -1.2664 -1.2664 1.1935 1.1935 2.7011 2.7011 2.7200 2.7200 2.9029 2.9029 3.4435 3.4435 3.4524 3.4524 4.3282 4.3282 4.3452 4.3452 4.6816 4.6816 4.7443 4.7443 5.2526 5.2526 5.2595 5.2595 6.0281 6.0281 6.0574 6.0574 6.0614 6.0614 6.2850 6.2850 6.4747 6.4747 6.4938 6.4938 6.7802 6.7802 6.9289 6.9289 6.9373 6.9373 7.0078 7.0078 7.1057 7.1057 7.1178 7.1178 7.2977 7.2977 7.3244 7.3244 7.5397 7.5397 7.5453 7.5453 7.6123 7.6123 7.6171 7.6171 7.6261 7.6261 8.1154 8.1154 8.2702 8.2702 8.4176 8.4176 8.4220 8.4220 8.8572 8.8572 9.4790 9.4790 9.5561 9.5561 k = 0.0000 0.0000 0.3876 ( 13422 PWs) bands (ev): -2.1069 -2.1069 -1.2949 -1.2949 1.2291 1.2291 2.7277 2.7277 2.7466 2.7466 2.8296 2.8296 3.4608 3.4608 3.4687 3.4687 4.2891 4.2891 4.3062 4.3062 4.7364 4.7364 4.7886 4.7886 5.2072 5.2072 5.2143 5.2143 6.0479 6.0479 6.0807 6.0807 6.1320 6.1320 6.2859 6.2859 6.4699 6.4699 6.4899 6.4899 6.7049 6.7049 6.9692 6.9692 6.9886 6.9886 6.9916 6.9916 7.1163 7.1163 7.1284 7.1284 7.3125 7.3125 7.3391 7.3391 7.5528 7.5528 7.5590 7.5590 7.5906 7.5906 7.5973 7.5973 7.6575 7.6575 8.1342 8.1342 8.3338 8.3338 8.4122 8.4122 8.4154 8.4154 8.8962 8.8962 9.5021 9.5021 9.5771 9.5771 k = 0.0000 0.0000 0.4135 ( 13434 PWs) bands (ev): -2.0831 -2.0831 -1.3244 -1.3244 1.2670 1.2670 2.7532 2.7532 2.7579 2.7579 2.7750 2.7750 3.4751 3.4751 3.4817 3.4817 4.2556 4.2556 4.2724 4.2724 4.7935 4.7935 4.8376 4.8376 5.1592 5.1592 5.1668 5.1668 6.0674 6.0674 6.1004 6.1004 6.2061 6.2061 6.2776 6.2776 6.4638 6.4638 6.4847 6.4847 6.6281 6.6281 6.9545 6.9545 7.0352 7.0352 7.0385 7.0385 7.1270 7.1270 7.1387 7.1387 7.3274 7.3274 7.3531 7.3531 7.5627 7.5627 7.5716 7.5716 7.5733 7.5733 7.5773 7.5773 7.7016 7.7016 8.1504 8.1504 8.4004 8.4004 8.4025 8.4025 8.4046 8.4046 8.9349 8.9349 9.5250 9.5250 9.5980 9.5980 k = 0.0000 0.0000 0.4393 ( 13440 PWs) bands (ev): -2.0581 -2.0581 -1.3550 -1.3550 1.3073 1.3073 2.6799 2.6799 2.7860 2.7860 2.8050 2.8050 3.4850 3.4850 3.4900 3.4900 4.2293 4.2293 4.2453 4.2453 4.8523 4.8523 4.8909 4.8909 5.1089 5.1089 5.1176 5.1176 6.0872 6.0872 6.1204 6.1204 6.2589 6.2589 6.2788 6.2788 6.4564 6.4564 6.4784 6.4784 6.5502 6.5502 6.9406 6.9406 7.0831 7.0831 7.0864 7.0864 7.1379 7.1379 7.1488 7.1488 7.3422 7.3422 7.3665 7.3665 7.5399 7.5399 7.5472 7.5472 7.5945 7.5945 7.5997 7.5997 7.7455 7.7455 8.1636 8.1636 8.3885 8.3885 8.3896 8.3896 8.4695 8.4695 8.9729 8.9729 9.5479 9.5479 9.6187 9.6187 k = 0.0000 0.0000 0.4652 ( 13416 PWs) bands (ev): -2.0320 -2.0320 -1.3864 -1.3864 1.3499 1.3499 2.6045 2.6045 2.8175 2.8175 2.8366 2.8366 3.4894 3.4894 3.4922 3.4922 4.2115 4.2115 4.2262 4.2262 4.9112 4.9112 4.9480 4.9480 5.0565 5.0565 5.0684 5.0684 6.1072 6.1072 6.1405 6.1405 6.2298 6.2298 6.3498 6.3498 6.4467 6.4467 6.4710 6.4710 6.4724 6.4724 6.9334 6.9334 7.1285 7.1285 7.1307 7.1307 7.1497 7.1497 7.1589 7.1589 7.3570 7.3570 7.3795 7.3795 7.5171 7.5171 7.5243 7.5243 7.6211 7.6211 7.6258 7.6258 7.7882 7.7882 8.1734 8.1734 8.3703 8.3703 8.3705 8.3705 8.5405 8.5405 9.0098 9.0098 9.5711 9.5711 9.6397 9.6397 k = 0.0000 0.0000 0.4910 ( 13440 PWs) bands (ev): -2.0048 -2.0048 -1.4186 -1.4186 1.3947 1.3947 2.5292 2.5292 2.8506 2.8506 2.8697 2.8697 3.4871 3.4871 3.4875 3.4875 4.2033 4.2033 4.2163 4.2163 4.9587 4.9587 5.0022 5.0022 5.0073 5.0073 5.0321 5.0321 6.1274 6.1274 6.1608 6.1608 6.1909 6.1909 6.3897 6.3897 6.4189 6.4189 6.4398 6.4398 6.4624 6.4624 6.9321 6.9321 7.1576 7.1576 7.1690 7.1690 7.1703 7.1703 7.1757 7.1757 7.3716 7.3716 7.3920 7.3920 7.4961 7.4961 7.5034 7.5034 7.6514 7.6514 7.6554 7.6554 7.8290 7.8290 8.1794 8.1794 8.3475 8.3475 8.3479 8.3479 8.6127 8.6127 9.0449 9.0449 9.5950 9.5950 9.6613 9.6613 k = 0.0000 0.0000 0.5169 ( 13416 PWs) bands (ev): -1.9765 -1.9765 -1.4514 -1.4514 1.4417 1.4417 2.4543 2.4543 2.8852 2.8852 2.9042 2.9042 3.4753 3.4753 3.4775 3.4775 4.2052 4.2052 4.2163 4.2163 4.9392 4.9392 4.9465 4.9465 5.0575 5.0575 5.0752 5.0752 6.1435 6.1435 6.1477 6.1477 6.1811 6.1811 6.3097 6.3097 6.4286 6.4286 6.4526 6.4526 6.4858 6.4858 6.9349 6.9349 7.1698 7.1698 7.1793 7.1793 7.2075 7.2075 7.2122 7.2122 7.3859 7.3859 7.4042 7.4042 7.4772 7.4772 7.4848 7.4848 7.6847 7.6847 7.6878 7.6878 7.8671 7.8671 8.1816 8.1816 8.3207 8.3207 8.3215 8.3215 8.6852 8.6852 9.0775 9.0775 9.6204 9.6204 9.6843 9.6843 k = 0.0000 0.0000 0.5427 ( 13428 PWs) bands (ev): -1.9474 -1.9474 -1.4847 -1.4847 1.4909 1.4909 2.3800 2.3800 2.9212 2.9212 2.9402 2.9402 3.4559 3.4559 3.4608 3.4608 4.2171 4.2171 4.2262 4.2262 4.8876 4.8876 4.8896 4.8896 5.1197 5.1197 5.1417 5.1417 6.0892 6.0892 6.1681 6.1681 6.2015 6.2015 6.2289 6.2289 6.4167 6.4167 6.4417 6.4417 6.5500 6.5500 6.9397 6.9397 7.1815 7.1815 7.1898 7.1898 7.2390 7.2390 7.2441 7.2441 7.3996 7.3996 7.4157 7.4157 7.4613 7.4613 7.4691 7.4691 7.7205 7.7205 7.7229 7.7229 7.9022 7.9022 8.1798 8.1798 8.2905 8.2905 8.2915 8.2915 8.7571 8.7571 9.1070 9.1070 9.6479 9.6479 9.7095 9.7095 k = 0.0000 0.0000 0.5685 ( 13416 PWs) bands (ev): -1.9173 -1.9173 -1.5184 -1.5184 1.5423 1.5423 2.3066 2.3066 2.9586 2.9586 2.9774 2.9774 3.4301 3.4301 3.4375 3.4375 4.2381 4.2381 4.2452 4.2452 4.8314 4.8314 4.8319 4.8319 5.1865 5.1865 5.2111 5.2111 6.0296 6.0296 6.1478 6.1478 6.1885 6.1885 6.2217 6.2217 6.4038 6.4038 6.4296 6.4296 6.6111 6.6111 6.9443 6.9443 7.1934 7.1934 7.2006 7.2006 7.2638 7.2638 7.2693 7.2693 7.4125 7.4125 7.4264 7.4264 7.4492 7.4492 7.4572 7.4572 7.7586 7.7586 7.7601 7.7601 7.9342 7.9342 8.1742 8.1742 8.2572 8.2572 8.2583 8.2583 8.8272 8.8272 9.1323 9.1323 9.6785 9.6785 9.7377 9.7377 k = 0.0000 0.0000 0.5944 ( 13416 PWs) bands (ev): -1.8865 -1.8865 -1.5524 -1.5524 1.5957 1.5957 2.2343 2.2343 2.9971 2.9971 3.0157 3.0157 3.3991 3.3991 3.4086 3.4086 4.2670 4.2670 4.2724 4.2724 4.7737 4.7737 4.7739 4.7739 5.2553 5.2553 5.2829 5.2829 5.9657 5.9657 6.0665 6.0665 6.2088 6.2088 6.2418 6.2418 6.3898 6.3898 6.4165 6.4165 6.6688 6.6688 6.9468 6.9468 7.2056 7.2056 7.2118 7.2118 7.2807 7.2807 7.2863 7.2863 7.4241 7.4241 7.4359 7.4359 7.4422 7.4422 7.4497 7.4497 7.7984 7.7984 7.7992 7.7992 7.9631 7.9631 8.1652 8.1652 8.2212 8.2212 8.2221 8.2221 8.8944 8.8944 9.1523 9.1523 9.7128 9.7128 9.7696 9.7696 k = 0.0000 0.0000 0.6202 ( 13416 PWs) bands (ev): -1.8550 -1.8550 -1.5866 -1.5866 1.6513 1.6513 2.1631 2.1631 3.0368 3.0368 3.0551 3.0551 3.3640 3.3640 3.3754 3.3754 4.3026 4.3026 4.3066 4.3066 4.7155 4.7155 4.7160 4.7160 5.3256 5.3256 5.3564 5.3564 5.8988 5.8988 5.9854 5.9854 6.2290 6.2290 6.2616 6.2616 6.3748 6.3748 6.4024 6.4024 6.7223 6.7223 6.9458 6.9458 7.2181 7.2181 7.2231 7.2231 7.2894 7.2894 7.2944 7.2944 7.4343 7.4343 7.4400 7.4400 7.4445 7.4445 7.4469 7.4469 7.8397 7.8397 7.8398 7.8398 7.9892 7.9892 8.1530 8.1530 8.1831 8.1831 8.1835 8.1835 8.9571 8.9571 9.1661 9.1661 9.7514 9.7514 9.8060 9.8060 k = 0.0000 0.0000 0.6461 ( 13428 PWs) bands (ev): -1.8228 -1.8228 -1.6209 -1.6209 1.7089 1.7089 2.0933 2.0933 3.0774 3.0774 3.0954 3.0954 3.3259 3.3259 3.3390 3.3390 4.3437 4.3437 4.3465 4.3465 4.6578 4.6578 4.6582 4.6582 5.3969 5.3969 5.4316 5.4316 5.8295 5.8295 5.9044 5.9044 6.2489 6.2489 6.2812 6.2812 6.3589 6.3589 6.3873 6.3873 6.7712 6.7712 6.9397 6.9397 7.2307 7.2307 7.2347 7.2347 7.2906 7.2906 7.2944 7.2944 7.4425 7.4425 7.4428 7.4428 7.4477 7.4477 7.4505 7.4505 7.8814 7.8814 7.8824 7.8824 8.0129 8.0129 8.1383 8.1383 8.1430 8.1430 8.1436 8.1436 9.0139 9.0139 9.1723 9.1723 9.7948 9.7948 9.8473 9.8473 k = 0.0000 0.0000 0.6719 ( 13440 PWs) bands (ev): -1.7900 -1.7900 -1.6551 -1.6551 1.7684 1.7684 2.0250 2.0250 3.1188 3.1188 3.1363 3.1363 3.2859 3.2859 3.3003 3.3003 4.3894 4.3894 4.3912 4.3912 4.6008 4.6008 4.6010 4.6010 5.4690 5.4690 5.5081 5.5081 5.7587 5.7587 5.8238 5.8238 6.2686 6.2686 6.3003 6.3003 6.3422 6.3422 6.3714 6.3714 6.8149 6.8149 6.9278 6.9278 7.2434 7.2434 7.2463 7.2463 7.2863 7.2863 7.2886 7.2886 7.4477 7.4477 7.4486 7.4486 7.4503 7.4503 7.4546 7.4546 7.9239 7.9239 7.9258 7.9258 8.0333 8.0333 8.1008 8.1008 8.1043 8.1043 8.1216 8.1216 9.0635 9.0635 9.1699 9.1699 9.8432 9.8432 9.8936 9.8936 k = 0.0000 0.0000 0.6977 ( 13428 PWs) bands (ev): -1.7568 -1.7568 -1.6893 -1.6893 1.8299 1.8299 1.9582 1.9582 3.1606 3.1606 3.1776 3.1776 3.2446 3.2446 3.2601 3.2601 4.4386 4.4386 4.4397 4.4397 4.5450 4.5450 4.5451 4.5451 5.5415 5.5415 5.5857 5.5857 5.6868 5.6868 5.7437 5.7437 6.2878 6.2878 6.3190 6.3190 6.3247 6.3247 6.3546 6.3546 6.8528 6.8528 6.9094 6.9094 7.2560 7.2560 7.2578 7.2578 7.2785 7.2785 7.2794 7.2794 7.4523 7.4523 7.4523 7.4523 7.4527 7.4527 7.4562 7.4562 7.9665 7.9665 7.9697 7.9697 8.0396 8.0396 8.0576 8.0576 8.0769 8.0769 8.1037 8.1037 9.1046 9.1046 9.1580 9.1580 9.8969 9.8969 9.9451 9.9451 k = 0.0000 0.0000 0.7236 ( 13428 PWs) bands (ev): -1.7232 -1.7232 -1.7232 -1.7232 1.8932 1.8932 1.8932 1.8932 3.2027 3.2027 3.2027 3.2027 3.2190 3.2190 3.2190 3.2190 4.4907 4.4907 4.4907 4.4907 4.4912 4.4912 4.4912 4.4912 5.6142 5.6142 5.6142 5.6142 5.6643 5.6643 5.6643 5.6643 6.3065 6.3065 6.3065 6.3065 6.3371 6.3371 6.3371 6.3371 6.8844 6.8844 6.8844 6.8844 7.2682 7.2682 7.2682 7.2682 7.2687 7.2687 7.2687 7.2687 7.4536 7.4536 7.4536 7.4536 7.4554 7.4554 7.4554 7.4554 8.0080 8.0080 8.0080 8.0080 8.0138 8.0138 8.0138 8.0138 8.0860 8.0860 8.0860 8.0860 9.1363 9.1363 9.1363 9.1363 9.9556 9.9556 9.9556 9.9556 k = 0.0000 0.0000 0.7236 ( 13428 PWs) bands (ev): -1.7232 -1.7232 -1.7232 -1.7232 1.8932 1.8932 1.8932 1.8932 3.2027 3.2027 3.2027 3.2027 3.2190 3.2190 3.2190 3.2190 4.4907 4.4907 4.4907 4.4907 4.4912 4.4912 4.4912 4.4912 5.6142 5.6142 5.6142 5.6142 5.6643 5.6643 5.6643 5.6643 6.3065 6.3065 6.3065 6.3065 6.3371 6.3371 6.3371 6.3371 6.8844 6.8844 6.8844 6.8844 7.2682 7.2682 7.2682 7.2682 7.2687 7.2687 7.2687 7.2687 7.4536 7.4536 7.4536 7.4536 7.4554 7.4554 7.4554 7.4554 8.0080 8.0080 8.0080 8.0080 8.0138 8.0138 8.0138 8.0138 8.0860 8.0860 8.0860 8.0860 9.1363 9.1363 9.1363 9.1363 9.9556 9.9556 9.9556 9.9556 k = 0.0217 0.0126 0.7236 ( 13440 PWs) bands (ev): -1.7231 -1.7231 -1.7231 -1.7231 1.8941 1.8941 1.8941 1.8941 3.2011 3.2011 3.2012 3.2012 3.2174 3.2174 3.2175 3.2175 4.4906 4.4906 4.4909 4.4909 4.4924 4.4924 4.4926 4.4926 5.6140 5.6140 5.6140 5.6140 5.6670 5.6670 5.6670 5.6670 6.3055 6.3055 6.3056 6.3056 6.3362 6.3362 6.3364 6.3364 6.8871 6.8871 6.8872 6.8872 7.2607 7.2607 7.2627 7.2627 7.2646 7.2646 7.2666 7.2666 7.4554 7.4554 7.4554 7.4554 7.4598 7.4598 7.4599 7.4599 8.0089 8.0089 8.0091 8.0091 8.0148 8.0148 8.0150 8.0150 8.0872 8.0872 8.0872 8.0872 9.1373 9.1373 9.1373 9.1373 9.9489 9.9489 9.9492 9.9492 k = 0.0435 0.0251 0.7236 ( 13434 PWs) bands (ev): -1.7231 -1.7231 -1.7231 -1.7231 1.8970 1.8970 1.8970 1.8970 3.1962 3.1962 3.1966 3.1966 3.2129 3.2129 3.2133 3.2133 4.4909 4.4909 4.4915 4.4915 4.4959 4.4959 4.4966 4.4966 5.6131 5.6131 5.6132 5.6132 5.6751 5.6751 5.6751 5.6751 6.3007 6.3007 6.3020 6.3020 6.3346 6.3346 6.3359 6.3359 6.8950 6.8950 6.8951 6.8951 7.2420 7.2420 7.2455 7.2455 7.2550 7.2550 