Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 23:50:55 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: ./BaZrSe3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 35 10 1205 1205 176 Max 36 36 11 1212 1212 182 Sum 2539 2539 721 86913 86913 12843 bravais-lattice index = 14 lattice parameter (alat) = 13.5834 a.u. unit-cell volume = 1819.2833 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.583350 celldm(2)= 1.000000 celldm(3)= 0.838203 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 0.838203 ) 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 1.193029 ) 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ba 10.00 137.32700 Ba( 1.00) Se 6.00 78.96000 Se( 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 ) ( -0.4191013 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4191013 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4191013 ) 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 ) ( -0.4191013 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4191013 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4191013 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4191013 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4191013 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4191013 ) 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 ) ( 0.4191013 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4191013 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4191013 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0043103 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0043103 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0043103 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0043103 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0043103 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0043103 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0043103 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0043103 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0043103 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0043103 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0043103 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0043103 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0043103 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0043103 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0043103 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0043103 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0043103 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0043103 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0043103 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0043103 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0043103 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0043103 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0043103 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0043103 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0043103 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0043103 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0043103 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0043103 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0043103 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0043103 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0043103 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0043103 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0043103 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0043103 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0043103 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0043103 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0043103 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0043103 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0043103 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0043103 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0043103 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0043103 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0043103 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0043103 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0043103 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0043103 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0043103 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0043103 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0043103 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0043103 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0043103 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0043103 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0043103 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0043103 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0043103 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0043103 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0043103 