7.2589 7.2589 7.4618 7.4618 7.4624 7.4624 7.4697 7.4697 7.4707 7.4707 8.0113 8.0113 8.0124 8.0124 8.0180 8.0180 8.0191 8.0191 8.0909 8.0909 8.0909 8.0909 9.1404 9.1404 9.1404 9.1404 9.9296 9.9296 9.9313 9.9313 k = 0.0652 0.0377 0.7236 ( 13424 PWs) bands (ev): -1.7229 -1.7229 -1.7229 -1.7229 1.9018 1.9018 1.9018 1.9018 3.1872 3.1872 3.1884 3.1884 3.2059 3.2059 3.2072 3.2072 4.4913 4.4913 4.4924 4.4924 4.5019 4.5019 4.5031 4.5031 5.6115 5.6115 5.6117 5.6117 5.6884 5.6884 5.6886 5.6886 6.2903 6.2903 6.2936 6.2936 6.3352 6.3352 6.3383 6.3383 6.9071 6.9071 6.9072 6.9072 7.2149 7.2149 7.2187 7.2187 7.2421 7.2421 7.2468 7.2468 7.4707 7.4707 7.4733 7.4733 7.4826 7.4826 7.4860 7.4860 8.0148 8.0148 8.0173 8.0173 8.0239 8.0239 8.0263 8.0263 8.0968 8.0968 8.0969 8.0969 9.1455 9.1455 9.1456 9.1456 9.8999 9.8999 9.9044 9.9044 k = 0.0870 0.0502 0.7236 ( 13424 PWs) bands (ev): -1.7227 -1.7227 -1.7227 -1.7227 1.9085 1.9085 1.9085 1.9085 3.1738 3.1738 3.1759 3.1759 3.1975 3.1975 3.1998 3.1998 4.4919 4.4919 4.4933 4.4933 4.5108 4.5108 4.5124 4.5124 5.6089 5.6089 5.6093 5.6093 5.7067 5.7067 5.7071 5.7071 6.2746 6.2746 6.2798 6.2798 6.3393 6.3393 6.3442 6.3442 6.9218 6.9218 6.9222 6.9222 7.1819 7.1819 7.1853 7.1853 7.2273 7.2273 7.2321 7.2321 7.4802 7.4802 7.4853 7.4853 7.4979 7.4979 7.5044 7.5044 8.0198 8.0198 8.0235 8.0235 8.0330 8.0330 8.0365 8.0365 8.1047 8.1047 8.1049 8.1049 9.1528 9.1528 9.1529 9.1529 9.8626 9.8626 9.8704 9.8704 k = 0.1087 0.0628 0.7236 ( 13408 PWs) bands (ev): -1.7224 -1.7224 -1.7224 -1.7224 1.9171 1.9171 1.9171 1.9171 3.1560 3.1560 3.1588 3.1588 3.1884 3.1884 3.1914 3.1914 4.4924 4.4924 4.4941 4.4941 4.5226 4.5226 4.5248 4.5248 5.6055 5.6055 5.6060 5.6060 5.7295 5.7295 5.7302 5.7302 6.2550 6.2550 6.2621 6.2621 6.3465 6.3465 6.3529 6.3529 6.9370 6.9370 6.9381 6.9381 7.1455 7.1455 7.1477 7.1477 7.2116 7.2116 7.2161 7.2161 7.4894 7.4894 7.4965 7.4965 7.5153 7.5153 7.5244 7.5244 8.0266 8.0266 8.0311 8.0311 8.0451 8.0451 8.0493 8.0493 8.1142 8.1142 8.1145 8.1145 9.1623 9.1623 9.1625 9.1625 9.8200 9.8200 9.8310 9.8310 k = 0.1304 0.0753 0.7236 ( 13406 PWs) bands (ev): -1.7221 -1.7221 -1.7221 -1.7221 1.9276 1.9276 1.9276 1.9276 3.1340 3.1340 3.1373 3.1373 3.1786 3.1786 3.1822 3.1822 4.4928 4.4928 4.4947 4.4947 4.5376 4.5376 4.5403 4.5403 5.6010 5.6010 5.6017 5.6017 5.7562 5.7562 5.7572 5.7572 6.2330 6.2330 6.2417 6.2417 6.3565 6.3565 6.3641 6.3641 6.9498 6.9498 6.9521 6.9521 7.1085 7.1085 7.1089 7.1089 7.1959 7.1959 7.1997 7.1997 7.4979 7.4979 7.5064 7.5064 7.5340 7.5340 7.5450 7.5450 8.0357 8.0357 8.0406 8.0406 8.0600 8.0600 8.0644 8.0644 8.1252 8.1252 8.1256 8.1256 9.1741 9.1741 9.1744 9.1744 9.7742 9.7743 9.7875 9.7875 k = 0.1522 0.0879 0.7236 ( 13416 PWs) bands (ev): -1.7218 -1.7218 -1.7218 -1.7218 1.9400 1.9400 1.9400 1.9400 3.1083 3.1083 3.1118 3.1118 3.1684 3.1684 3.1723 3.1723 4.4930 4.4930 4.4950 4.4950 4.5558 4.5558 4.5591 4.5591 5.5955 5.5955 5.5964 5.5964 5.7862 5.7862 5.7876 5.7876 6.2093 6.2093 6.2197 6.2197 6.3689 6.3689 6.3775 6.3775 6.9546 6.9546 6.9590 6.9590 7.0737 7.0737 7.0763 7.0763 7.1805 7.1805 7.1836 7.1836 7.5058 7.5058 7.5153 7.5153 7.5528 7.5528 7.5654 7.5654 8.0474 8.0474 8.0523 8.0523 8.0773 8.0773 8.0814 8.0814 8.1375 8.1375 8.1381 8.1381 9.1882 9.1882 9.1887 9.1887 9.7269 9.7269 9.7415 9.7415 k = 0.1739 0.1004 0.7236 ( 13432 PWs) bands (ev): -1.7214 -1.7214 -1.7214 -1.7214 1.9543 1.9543 1.9543 1.9543 3.0792 3.0792 3.0826 3.0826 3.1578 3.1578 3.1618 3.1618 4.4928 4.4928 4.4950 4.4950 4.5772 4.5772 4.5812 4.5812 5.5889 5.5889 5.5901 5.5901 5.8187 5.8187 5.8206 5.8206 6.1849 6.1849 6.1968 6.1968 6.3835 6.3835 6.3930 6.3930 6.9428 6.9428 6.9492 6.9492 7.0515 7.0515 7.0570 7.0570 7.1660 7.1660 7.1683 7.1683 7.5134 7.5134 7.5234 7.5234 7.5712 7.5712 7.5848 7.5848 8.0618 8.0618 8.0664 8.0664 8.0966 8.0966 8.0999 8.0999 8.1514 8.1514 8.1518 8.1518 9.2047 9.2047 9.2054 9.2054 9.6793 9.6793 9.6943 9.6943 k = 0.1957 0.1130 0.7236 ( 13422 PWs) bands (ev): -1.7210 -1.7210 -1.7210 -1.7210 1.9704 1.9704 1.9704 1.9704 3.0469 3.0469 3.0503 3.0503 3.1471 3.1471 3.1511 3.1511 4.4924 4.4924 4.4946 4.4946 4.6017 4.6017 4.6064 4.6064 5.5812 5.5812 5.5826 5.5826 5.8530 5.8530 5.8555 5.8555 6.1603 6.1603 6.1735 6.1735 6.4004 6.4004 6.4105 6.4105 6.9124 6.9124 6.9186 6.9186 7.0463 7.0463 7.0524 7.0524 7.1524 7.1524 7.1542 7.1542 7.5208 7.5208 7.5309 7.5309 7.5887 7.5887 7.6030 7.6030 8.0791 8.0791 8.0828 8.0828 8.1175 8.1175 8.1193 8.1193 8.1673 8.1673 8.1674 8.1674 9.2235 9.2235 9.2246 9.2246 9.6325 9.6325 9.6470 9.6470 k = 0.2174 0.1255 0.7236 ( 13426 PWs) bands (ev): -1.7206 -1.7206 -1.7206 -1.7206 1.9883 1.9883 1.9883 1.9883 3.0120 3.0120 3.0152 3.0152 3.1363 3.1363 3.1403 3.1403 4.4917 4.4917 4.4939 4.4939 4.6292 4.6292 4.6346 4.6346 5.5721 5.5721 5.5738 5.5738 5.8884 5.8884 5.8917 5.8917 6.1358 6.1358 6.1503 6.1503 6.4194 6.4194 6.4300 6.4300 6.8717 6.8717 6.8765 6.8765 7.0486 7.0486 7.0539 7.0539 7.1402 7.1402 7.1416 7.1416 7.5279 7.5279 7.5381 7.5381 7.6048 7.6048 7.6197 7.6197 8.0987 8.0987 8.1008 8.1008 8.1391 8.1391 8.1397 8.1397 8.1856 8.1856 8.1862 8.1862 9.2445 9.2445 9.2460 9.2460 9.5874 9.5874 9.6002 9.6002 k = 0.2391 0.1381 0.7236 ( 13410 PWs) bands (ev): -1.7202 -1.7202 -1.7202 -1.7202 2.0079 2.0079 2.0079 2.0079 2.9749 2.9749 2.9778 2.9778 3.1257 3.1257 3.1296 3.1296 4.4907 4.4907 4.4929 4.4929 4.6595 4.6595 4.6655 4.6655 5.5615 5.5615 5.5637 5.5637 5.9242 5.9242 5.9283 5.9283 6.1119 6.1119 6.1274 6.1274 6.4404 6.4404 6.4514 6.4514 6.8272 6.8272 6.8304 6.8304 7.0511 7.0511 7.0552 7.0552 7.1294 7.1294 7.1310 7.1310 7.5349 7.5349 7.5448 7.5448 7.6196 7.6196 7.6346 7.6346 8.1189 8.1189 8.1190 8.1190 8.1598 8.1598 8.1635 8.1635 8.2074 8.2074 8.2088 8.2088 9.2675 9.2675 9.2696 9.2696 9.5447 9.5447 9.5544 9.5544 k = 0.2609 0.1506 0.7236 ( 13406 PWs) bands (ev): -1.7197 -1.7197 -1.7197 -1.7197 2.0292 2.0292 2.0292 2.0292 2.9359 2.9359 2.9386 2.9386 3.1155 3.1155 3.1191 3.1191 4.4895 4.4895 4.4916 4.4916 4.6922 4.6922 4.6989 4.6989 5.5494 5.5494 5.5520 5.5520 5.9598 5.9598 5.9647 5.9647 6.0890 6.0890 6.1052 6.1052 6.4631 6.4631 6.4744 6.4744 6.7821 6.7821 6.7835 6.7835 7.0511 7.0511 7.0533 7.0533 7.1200 7.1200 7.1225 7.1225 7.5414 7.5414 7.5509 7.5509 7.6330 7.6330 7.6479 7.6479 8.1354 8.1354 8.1371 8.1371 8.1834 8.1834 8.1894 8.1894 8.2337 8.2337 8.2356 8.2356 9.2917 9.2917 9.2946 9.2946 9.5045 9.5045 9.5091 9.5091 k = 0.2826 0.1632 0.7236 ( 13406 PWs) bands (ev): -1.7193 -1.7193 -1.7193 -1.7193 2.0521 2.0521 2.0521 2.0521 2.8956 2.8956 2.8981 2.8981 3.1057 3.1057 3.1091 3.1091 4.4881 4.4881 4.4901 4.4901 4.7271 4.7271 4.7344 4.7344 5.5356 5.5356 5.5388 5.5388 5.9943 5.9943 6.0000 6.0000 6.0676 6.0676 6.0839 6.0839 6.4871 6.4871 6.4989 6.4989 6.7373 6.7373 6.7383 6.7383 7.0479 7.0479 7.0479 7.0479 7.1118 7.1118 7.1158 7.1158 7.5474 7.5474 7.5562 7.5562 7.6451 7.6451 7.6596 7.6596 8.1490 8.1490 8.1515 8.1515 8.2108 8.2108 8.2172 8.2172 8.2651 8.2651 8.2668 8.2668 9.3149 9.3149 9.3198 9.3198 9.4643 9.4643 9.4655 9.4655 k = 0.3043 0.1757 0.7236 ( 13410 PWs) bands (ev): -1.7189 -1.7189 -1.7189 -1.7189 2.0764 2.0764 2.0765 2.0765 2.8545 2.8545 2.8566 2.8566 3.0965 3.0965 3.0997 3.0997 4.4867 4.4867 4.4885 4.4885 4.7638 4.7638 4.7715 4.7715 5.5200 5.5200 5.5238 5.5238 6.0263 6.0263 6.0291 6.0291 6.0526 6.0526 6.0649 6.0649 6.5113 6.5113 6.5242 6.5242 6.6934 6.6934 6.6975 6.6975 7.0392 7.0392 7.0416 7.0416 7.1046 7.1046 7.1100 7.1100 7.5526 7.5526 7.5607 7.5607 7.6561 7.6561 7.6698 7.6698 8.1600 8.1600 8.1624 8.1624 8.2402 8.2402 8.2455 8.2455 8.3023 8.3023 8.3030 8.3030 9.3293 9.3293 9.3407 9.3407 9.4227 9.4227 9.4252 9.4252 k = 0.3261 0.1883 0.7236 ( 13406 PWs) bands (ev): -1.7185 -1.7185 -1.7185 -1.7185 2.1021 2.1021 2.1021 2.1021 2.8130 2.8130 2.8148 2.8148 3.0880 3.0880 3.0909 3.0909 4.4852 4.4852 4.4869 4.4869 4.8017 4.8017 4.8099 4.8099 5.5026 5.5026 5.5070 5.5070 6.0230 6.0230 6.0374 6.0374 6.0665 6.0665 6.0728 6.0728 6.5328 6.5328 6.5482 6.5482 6.6541 6.6541 6.6630 6.6630 7.0280 7.0280 7.0326 7.0326 7.0978 7.0978 7.1045 7.1045 7.5569 7.5569 7.5641 7.5641 7.6660 7.6660 7.6788 7.6788 8.1688 8.1688 8.1708 8.1708 8.2694 8.2694 8.2731 8.2731 8.3446 8.3446 8.3453 8.3453 9.3124 9.3124 9.3362 9.3362 9.3886 9.3886 9.4114 9.4114 k = 0.3478 0.2008 0.7236 ( 13398 PWs) bands (ev): -1.7181 -1.7181 -1.7181 -1.7181 2.1288 2.1288 2.1288 2.1288 2.7716 2.7716 2.7732 2.7732 3.0804 3.0804 3.0829 3.0829 4.4837 4.4837 4.4852 4.4852 4.8403 4.8403 4.8489 4.8489 5.4833 5.4833 5.4883 5.4883 6.0068 6.0068 6.0220 6.0220 6.0941 6.0941 6.1029 6.1029 6.5443 6.5443 6.5624 6.5624 6.6282 6.6282 6.6424 6.6424 7.0150 7.0150 7.0212 7.0212 7.0915 7.0915 7.0990 7.0990 7.5602 7.5602 7.5665 7.5665 7.6749 7.6749 7.6866 7.6866 8.1758 8.1758 8.1775 8.1775 8.2967 8.2967 8.2988 8.2988 8.3916 8.3916 8.3935 8.3935 9.2651 9.2651 9.2872 9.2872 9.3798 9.3798 9.4125 9.4125 k = 0.3696 0.2134 0.7236 ( 13398 PWs) bands (ev): -1.7178 -1.7178 -1.7178 -1.7178 2.1562 2.1562 2.1562 2.1562 2.7310 2.7310 2.7323 2.7323 3.0736 3.0736 3.0758 3.0758 4.4823 4.4823 4.4837 4.4837 4.8791 4.8791 4.8878 4.8878 5.4624 5.4624 5.4680 5.4680 5.9917 5.9917 6.0058 6.0058 6.1221 6.1221 6.1317 6.1317 6.5356 6.5356 6.5486 6.5486 6.6340 6.6340 6.6455 6.6455 7.0003 7.0003 7.0076 7.0076 7.0858 7.0858 7.0935 7.0935 7.5626 7.5626 7.5680 7.5680 7.6829 7.6829 7.6933 7.6933 8.1815 8.1815 8.1829 8.1829 8.3213 8.3213 8.3223 8.3223 8.4432 8.4432 8.4460 8.4460 9.2072 9.2072 9.2257 9.2257 9.3732 9.3732 9.4062 9.4062 k = 0.3913 0.2259 0.7236 ( 13406 PWs) bands (ev): -1.7175 -1.7175 -1.7175 -1.7175 2.1837 2.1837 2.1837 2.1837 2.6918 2.6918 2.6930 2.6930 3.0678 3.0678 3.0697 3.0697 4.4811 4.4811 4.4822 4.4822 4.9171 4.9171 4.9258 4.9258 5.4403 5.4403 5.4464 5.4464 5.9787 5.9787 5.9911 5.9911 6.1482 6.1482 6.1581 6.1581 6.5136 6.5136 6.5204 6.5204 6.6577 6.6577 6.6653 6.6653 6.9843 6.9843 6.9920 6.9920 7.0808 7.0808 7.0881 7.0881 7.5642 7.5642 7.5687 7.5687 7.6900 7.6900 7.6989 7.6989 8.1860 8.1860 8.1871 8.1871 8.3428 8.3428 8.3431 8.3431 8.4986 8.4986 8.5022 8.5022 9.1455 9.1455 9.1611 9.1611 9.3697 9.3697 9.4009 9.4009 k = 0.4130 0.2385 0.7236 ( 13406 PWs) bands (ev): -1.7173 -1.7173 -1.7173 -1.7173 2.2106 2.2106 2.2106 2.2106 2.6553 2.6553 2.6562 2.6562 3.0630 3.0630 3.0645 3.0645 4.4800 4.4800 4.4809 4.4809 4.9533 4.9533 4.9615 4.9615 5.4180 5.4180 5.4241 5.4241 5.9681 5.9681 5.9784 5.9784 6.1721 6.1721 6.1816 6.1816 6.4890 6.4890 6.4920 6.4920 6.6848 6.6848 6.6907 6.6907 6.9673 6.9673 6.9750 6.9750 7.0767 7.0767 7.0831 7.0831 7.5653 7.5653 7.5689 7.5689 7.6961 7.6961 7.7034 7.7034 8.1895 8.1895 8.1904 8.1904 8.3607 8.3607 8.3609 8.3609 8.5570 8.5570 8.5611 8.5611 9.0819 9.0819 9.0952 9.0952 9.3714 9.3714 9.4007 9.4007 k = 0.4348 0.2510 0.7236 ( 13406 PWs) bands (ev): -1.7171 -1.7171 -1.7171 -1.7171 2.2355 2.2355 2.2356 2.2356 2.6226 2.6226 2.6233 2.6233 3.0593 3.0593 3.0604 3.0604 4.4791 4.4791 4.4798 4.4798 4.9861 4.9861 4.9933 4.9933 5.3968 5.3968 5.4025 5.4025 5.9599 5.9599 5.9679 5.9679 6.1931 6.1931 6.2016 6.2016 6.4663 6.4663 6.4670 6.4670 6.7113 6.7113 6.7162 6.7162 6.9503 6.9503 6.9572 6.9572 7.0737 7.0737 7.0788 7.0788 7.5660 7.5660 7.5686 7.5686 7.7012 7.7012 7.7067 7.7067 8.1922 8.1922 8.1928 8.1928 8.3749 8.3749 8.3753 8.3753 8.6173 8.6173 8.6221 8.6221 9.0175 9.0175 9.0288 9.0288 9.3789 9.3789 9.4061 9.4061 k = 0.4565 0.2636 0.7236 ( 13398 PWs) bands (ev): -1.7169 -1.7169 -1.7169 -1.7169 2.2567 2.2567 2.2567 2.2567 2.5960 2.5960 2.5964 2.5964 3.0566 3.0566 3.0574 3.0574 4.4785 4.4785 4.4790 4.4790 5.0133 5.0133 5.0189 5.0189 5.3789 5.3789 5.3835 5.3835 5.9544 5.9544 5.9599 5.9599 6.2104 6.2104 6.2170 6.2170 6.4473 6.4473 6.4478 6.4478 6.7347 6.7347 6.7387 6.7387 6.9348 6.9348 6.9403 6.9403 7.0719 7.0719 7.0754 7.0754 7.5665 7.5665 7.5682 7.5682 7.7051 7.7051 7.7088 7.7088 8.1941 8.1941 8.1945 8.1945 8.3853 8.3853 8.3856 8.3856 8.6787 8.6787 8.6840 8.6840 8.9534 8.9534 8.9631 8.9631 9.3919 9.3919 9.4161 9.4161 k = 0.4783 0.2761 0.7236 ( 13410 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2713 2.2713 2.2713 2.2713 2.5781 2.5781 2.5783 2.5783 3.0551 3.0551 3.0555 3.0555 4.4782 4.4782 4.4784 4.4784 5.0323 5.0323 5.0354 5.0354 5.3670 5.3670 5.3696 5.3696 5.9517 5.9517 5.9544 5.9544 6.2227 6.2227 6.2263 6.2263 6.4346 6.4346 6.4352 6.4352 6.7520 6.7520 6.7544 6.7544 6.9237 6.9237 6.9269 6.9269 7.0711 7.0711 7.0729 7.0729 7.5668 7.5668 7.5677 7.5677 7.7078 7.7078 7.7097 7.7097 8.1952 8.1952 8.1954 8.1954 8.3917 8.3917 8.3919 8.3919 8.7383 8.7383 8.7437 8.7437 8.8929 8.8929 8.9004 8.9004 9.4087 9.4087 9.4263 9.4263 k = 0.5000 0.2887 0.7236 ( 13400 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2766 2.2766 2.2766 2.2766 2.5718 2.5718 2.5718 2.5718 3.0548 3.0548 3.0548 3.0548 4.4782 4.4782 4.4782 4.4782 5.0401 5.0401 5.0401 5.0401 5.3636 5.3636 5.3636 5.3636 5.9517 5.9517 5.9517 5.9517 6.2283 6.2283 6.2283 6.2283 6.4305 6.4305 6.4305 6.4305 6.7594 6.7594 6.7594 6.7594 6.9205 6.9205 6.9205 6.9205 7.0715 7.0715 7.0715 7.0715 7.5673 7.5673 7.5673 7.5673 7.7094 7.7094 7.7094 7.7094 8.1957 8.1957 8.1957 8.1957 8.3939 8.3939 8.3939 8.3939 8.7777 8.7777 8.7777 8.7777 8.8593 8.8593 8.8593 8.8593 9.4244 9.4244 9.4244 9.4244 k = 0.5000 0.2887 0.7236 ( 13400 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2766 2.2766 2.2766 2.2766 2.5718 2.5718 2.5718 2.5718 3.0548 3.0548 3.0548 3.0548 4.4782 4.4782 4.4782 4.4782 5.0401 5.0401 5.0401 5.0401 5.3636 5.3636 5.3636 5.3636 5.9517 5.9517 5.9517 5.9517 6.2283 6.2283 6.2283 6.2283 6.4305 6.4305 6.4305 6.4305 6.7594 6.7594 6.7594 6.7594 6.9205 6.9205 6.9205 6.9205 7.0715 7.0715 7.0715 7.0715 7.5673 7.5673 7.5673 7.5673 7.7094 7.7094 7.7094 7.7094 8.1957 8.1957 8.1957 8.1957 8.3939 8.3939 8.3939 8.3939 8.7777 8.7777 8.7777 8.7777 8.8593 8.8593 8.8593 8.8593 9.4244 9.4244 9.4244 9.4244 k = 0.4872 0.3109 0.7236 ( 13396 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2777 2.2777 2.2777 2.2777 2.5717 2.5717 2.5717 2.5717 3.0523 3.0523 3.0523 3.0523 4.4817 4.4817 4.4817 4.4817 5.0387 5.0387 5.0387 5.0387 5.3623 5.3623 5.3623 5.3623 5.9513 5.9513 5.9513 5.9513 6.2288 6.2288 6.2288 6.2288 6.4294 6.4294 6.4294 6.4294 6.7609 6.7609 6.7609 6.7609 6.9211 6.9211 6.9211 6.9211 7.0713 7.0713 7.0713 7.0713 7.5681 7.5681 7.5681 7.5681 7.7098 7.7098 7.7098 7.7098 8.1966 8.1966 8.1966 8.1966 8.3947 8.3947 8.3947 8.3947 8.7740 8.7740 8.7740 8.7740 8.8557 8.8557 8.8557 8.8557 9.4267 9.4267 9.4267 9.4267 k = 0.4744 0.3331 0.7236 ( 13404 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2811 2.2811 2.2811 2.2811 2.5714 2.5714 2.5714 2.5714 3.0449 3.0449 3.0449 3.0449 4.4921 4.4921 4.4921 4.4921 5.0346 5.0346 5.0346 5.0346 5.3584 5.3584 5.3584 5.3584 5.9501 5.9501 5.9501 5.9501 6.2301 6.2301 6.2301 6.2301 6.4263 6.4263 6.4263 6.4263 6.7655 6.7655 6.7655 6.7655 6.9226 6.9226 6.9226 6.9226 7.0707 7.0707 7.0707 7.0707 7.5708 7.5708 7.5708 7.5708 7.7109 7.7109 7.7109 7.7109 8.1994 8.1994 8.1994 8.1994 8.3969 8.3969 8.3969 8.3969 8.7635 8.7635 8.7635 8.7635 8.8451 8.8451 8.8451 8.8451 9.4325 9.4325 9.4325 9.4325 k = 0.4615 0.3553 0.7236 ( 13408 PWs) bands (ev): -1.7167 -1.7167 -1.7167 -1.7167 2.2867 2.2867 2.2867 2.2867 2.5708 2.5708 2.5708 2.5708 3.0332 3.0332 3.0332 3.0332 4.5091 4.5091 4.5091 4.5091 5.0277 5.0277 5.0277 5.0277 5.3521 5.3521 5.3521 5.3521 5.9482 5.9482 5.9482 5.9482 6.2323 6.2323 6.2323 6.2323 6.4212 6.4212 6.4212 6.4212 6.7730 6.7730 6.7730 6.7730 6.9250 6.9250 6.9250 6.9250 7.0695 7.0695 7.0695 7.0695 7.5752 7.5752 7.5752 7.5752 7.7124 7.7124 7.7124 7.7124 8.2045 8.2045 8.2045 8.2045 8.4007 8.4007 8.4007 8.4007 8.7470 8.7470 8.7470 8.7470 8.8281 8.8281 8.8281 8.8281 9.4398 9.4398 9.4398 9.4398 k = 0.4487 0.3775 0.7236 ( 13404 PWs) bands (ev): -1.7167 -1.7167 -1.7167 -1.7167 2.2945 2.2945 2.2945 2.2945 2.5697 2.5697 2.5697 2.5697 3.0177 3.0177 3.0177 3.0177 4.5320 4.5320 4.5320 4.5320 5.0183 5.0183 5.0183 5.0183 5.3434 5.3434 5.3434 5.3434 5.9457 5.9457 5.9457 5.9457 6.2353 6.2353 6.2353 6.2353 6.4144 6.4144 6.4144 6.4144 6.7832 6.7832 6.7832 6.7832 6.9282 6.9282 6.9282 6.9282 7.0674 7.0674 7.0674 7.0674 7.5812 7.5812 7.5812 7.5812 7.7140 7.7140 7.7140 7.7140 8.2124 8.2124 8.2124 8.2124 8.4058 8.4058 8.4058 8.4058 8.7258 8.7258 8.7258 8.7258 8.8056 8.8056 8.8056 8.8056 9.4471 9.4471 9.4471 9.4471 k = 0.4359 0.3997 0.7236 ( 13398 PWs) bands (ev): -1.7166 -1.7166 -1.7166 -1.7166 2.3046 2.3046 2.3046 2.3046 2.5677 2.5677 2.5677 2.5677 2.9995 2.9995 2.9995 2.9995 4.5602 4.5602 4.5602 4.5602 5.0063 5.0063 5.0063 5.0063 5.3327 5.3327 5.3327 5.3327 5.9427 5.9427 5.9427 5.9427 6.2393 6.2393 6.2393 6.2393 6.4062 6.4062 6.4062 6.4062 6.7957 6.7957 6.7957 6.7957 6.9319 6.9319 6.9319 6.9319 7.0642 7.0642 7.0642 7.0642 7.5887 7.5887 7.5887 7.5887 7.7152 7.7152 7.7152 7.7152 8.2237 8.2237 8.2237 8.2237 8.4123 8.4123 8.4123 8.4123 8.7014 8.7014 8.7014 8.7014 8.7786 8.7786 8.7786 8.7786 9.4537 9.4537 9.4537 9.4537 k = 0.4231 0.4219 0.7236 ( 13382 PWs) bands (ev): -1.7165 -1.7165 -1.7165 -1.7165 2.3169 2.3169 2.3169 2.3169 2.5644 2.5644 2.5644 2.5644 2.9797 2.9797 2.9797 2.9797 4.5927 4.5927 4.5927 4.5927 4.9921 4.9921 4.9921 4.9921 5.3202 5.3202 5.3202 5.3202 5.9395 5.9395 5.9395 5.9395 6.2442 6.2442 6.2442 6.2442 6.3970 6.3970 6.3970 6.3970 6.8103 6.8103 6.8103 6.8103 6.9361 6.9361 6.9361 6.9361 7.0593 7.0593 7.0593 7.0593 7.5976 7.5976 7.5976 7.5976 7.7153 7.7153 7.7153 7.7153 8.2391 8.2391 8.2391 8.2391 8.4200 8.4200 8.4200 8.4200 8.6749 8.6749 8.6749 8.6749 8.7481 8.7481 8.7481 8.7481 9.4598 9.4598 9.4598 9.4598 k = 0.4103 0.4441 0.7236 ( 13386 PWs) bands (ev): -1.7164 -1.7164 -1.7164 -1.7164 2.3313 2.3313 2.3313 2.3313 2.5592 2.5592 2.5592 2.5592 2.9594 2.9594 2.9594 2.9594 4.6286 4.6286 4.6286 4.6286 4.9758 4.9758 4.9758 4.9758 5.3064 5.3064 5.3064 5.3064 5.9361 5.9361 5.9361 5.9361 6.2499 6.2499 6.2499 6.2499 6.3869 6.3869 6.3869 6.3869 6.8264 6.8264 6.8264 6.8264 6.9406 6.9406 6.9406 6.9406 7.0526 7.0526 7.0526 7.0526 7.6076 7.6076 7.6076 7.6076 7.7140 7.7140 7.7140 7.7140 8.2592 8.2592 8.2592 8.2592 8.4286 8.4286 8.4286 8.4286 8.6472 8.6472 8.6472 8.6472 8.7149 8.7149 8.7149 8.7149 9.4653 9.4653 9.4653 9.4653 k = 0.3974 0.4663 0.7236 ( 13388 PWs) bands (ev): -1.7163 -1.7163 -1.7163 -1.7163 2.3478 2.3478 2.3478 2.3478 2.5516 2.5516 2.5516 2.5516 2.9399 2.9399 2.9399 2.9399 4.6669 4.6669 4.6669 4.6669 4.9575 4.9575 4.9575 4.9575 5.2919 5.2919 5.2919 5.2919 5.9327 5.9327 5.9327 5.9327 6.2566 6.2566 6.2566 6.2566 6.3763 6.3763 6.3763 6.3763 6.8438 6.8438 6.8438 6.8438 6.9453 6.9453 6.9453 6.9453 7.0437 7.0437 7.0437 7.0437 7.6185 7.6185 7.6185 7.6185 7.7109 7.7109 7.7109 7.7109 8.2845 8.2845 8.2845 8.2845 8.4382 8.4382 8.4382 8.4382 8.6190 8.6190 8.6190 8.6190 8.6800 8.6800 8.6800 8.6800 9.4705 9.4705 9.4705 9.4705 k = 0.3846 0.4885 0.7236 ( 13376 PWs) bands (ev): -1.7162 -1.7162 -1.7162 -1.7162 2.3664 2.3664 2.3664 2.3664 2.5409 2.5409 2.5409 2.5409 2.9225 2.9225 2.9225 2.9225 4.7063 4.7063 4.7063 4.7063 4.9376 4.9376 4.9376 4.9376 5.2772 5.2772 5.2772 5.2772 5.9296 5.9296 5.9296 5.9296 6.2641 6.2641 6.2641 6.2641 6.3653 6.3653 6.3653 6.3653 6.8621 6.8621 6.8621 6.8621 6.9501 6.9501 6.9501 6.9501 7.0323 7.0323 7.0323 7.0323 7.6299 7.6299 7.6299 7.6299 7.7061 7.7061 7.7061 7.7061 8.3151 8.3151 8.3151 8.3151 8.4483 8.4483 8.4483 8.4483 8.5910 8.5910 8.5910 8.5910 8.6440 8.6440 8.6440 8.6440 9.4754 9.4754 9.4754 9.4754 k = 0.3718 0.5107 0.7236 ( 13388 PWs) bands (ev): -1.7162 -1.7162 -1.7162 -1.7162 2.3870 2.3870 2.3870 2.3870 2.5266 2.5266 2.5266 2.5266 2.9082 2.9082 2.9082 2.9082 4.7455 4.7455 4.7455 4.7455 4.9164 4.9164 4.9164 4.9164 5.2633 5.2633 5.2633 5.2633 5.9268 5.9268 5.9268 5.9268 6.2725 6.2725 6.2725 6.2725 6.3541 6.3541 6.3541 6.3541 6.8808 6.8808 6.8808 6.8808 6.9549 6.9549 6.9549 6.9549 7.0184 7.0184 7.0184 7.0184 7.6416 7.6416 7.6416 7.6416 7.6995 7.6995 7.6995 7.6995 8.3510 8.3510 8.3510 8.3510 8.4586 8.4586 8.4586 8.4586 8.5633 8.5633 8.5633 8.5633 8.6077 8.6077 8.6077 8.6077 9.4798 9.4798 9.4798 9.4798 k = 0.3590 0.5329 0.7236 ( 13396 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4096 2.4096 2.4096 2.4096 2.5083 2.5083 2.5083 2.5083 2.8977 2.8977 2.8977 2.8977 4.7829 4.7829 4.7829 4.7829 4.8940 4.8940 4.8940 4.8940 5.2514 5.2514 5.2514 5.2514 5.9246 5.9246 5.9246 5.9246 6.2813 6.2813 6.2813 6.2813 6.3431 6.3431 6.3431 6.3431 6.8992 6.8992 6.8992 6.8992 6.9595 6.9595 6.9595 6.9595 7.0026 7.0026 7.0026 7.0026 7.6530 7.6530 7.6530 7.6530 7.6917 7.6917 7.6917 7.6917 8.3916 8.3916 8.3916 8.3916 8.4688 8.4688 8.4688 8.4688 8.5365 8.5365 8.5365 8.5365 8.5716 8.5716 8.5716 8.5716 9.4837 9.4837 9.4837 9.4837 k = 0.3462 0.5551 0.7236 ( 13376 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4341 2.4341 2.4341 2.4341 2.4862 2.4862 2.4862 2.4862 2.8915 2.8915 2.8915 2.8915 4.8161 4.8161 4.8161 4.8161 4.8712 4.8712 4.8712 4.8712 5.2429 5.2429 5.2429 5.2429 5.9232 5.9232 5.9232 5.9232 6.2897 6.2897 6.2897 6.2897 6.3335 6.3335 6.3335 6.3335 6.9159 6.9159 6.9159 6.9159 6.9628 6.9628 6.9628 6.9628 6.9870 6.9870 6.9870 6.9870 7.6639 7.6639 7.6639 7.6639 7.6830 7.6830 7.6830 7.6830 8.4349 8.4349 8.4349 8.4349 8.4785 8.4785 8.4785 8.4785 8.5120 8.5120 8.5120 8.5120 8.5364 8.5364 8.5364 8.5364 9.4865 9.4865 9.4865 9.4865 k = 0.3333 0.5774 0.7236 ( 13392 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4585 2.4585 2.4585 2.4585 2.4624 2.4624 2.4624 2.4624 2.8895 2.8895 2.8895 2.8895 4.8370 4.8370 4.8370 4.8370 4.8543 4.8543 4.8543 4.8543 5.2396 5.2396 5.2396 5.2396 5.9226 5.9226 5.9226 5.9226 6.2940 6.2940 6.2940 6.2940 6.3288 6.3288 6.3288 6.3288 6.9249 6.9249 6.9249 6.9249 6.9624 6.9624 6.9624 6.9624 6.9800 6.9800 6.9800 6.9800 7.6728 7.6728 7.6728 