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0043103 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0043103 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0043103 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0043103 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0043103 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0043103 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0043103 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0043103 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0043103 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0043103 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 76) = ( 0.0000000 0.0000000 0.0220931), wk = 0.0043103 k( 77) = ( 0.0000000 0.0000000 0.0441863), wk = 0.0043103 k( 78) = ( 0.0000000 0.0000000 0.0662794), wk = 0.0043103 k( 79) = ( 0.0000000 0.0000000 0.0883725), wk = 0.0043103 k( 80) = ( 0.0000000 0.0000000 0.1104656), wk = 0.0043103 k( 81) = ( 0.0000000 0.0000000 0.1325588), wk = 0.0043103 k( 82) = ( 0.0000000 0.0000000 0.1546519), wk = 0.0043103 k( 83) = ( 0.0000000 0.0000000 0.1767450), wk = 0.0043103 k( 84) = ( 0.0000000 0.0000000 0.1988382), wk = 0.0043103 k( 85) = ( 0.0000000 0.0000000 0.2209313), wk = 0.0043103 k( 86) = ( 0.0000000 0.0000000 0.2430244), wk = 0.0043103 k( 87) = ( 0.0000000 0.0000000 0.2651176), wk = 0.0043103 k( 88) = ( 0.0000000 0.0000000 0.2872107), wk = 0.0043103 k( 89) = ( 0.0000000 0.0000000 0.3093038), wk = 0.0043103 k( 90) = ( 0.0000000 0.0000000 0.3313970), wk = 0.0043103 k( 91) = ( 0.0000000 0.0000000 0.3534901), wk = 0.0043103 k( 92) = ( 0.0000000 0.0000000 0.3755832), wk = 0.0043103 k( 93) = ( 0.0000000 0.0000000 0.3976763), wk = 0.0043103 k( 94) = ( 0.0000000 0.0000000 0.4197695), wk = 0.0043103 k( 95) = ( 0.0000000 0.0000000 0.4418626), wk = 0.0043103 k( 96) = ( 0.0000000 0.0000000 0.4639557), wk = 0.0043103 k( 97) = ( 0.0000000 0.0000000 0.4860489), wk = 0.0043103 k( 98) = ( 0.0000000 0.0000000 0.5081420), wk = 0.0043103 k( 99) = ( 0.0000000 0.0000000 0.5302351), wk = 0.0043103 k( 100) = ( 0.0000000 0.0000000 0.5523283), wk = 0.0043103 k( 101) = ( 0.0000000 0.0000000 0.5744214), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.5965145), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.5965145), wk = 0.0043103 k( 104) = ( 0.0192308 0.0111029 0.5965145), wk = 0.0043103 k( 105) = ( 0.0384615 0.0222058 0.5965145), wk = 0.0043103 k( 106) = ( 0.0576923 0.0333087 0.5965145), wk = 0.0043103 k( 107) = ( 0.0769231 0.0444116 0.5965145), wk = 0.0043103 k( 108) = ( 0.0961538 0.0555145 0.5965145), wk = 0.0043103 k( 109) = ( 0.1153846 0.0666173 0.5965145), wk = 0.0043103 k( 110) = ( 0.1346154 0.0777202 0.5965145), wk = 0.0043103 k( 111) = ( 0.1538461 0.0888231 0.5965145), wk = 0.0043103 k( 112) = ( 0.1730769 0.0999260 0.5965145), wk = 0.0043103 k( 113) = ( 0.1923077 0.1110289 0.5965145), wk = 0.0043103 k( 114) = ( 0.2115385 0.1221318 0.5965145), wk = 0.0043103 k( 115) = ( 0.2307692 0.1332347 0.5965145), wk = 0.0043103 k( 116) = ( 0.2500000 0.1443376 0.5965145), wk = 0.0043103 k( 117) = ( 0.2692308 0.1554405 0.5965145), wk = 0.0043103 k( 118) = ( 0.2884615 0.1665433 0.5965145), wk = 0.0043103 k( 119) = ( 0.3076923 0.1776462 0.5965145), wk = 0.0043103 k( 120) = ( 0.3269231 0.1887491 0.5965145), wk = 0.0043103 k( 121) = ( 0.3461538 0.1998520 0.5965145), wk = 0.0043103 k( 122) = ( 0.3653846 0.2109549 0.5965145), wk = 0.0043103 k( 123) = ( 0.3846154 0.2220578 0.5965145), wk = 0.0043103 k( 124) = ( 0.4038462 0.2331607 0.5965145), wk = 0.0043103 k( 125) = ( 0.4230769 0.2442636 0.5965145), wk = 0.0043103 k( 126) = ( 0.4423077 0.2553665 0.5965145), wk = 0.0043103 k( 127) = ( 0.4615385 0.2664694 0.5965145), wk = 0.0043103 k( 128) = ( 0.4807692 0.2775722 0.5965145), wk = 0.0043103 k( 129) = ( 0.5000000 0.2886751 0.5965145), wk = 0.0043103 k( 130) = ( 0.5000000 0.2886751 0.5965145), wk = 0.0043103 k( 131) = ( 0.4888889 0.3079201 0.5965145), wk = 0.0043103 k( 132) = ( 0.4777778 0.3271651 0.5965145), wk = 0.0043103 k( 133) = ( 0.4666667 0.3464102 0.5965145), wk = 0.0043103 k( 134) = ( 0.4555556 0.3656552 0.5965145), wk = 0.0043103 k( 135) = ( 0.4444444 0.3849002 0.5965145), wk = 0.0043103 k( 136) = ( 0.4333333 0.4041452 0.5965145), wk = 0.0043103 k( 137) = ( 0.4222222 0.4233902 0.5965145), wk = 0.0043103 k( 138) = ( 0.4111111 0.4426352 0.5965145), wk = 0.0043103 k( 139) = ( 0.4000000 0.4618802 0.5965145), wk = 0.0043103 k( 140) = ( 0.3888889 0.4811252 0.5965145), wk = 0.0043103 k( 141) = ( 0.3777778 0.5003702 0.5965145), wk = 0.0043103 k( 142) = ( 0.3666667 0.5196152 0.5965145), wk = 0.0043103 k( 143) = ( 0.3555556 0.5388603 0.5965145), wk = 0.0043103 k( 144) = ( 0.3444444 0.5581053 0.5965145), wk = 0.0043103 k( 145) = ( 0.3333333 0.5773503 0.5965145), wk = 0.0043103 k( 146) = ( 0.3333333 0.5773503 0.5965145), wk = 0.0043103 k( 147) = ( 0.3222222 0.5581053 0.5965145), wk = 0.0043103 k( 148) = ( 0.3111111 0.5388602 0.5965145), wk = 0.0043103 k( 149) = ( 0.3000000 