7.6728 7.6747 7.6747 7.6747 7.6747 8.4617 8.4617 8.4617 8.4617 8.4896 8.4896 8.4896 8.4896 8.5034 8.5034 8.5034 8.5034 8.5051 8.5051 8.5051 8.5051 9.4876 9.4876 9.4876 9.4876 k = 0.3333 0.5774 0.7236 ( 13392 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4585 2.4585 2.4585 2.4585 2.4624 2.4624 2.4624 2.4624 2.8895 2.8895 2.8895 2.8895 4.8370 4.8370 4.8370 4.8370 4.8543 4.8543 4.8543 4.8543 5.2396 5.2396 5.2396 5.2396 5.9226 5.9226 5.9226 5.9226 6.2940 6.2940 6.2940 6.2940 6.3288 6.3288 6.3288 6.3288 6.9249 6.9249 6.9249 6.9249 6.9624 6.9624 6.9624 6.9624 6.9800 6.9800 6.9800 6.9800 7.6728 7.6728 7.6728 7.6728 7.6747 7.6747 7.6747 7.6747 8.4617 8.4617 8.4617 8.4617 8.4896 8.4896 8.4896 8.4896 8.5034 8.5034 8.5034 8.5034 8.5051 8.5051 8.5051 8.5051 9.4876 9.4876 9.4876 9.4876 k = 0.3205 0.5551 0.7236 ( 13386 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4319 2.4319 2.4319 2.4319 2.4886 2.4886 2.4886 2.4886 2.8914 2.8914 2.8914 2.8914 4.8194 4.8194 4.8194 4.8194 4.8674 4.8674 4.8674 4.8674 5.2434 5.2434 5.2434 5.2434 5.9232 5.9232 5.9232 5.9232 6.2890 6.2890 6.2890 6.2890 6.3342 6.3342 6.3342 6.3342 6.9134 6.9134 6.9134 6.9134 6.9682 6.9682 6.9682 6.9682 6.9842 6.9842 6.9842 6.9842 7.6646 7.6646 7.6646 7.6646 7.6822 7.6822 7.6822 7.6822 8.4463 8.4463 8.4463 8.4463 8.4670 8.4670 8.4670 8.4670 8.4984 8.4984 8.4984 8.4984 8.5498 8.5498 8.5498 8.5498 9.4863 9.4863 9.4863 9.4863 k = 0.3077 0.5329 0.7236 ( 13390 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4011 2.4011 2.4011 2.4011 2.5183 2.5183 2.5183 2.5183 2.8967 2.8967 2.8967 2.8967 4.7953 4.7953 4.7953 4.7953 4.8775 4.8775 4.8775 4.8775 5.2551 5.2551 5.2551 5.2551 5.9251 5.9251 5.9251 5.9251 6.2775 6.2775 6.2775 6.2775 6.3471 6.3471 6.3471 6.3471 6.8885 6.8885 6.8885 6.8885 6.9783 6.9783 6.9783 6.9783 6.9945 6.9945 6.9945 6.9945 7.6560 7.6560 7.6560 7.6560 7.6888 7.6888 7.6888 7.6888 8.4218 8.4218 8.4218 8.4218 8.4364 8.4364 8.4364 8.4364 8.5016 8.5016 8.5016 8.5016 8.6061 8.6061 8.6061 8.6061 9.4821 9.4821 9.4821 9.4821 k = 0.2949 0.5107 0.7236 ( 13378 PWs) bands (ev): -1.7162 -1.7162 -1.7162 -1.7162 2.3688 2.3688 2.3688 2.3688 2.5496 2.5496 2.5496 2.5496 2.9049 2.9049 2.9049 2.9049 4.7707 4.7707 4.7707 4.7707 4.8787 4.8787 4.8787 4.8787 5.2743 5.2743 5.2743 5.2743 5.9286 5.9286 5.9286 5.9286 6.2629 6.2629 6.2629 6.2629 6.3641 6.3641 6.3641 6.3641 6.8585 6.8585 6.8585 6.8585 6.9863 6.9863 6.9863 6.9863 7.0094 7.0094 7.0094 7.0094 7.6480 7.6480 7.6480 7.6480 7.6933 7.6933 7.6933 7.6933 8.3959 8.3959 8.3959 8.3959 8.4073 8.4073 8.4073 8.4073 8.5026 8.5026 8.5026 8.5026 8.6662 8.6662 8.6662 8.6662 9.4753 9.4753 9.4753 9.4753 k = 0.2821 0.4885 0.7236 ( 13382 PWs) bands (ev): -1.7163 -1.7163 -1.7163 -1.7163 2.3356 2.3356 2.3356 2.3356 2.5823 2.5823 2.5823 2.5823 2.9156 2.9156 2.9156 2.9156 4.7462 4.7462 4.7462 4.7462 4.8719 4.8719 4.8719 4.8719 5.2995 5.2995 5.2995 5.2995 5.9337 5.9337 5.9337 5.9337 6.2464 6.2464 6.2464 6.2464 6.3840 6.3840 6.3840 6.3840 6.8255 6.8255 6.8255 6.8255 6.9932 6.9932 6.9932 6.9932 7.0257 7.0257 7.0257 7.0257 7.6409 7.6409 7.6409 7.6409 7.6954 7.6954 7.6954 7.6954 8.3697 8.3697 8.3697 8.3697 8.3801 8.3801 8.3801 8.3801 8.4998 8.4998 8.4998 8.4998 8.7290 8.7290 8.7290 8.7290 9.4674 9.4674 9.4674 9.4674 k = 0.2692 0.4663 0.7236 ( 13386 PWs) bands (ev): -1.7165 -1.7165 -1.7165 -1.7165 2.3020 2.3020 2.3020 2.3020 2.6162 2.6162 2.6162 2.6162 2.9283 2.9283 2.9283 2.9283 4.7221 4.7221 4.7221 4.7221 4.8589 4.8589 4.8589 4.8589 5.3285 5.3285 5.3285 5.3285 5.9406 5.9406 5.9406 5.9406 6.2281 6.2281 6.2281 6.2281 6.4069 6.4069 6.4069 6.4069 6.7905 6.7905 6.7905 6.7905 7.0002 7.0002 7.0002 7.0002 7.0417 7.0417 7.0417 7.0417 7.6348 7.6348 7.6348 7.6348 7.6950 7.6950 7.6950 7.6950 8.3439 8.3439 8.3439 8.3439 8.3543 8.3543 8.3543 8.3543 8.4925 8.4925 8.4925 8.4925 8.7939 8.7939 8.7939 8.7939 9.4601 9.4601 9.4601 9.4601 k = 0.2564 0.4441 0.7236 ( 13368 PWs) bands (ev): -1.7167 -1.7167 -1.7167 -1.7167 2.2685 2.2685 2.2685 2.2685 2.6514 2.6514 2.6514 2.6514 2.9426 2.9426 2.9426 2.9426 4.6986 4.6986 4.6986 4.6986 4.8413 4.8413 4.8413 4.8413 5.3591 5.3591 5.3591 5.3591 5.9496 5.9496 5.9496 5.9496 6.2080 6.2080 6.2080 6.2080 6.4327 6.4327 6.4327 6.4327 6.7543 6.7543 6.7543 6.7543 7.0074 7.0074 7.0074 7.0074 7.0568 7.0568 7.0568 7.0568 7.6296 7.6296 7.6296 7.6296 7.6920 7.6920 7.6920 7.6920 8.3188 8.3188 8.3188 8.3188 8.3298 8.3298 8.3298 8.3298 8.4801 8.4801 8.4801 8.4801 8.8603 8.8603 8.8603 8.8603 9.4554 9.4554 9.4554 9.4554 k = 0.2436 0.4219 0.7236 ( 13360 PWs) bands (ev): -1.7170 -1.7170 -1.7170 -1.7170 2.2354 2.2354 2.2354 2.2354 2.6875 2.6875 2.6875 2.6875 2.9583 2.9583 2.9583 2.9583 4.6759 4.6759 4.6759 4.6759 4.8206 4.8206 4.8206 4.8206 5.3897 5.3897 5.3897 5.3897 5.9605 5.9605 5.9605 5.9605 6.1860 6.1860 6.1860 6.1860 6.4617 6.4617 6.4617 6.4617 6.7174 6.7174 6.7174 6.7174 7.0151 7.0151 7.0151 7.0151 7.0704 7.0704 7.0704 7.0704 7.6251 7.6251 7.6251 7.6251 7.6866 7.6866 7.6866 7.6866 8.2942 8.2942 8.2942 8.2942 8.3068 8.3068 8.3068 8.3068 8.4625 8.4625 8.4625 8.4625 8.9278 8.9278 8.9278 8.9278 9.4548 9.4548 9.4548 9.4548 k = 0.2308 0.3997 0.7236 ( 13372 PWs) bands (ev): -1.7172 -1.7172 -1.7172 -1.7172 2.2031 2.2031 2.2031 2.2031 2.7244 2.7244 2.7244 2.7244 2.9750 2.9750 2.9750 2.9750 4.6540 4.6540 4.6540 4.6540 4.7979 4.7979 4.7979 4.7979 5.4192 5.4192 5.4192 5.4192 5.9736 5.9736 5.9736 5.9736 6.1619 6.1619 6.1619 6.1619 6.4938 6.4938 6.4938 6.4938 6.6803 6.6803 6.6803 6.6803 7.0234 7.0234 7.0234 7.0234 7.0824 7.0824 7.0824 7.0824 7.6214 7.6214 7.6214 7.6214 7.6788 7.6788 7.6788 7.6788 8.2696 8.2696 8.2696 8.2696 8.2855 8.2855 8.2855 8.2855 8.4400 8.4400 8.4400 8.4400 8.9961 8.9961 8.9961 8.9961 9.4589 9.4589 9.4589 9.4589 k = 0.2179 0.3775 0.7236 ( 13388 PWs) bands (ev): -1.7176 -1.7176 -1.7176 -1.7176 2.1717 2.1717 2.1717 2.1717 2.7619 2.7619 2.7619 2.7619 2.9925 2.9925 2.9925 2.9925 4.6333 4.6333 4.6333 4.6333 4.7738 4.7738 4.7738 4.7738 5.4466 5.4466 5.4466 5.4466 5.9886 5.9886 5.9886 5.9886 6.1357 6.1357 6.1357 6.1357 6.5292 6.5292 6.5292 6.5292 6.6439 6.6439 6.6439 6.6439 7.0325 7.0325 7.0325 7.0325 7.0923 7.0923 7.0923 7.0923 7.6179 7.6179 7.6179 7.6179 7.6691 7.6691 7.6691 7.6691 8.2452 8.2452 8.2452 8.2452 8.2660 8.2660 8.2660 8.2660 8.4132 8.4132 8.4132 8.4132 9.0647 9.0647 9.0647 9.0647 9.4664 9.4664 9.4664 9.4664 k = 0.2051 0.3553 0.7236 ( 13384 PWs) bands (ev): -1.7179 -1.7179 -1.7179 -1.7179 2.1415 2.1415 2.1415 2.1415 2.7998 2.7998 2.7998 2.7998 3.0106 3.0106 3.0106 3.0106 4.6138 4.6138 4.6138 4.6138 4.7490 4.7490 4.7490 4.7490 5.4717 5.4717 5.4717 5.4717 6.0053 6.0053 6.0053 6.0053 6.1074 6.1074 6.1074 6.1074 6.5666 6.5666 6.5666 6.5666 6.6096 6.6096 6.6096 6.6096 7.0422 7.0422 7.0422 7.0422 7.0998 7.0998 7.0998 7.0998 7.6146 7.6146 7.6146 7.6146 7.6576 7.6576 7.6576 7.6576 8.2209 8.2209 8.2209 8.2209 8.2480 8.2480 8.2480 8.2480 8.3829 8.3829 8.3829 8.3829 9.1330 9.1330 9.1330 9.1330 9.4608 9.4608 9.4608 9.4608 k = 0.1923 0.3331 0.7236 ( 13396 PWs) bands (ev): -1.7183 -1.7183 -1.7183 -1.7183 2.1126 2.1126 2.1126 2.1126 2.8378 2.8378 2.8378 2.8378 3.0289 3.0289 3.0289 3.0289 4.5956 4.5956 4.5956 4.5956 4.7240 4.7240 4.7240 4.7240 5.4941 5.4941 5.4941 5.4941 6.0232 6.0232 6.0232 6.0232 6.0774 6.0774 6.0774 6.0774 6.5705 6.5705 6.5705 6.5705 6.6133 6.6133 6.6133 6.6133 7.0528 7.0528 7.0528 7.0528 7.1047 7.1047 7.1047 7.1047 7.6109 7.6109 7.6109 7.6109 7.6450 7.6450 7.6450 7.6450 8.1969 8.1969 8.1969 8.1969 8.2313 8.2313 8.2313 8.2313 8.3503 8.3503 8.3503 8.3503 9.2001 9.2001 9.2001 9.2001 9.4281 9.4281 9.4281 9.4281 k = 0.1795 0.3109 0.7236 ( 13392 PWs) bands (ev): -1.7187 -1.7187 -1.7187 -1.7187 2.0853 2.0853 2.0853 2.0853 2.8757 2.8757 2.8757 2.8757 3.0474 3.0474 3.0474 3.0474 4.5788 4.5788 4.5788 4.5788 4.6991 4.6991 4.6991 4.6991 5.5140 5.5140 5.5140 5.5140 6.0345 6.0345 6.0345 6.0345 6.0535 6.0535 6.0535 6.0535 6.5394 6.5394 6.5394 6.5394 6.6565 6.6565 6.6565 6.6565 7.0642 7.0642 7.0642 7.0642 7.1067 7.1067 7.1067 7.1067 7.6064 7.6064 7.6064 7.6064 7.6317 7.6317 7.6317 7.6317 8.1736 8.1736 8.1736 8.1736 8.2153 8.2153 8.2153 8.2153 8.3164 8.3164 8.3164 8.3164 9.2635 9.2635 9.2635 9.2635 9.3957 9.3957 9.3957 9.3957 k = 0.1667 0.2887 0.7236 ( 13392 PWs) bands (ev): -1.7192 -1.7192 -1.7192 -1.7192 2.0595 2.0595 2.0595 2.0595 2.9132 2.9132 2.9132 2.9132 3.0658 3.0658 3.0658 3.0658 4.5634 4.5634 4.5634 4.5634 4.6746 4.6746 4.6746 4.6746 5.5313 5.5313 5.5313 5.5313 6.0068 6.0068 6.0068 6.0068 6.0681 6.0681 6.0681 6.0681 6.5091 6.5091 6.5091 6.5091 6.7032 6.7032 6.7032 6.7032 7.0760 7.0760 7.0760 7.0760 7.1062 7.1062 7.1062 7.1062 7.6004 7.6004 7.6004 7.6004 7.6185 7.6185 7.6185 7.6185 8.1511 8.1511 8.1511 8.1511 8.1998 8.1998 8.1998 8.1998 8.2824 8.2824 8.2824 8.2824 9.3077 9.3077 9.3077 9.3077 9.3834 9.3834 9.3834 9.3834 k = 0.1538 0.2665 0.7236 ( 13400 PWs) bands (ev): -1.7196 -1.7196 -1.7196 -1.7196 2.0354 2.0354 2.0354 2.0354 2.9499 2.9499 2.9499 2.9499 3.0839 3.0839 3.0839 3.0839 4.5497 4.5497 4.5497 4.5497 4.6509 4.6509 4.6509 4.6509 5.5464 5.5464 5.5464 5.5464 5.9716 5.9716 5.9716 5.9716 6.0900 6.0900 6.0900 6.0900 6.4810 6.4810 6.4810 6.4810 6.7517 6.7517 6.7517 6.7517 7.0868 7.0868 7.0868 7.0868 7.1047 7.1047 7.1047 7.1047 7.5920 7.5920 7.5920 7.5920 7.6065 7.6065 7.6065 7.6065 8.1298 8.1298 8.1298 8.1298 8.1841 8.1841 8.1841 8.1841 8.2496 8.2496 8.2496 8.2496 9.3014 9.3014 9.3014 9.3014 9.4234 9.4234 9.4234 9.4234 k = 0.1410 0.2443 0.7236 ( 13406 PWs) bands (ev): -1.7201 -1.7201 -1.7201 -1.7201 2.0130 2.0130 2.0130 2.0130 2.9856 2.9856 2.9856 2.9856 3.1016 3.1016 3.1016 3.1016 4.5375 4.5375 4.5375 4.5375 4.6280 4.6280 4.6280 4.6280 5.5594 5.5594 5.5594 5.5594 5.9349 5.9349 5.9349 5.9349 6.1132 6.1132 6.1132 6.1132 6.4551 6.4551 6.4551 6.4551 6.8009 6.8009 6.8009 6.8009 7.0887 7.0887 7.0887 7.0887 7.1103 7.1103 7.1103 7.1103 7.5807 7.5807 7.5807 7.5807 7.5959 7.5959 7.5959 7.5959 8.1098 8.1098 8.1098 8.1098 8.1674 8.1674 8.1674 8.1674 8.2194 8.2194 8.2194 8.2194 9.2770 9.2770 9.2770 9.2770 9.4830 9.4830 9.4830 9.4830 k = 0.1282 0.2221 0.7236 ( 13410 PWs) bands (ev): -1.7205 -1.7205 -1.7205 -1.7205 1.9925 1.9925 1.9925 1.9925 3.0199 3.0199 3.0199 3.0199 3.1185 3.1185 3.1185 3.1185 4.5270 4.5270 4.5270 4.5270 4.6064 4.6064 4.6064 4.6064 5.5706 5.5706 5.5706 5.5706 5.8979 5.8979 5.8979 5.8979 6.1372 6.1372 6.1372 6.1372 6.4317 6.4317 6.4317 6.4317 6.8492 6.8492 6.8492 6.8492 7.0818 7.0818 7.0818 7.0818 7.1237 7.1237 7.1237 7.1237 7.5679 7.5679 7.5679 7.5679 7.5855 7.5855 7.5855 7.5855 8.0915 8.0915 8.0915 8.0915 8.1489 8.1489 8.1489 8.1489 8.1932 8.1932 8.1932 8.1932 9.2521 9.2521 9.2521 9.2521 9.5446 9.5446 9.5446 9.5446 k = 0.1154 0.1999 0.7236 ( 13406 PWs) bands (ev): -1.7209 -1.7209 -1.7209 -1.7209 1.9738 1.9738 1.9738 1.9738 3.0524 3.0524 3.0524 3.0524 3.1346 3.1346 3.1346 3.1346 4.5180 4.5180 4.5180 4.5180 4.5861 4.5861 4.5861 4.5861 5.5801 5.5801 5.5801 5.5801 5.8612 5.8612 5.8612 5.8612 6.1617 6.1617 6.1617 6.1617 6.4107 6.4107 6.4107 6.4107 6.8942 6.8942 6.8942 6.8942 7.0740 7.0740 7.0740 7.0740 7.1395 7.1395 7.1395 7.1395 7.5546 7.5546 7.5546 7.5546 7.5741 7.5741 7.5741 7.5741 8.0750 8.0750 8.0750 8.0750 8.1281 8.1281 8.1281 8.1281 8.1720 8.1720 8.1720 8.1720 9.2291 9.2291 9.2291 9.2291 9.6051 9.6051 9.6051 9.6051 k = 0.1026 0.1776 0.7236 ( 13404 PWs) bands (ev): -1.7214 -1.7214 -1.7214 -1.7214 1.9570 1.9570 1.9570 1.9570 3.0827 3.0827 3.0827 3.0827 3.1497 3.1497 3.1497 3.1497 4.5106 4.5106 4.5106 4.5106 4.5673 4.5673 4.5673 4.5673 5.5883 5.5883 5.5883 5.5883 5.8255 5.8255 5.8255 5.8255 6.1863 6.1863 6.1863 6.1863 6.3921 6.3921 6.3921 6.3921 6.9307 6.9307 6.9307 6.9307 7.0713 7.0713 7.0713 7.0713 7.1563 7.1563 7.1563 7.1563 7.5412 7.5412 7.5412 7.5412 7.5613 7.5613 7.5613 7.5613 8.0604 8.0604 8.0604 8.0604 8.1063 8.1063 8.1063 8.1063 8.1547 8.1547 8.1547 8.1547 9.2088 9.2088 9.2088 9.2088 9.6635 9.6635 9.6635 9.6635 k = 0.0897 0.1554 0.7236 ( 13412 PWs) bands (ev): -1.7218 -1.7218 -1.7218 -1.7218 1.9421 1.9421 1.9421 1.9421 3.1104 3.1104 3.1104 3.1104 3.1637 3.1637 3.1637 3.1637 4.5046 4.5046 4.5046 4.5046 4.5503 4.5503 4.5503 4.5503 5.5951 5.5951 5.5951 5.5951 5.7917 5.7917 5.7917 5.7917 6.2107 6.2107 6.2107 6.2107 6.3759 6.3759 6.3759 6.3759 6.9500 6.9500 6.9500 6.9500 7.0822 7.0822 7.0822 7.0822 7.1739 7.1739 7.1739 7.1739 7.5278 7.5278 7.5278 7.5278 7.5471 7.5471 7.5471 7.5471 8.0479 8.0479 8.0479 8.0479 8.0853 8.0853 8.0853 8.0853 8.1400 8.1400 8.1400 8.1400 9.1911 9.1911 9.1911 9.1911 9.7191 9.7191 9.7191 9.7191 k = 0.0769 0.1332 0.7236 ( 13420 PWs) bands (ev): -1.7221 -1.7221 -1.7221 -1.7221 1.9291 1.9291 1.9291 1.9291 3.1352 3.1352 3.1352 3.1352 3.1763 3.1763 3.1763 3.1763 4.4999 4.4999 4.4999 4.4999 4.5352 4.5352 4.5352 4.5352 5.6007 5.6007 5.6007 5.6007 5.7604 5.7604 5.7604 5.7604 6.2342 6.2342 6.2342 6.2342 6.3622 6.3622 6.3622 6.3622 6.9499 6.9499 6.9499 6.9499 7.1095 7.1095 7.1095 7.1095 7.1918 7.1918 7.1918 7.1918 7.5143 7.5143 7.5143 7.5143 7.5318 7.5318 7.5318 7.5318 8.0373 8.0373 8.0373 8.0373 8.0662 8.0662 8.0662 8.0662 8.1270 8.1270 8.1270 8.1270 9.1761 9.1761 9.1761 9.1761 9.7713 9.7713 9.7713 9.7713 k = 0.0641 0.1110 0.7236 ( 13412 PWs) bands (ev): -1.7224 -1.7224 -1.7224 -1.7224 1.9182 1.9182 1.9182 1.9182 3.1565 3.1565 3.1565 3.1565 3.1876 3.1876 3.1876 3.1876 4.4965 4.4965 4.4965 4.4965 4.5221 4.5221 4.5221 4.5221 5.6053 5.6053 5.6053 5.6053 5.7325 5.7325 5.7325 5.7325 6.2562 6.2562 6.2562 6.2562 6.3510 6.3510 6.3510 6.3510 6.9385 6.9385 6.9385 6.9385 7.1450 7.1450 7.1450 7.1450 7.2098 7.2098 7.2098 7.2098 7.5007 7.5007 7.5007 7.5007 7.5158 7.5158 7.5158 7.5158 8.0286 8.0286 8.0286 8.0286 8.0498 8.0498 8.0498 8.0498 8.1155 8.1155 8.1155 8.1155 9.1636 9.1636 9.1636 9.1636 9.8195 9.8195 9.8195 9.8195 k = 0.0513 0.0888 0.7236 ( 13428 PWs) bands (ev): -1.7227 -1.7227 -1.7227 -1.7227 1.9092 1.9092 1.9092 1.9092 3.1740 3.1740 3.1740 3.1740 3.1975 3.1975 3.1975 3.1975 4.4940 4.4940 4.4940 4.4940 4.5112 4.5112 4.5112 4.5112 5.6089 5.6089 5.6089 5.6089 5.7087 5.7087 5.7087 5.7087 6.2756 6.2756 6.2756 6.2756 6.3424 6.3424 6.3424 6.3424 6.9232 6.9232 6.9232 6.9232 7.1816 7.1816 7.1816 7.1816 7.2272 7.2272 7.2272 7.2272 7.4870 7.4870 7.4870 7.4870 7.4997 7.4997 7.4997 7.4997 8.0216 8.0216 8.0216 8.0216 8.0363 8.0363 8.0363 8.0363 8.1055 8.1055 8.1055 8.1055 9.1536 9.1536 9.1536 9.1536 9.8628 9.8628 9.8628 9.8628 k = 0.0385 0.0666 0.7236 ( 13432 PWs) bands (ev): -1.7229 -1.7229 -1.7229 -1.7229 1.9022 1.9022 1.9022 1.9022 3.1872 3.1872 3.1872 3.1872 3.2060 3.2060 3.2060 3.2060 4.4923 4.4923 4.4923 4.4923 4.5026 4.5026 4.5026 4.5026 5.6114 5.6114 5.6114 5.6114 5.6895 5.6895 5.6895 5.6895 6.2911 6.2911 6.2911 6.2911 6.3370 6.3370 6.3370 6.3370 6.9080 6.9080 6.9080 6.9080 7.2151 7.2151 7.2151 7.2151 7.2432 7.2432 7.2432 7.2432 7.4738 7.4738 7.4738 7.4738 7.4843 7.4843 7.4843 7.4843 8.0161 8.0161 8.0161 8.0161 8.0259 8.0259 8.0259 8.0259 8.0973 8.0973 8.0973 8.0973 9.1460 9.1460 9.1460 9.1460 9.9000 9.9000 9.9000 9.9000 k = 0.0256 0.0444 0.7236 ( 13428 PWs) bands (ev): -1.7230 -1.7230 -1.7230 -1.7230 1.8972 1.8972 1.8972 1.8972 3.1961 3.1961 3.1961 3.1961 3.2128 3.2128 3.2128 3.2128 4.4913 4.4913 4.4913 4.4913 4.4964 4.4964 4.4964 4.4964 5.6131 5.6131 5.6131 5.6131 5.6756 5.6756 5.6756 5.6756 6.3011 6.3011 6.3011 6.3011 6.3353 6.3353 6.3353 6.3353 6.8955 6.8955 6.8955 6.8955 7.2426 7.2426 7.2426 7.2426 7.2566 7.2566 7.2566 7.2566 7.4627 7.4627 7.4627 7.4627 7.4705 7.4705 7.4705 7.4705 8.0119 8.0119 8.0119 8.0119 8.0188 8.0188 8.0188 8.0188 8.0911 8.0911 8.0911 8.0911 9.1406 9.1406 9.1406 9.1406 9.9295 9.9295 9.9295 9.9295 k = 0.0128 0.0222 0.7236 ( 13436 PWs) bands (ev): -1.7231 -1.7231 -1.7231 -1.7231 1.8942 1.8942 1.8942 1.8942 3.2011 3.2011 3.2011 3.2011 3.2174 3.2174 3.2174 3.2174 4.4907 4.4907 4.4907 4.4907 4.4926 4.4926 4.4926 4.4926 5.6140 5.6140 5.6140 5.6140 5.6671 5.6671 5.6671 5.6671 6.3055 6.3055 6.3055 6.3055 6.3363 6.3363 6.3363 6.3363 6.8873 6.8873 6.8873 6.8873 7.2612 7.2612 7.2612 7.2612 7.2657 7.2657 7.2657 7.2657 7.4555 7.4555 7.4555 7.4555 7.4600 7.4600 7.4600 7.4600 8.0090 8.0090 8.0090 8.0090 8.0150 8.0150 8.0150 8.0150 8.0873 8.0873 8.0873 8.0873 9.1374 9.1374 9.1374 9.1374 9.9488 9.9488 9.9488 9.9488 k = 0.0000 0.0000 0.7236 ( 13428 PWs) bands (ev): -1.7232 -1.7232 -1.7232 -1.7232 1.8932 1.8932 1.8932 1.8932 3.2027 3.2027 3.2027 3.2027 3.2190 3.2190 3.2190 3.2190 4.4907 4.4907 4.4907 4.4907 4.4912 4.4912 4.4912 4.4912 5.6142 5.6142 5.6142 5.6142 5.6643 5.6643 5.6643 5.6643 6.3065 6.3065 6.3065 6.3065 6.3371 6.3371 6.3371 6.3371 6.8844 6.8844 6.8844 6.8844 7.2682 7.2682 7.2682 7.2682 7.2687 7.2687 7.2687 7.2687 7.4536 7.4536 7.4536 7.4536 7.4554 7.4554 7.4554 7.4554 8.0080 8.0080 8.0080 8.0080 8.0138 8.0138 8.0138 8.0138 8.0860 8.0860 8.0860 8.0860 9.1363 9.1363 9.1363 9.1363 9.9556 9.9556 9.9556 9.9556 k = 0.5000 0.2887 0.7236 ( 13400 PWs) bands (ev): -1.7168 -1.7168 -1.7168 -1.7168 2.2766 2.2766 2.2766 2.2766 2.5718 2.5718 2.5718 2.5718 3.0548 3.0548 3.0548 3.0548 4.4782 4.4782 4.4782 4.4782 5.0401 5.0401 5.0401 5.0401 5.3636 5.3636 5.3636 5.3636 5.9517 5.9517 5.9517 5.9517 6.2283 6.2283 6.2283 6.2283 6.4305 6.4305 6.4305 6.4305 6.7594 6.7594 6.7594 6.7594 6.9205 6.9205 6.9205 6.9205 7.0715 7.0715 7.0715 7.0715 7.5673 7.5673 7.5673 7.5673 7.7094 7.7094 7.7094 7.7094 8.1957 8.1957 8.1957 8.1957 8.3939 8.3939 8.3939 8.3939 8.7777 8.7777 8.7777 8.7777 8.8593 8.8593 8.8593 8.8593 9.4244 9.4244 9.4244 9.4244 k = 0.5000 0.2887 0.6977 ( 13394 PWs) bands (ev): -1.7489 -1.7489 -1.6843 -1.6843 2.2007 2.2007 2.3543 2.3543 2.5261 2.5261 2.6154 2.6154 3.0262 3.0262 3.0850 3.0850 4.4534 4.4534 4.5040 4.5040 5.0298 5.0298 5.0510 5.0510 5.2862 5.2862 5.4393 5.4393 5.9295 5.9295 5.9775 5.9775 6.1881 6.1881 6.2663 6.2663 6.4094 6.4094 6.4470 6.4470 6.7561 6.7561 6.7646 6.7646 6.9034 6.9034 6.9321 6.9321 7.0603 7.0603 7.0873 7.0873 7.5502 7.5502 7.5843 7.5843 7.6787 7.6787 7.7402 7.7402 8.1815 8.1815 8.2061 8.2061 8.3680 8.3680 8.4031 8.4031 8.7438 8.7438 8.8040 8.8040 8.8209 8.8209 8.9218 8.9218 9.3886 9.3886 9.4248 9.4248 k = 0.5000 0.2887 0.6719 ( 13412 PWs) bands (ev): -1.7805 -1.7805 -1.6515 -1.6515 2.1267 2.1267 2.4338 2.4338 2.4794 2.4794 2.6552 2.6552 3.0011 3.0011 3.1159 3.1159 4.4300 4.4300 4.5309 4.5309 5.0198 5.0198 5.0624 5.0624 5.2086 5.2086 5.5105 5.5105 5.9134 5.9134 6.0054 6.0054 6.1463 6.1463 6.3015 6.3015 6.3842 6.3842 6.4584 6.4584 6.7547 6.7547 6.7719 6.7719 6.8845 6.8845 6.9334 6.9334 7.0578 7.0578 7.1045 7.1045 7.5334 7.5334 7.6013 7.6013 7.6485 7.6485 7.7706 7.7706 8.1636 8.1636 8.2127 8.2127 8.3316 8.3316 8.3906 8.3906 8.7130 8.7130 8.7759 8.7759 8.8556 8.8556 8.9925 8.9925 9.3398 9.3398 9.3810 9.3810 k = 0.5000 0.2887 0.6461 ( 13404 PWs) bands (ev): -1.8116 -1.8116 -1.6185 -1.6185 2.0548 2.0548 2.4326 2.4326 2.5150 2.5150 2.6881 2.6881 2.9823 2.9823 3.1466 3.1466 4.4081 4.4081 4.5587 4.5587 5.0102 5.0102 5.0744 5.0744 5.1322 5.1322 5.5731 5.5731 5.9072 5.9072 6.0339 6.0339 6.1042 6.1042 6.3325 6.3325 6.3564 6.3564 6.4641 6.4641 6.7553 6.7553 6.7811 6.7811 6.8661 6.8661 6.9231 6.9231 7.0649 7.0649 7.1213 7.1213 7.5171 7.5171 7.6175 7.6175 7.6199 7.6199 7.8000 7.8000 8.1422 8.1422 8.2157 8.2157 8.2894 8.2894 8.3573 8.3573 8.6859 8.6859 8.7568 8.7568 8.8957 8.8957 9.0640 9.0640 9.2853 9.2853 9.3385 9.3385 k = 0.5000 0.2887 0.6202 ( 13396 PWs) bands (ev): -1.8421 -1.8421 -1.5853 -1.5853 1.9851 1.9851 2.3860 2.3860 2.5977 2.5977 2.7098 2.7098 2.9742 2.9742 3.1768 3.1768 4.3876 4.3876 4.5870 4.5870 5.0007 5.0007 5.0562 5.0562 5.0887 5.0887 5.6209 5.6209 5.9155 5.9155 6.0512 6.0512 6.0741 6.0741 6.3213 6.3213 6.3642 6.3642 6.4640 6.4640 6.7577 6.7577 6.7922 6.7922 6.8497 6.8497 6.9044 6.9044 7.0780 7.0780 7.1366 7.1366 7.5014 7.5014 7.5919 7.5919 7.6340 7.6340 7.8278 7.8278 8.1175 8.1175 8.2153 8.2153 8.2446 8.2446 8.3092 8.3092 8.6626 8.6626 8.7408 8.7408 8.9359 8.9359 9.1211 9.1211 9.2303 9.2303 9.3123 9.3123 k = 0.5000 0.2887 0.5944 ( 13394 PWs) bands (ev): -1.8718 -1.8718 -1.5521 -1.5521 1.9176 1.9176 2.3401 2.3401 2.6817 2.6817 2.7168 2.7168 2.9801 2.9801 3.2059 3.2059 4.3685 4.3685 4.6158 4.6158 4.9830 4.9830 4.9932 4.9932 5.1022 5.1022 5.6492 5.6492 5.9374 5.9374 6.0223 6.0223 6.0961 6.0961 6.2864 6.2864 6.3893 6.3893 6.4578 6.4578 6.7619 6.7619 6.8048 6.8048 6.8360 6.8360 6.8810 6.8810 7.0929 7.0929 7.1498 7.1498 7.4868 7.4868 7.5665 7.5665 7.6492 7.6492 7.8534 7.8534 8.0900 8.0900 8.1988 8.1988 8.2127 8.2127 8.2534 8.2534 8.6431 8.6431 8.7184 8.7184 8.9741 8.9741 9.1326 9.1326 9.1788 9.1788 9.3301 9.3301 k = 0.5000 0.2887 0.5685 ( 13392 PWs) bands (ev): -1.9008 -1.9008 -1.5189 -1.5189 1.8523 1.8523 2.2951 2.2951 2.7089 2.7089 2.7672 2.7672 2.9997 2.9997 3.2337 3.2337 4.3506 4.3506 4.6446 4.6446 4.9163 4.9163 4.9826 4.9826 5.1172 5.1172 5.6597 5.6597 5.9390 5.9390 6.0253 6.0253 6.1231 6.1231 6.2482 6.2482 6.4113 6.4113 6.4461 6.4461 6.7676 6.7676 6.8172 6.8172 6.8268 6.8268 6.8550 6.8550 7.1072 7.1072 7.1604 7.1604 7.4736 7.4736 7.5434 7.5434 7.6634 7.6634 7.8759 7.8759 8.0601 8.0601 8.1545 8.1545 8.1946 8.1946 8.2078 8.2078 8.6272 8.6272 8.6844 8.6844 9.0071 9.0071 9.1014 9.1014 9.1315 9.1315 9.3744 9.3744 k = 0.5000 0.2887 0.5427 ( 13398 PWs) bands (ev): -1.9290 -1.9290 -1.4859 -1.4859 1.7895 1.7895 2.2512 2.2512 2.6904 2.6904 2.8536 2.8536 3.0289 3.0289 3.2600 3.2600 4.3334 4.3334 4.6734 4.6734 4.8533 4.8533 4.9732 4.9732 5.1333 5.1333 5.6589 5.6589 5.9047 5.9047 6.0753 6.0753 6.1483 6.1483 6.2076 6.2076 6.4256 6.4256 6.4340 6.4340 6.7750 6.7750 6.8143 6.8143 6.8268 6.8268 6.8375 6.8375 7.1194 7.1194 7.1684 7.1684 7.4623 7.4623 7.5231 7.5231 7.6761 7.6761 7.8944 7.8944 8.0283 8.0283 