0.5196152 0.5965145), wk = 0.0043103 k( 150) = ( 0.2888889 0.5003702 0.5965145), wk = 0.0043103 k( 151) = ( 0.2777778 0.4811252 0.5965145), wk = 0.0043103 k( 152) = ( 0.2666667 0.4618802 0.5965145), wk = 0.0043103 k( 153) = ( 0.2555556 0.4426352 0.5965145), wk = 0.0043103 k( 154) = ( 0.2444444 0.4233902 0.5965145), wk = 0.0043103 k( 155) = ( 0.2333333 0.4041452 0.5965145), wk = 0.0043103 k( 156) = ( 0.2222222 0.3849002 0.5965145), wk = 0.0043103 k( 157) = ( 0.2111111 0.3656552 0.5965145), wk = 0.0043103 k( 158) = ( 0.2000000 0.3464102 0.5965145), wk = 0.0043103 k( 159) = ( 0.1888889 0.3271652 0.5965145), wk = 0.0043103 k( 160) = ( 0.1777778 0.3079201 0.5965145), wk = 0.0043103 k( 161) = ( 0.1666667 0.2886751 0.5965145), wk = 0.0043103 k( 162) = ( 0.1555556 0.2694301 0.5965145), wk = 0.0043103 k( 163) = ( 0.1444444 0.2501851 0.5965145), wk = 0.0043103 k( 164) = ( 0.1333333 0.2309401 0.5965145), wk = 0.0043103 k( 165) = ( 0.1222222 0.2116951 0.5965145), wk = 0.0043103 k( 166) = ( 0.1111111 0.1924501 0.5965145), wk = 0.0043103 k( 167) = ( 0.1000000 0.1732051 0.5965145), wk = 0.0043103 k( 168) = ( 0.0888889 0.1539601 0.5965145), wk = 0.0043103 k( 169) = ( 0.0777778 0.1347151 0.5965145), wk = 0.0043103 k( 170) = ( 0.0666667 0.1154701 0.5965145), wk = 0.0043103 k( 171) = ( 0.0555556 0.0962251 0.5965145), wk = 0.0043103 k( 172) = ( 0.0444444 0.0769800 0.5965145), wk = 0.0043103 k( 173) = ( 0.0333333 0.0577350 0.5965145), wk = 0.0043103 k( 174) = ( 0.0222222 0.0384900 0.5965145), wk = 0.0043103 k( 175) = ( 0.0111111 0.0192450 0.5965145), wk = 0.0043103 k( 176) = ( 0.0000000 0.0000000 0.5965145), wk = 0.0043103 k( 177) = ( 0.5000000 0.2886751 0.5965145), wk = 0.0043103 k( 178) = ( 0.5000000 0.2886751 0.5744214), wk = 0.0043103 k( 179) = ( 0.5000000 0.2886751 0.5523283), wk = 0.0043103 k( 180) = ( 0.5000000 0.2886751 0.5302351), wk = 0.0043103 k( 181) = ( 0.5000000 0.2886751 0.5081420), wk = 0.0043103 k( 182) = ( 0.5000000 0.2886751 0.4860489), wk = 0.0043103 k( 183) = ( 0.5000000 0.2886751 0.4639557), wk = 0.0043103 k( 184) = ( 0.5000000 0.2886751 0.4418626), wk = 0.0043103 k( 185) = ( 0.5000000 0.2886751 0.4197695), wk = 0.0043103 k( 186) = ( 0.5000000 0.2886751 0.3976763), wk = 0.0043103 k( 187) = ( 0.5000000 0.2886751 0.3755832), wk = 0.0043103 k( 188) = ( 0.5000000 0.2886751 0.3534901), wk = 0.0043103 k( 189) = ( 0.5000000 0.2886751 0.3313970), wk = 0.0043103 k( 190) = ( 0.5000000 0.2886751 0.3093038), wk = 0.0043103 k( 191) = ( 0.5000000 0.2886751 0.2872107), wk = 0.0043103 k( 192) = ( 0.5000000 0.2886751 0.2651176), wk = 0.0043103 k( 193) = ( 0.5000000 0.2886751 0.2430244), wk = 0.0043103 k( 194) = ( 0.5000000 0.2886751 0.2209313), wk = 0.0043103 k( 195) = ( 0.5000000 0.2886751 0.1988382), wk = 0.0043103 k( 196) = ( 0.5000000 0.2886751 0.1767450), wk = 0.0043103 k( 197) = ( 0.5000000 0.2886751 0.1546519), wk = 0.0043103 k( 198) = ( 0.5000000 0.2886751 0.1325588), wk = 0.0043103 k( 199) = ( 0.5000000 0.2886751 0.1104656), wk = 0.0043103 k( 200) = ( 0.5000000 0.2886751 0.0883725), wk = 0.0043103 k( 201) = ( 0.5000000 0.2886751 0.0662794), wk = 0.0043103 k( 202) = ( 0.5000000 0.2886751 0.0441863), wk = 0.0043103 k( 203) = ( 0.5000000 0.2886751 0.0220931), wk = 0.0043103 k( 204) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 205) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 206) = ( 0.3333333 0.5773503 0.0220931), wk = 0.0043103 k( 207) = ( 0.3333333 0.5773503 0.0441863), wk = 0.0043103 k( 208) = ( 0.3333333 0.5773503 0.0662794), wk = 0.0043103 k( 209) = ( 0.3333333 0.5773503 0.0883725), wk = 0.0043103 k( 210) = ( 0.3333333 0.5773503 0.1104656), wk = 0.0043103 k( 211) = ( 0.3333333 0.5773503 0.1325588), wk = 0.0043103 k( 212) = ( 0.3333333 0.5773503 0.1546519), wk = 0.0043103 k( 213) = ( 0.3333333 0.5773503 0.1767450), wk = 0.0043103 k( 214) = ( 0.3333333 0.5773503 0.1988382), wk = 0.0043103 k( 215) = ( 0.3333333 0.5773503 0.2209313), wk = 0.0043103 k( 216) = ( 0.3333333 0.5773503 0.2430244), wk = 0.0043103 k( 217) = ( 0.3333333 0.5773503 0.2651176), wk = 0.0043103 k( 218) = ( 0.3333333 0.5773503 0.2872107), wk = 0.0043103 k( 219) = ( 0.3333333 0.5773503 0.3093038), wk = 0.0043103 k( 220) = ( 0.3333333 0.5773503 0.3313970), wk = 0.0043103 k( 221) = ( 0.3333333 0.5773503 0.3534901), wk = 0.0043103 k( 222) = ( 0.3333333 0.5773503 0.3755832), wk = 0.0043103 k( 223) = ( 0.3333333 0.5773503 0.3976763), wk = 0.0043103 k( 224) = ( 0.3333333 0.5773503 0.4197695), wk = 0.0043103 k( 225) = ( 0.3333333 0.5773503 0.4418626), wk = 0.0043103 k( 226) = ( 0.3333333 0.5773503 0.4639557), wk = 0.0043103 k( 227) = ( 0.3333333 0.5773503 0.4860489), wk = 0.0043103 k( 228) = ( 0.3333333 0.5773503 0.5081420), wk = 0.0043103 k( 229) = ( 0.3333333 0.5773503 0.5302351), wk = 0.0043103 k( 230) = ( 0.3333333 0.5773503 0.5523283), wk = 0.0043103 k( 231) = ( 0.3333333 0.5773503 0.5744214), wk = 0.0043103 k( 232) = ( 0.3333333 0.5773503 0.5965145), wk = 0.0043103 