8.1117 8.1117 8.1364 8.1364 8.2018 8.2018 8.6133 8.6133 8.6392 8.6392 9.0234 9.0234 9.0674 9.0674 9.0856 9.0856 9.3908 9.3908 k = 0.5000 0.2887 0.5169 ( 13390 PWs) bands (ev): -1.9563 -1.9563 -1.4532 -1.4532 1.7290 1.7290 2.2087 2.2087 2.6655 2.6655 2.9409 2.9409 3.0632 3.0632 3.2846 3.2846 4.3161 4.3161 4.7015 4.7015 4.7970 4.7970 4.9638 4.9638 5.1506 5.1506 5.6525 5.6525 5.8633 5.8633 6.1371 6.1371 6.1628 6.1628 6.1729 6.1729 6.4074 6.4074 6.4475 6.4475 6.7839 6.7839 6.7990 6.7990 6.8077 6.8077 6.8538 6.8538 7.1285 7.1285 7.1737 7.1737 7.4535 7.4535 7.5056 7.5056 7.6870 7.6870 7.9081 7.9081 7.9952 7.9952 8.0705 8.0705 8.0816 8.0816 8.1959 8.1959 8.5781 8.5781 8.6079 8.6079 8.9969 8.9969 9.0366 9.0366 9.0709 9.0709 9.4100 9.4100 k = 0.5000 0.2887 0.4910 ( 13388 PWs) bands (ev): -1.9826 -1.9826 -1.4208 -1.4208 1.6711 1.6711 2.1675 2.1675 2.6370 2.6370 3.0289 3.0289 3.0995 3.0995 3.3074 3.3074 4.2977 4.2977 4.7249 4.7249 4.7528 4.7528 4.9543 4.9543 5.1692 5.1692 5.6436 5.6436 5.8214 5.8214 6.1187 6.1187 6.1886 6.1886 6.2028 6.2028 6.3837 6.3837 6.4607 6.4607 6.7705 6.7705 6.7952 6.7952 6.8010 6.8010 6.8721 6.8721 7.1341 7.1341 7.1765 7.1765 7.4477 7.4477 7.4908 7.4908 7.6956 7.6956 7.9158 7.9158 7.9615 7.9615 8.0240 8.0240 8.0389 8.0389 8.1909 8.1909 8.5161 8.5161 8.5984 8.5984 8.9567 8.9567 8.9939 8.9939 9.0762 9.0762 9.4322 9.4322 k = 0.5000 0.2887 0.4652 ( 13396 PWs) bands (ev): -2.0079 -2.0079 -1.3890 -1.3890 1.6157 1.6157 2.1279 2.1279 2.6068 2.6068 3.1167 3.1167 3.1364 3.1364 3.3284 3.3284 4.2768 4.2768 4.7054 4.7054 4.7609 4.7609 4.9446 4.9446 5.1890 5.1890 5.6342 5.6342 5.7810 5.7810 6.0719 6.0719 6.2033 6.2033 6.2625 6.2625 6.3578 6.3578 6.4719 6.4719 6.7423 6.7423 6.7940 6.7940 6.8085 6.8085 6.8917 6.8917 7.1357 7.1357 7.1775 7.1775 7.4457 7.4457 7.4787 7.4787 7.7015 7.7015 7.9160 7.9160 7.9289 7.9289 7.9764 7.9764 8.0059 8.0059 8.1873 8.1873 8.4493 8.4493 8.5908 8.5908 8.9161 8.9161 8.9571 8.9571 9.0737 9.0737 9.4531 9.4531 k = 0.5000 0.2887 0.4393 ( 13392 PWs) bands (ev): -2.0322 -2.0322 -1.3578 -1.3578 1.5630 1.5630 2.0899 2.0899 2.5759 2.5759 3.1689 3.1689 3.2079 3.2079 3.3474 3.3474 4.2520 4.2520 4.6798 4.6798 4.7857 4.7857 4.9348 4.9348 5.2102 5.2102 5.6249 5.6249 5.7428 5.7428 6.0233 6.0233 6.2118 6.2118 6.3158 6.3158 6.3316 6.3316 6.4812 6.4812 6.7144 6.7144 6.7861 6.7861 6.8248 6.8248 6.9124 6.9124 7.1334 7.1334 7.1771 7.1771 7.4478 7.4478 7.4687 7.4687 7.7045 7.7045 7.8931 7.8931 7.9121 7.9121 7.9348 7.9348 7.9776 7.9776 8.1849 8.1849 8.3809 8.3809 8.5832 8.5832 8.8754 8.8754 8.9302 8.9302 9.0639 9.0639 9.4669 9.4669 k = 0.5000 0.2887 0.4135 ( 13378 PWs) bands (ev): -2.0554 -2.0554 -1.3273 -1.3273 1.5130 1.5130 2.0537 2.0537 2.5451 2.5451 3.2016 3.2016 3.2968 3.2968 3.3645 3.3645 4.2226 4.2226 4.6662 4.6662 4.8099 4.8099 4.9248 4.9248 5.2328 5.2328 5.6162 5.6162 5.7078 5.7078 5.9733 5.9733 6.2141 6.2141 6.3026 6.3026 6.3624 6.3624 6.4890 6.4890 6.6871 6.6871 6.7769 6.7769 6.8449 6.8449 6.9342 6.9342 7.1270 7.1270 7.1759 7.1759 7.4534 7.4534 7.4615 7.4615 7.7044 7.7044 7.8616 7.8616 7.8901 7.8901 7.9085 7.9085 7.9536 7.9536 8.1831 8.1831 8.3128 8.3128 8.5749 8.5749 8.8347 8.8347 8.9146 8.9146 9.0495 9.0495 9.4691 9.4691 k = 0.5000 0.2887 0.3876 ( 13374 PWs) bands (ev): -2.0774 -2.0774 -1.2977 -1.2977 1.4657 1.4657 2.0193 2.0193 2.5147 2.5147 3.2311 3.2311 3.3790 3.3790 3.3866 3.3866 4.1889 4.1889 4.6654 4.6654 4.8322 4.8322 4.9148 4.9148 5.2566 5.2566 5.6078 5.6078 5.6769 5.6769 5.9221 5.9221 6.2099 6.2099 6.2752 6.2752 6.3965 6.3965 6.4956 6.4956 6.6604 6.6604 6.7660 6.7660 6.8694 6.8694 6.9568 6.9568 7.1167 7.1167 7.1747 7.1747 7.4516 7.4516 7.4673 7.4673 7.7014 7.7014 7.8315 7.8315 7.8616 7.8616 7.8912 7.8912 7.9334 7.9334 8.1807 8.1807 8.2463 8.2463 8.5656 8.5656 8.7952 8.7952 8.9103 8.9103 9.0329 9.0329 9.4587 9.4587 k = 0.5000 0.2887 0.3618 ( 13368 PWs) bands (ev): -2.0982 -2.0982 -1.2692 -1.2692 1.4212 1.4212 1.9868 1.9868 2.4851 2.4851 3.2576 3.2576 3.3929 3.3929 3.4748 3.4748 4.1520 4.1520 4.6766 4.6766 4.8519 4.8519 4.9050 4.9050 5.2818 5.2818 5.5993 5.5993 5.6514 5.6514 5.8699 5.8699 6.1991 6.1991 6.2481 6.2481 6.4188 6.4188 6.5012 6.5012 6.6346 6.6346 6.7534 6.7534 6.8979 6.8979 6.9800 6.9800 7.1028 7.1028 7.1736 7.1736 7.4456 7.4456 7.4816 7.4816 7.6959 7.6959 7.8034 7.8034 7.8400 7.8400 7.8721 7.8721 7.9165 7.9165 8.1765 8.1765 8.1826 8.1826 8.5558 8.5558 8.7574 8.7574 8.9167 8.9167 9.0159 9.0159 9.4370 9.4370 k = 0.5000 0.2887 0.3360 ( 13358 PWs) bands (ev): -2.1178 -2.1178 -1.2417 -1.2417 1.3795 1.3795 1.9562 1.9562 2.4566 2.4566 3.2808 3.2808 3.4045 3.4045 3.5629 3.5629 4.1133 4.1133 4.6985 4.6985 4.8676 4.8676 4.8964 4.8964 5.3082 5.3082 5.5897 5.5897 5.6326 5.6326 5.8169 5.8169 6.1819 6.1819 6.2216 6.2216 6.4296 6.4296 6.5059 6.5059 6.6098 6.6098 6.7393 6.7393 6.9291 6.9291 7.0036 7.0036 7.0857 7.0857 7.1729 7.1729 7.4401 7.4401 7.4980 7.4980 7.6885 7.6885 7.7778 7.7778 7.8273 7.8273 7.8517 7.8517 7.9021 7.9021 8.1215 8.1215 8.1705 8.1705 8.5462 8.5462 8.7218 8.7218 8.9324 8.9324 8.9997 8.9997 9.4058 9.4058 k = 0.5000 0.2887 0.3101 ( 13374 PWs) bands (ev): -2.1360 -2.1360 -1.2156 -1.2156 1.3407 1.3407 1.9277 1.9277 2.4294 2.4294 3.3009 3.3009 3.4144 3.4144 3.6500 3.6500 4.0740 4.0740 4.7296 4.7296 4.8743 4.8743 4.8939 4.8939 5.3356 5.3356 5.5789 5.5789 5.6210 5.6210 5.7635 5.7635 6.1586 6.1586 6.1959 6.1959 6.4305 6.4305 6.5098 6.5098 6.5862 6.5862 6.7239 6.7239 6.9609 6.9609 7.0271 7.0271 7.0664 7.0664 7.1725 7.1725 7.4351 7.4351 7.5141 7.5141 7.6799 7.6799 7.7546 7.7546 7.8176 7.8176 7.8392 7.8392 7.8897 7.8897 8.0647 8.0647 8.1617 8.1617 8.5376 8.5376 8.6886 8.6886 8.9554 8.9554 8.9860 8.9860 9.3670 9.3670 k = 0.5000 0.2887 0.2843 ( 13376 PWs) bands (ev): -2.1530 -2.1530 -1.1909 -1.1909 1.3049 1.3049 1.9013 1.9013 2.4037 2.4037 3.3179 3.3179 3.4228 3.4228 3.7356 3.7356 4.0354 4.0354 4.7684 4.7684 4.8688 4.8688 4.9004 4.9004 5.3640 5.3640 5.5685 5.5685 5.6150 5.6150 5.7098 5.7098 6.1296 6.1296 6.1713 6.1713 6.4233 6.4233 6.5129 6.5129 6.5637 6.5637 6.7078 6.7078 6.9892 6.9892 7.0436 7.0436 7.0538 7.0538 7.1724 7.1724 7.4310 7.4310 7.5277 7.5277 7.6707 7.6707 7.7338 7.7338 7.7967 7.7967 7.8497 7.8497 7.8797 7.8797 8.0125 8.0125 8.1504 8.1504 8.5303 8.5303 8.6580 8.6580 8.9668 8.9668 8.9924 8.9924 9.3219 9.3219 k = 0.5000 0.2887 0.2584 ( 13372 PWs) bands (ev): -2.1686 -2.1686 -1.1678 -1.1678 1.2720 1.2720 1.8769 1.8769 2.3797 2.3797 3.3322 3.3322 3.4299 3.4299 3.8194 3.8194 3.9984 3.9984 4.8136 4.8136 4.8603 4.8603 4.9073 4.9073 5.3931 5.3931 5.5605 5.5605 5.6126 5.6126 5.6565 5.6565 6.0949 6.0949 6.1484 6.1484 6.4100 6.4100 6.5153 6.5153 6.5426 6.5426 6.6914 6.6914 6.9984 6.9984 7.0409 7.0409 7.0742 7.0742 7.1724 7.1724 7.4277 7.4277 7.5382 7.5382 7.6612 7.6612 7.7153 7.7153 7.7724 7.7724 7.8619 7.8619 7.8835 7.8835 7.9679 7.9679 8.1374 8.1374 8.5245 8.5245 8.6301 8.6301 8.9573 8.9573 9.0273 9.0273 9.2718 9.2718 k = 0.5000 0.2887 0.2326 ( 13352 PWs) bands (ev): -2.1828 -2.1828 -1.1463 -1.1463 1.2422 1.2422 1.8548 1.8548 2.3576 2.3576 3.3439 3.3439 3.4357 3.4357 3.9006 3.9006 3.9636 3.9636 4.8482 4.8482 4.8674 4.8674 4.9117 4.9117 5.4224 5.4224 5.5553 5.5553 5.6018 5.6018 5.6147 5.6147 6.0549 6.0549 6.1276 6.1276 6.3925 6.3925 6.5170 6.5170 6.5229 6.5229 6.6750 6.6750 6.9793 6.9793 7.0595 7.0595 7.0955 7.0955 7.1723 7.1723 7.4256 7.4256 7.5464 7.5464 7.6520 7.6520 7.6989 7.6989 7.7478 7.7478 7.8551 7.8551 7.8945 7.8945 7.9537 7.9537 8.1234 8.1234 8.5200 8.5200 8.6048 8.6048 8.9480 8.9480 9.0680 9.0680 9.2177 9.2177 k = 0.5000 0.2887 0.2067 ( 13354 PWs) bands (ev): -2.1956 -2.1956 -1.1267 -1.1267 1.2154 1.2154 1.8349 1.8349 2.3373 2.3373 3.3535 3.3535 3.4404 3.4404 3.9312 3.9312 3.9791 3.9791 4.8409 4.8409 4.9130 4.9130 4.9217 4.9217 5.4514 5.4514 5.5468 5.5468 5.5573 5.5573 5.6160 5.6160 6.0102 6.0102 6.1088 6.1088 6.3721 6.3721 6.5044 6.5044 6.5184 6.5184 6.6593 6.6593 6.9530 6.9530 7.0801 7.0801 7.1152 7.1152 7.1721 7.1721 7.4247 7.4247 7.5540 7.5540 7.6432 7.6432 7.6843 7.6843 7.7241 7.7241 7.8455 7.8455 7.8666 7.8666 7.9963 7.9963 8.1093 8.1093 8.5166 8.5166 8.5821 8.5821 8.9404 8.9404 9.1095 9.1095 9.1628 9.1628 k = 0.5000 0.2887 0.1809 ( 13358 PWs) bands (ev): -2.2070 -2.2070 -1.1091 -1.1091 1.1916 1.1916 1.8172 1.8172 2.3192 2.3192 3.3611 3.3611 3.4442 3.4442 3.9022 3.9022 4.0534 4.0534 4.8327 4.8327 4.9131 4.9131 4.9800 4.9800 5.4767 5.4767 5.5026 5.5026 5.5544 5.5544 5.6202 5.6202 5.9615 5.9615 6.0921 6.0921 6.3504 6.3504 6.4877 6.4877 6.5190 6.5190 6.6444 6.6444 6.9252 6.9252 7.0977 7.0977 7.1329 7.1329 7.1717 7.1717 7.4251 7.4251 7.5623 7.5623 7.6351 7.6351 7.6715 7.6715 7.7019 7.7019 7.8266 7.8266 7.8429 7.8429 8.0556 8.0556 8.0968 8.0968 8.5141 8.5141 8.5622 8.5622 8.9343 8.9343 9.0918 9.0918 9.1664 9.1664 k = 0.5000 0.2887 0.1551 ( 13358 PWs) bands (ev): -2.2169 -2.2169 -1.0935 -1.0935 1.1710 1.1710 1.8018 1.8018 2.3032 2.3032 3.3671 3.3671 3.4472 3.4472 3.8765 3.8765 4.1230 4.1230 4.8252 4.8252 4.9113 4.9113 5.0412 5.0412 5.4477 5.4477 5.5106 5.5106 5.5558 5.5558 5.6260 5.6260 5.9095 5.9095 6.0776 6.0776 6.3286 6.3286 6.4726 6.4726 6.5192 6.5192 6.6309 6.6309 6.8978 6.8978 7.1115 7.1115 7.1480 7.1480 7.1714 7.1714 7.4264 7.4264 7.5719 7.5719 7.6278 7.6278 7.6602 7.6602 7.6817 7.6817 7.7962 7.7962 7.8337 7.8337 8.0792 8.0792 8.1282 8.1282 8.5121 8.5121 8.5450 8.5450 8.9293 8.9293 9.0296 9.0296 9.2131 9.2131 k = 0.5000 0.2887 0.1292 ( 13358 PWs) bands (ev): -2.2253 -2.2253 -1.0802 -1.0802 1.1535 1.1535 1.7888 1.7888 2.2895 2.2895 3.3718 3.3718 3.4495 3.4495 3.8545 3.8545 4.1866 4.1866 4.8184 4.8184 4.9085 4.9085 5.1036 5.1036 5.4030 5.4030 5.5352 5.5352 5.5581 5.5581 5.6330 5.6330 5.8552 5.8552 6.0652 6.0652 6.3076 6.3076 6.4593 6.4593 6.5192 6.5192 6.6190 6.6190 6.8719 6.8719 7.1216 7.1216 7.1592 7.1592 7.1726 7.1726 7.4287 7.4287 7.5830 7.5830 7.6215 7.6215 7.6505 7.6505 7.6640 7.6640 7.7673 7.7673 7.8271 7.8271 8.0687 8.0687 8.1996 8.1996 8.5106 8.5106 8.5306 8.5306 8.9236 8.9236 8.9652 8.9652 9.2613 9.2613 k = 0.5000 0.2887 0.1034 ( 13368 PWs) bands (ev): -2.2322 -2.2322 -1.0691 -1.0691 1.1392 1.1392 1.7781 1.7781 2.2782 2.2782 3.3753 3.3753 3.4513 3.4513 3.8362 3.8362 4.2427 4.2427 4.8128 4.8128 4.9054 4.9054 5.1659 5.1659 5.3622 5.3622 5.5551 5.5551 5.5631 5.5631 5.6406 5.6406 5.7997 5.7997 6.0551 6.0551 6.2887 6.2887 6.4479 6.4479 6.5190 6.5190 6.6090 6.6090 6.8487 6.8487 7.1287 7.1287 7.1636 7.1636 7.1782 7.1782 7.4313 7.4313 7.5954 7.5954 7.6163 7.6163 7.6426 7.6426 7.6491 7.6491 7.7413 7.7413 7.8217 7.8217 8.0590 8.0590 8.2747 8.2747 8.5091 8.5091 8.5192 8.5192 8.8870 8.8870 8.9300 8.9300 9.3078 9.3078 k = 0.5000 0.2887 0.0775 ( 13372 PWs) bands (ev): -2.2375 -2.2375 -1.0604 -1.0604 1.1280 1.1280 1.7697 1.7697 2.2693 2.2693 3.3778 3.3778 3.4525 3.4525 3.8218 3.8218 4.2896 4.2896 4.8082 4.8082 4.9025 4.9025 5.2257 5.2257 5.3275 5.3275 5.5604 5.5604 5.5789 5.5789 5.6478 5.6478 5.7451 5.7451 6.0471 6.0471 6.2726 6.2726 6.4387 6.4387 6.5187 6.5187 6.6011 6.6011 6.8293 6.8293 7.1334 7.1334 7.1639 7.1639 7.1855 7.1855 7.4340 7.4340 7.6080 7.6080 7.6122 7.6122 7.6369 7.6369 7.6373 7.6373 7.7180 7.7180 7.8175 7.8175 8.0511 8.0511 8.3512 8.3512 8.5061 8.5061 8.5123 8.5123 8.8179 8.8179 8.9262 8.9262 9.3501 9.3501 k = 0.5000 0.2887 0.0517 ( 13384 PWs) bands (ev): -2.2414 -2.2414 -1.0541 -1.0541 1.1200 1.1200 1.7637 1.7637 2.2629 2.2629 3.3795 3.3795 3.4534 3.4534 3.8115 3.8115 4.3252 4.3252 4.8049 4.8049 4.9001 4.9001 5.2781 5.2781 5.3020 5.3020 5.5621 5.5621 5.5935 5.5935 5.6536 5.6536 5.6949 5.6949 6.0414 6.0414 6.2605 6.2605 6.4318 6.4318 6.5184 6.5184 6.5953 6.5953 6.8147 6.8147 7.1363 7.1363 7.1635 7.1635 7.1913 7.1913 7.4364 7.4364 7.6090 7.6090 7.6185 7.6185 7.6286 7.6286 7.6363 7.6363 7.6972 7.6972 7.8144 7.8144 8.0454 8.0454 8.4276 8.4276 8.5011 8.5011 8.5109 8.5109 8.7453 8.7453 8.9250 8.9250 9.3849 9.3849 k = 0.5000 0.2887 0.0258 ( 13394 PWs) bands (ev): -2.2437 -2.2437 -1.0503 -1.0503 1.1152 1.1152 1.7601 1.7601 2.2590 2.2590 3.3805 3.3805 3.4538 3.4538 3.8053 3.8053 4.3476 4.3476 4.8029 4.8029 4.8985 4.8985 5.2817 5.2817 5.3219 5.3219 5.5631 5.5631 5.6036 5.6036 5.6530 5.6530 5.6600 5.6600 6.0380 6.0380 6.2528 6.2528 6.4276 6.4276 6.5182 6.5182 6.5918 6.5918 6.8055 6.8055 7.1378 7.1378 7.1631 7.1631 7.1949 7.1949 7.4380 7.4380 7.6072 7.6072 7.6215 7.6215 7.6234 7.6234 7.6451 7.6451 7.6788 7.6788 7.8126 7.8126 8.0419 8.0419 8.4934 8.4934 8.4989 8.4989 8.5182 8.5182 8.6728 8.6728 8.9244 8.9244 9.4082 9.4082 k = 0.5000 0.2887-0.0000 ( 13372 PWs) bands (ev): -2.2445 -2.2445 -1.0491 -1.0491 1.1136 1.1136 1.7589 1.7589 2.2578 2.2578 3.3808 3.3808 3.4540 3.4540 3.8032 3.8032 4.3553 4.3553 4.8022 4.8022 4.8980 4.8980 5.2762 5.2762 5.3375 5.3375 5.5634 5.5634 5.6080 5.6080 5.6381 5.6381 5.6598 5.6598 6.0369 6.0369 6.2502 6.2502 6.4261 6.4261 6.5181 6.5181 6.5906 6.5906 6.8024 6.8024 7.1382 7.1382 7.1629 7.1629 7.1962 7.1962 7.4385 7.4385 7.6065 7.6065 7.6215 7.6215 7.6217 7.6217 7.6554 7.6554 7.6664 7.6664 7.8120 7.8120 8.0407 8.0407 8.4958 8.4958 8.5055 8.5055 8.5602 8.5602 8.6214 8.6214 8.9243 8.9243 9.4166 9.4166 k = 0.3333 0.5774-0.0000 ( 13362 PWs) bands (ev): -2.2390 -2.2390 -1.0488 -1.0488 1.3567 1.3567 1.3607 1.3607 2.3477 2.3477 3.2412 3.2412 3.8195 3.8195 3.9490 3.9490 3.9693 3.9693 4.7665 4.7665 4.7914 4.7914 5.3966 5.3966 5.4031 5.4031 5.6186 5.6186 5.6188 5.6188 5.7222 5.7222 5.9715 5.9715 5.9942 5.9942 6.2229 6.2229 6.2308 6.2308 6.3905 6.3905 6.4197 6.4197 6.9235 6.9235 6.9254 6.9254 7.1270 7.1270 7.4431 7.4431 7.5327 7.5327 7.5500 7.5500 7.5512 7.5512 7.5957 7.5957 7.6774 7.6774 7.6841 7.6841 7.8661 7.8661 8.0215 8.0215 8.4156 8.4156 8.5515 8.5515 8.9251 8.9251 9.0569 9.0569 9.0774 9.0774 9.1015 9.1015 k = 0.3333 0.5774 0.0258 ( 13386 PWs) bands (ev): -2.2383 -2.2383 -1.0501 -1.0501 1.3582 1.3582 1.3623 1.3623 2.3488 2.3488 3.2409 3.2409 3.8216 3.8216 3.9478 3.9478 3.9680 3.9680 4.7619 4.7619 4.7869 4.7869 5.3983 5.3983 5.4049 5.4049 5.6169 5.6169 5.6172 5.6172 5.7205 5.7205 5.9760 5.9760 5.9991 5.9991 6.2242 6.2242 6.2324 6.2324 6.3911 6.3911 6.4202 6.4202 6.9246 6.9246 6.9264 6.9264 7.1247 7.1247 7.4429 7.4429 7.5309 7.5309 7.5488 7.5488 7.5525 7.5525 7.5991 7.5991 7.6803 7.6803 7.6867 7.6867 7.8645 7.8645 8.0226 8.0226 8.4155 8.4155 8.5449 8.5449 8.9325 8.9325 9.0281 9.0281 9.0374 9.0374 9.1325 9.1325 k = 0.3333 0.5774 0.0517 ( 13401 PWs) bands (ev): -2.2360 -2.2360 -1.0539 -1.0539 1.3628 1.3628 1.3669 1.3669 2.3519 2.3519 3.2400 3.2400 3.8279 3.8279 3.9443 3.9443 3.9640 3.9640 4.7486 4.7486 4.7736 4.7736 5.4034 5.4034 5.4102 5.4102 5.6122 5.6122 5.6127 5.6127 5.7155 5.7155 5.9890 5.9890 6.0132 6.0132 6.2279 6.2279 6.2372 6.2372 6.3929 6.3929 6.4217 6.4217 6.9278 6.9278 6.9293 6.9293 7.1177 7.1177 7.4424 7.4424 7.5267 7.5267 7.5430 7.5430 7.5592 7.5592 7.6078 7.6078 7.6888 7.6888 7.6942 7.6942 7.8598 7.8598 8.0256 8.0256 8.4155 8.4155 8.5274 8.5274 8.9430 8.9430 8.9860 8.9860 8.9979 8.9979 9.1783 9.1783 k = 0.3333 0.5774 0.0775 ( 13392 PWs) bands (ev): -2.2322 -2.2322 -1.0602 -1.0602 1.3704 1.3704 1.3745 1.3745 2.3571 2.3571 3.2385 3.2385 3.8384 3.8384 3.9381 3.9381 3.9571 3.9571 4.7277 4.7277 4.7530 4.7530 5.4112 5.4112 5.4183 5.4183 5.6052 5.6052 5.6059 5.6059 5.7078 5.7078 6.0092 6.0092 6.0353 6.0353 6.2340 6.2340 6.2448 6.2448 6.3960 6.3960 6.4242 6.4242 6.9331 6.9331 6.9342 6.9342 7.1058 7.1058 7.4415 7.4415 7.5212 7.5212 7.5358 7.5358 7.5691 7.5691 7.6200 7.6200 7.7023 7.7023 7.7066 7.7066 7.8521 7.8521 8.0307 8.0307 8.4155 8.4155 8.5042 8.5042 8.9180 8.9180 8.9353 8.9353 9.0141 9.0141 9.2241 9.2241 k = 0.3333 0.5774 0.1034 ( 13386 PWs) bands (ev): -2.2269 -2.2269 -1.0689 -1.0689 1.3811 1.3811 1.3852 1.3852 2.3644 2.3644 3.2363 3.2363 3.8530 3.8530 3.9288 3.9288 3.9468 3.9468 4.7009 4.7009 4.7266 4.7266 5.4209 5.4209 5.4285 5.4285 5.5971 5.5971 5.5982 5.5982 5.6978 5.6978 6.0352 6.0352 6.0636 6.0636 6.2426 6.2426 6.2544 6.2544 6.4006 6.4006 6.4280 6.4280 6.9404 6.9404 6.9410 6.9410 7.0889 7.0889 7.4401 7.4401 7.5149 7.5149 7.5282 7.5282 7.5823 7.5823 7.6348 7.6348 7.7204 7.7204 7.7232 7.7232 7.8415 7.8415 8.0377 8.0377 8.4156 8.4156 8.4799 8.4799 8.8765 8.8765 8.8859 8.8859 9.0548 9.0549 9.2671 9.2671 k = 0.3333 0.5774 0.1292 ( 13380 PWs) bands (ev): -2.2201 -2.2201 -1.0801 -1.0801 1.3948 1.3948 1.3989 1.3989 2.3735 2.3735 3.2335 3.2335 3.8716 3.8716 3.9157 3.9157 3.9326 3.9326 4.6704 4.6704 4.6966 4.6966 5.4313 5.4313 5.4394 5.4394 5.5894 5.5894 5.5908 5.5908 5.6862 5.6862 6.0652 6.0652 6.0963 6.0963 6.2536 6.2536 6.2654 6.2654 6.4068 6.4068 6.4331 6.4331 6.9494 6.9494 6.9495 6.9495 7.0666 7.0666 7.4382 7.4382 7.5079 7.5079 7.5204 7.5204 7.5985 7.5985 7.6517 7.6517 7.7424 7.7424 7.7439 7.7439 7.8287 7.8287 8.0467 8.0467 8.4158 8.4158 8.4582 8.4582 8.8338 8.8338 8.8384 8.8384 9.1019 9.1019 9.3049 9.3049 k = 0.3333 0.5774 0.1551 ( 13392 PWs) bands (ev): -2.2118 -2.2118 -1.0935 -1.0935 1.4115 1.4115 1.4156 1.4156 2.3846 2.3846 3.2299 3.2299 3.8933 3.8933 3.8979 3.8979 3.9144 3.9144 4.6384 4.6384 4.6653 4.6653 5.4403 5.4403 5.4489 5.4489 5.5840 5.5840 5.5859 5.5859 5.6736 5.6736 6.0977 6.0977 6.1319 6.1319 6.2669 6.2669 6.2769 6.2769 6.4148 6.4148 6.4399 6.4399 6.9596 6.9596 6.9602 6.9602 7.0385 7.0385 7.4357 7.4357 7.5004 7.5004 7.5126 7.5126 7.6176 7.6176 7.6706 7.6706 7.7679 7.7679 7.7679 7.7679 7.8145 7.8145 8.0576 8.0576 8.4162 8.4162 8.4411 8.4411 8.7921 8.7921 8.7929 8.7929 9.1508 9.1508 9.3349 9.3349 k = 0.3333 0.5774 0.1809 ( 13386 PWs) bands (ev): -2.2020 -2.2020 -1.1091 -1.1091 1.4312 1.4312 1.4353 1.4353 2.3974 2.3974 3.2256 3.2256 3.8746 3.8746 3.8868 3.8868 3.9230 3.9230 4.6071 4.6071 4.6347 4.6347 5.4452 5.4452 5.4543 5.4543 5.5837 5.5837 5.5861 5.5861 5.6606 5.6606 6.1311 6.1311 6.1689 6.1689 6.2823 6.2823 6.2883 6.2883 6.4250 6.4250 6.4487 6.4487 6.9711 6.9711 6.9724 6.9724 7.0046 7.0046 7.4324 7.4324 7.4925 7.4925 7.5047 7.5047 7.6393 7.6393 7.6911 7.6911 7.7919 7.7919 7.7968 7.7968 7.8035 7.8035 8.0701 8.0701 8.4170 8.4170 8.4299 8.4299 8.7495 8.7495 8.7522 8.7522 9.1992 9.1992 9.3552 9.3552 k = 0.3333 0.5774 0.2067 ( 13377 PWs) bands (ev): -2.1908 -2.1908 -1.1268 -1.1268 1.4538 1.4538 1.4579 1.4579 2.4119 2.4119 3.2204 3.2204 3.8449 3.8449 3.8560 3.8560 3.9535 3.9535 4.5783 4.5783 4.6067 4.6067 5.4435 5.4435 5.4530 5.4530 5.5909 5.5909 5.5937 5.5937 5.6481 5.6481 6.1644 6.1644 6.2058 6.2058 6.2970 6.2970 6.3015 6.3015 6.4377 6.4377 6.4599 6.4599 6.9635 6.9635 6.9848 6.9848 6.9860 6.9860 7.4282 7.4282 7.4841 7.4841 7.4966 7.4966 7.6633 7.6633 7.7125 7.7125 7.7853 7.7853 7.8276 7.8276 7.8285 7.8285 8.0844 8.0844 8.4182 8.4182 8.4250 8.4250 8.7084 8.7084 8.7142 8.7142 9.2455 9.2455 9.3656 9.3656 k = 0.3333 0.5774 0.2326 ( 13401 PWs) bands (ev): -2.1781 -2.1781 -1.1464 -1.1464 1.4794 1.4794 1.4835 1.4835 2.4280 2.4280 3.2143 3.2143 3.8083 3.8083 3.8179 3.8179 3.9883 3.9883 4.5538 4.5538 4.5828 4.5828 5.4344 5.4344 5.4443 5.4443 5.6061 5.6061 5.6080 5.6080 5.6374 5.6374 6.1964 6.1964 6.2415 6.2415 6.3056 6.3056 6.3211 6.3211 6.4530 6.4530 6.4740 6.4740 6.9170 6.9170 6.9985 6.9985 7.0006 7.0006 7.4229 7.4229 7.4751 7.4751 7.4881 7.4881 7.6890 7.6890 7.7328 7.7328 7.7771 7.7771 7.8605 7.8605 7.8630 7.8630 8.1002 8.1002 8.4199 8.4199 8.4265 8.4265 8.6695 8.6695 8.6784 8.6784 9.2882 9.2882 9.3680 9.3680 k = 0.3333 0.5774 0.2584 ( 13386 PWs) bands (ev): -2.1641 -2.1641 -1.1679 -1.1679 1.5079 1.5079 1.5120 1.5120 2.4456 2.4456 3.2073 3.2073 3.7646 3.7646 3.7728 3.7728 4.0271 4.0271 4.5344 4.5344 4.5639 4.5639 5.4192 5.4192 5.4295 5.4295 5.6166 5.6166 5.6281 5.6281 5.6402 5.6402 6.2263 6.2263 6.2747 6.2747 6.3111 6.3111 6.3433 6.3433 6.4713 6.4713 6.4913 6.4913 6.8640 6.8640 7.0135 7.0135 7.0160 7.0160 7.4164 7.4164 7.4657 7.4657 7.4793 7.4793 7.7160 7.7160 7.7460 7.7460 7.7802 7.7802 7.8963 7.8963 7.9000 7.9000 8.1174 8.1174 8.4221 8.4221 8.4341 8.4341 8.6329 8.6329 8.6448 8.6448 9.3249 9.3249 9.3663 9.3663 k = 0.3333 0.5774 0.2843 ( 13401 PWs) bands (ev): -2.1486 -2.1486 -1.1911 -1.1911 1.5392 1.5392 1.5433 1.5433 2.4645 2.4645 3.1992 3.1992 3.7139 3.7139 3.7209 3.7209 4.0698 4.0698 4.5208 4.5208 4.5505 4.5505 5.3994 5.3994 5.4102 5.4102 5.6096 5.6096 5.6553 5.6553 5.6648 5.6648 6.2536 6.2536 6.3045 6.3045 6.3137 6.3137 6.3676 6.3676 6.4924 6.4924 6.5122 6.5122 6.8049 6.8049 7.0291 7.0291 7.0319 7.0319 7.4084 7.4084 7.4557 7.4557 7.4701 7.4701 7.7436 7.7436 7.7501 7.7501 7.7975 7.7975 7.9345 7.9345 7.9393 7.9393 8.1358 8.1358 8.4251 8.4251 8.4469 8.4469 8.5987 8.5987 8.6134 8.6134 9.3461 9.3461 9.3717 9.3717 k = 0.3333 0.5774 0.3101 ( 13392 PWs) bands (ev): -2.1319 -2.1319 -1.2159 -1.2159 1.5733 1.5733 1.5774 1.5774 2.4846 2.4846 3.1900 3.1900 3.6569 3.6569 3.6630 3.6630 4.1163 4.1163 4.5129 4.5129 4.5426 4.5426 5.3761 5.3761 5.3875 5.3875 5.6015 5.6015 5.6863 5.6863 5.6959 5.6959 6.2780 6.2780 6.3114 6.3114 6.3318 6.3318 6.3939 6.3939 6.5161 6.5161 6.5364 6.5364 6.7403 6.7403 7.0450 7.0450 7.0480 7.0480 7.3989 7.3989 7.4456 7.4456 7.4607 7.4607 7.7547 7.7547 7.7711 7.7711 7.8193 7.8193 7.9751 7.9751 7.9808 7.9808 8.1553 8.1553 8.4290 8.4290 8.4643 8.4643 8.5667 8.5667 8.5844 8.5844 9.3450 9.3450 9.3924 9.3924 k = 0.3333 0.5774 0.3360 ( 13398 PWs) bands (ev): -2.1138 -2.1138 -1.2420 -1.2420 1.6103 1.6103 1.6144 1.6144 2.5058 2.5058 3.1797 3.1797 3.5943 3.5943 3.5997 3.5997 4.1663 4.1663 4.5104 4.5104 4.5398 4.5398 5.3501 5.3501 5.3620 5.3620 5.5946 5.5946 5.7202 5.7202 5.7305 5.7305 6.2996 6.2996 6.3060 6.3060 6.3546 6.3546 6.4221 6.4221 6.5418 6.5418 6.5635 6.5635 6.6709 6.6709 7.0609 7.0609 7.0637 7.0637 7.3876 7.3876 7.4356 7.4356 7.4514 7.4514 7.7641 7.7641 7.7977 7.7977 7.8411 7.8411 8.0178 8.0178 8.0243 8.0243 8.1756 8.1756 8.4337 8.4337 