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0043103 k( 3) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0043103 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0043103 k( 5) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0043103 k( 6) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0043103 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0043103 k( 8) = ( 0.1346154 -0.0000000 0.0000000), wk = 0.0043103 k( 9) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0043103 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0043103 k( 11) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0043103 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0043103 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0043103 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0043103 k( 15) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0043103 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0043103 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0043103 k( 18) = ( 0.3269231 -0.0000000 0.0000000), wk = 0.0043103 k( 19) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0043103 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0043103 k( 21) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0043103 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0043103 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0043103 k( 24) = ( 0.4423077 0.0000000 -0.0000000), wk = 0.0043103 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0043103 k( 26) = ( 0.4807692 0.0000000 -0.0000000), wk = 0.0043103 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0043103 k( 30) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0043103 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0043103 k( 32) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0043103 k( 33) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0043103 k( 34) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0043103 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0043103 k( 36) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0043103 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0043103 k( 38) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0043103 k( 39) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0043103 k( 40) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0043103 k( 41) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0043103 k( 42) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0043103 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 44) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 45) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0043103 k( 46) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0043103 k( 47) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0043103 k( 48) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0043103 k( 49) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0043103 k( 50) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0043103 k( 51) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0043103 k( 52) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0043103 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0043103 k( 54) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0043103 k( 55) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0043103 k( 56) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0043103 k( 57) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0043103 k( 58) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0043103 k( 59) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043103 k( 60) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0043103 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0043103 k( 62) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0043103 k( 63) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0043103 k( 64) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0043103 k( 65) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0043103 k( 66) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0043103 k( 67) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0043103 k( 68) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0043103 k( 69) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0043103 k( 70) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0043103 k( 71) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0043103 k( 72) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0043103 k( 73) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0043103 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 76) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0043103 k( 77) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0043103 k( 78) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0043103 k( 79) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0043103 k( 80) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0043103 k( 81) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0043103 k( 82) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0043103 k( 83) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0043103 k( 84) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043103 k( 85) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0043103 k( 86) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0043103 k( 87) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0043103 k( 88) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0043103 k( 89) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0043103 k( 90) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0043103 k( 91) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0043103 k( 92) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0043103 k( 93) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043103 k( 94) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0043103 k( 95) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0043103 k( 96) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0043103 k( 97) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0043103 k( 98) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0043103 k( 99) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0043103 k( 100) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0043103 k( 101) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 104) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0043103 k( 105) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0043103 k( 106) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0043103 k( 107) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0043103 k( 108) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0043103 k( 109) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0043103 k( 110) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0043103 k( 111) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0043103 k( 112) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0043103 k( 113) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0043103 k( 114) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0043103 k( 115) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0043103 k( 116) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0043103 k( 117) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0043103 k( 118) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0043103 k( 119) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0043103 k( 120) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0043103 k( 121) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0043103 k( 122) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0043103 k( 123) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0043103 k( 124) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0043103 k( 125) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0043103 k( 126) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0043103 k( 127) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0043103 k( 128) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0043103 k( 129) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 130) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 131) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0043103 k( 132) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0043103 k( 133) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0043103 k( 134) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0043103 k( 135) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0043103 k( 136) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0043103 k( 137) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0043103 k( 138) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0043103 k( 139) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0043103 k( 140) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0043103 k( 141) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0043103 k( 142) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0043103 k( 143) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0043103 k( 144) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0043103 k( 145) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 k( 146) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 k( 147) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0043103 k( 148) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0043103 k( 149) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0043103 k( 150) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0043103 k( 151) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0043103 k( 152) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0043103 k( 153) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0043103 k( 154) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0043103 k( 155) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0043103 k( 156) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0043103 k( 157) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0043103 k( 158) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0043103 k( 159) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0043103 k( 160) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0043103 k( 161) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0043103 k( 162) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0043103 k( 163) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0043103 k( 164) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0043103 k( 165) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0043103 k( 166) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0043103 k( 167) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0043103 k( 168) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0043103 k( 169) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0043103 k( 170) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0043103 k( 171) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0043103 k( 172) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0043103 k( 173) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0043103 k( 174) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0043103 k( 175) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0043103 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 178) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0043103 k( 179) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0043103 k( 180) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0043103 k( 181) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0043103 k( 182) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0043103 k( 183) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0043103 k( 184) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0043103 k( 185) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0043103 k( 186) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0043103 k( 187) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0043103 k( 188) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0043103 k( 189) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0043103 k( 190) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0043103 k( 191) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0043103 k( 192) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0043103 k( 193) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0043103 k( 194) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0043103 k( 195) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0043103 k( 196) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0043103 k( 197) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0043103 k( 198) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0043103 k( 199) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0043103 k( 200) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0043103 k( 201) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0043103 k( 202) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0043103 k( 203) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0043103 k( 204) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043103 k( 205) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 206) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0043103 k( 207) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0043103 k( 208) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0043103 k( 209) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0043103 k( 210) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0043103 k( 211) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0043103 k( 212) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0043103 k( 213) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0043103 k( 214) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0043103 k( 215) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0043103 k( 216) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0043103 k( 217) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0043103 k( 218) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0043103 k( 219) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0043103 k( 220) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0043103 k( 221) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0043103 k( 222) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0043103 k( 223) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043103 k( 224) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0043103 k( 225) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0043103 k( 226) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0043103 k( 227) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0043103 k( 228) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0043103 k( 229) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0043103 k( 230) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0043103 k( 231) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0043103 