8.4852 8.4852 8.5371 8.5371 8.5584 8.5584 9.3404 9.3404 9.4037 9.4037 k = 0.3333 0.5774 0.3618 ( 13398 PWs) bands (ev): -2.0944 -2.0944 -1.2695 -1.2695 1.6499 1.6499 1.6540 1.6540 2.5280 2.5280 3.1683 3.1683 3.5271 3.5271 3.5319 3.5319 4.2199 4.2199 4.5129 4.5129 4.5417 4.5417 5.3219 5.3219 5.3343 5.3343 5.5894 5.5894 5.7566 5.7566 5.7676 5.7676 6.2964 6.2964 6.3186 6.3186 6.3742 6.3742 6.4520 6.4520 6.5690 6.5690 6.5905 6.5905 6.5994 6.5994 7.0762 7.0762 7.0785 7.0785 7.3744 7.3744 7.4263 7.4263 7.4426 7.4426 7.7797 7.7797 7.8223 7.8223 7.8611 7.8611 8.0624 8.0624 8.0696 8.0696 8.1967 8.1967 8.4392 8.4392 8.5048 8.5048 8.5100 8.5100 8.5395 8.5395 9.3377 9.3377 9.3998 9.3998 k = 0.3333 0.5774 0.3876 ( 13398 PWs) bands (ev): -2.0738 -2.0738 -1.2981 -1.2981 1.6922 1.6922 1.6964 1.6964 2.5512 2.5512 3.1556 3.1556 3.4562 3.4562 3.4606 3.4606 4.2768 4.2768 4.5197 4.5197 4.5478 4.5478 5.2918 5.2918 5.3047 5.3047 5.5861 5.5861 5.7948 5.7948 5.8067 5.8067 6.2827 6.2827 6.3353 6.3353 6.3908 6.3908 6.4834 6.4834 6.5201 6.5201 6.5970 6.5970 6.6233 6.6233 7.0901 7.0901 7.0914 7.0914 7.3591 7.3591 7.4185 7.4185 7.4351 7.4351 7.8014 7.8014 7.8441 7.8441 7.8782 7.8782 8.1087 8.1087 8.1165 8.1165 8.2183 8.2183 8.4455 8.4455 8.4855 8.4855 8.5014 8.5014 8.5489 8.5489 9.3380 9.3380 9.3998 9.3998 k = 0.3333 0.5774 0.4135 ( 13380 PWs) bands (ev): -2.0520 -2.0520 -1.3277 -1.3277 1.7372 1.7372 1.7413 1.7413 2.5751 2.5751 3.1416 3.1416 3.3823 3.3823 3.3866 3.3866 4.3370 4.3370 4.5303 4.5303 4.5577 4.5577 5.2602 5.2602 5.2735 5.2735 5.5845 5.5845 5.8346 5.8346 5.8473 5.8473 6.2649 6.2649 6.3497 6.3497 6.4047 6.4047 6.4409 6.4409 6.5167 6.5167 6.6251 6.6251 6.6539 6.6539 7.1016 7.1016 7.1019 7.1019 7.3417 7.3417 7.4133 7.4133 7.4297 7.4297 7.8293 7.8293 7.8620 7.8620 7.8915 7.8915 8.1561 8.1561 8.1645 8.1645 8.2403 8.2403 8.4525 8.4525 8.4642 8.4642 8.4848 8.4848 8.5765 8.5765 9.3416 9.3416 9.4044 9.4044 k = 0.3333 0.5774 0.4393 ( 13380 PWs) bands (ev): -2.0291 -2.0291 -1.3581 -1.3581 1.7847 1.7847 1.7889 1.7889 2.5997 2.5997 3.1264 3.1264 3.3064 3.3064 3.3105 3.3105 4.4003 4.4003 4.5443 4.5443 4.5708 4.5708 5.2273 5.2273 5.2410 5.2410 5.5845 5.5845 5.8755 5.8755 5.8892 5.8892 6.2433 6.2433 6.3597 6.3597 6.3619 6.3619 6.4171 6.4171 6.5512 6.5512 6.6529 6.6529 6.6842 6.6842 7.1077 7.1077 7.1105 7.1105 7.3221 7.3221 7.4120 7.4120 7.4277 7.4277 7.8622 7.8622 7.8752 7.8752 7.9010 7.9010 8.2040 8.2040 8.2129 8.2129 8.2624 8.2624 8.4466 8.4466 8.4597 8.4597 8.4695 8.4695 8.6072 8.6072 9.3472 9.3472 9.4110 9.4111 k = 0.3333 0.5774 0.4652 ( 13386 PWs) bands (ev): -2.0051 -2.0051 -1.3893 -1.3893 1.8348 1.8348 1.8389 1.8389 2.6250 2.6250 3.1100 3.1100 3.2289 3.2289 3.2330 3.2330 4.4665 4.4665 4.5613 4.5613 4.5869 4.5869 5.1933 5.1933 5.2073 5.2073 5.5857 5.5857 5.9172 5.9172 5.9319 5.9319 6.2173 6.2173 6.2799 6.2799 6.3719 6.3719 6.4261 6.4261 6.5869 6.5869 6.6801 6.6801 6.7137 6.7137 7.1090 7.1090 7.1150 7.1150 7.3002 7.3002 7.4156 7.4156 7.4300 7.4300 7.8828 7.8828 7.8921 7.8921 7.9137 7.9137 8.2515 8.2515 8.2610 8.2610 8.2845 8.2845 8.4334 8.4334 8.4573 8.4573 8.4674 8.4674 8.6380 8.6380 9.3492 9.3492 9.4054 9.4054 k = 0.3333 0.5774 0.4910 ( 13383 PWs) bands (ev): -1.9800 -1.9800 -1.4211 -1.4211 1.8873 1.8873 1.8914 1.8914 2.6507 2.6507 3.0921 3.0921 3.1505 3.1505 3.1548 3.1548 4.5355 4.5355 4.5808 4.5808 4.6055 4.6055 5.1585 5.1585 5.1727 5.1727 5.5871 5.5871 5.9593 5.9593 5.9750 5.9750 6.1795 6.1795 6.2100 6.2100 6.3794 6.3794 6.4327 6.4327 6.6238 6.6238 6.7064 6.7064 6.7422 6.7422 7.1048 7.1048 7.1147 7.1147 7.2762 7.2762 7.4248 7.4248 7.4374 7.4374 7.8842 7.8842 7.8957 7.8957 7.9522 7.9522 8.2976 8.2976 8.3065 8.3065 8.3076 8.3076 8.4252 8.4252 8.4497 8.4497 8.4745 8.4745 8.6667 8.6667 9.3399 9.3399 9.4132 9.4132 k = 0.3333 0.5774 0.5169 ( 13362 PWs) bands (ev): -1.9539 -1.9539 -1.4534 -1.4534 1.9422 1.9422 1.9463 1.9463 2.6768 2.6768 3.0691 3.0691 3.0716 3.0716 3.0801 3.0801 4.6027 4.6027 4.6069 4.6069 4.6266 4.6266 5.1230 5.1230 5.1375 5.1375 5.5875 5.5875 6.0014 6.0014 6.0181 6.0181 6.1122 6.1122 6.1703 6.1703 6.3843 6.3843 6.4363 6.4363 6.6616 6.6616 6.7320 6.7320 6.7697 6.7697 7.0953 7.0953 7.1095 7.1095 7.2500 7.2500 7.4396 7.4396 7.4502 7.4502 7.8791 7.8791 7.8878 7.8878 8.0006 8.0006 8.3280 8.3280 8.3413 8.3413 8.3518 8.3518 8.4223 8.4223 8.4465 8.4465 8.4810 8.4810 8.6909 8.6909 9.3231 9.3231 9.4334 9.4334 k = 0.3333 0.5774 0.5427 ( 13365 PWs) bands (ev): -1.9268 -1.9268 -1.4860 -1.4860 1.9995 1.9995 2.0036 2.0036 2.7033 2.7033 2.9925 2.9925 2.9958 2.9958 3.0545 3.0545 4.6266 4.6266 4.6492 4.6492 4.6812 4.6812 5.0870 5.0870 5.1018 5.1018 5.5845 5.5845 6.0408 6.0408 6.0433 6.0433 6.0602 6.0602 6.1390 6.1390 6.3861 6.3861 6.4367 6.4367 6.7002 6.7002 6.7569 6.7569 6.7961 6.7961 7.0813 7.0813 7.0998 7.0998 7.2217 7.2217 7.4593 7.4593 7.4681 7.4681 7.8675 7.8675 7.8737 7.8737 8.0538 8.0538 8.3491 8.3491 8.3813 8.3813 8.3920 8.3920 8.4248 8.4248 8.4477 8.4477 8.4864 8.4864 8.7073 8.7073 9.3077 9.3077 9.4610 9.4610 k = 0.3333 0.5774 0.5685 ( 13371 PWs) bands (ev): -1.8989 -1.8989 -1.5190 -1.5190 2.0589 2.0589 2.0630 2.0630 2.7299 2.7299 2.9137 2.9137 2.9172 2.9172 3.0333 3.0333 4.6524 4.6524 4.6742 4.6742 4.7572 4.7572 5.0508 5.0508 5.0659 5.0659 5.5743 5.5743 5.9778 5.9778 6.0845 6.0845 6.0898 6.0898 6.1196 6.1196 6.3845 6.3845 6.4335 6.4335 6.7394 6.7394 6.7812 6.7812 6.8216 6.8216 7.0637 7.0637 7.0862 7.0862 7.1915 7.1915 7.4832 7.4832 7.4903 7.4903 7.8501 7.8501 7.8543 7.8543 8.1105 8.1105 8.3696 8.3696 8.4165 8.4165 8.4258 8.4258 8.4336 8.4336 8.4531 8.4531 8.4904 8.4904 8.7125 8.7125 9.2996 9.2996 9.4938 9.4938 k = 0.3333 0.5774 0.5944 ( 13365 PWs) bands (ev): -1.8701 -1.8701 -1.5520 -1.5520 2.1206 2.1206 2.1247 2.1247 2.7567 2.7567 2.8353 2.8353 2.8390 2.8390 3.0113 3.0113 4.6799 4.6799 4.7008 4.7008 4.8351 4.8351 5.0145 5.0145 5.0300 5.0300 5.5520 5.5520 5.9288 5.9288 6.0681 6.0681 6.1245 6.1245 6.1504 6.1504 6.3793 6.3793 6.4263 6.4263 6.7790 6.7790 6.8051 6.8051 6.8464 6.8464 7.0434 7.0434 7.0697 7.0697 7.1595 7.1595 7.5104 7.5104 7.5162 7.5162 7.8277 7.8277 7.8305 7.8305 8.1702 8.1702 8.3892 8.3892 8.4413 8.4413 8.4455 8.4455 8.4583 8.4583 8.4620 8.4620 8.4926 8.4926 8.7040 8.7040 9.3031 9.3031 9.5301 9.5301 k = 0.3333 0.5774 0.6202 ( 13380 PWs) bands (ev): -1.8405 -1.8405 -1.5851 -1.5851 2.1844 2.1844 2.1884 2.1884 2.7577 2.7577 2.7614 2.7614 2.7836 2.7836 2.9883 2.9883 4.7088 4.7088 4.7289 4.7289 4.9142 4.9142 4.9782 4.9782 4.9944 4.9944 5.5136 5.5136 5.8984 5.8984 6.0369 6.0369 6.1631 6.1631 6.1896 6.1896 6.3702 6.3702 6.4150 6.4150 6.8190 6.8190 6.8288 6.8288 6.8707 6.8707 7.0212 7.0212 7.0510 7.0510 7.1258 7.1258 7.5402 7.5402 7.5448 7.5448 7.8013 7.8013 7.8032 7.8032 8.2319 8.2319 8.4077 8.4077 8.4548 8.4548 8.4659 8.4659 8.4746 8.4746 8.4809 8.4809 8.4933 8.4933 8.6810 8.6810 9.3197 9.3197 9.5692 9.5692 k = 0.3333 0.5774 0.6461 ( 13374 PWs) bands (ev): -1.8103 -1.8103 -1.6182 -1.6182 2.2501 2.2501 2.2542 2.2542 2.6811 2.6811 2.6848 2.6848 2.8104 2.8104 2.9646 2.9646 4.7392 4.7392 4.7585 4.7585 4.9422 4.9422 4.9569 4.9569 4.9969 4.9969 5.4591 5.4591 5.8865 5.8865 6.0056 6.0056 6.1998 6.1998 6.2279 6.2279 6.3571 6.3571 6.3995 6.3995 6.8526 6.8526 6.8589 6.8589 6.8946 6.8946 6.9978 6.9978 7.0307 7.0307 7.0907 7.0907 7.5718 7.5718 7.5756 7.5756 7.7717 7.7717 7.7732 7.7732 8.2951 8.2951 8.4249 8.4249 8.4691 8.4691 8.4791 8.4791 8.4849 8.4849 8.4954 8.4954 8.4966 8.4966 8.6450 8.6450 9.3487 9.3487 9.6098 9.6098 k = 0.3333 0.5774 0.6719 ( 13392 PWs) bands (ev): -1.7794 -1.7794 -1.6511 -1.6511 2.3178 2.3178 2.3218 2.3218 2.6055 2.6055 2.6094 2.6094 2.8370 2.8370 2.9402 2.9402 4.7707 4.7707 4.7893 4.7893 4.9065 4.9065 4.9226 4.9226 5.0774 5.0774 5.3925 5.3925 5.8894 5.8894 5.9755 5.9755 6.2340 6.2340 6.2642 6.2642 6.3400 6.3400 6.3798 6.3798 6.8765 6.8765 6.8986 6.8986 6.9183 6.9183 6.9737 6.9737 7.0093 7.0093 7.0544 7.0544 7.6048 7.6048 7.6078 7.6078 7.7399 7.7399 7.7414 7.7414 8.3586 8.3586 8.4407 8.4407 8.4821 8.4821 8.4829 8.4829 8.4909 8.4909 8.5026 8.5026 8.5052 8.5052 8.5989 8.5989 9.3880 9.3880 9.6024 9.6024 k = 0.3333 0.5774 0.6977 ( 13392 PWs) bands (ev): -1.7480 -1.7480 -1.6837 -1.6837 2.3873 2.3873 2.3913 2.3913 2.5313 2.5313 2.5352 2.5352 2.8634 2.8634 2.9151 2.9151 4.8034 4.8034 4.8213 4.8213 4.8714 4.8714 4.8881 4.8881 5.1589 5.1589 5.3182 5.3182 5.9025 5.9025 5.9474 5.9474 6.2656 6.2656 6.2980 6.2980 6.3189 6.3189 6.3562 6.3562 6.9006 6.9006 6.9365 6.9365 6.9429 6.9429 6.9493 6.9493 6.9872 6.9872 7.0171 7.0171 7.6386 7.6386 7.6411 7.6411 7.7067 7.7067 7.7084 7.7084 8.4207 8.4207 8.4552 8.4552 8.4758 8.4758 8.4948 8.4948 8.4995 8.4995 8.5063 8.5063 8.5072 8.5072 8.5455 8.5455 9.4350 9.4350 9.5440 9.5440 k = 0.3333 0.5774 0.7236 ( 13392 PWs) bands (ev): -1.7161 -1.7161 -1.7161 -1.7161 2.4585 2.4585 2.4585 2.4585 2.4624 2.4624 2.4624 2.4624 2.8895 2.8895 2.8895 2.8895 4.8370 4.8370 4.8370 4.8370 4.8543 4.8543 4.8543 4.8543 5.2396 5.2396 5.2396 5.2396 5.9226 5.9226 5.9226 5.9226 6.2940 6.2940 6.2940 6.2940 6.3288 6.3288 6.3288 6.3288 6.9249 6.9249 6.9249 6.9249 6.9624 6.9624 6.9624 6.9624 6.9800 6.9800 6.9800 6.9800 7.6728 7.6728 7.6728 7.6728 7.6747 7.6747 7.6747 7.6747 8.4617 8.4617 8.4617 8.4617 8.4896 8.4896 8.4896 8.4896 8.5034 8.5034 8.5034 8.5034 8.5051 8.5051 8.5051 8.5051 9.4876 9.4876 9.4876 9.4876 Writing output data file Zr5Al3C.save init_run : 0.40s CPU 0.55s WALL ( 1 calls) electrons : 804.01s CPU 811.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 804.00s CPU 811.15s 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 : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.16s WALL ( 217 calls) cegterg : 729.92s CPU 735.83s WALL ( 693 calls) Called by sum_band: Called by *egterg: h_psi : 449.16s CPU 455.00s WALL ( 12971 calls) s_psi : 36.32s CPU 36.35s WALL ( 12971 calls) g_psi : 0.86s CPU 0.82s WALL ( 12061 calls) cdiaghg : 221.96s CPU 221.89s WALL ( 12278 calls) cegterg:over : 34.10s CPU 34.41s WALL ( 12061 calls) cegterg:upda : 26.10s CPU 26.46s WALL ( 12061 calls) cegterg:last : 15.66s CPU 15.75s WALL ( 1819 calls) cdiaghg:chol : 9.82s CPU 9.80s WALL ( 12278 calls) cdiaghg:inve : 7.21s CPU 6.95s WALL ( 12278 calls) cdiaghg:para : 13.21s CPU 13.29s WALL ( 24556 calls) Called by h_psi: h_psi:vloc : 361.84s CPU 367.61s WALL ( 12971 calls) h_psi:vnl : 86.27s CPU 86.35s WALL ( 12971 calls) add_vuspsi : 44.32s CPU 44.28s WALL ( 12971 calls) General routines calbec : 41.87s CPU 42.02s WALL ( 12971 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 346.73s CPU 352.53s WALL ( 1772380 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.37s WALL ( 434 calls) Parallel routines fft_scatter : 201.48s CPU 205.65s WALL ( 1772403 calls) PWSCF : 14m 9.14s CPU 14m33.44s WALL This run was terminated on: 6: 5: 0 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=