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 Dense grid: 86913 G-vectors FFT dimensions: ( 64, 64, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 304, 76) NL pseudopotentials 0.43 Mb ( 152, 186) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1207) G-vector shells 0.00 Mb ( 604) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.41 Mb ( 304, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.43 Mb ( 186, 2, 76) The potential is recalculated from file : ./BaZrSe3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 6.0 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.1 secs Computing kpt #: 3 total cpu time spent up to now is 14.1 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.2 secs Computing kpt #: 5 total cpu time spent up to now is 22.1 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.3 secs Computing kpt #: 7 total cpu time spent up to now is 30.1 secs Computing kpt #: 8 total cpu time spent up to now is 34.0 secs Computing kpt #: 9 total cpu time spent up to now is 37.9 secs Computing kpt #: 10 total cpu time spent up to now is 41.2 secs Computing kpt #: 11 total cpu time spent up to now is 44.6 secs Computing kpt #: 12 total cpu time spent up to now is 48.0 secs Computing kpt #: 13 total cpu time spent up to now is 51.3 secs Computing kpt #: 14 total cpu time spent up to now is 54.7 secs Computing kpt #: 15 total cpu time spent up to now is 57.7 secs Computing kpt #: 16 total cpu time spent up to now is 60.5 secs Computing kpt #: 17 total cpu time spent up to now is 63.4 secs Computing kpt #: 18 total cpu time spent up to now is 66.7 secs Computing kpt #: 19 total cpu time spent up to now is 70.4 secs Computing kpt #: 20 total cpu time spent up to now is 74.5 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.6 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.8 secs Computing kpt #: 24 total cpu time spent up to now is 90.7 secs Computing kpt #: 25 total cpu time spent up to now is 94.1 secs Computing kpt #: 26 total cpu time spent up to now is 97.0 secs Computing kpt #: 27 total cpu time spent up to now is 99.8 secs Computing kpt #: 28 total cpu time spent up to now is 102.7 secs Computing kpt #: 29 total cpu time spent up to now is 105.4 secs Computing kpt #: 30 total cpu time spent up to now is 107.6 secs Computing kpt #: 31 total cpu time spent up to now is 109.8 secs Computing kpt #: 32 total cpu time spent up to now is 111.7 secs Computing kpt #: 33 total cpu time spent up to now is 113.6 secs Computing kpt #: 34 total cpu time spent up to now is 115.5 secs Computing kpt #: 35 total cpu time spent up to now is 117.4 secs Computing kpt #: 36 total cpu time spent up to now is 119.2 secs Computing kpt #: 37 total cpu time spent up to now is 121.2 secs Computing kpt #: 38 total cpu time spent up to now is 123.2 secs Computing kpt #: 39 total cpu time spent up to now is 125.3 secs Computing kpt #: 40 total cpu time spent up to now is 127.2 secs Computing kpt #: 41 total cpu time spent up to now is 129.0 secs Computing kpt #: 42 total cpu time spent up to now is 131.0 secs Computing kpt #: 43 total cpu time spent up to now is 132.7 secs Computing kpt #: 44 total cpu time spent up to now is 134.5 secs Computing kpt #: 45 total cpu time spent up to now is 136.3 secs Computing kpt #: 46 total cpu time spent up to now is 138.0 secs Computing kpt #: 47 total cpu time spent up to now is 139.8 secs Computing kpt #: 48 total cpu time spent up to now is 141.7 secs Computing kpt #: 49 total cpu time spent up to now is 143.6 secs Computing kpt #: 50 total cpu time spent up to now is 145.5 secs Computing kpt #: 51 total cpu time spent up to now is 147.5 secs Computing kpt #: 52 total cpu time spent up to now is 149.4 secs Computing kpt #: 53 total cpu time spent up to now is 151.6 secs Computing kpt #: 54 total cpu time spent up to now is 153.7 secs Computing kpt #: 55 total cpu time spent up to now is 155.8 secs Computing kpt #: 56 total cpu time spent up to now is 158.1 secs Computing kpt #: 57 total cpu time spent up to now is 161.1 secs Computing kpt #: 58 total cpu time spent up to now is 163.5 secs Computing kpt #: 59 total cpu time spent up to now is 165.8 secs Computing kpt #: 60 total cpu time spent up to now is 168.1 secs Computing kpt #: 61 total cpu time spent up to now is 170.4 secs Computing kpt #: 62 total cpu time spent up to now is 173.1 secs Computing kpt #: 63 total cpu time spent up to now is 176.0 secs Computing kpt #: 64 total cpu time spent up to now is 179.2 secs Computing kpt #: 65 total cpu time spent up to now is 182.5 secs Computing kpt #: 66 total cpu time spent up to now is 185.7 secs Computing kpt #: 67 total cpu time spent up to now is 189.6 secs Computing kpt #: 68 total cpu time spent up to now is 193.4 secs Computing kpt #: 69 total cpu time spent up to now is 197.2 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.2 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.3 secs Computing kpt #: 72 total cpu time spent up to now is 208.5 secs Computing kpt #: 73 total cpu time spent up to now is 212.5 secs Computing kpt #: 74 total cpu time spent up to now is 214.9 secs Computing kpt #: 75 total cpu time spent up to now is 217.4 secs Computing kpt #: 76 total cpu time spent up to now is 221.3 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.3 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.4 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.4 secs Computing kpt #: 80 total cpu time spent up to now is 237.1 secs Computing kpt #: 81 total cpu time spent up to now is 240.9 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.0 secs Computing kpt #: 83 total cpu time spent up to now is 247.5 secs Computing kpt #: 84 total cpu time spent up to now is 249.8 secs Computing kpt #: 85 total cpu time spent up to now is 252.2 secs Computing kpt #: 86 total cpu time spent up to now is 255.0 secs Computing kpt #: 87 total cpu time spent up to now is 257.2 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.3 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.3 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.4 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.4 secs Computing kpt #: 92 total cpu time spent up to now is 275.0 secs Computing kpt #: 93 total cpu time spent up to now is 276.6 secs Computing kpt #: 94 total cpu time spent up to now is 278.4 secs Computing kpt #: 95 total cpu time spent up to now is 280.0 secs Computing kpt #: 96 total cpu time spent up to now is 281.7 secs Computing kpt #: 97 total cpu time spent up to now is 283.0 secs Computing kpt #: 98 total cpu time spent up to now is 284.5 secs Computing kpt #: 99 total cpu time spent up to now is 285.9 secs Computing kpt #: 100 total cpu time spent up to now is 287.3 secs Computing kpt #: 101 total cpu time spent up to now is 288.8 secs Computing kpt #: 102 total cpu time spent up to now is 290.5 secs Computing kpt #: 103 total cpu time spent up to now is 291.9 secs Computing kpt #: 104 total cpu time spent up to now is 293.3 secs Computing kpt #: 105 total cpu time spent up to now is 294.8 secs Computing kpt #: 106 total cpu time spent up to now is 296.2 secs Computing kpt #: 107 total cpu time spent up to now is 297.7 secs Computing kpt #: 108 total cpu time spent up to now is 299.1 secs Computing kpt #: 109 total cpu time spent up to now is 300.5 secs Computing kpt #: 110 total cpu time spent up to now is 301.9 secs Computing kpt #: 111 total cpu time spent up to now is 303.3 secs Computing kpt #: 112 total cpu time spent up to now is 304.7 secs Computing kpt #: 113 total cpu time spent up to now is 306.2 secs Computing kpt #: 114 total cpu time spent up to now is 307.6 secs Computing kpt #: 115 total cpu time spent up to now is 309.1 secs Computing kpt #: 116 total cpu time spent up to now is 310.5 secs Computing kpt #: 117 total cpu time spent up to now is 312.0 secs Computing kpt #: 118 total cpu time spent up to now is 313.4 secs Computing kpt #: 119 total cpu time spent up to now is 314.8 secs Computing kpt #: 120 total cpu time spent up to now is 316.5 secs Computing kpt #: 121 total cpu time spent up to now is 318.2 secs Computing kpt #: 122 total cpu time spent up to now is 319.8 secs Computing kpt #: 123 total cpu time spent up to now is 321.4 secs Computing kpt #: 124 total cpu time spent up to now is 323.2 secs Computing kpt #: 125 total cpu time spent up to now is 324.9 secs Computing kpt #: 126 total cpu time spent up to now is 326.6 secs Computing kpt #: 127 total cpu time spent up to now is 328.4 secs Computing kpt #: 128 total cpu time spent up to now is 330.2 secs Computing kpt #: 129 total cpu time spent up to now is 332.0 secs Computing kpt #: 130 total cpu time spent up to now is 333.7 secs Computing kpt #: 131 total cpu time spent up to now is 335.5 secs Computing kpt #: 132 total cpu time spent up to now is 337.4 secs Computing kpt #: 133 total cpu time spent up to now is 339.1 secs Computing kpt #: 134 total cpu time spent up to now is 340.8 secs Computing kpt #: 135 total cpu time spent up to now is 342.6 secs Computing kpt #: 136 total cpu time spent up to now is 344.3 secs Computing kpt #: 137 total cpu time spent up to now is 346.0 secs Computing kpt #: 138 total cpu time spent up to now is 347.6 secs Computing kpt #: 139 total cpu time spent up to now is 349.3 secs Computing kpt #: 140 total cpu time spent up to now is 351.0 secs Computing kpt #: 141 total cpu time spent up to now is 352.6 secs Computing kpt #: 142 total cpu time spent up to now is 354.0 secs Computing kpt #: 143 total cpu time spent up to now is 355.4 secs Computing kpt #: 144 total cpu time spent up to now is 356.8 secs Computing kpt #: 145 total cpu time spent up to now is 358.3 secs Computing kpt #: 146 total cpu time spent up to now is 359.7 secs Computing kpt #: 147 total cpu time spent up to now is 361.1 secs Computing kpt #: 148 total cpu time spent up to now is 362.5 secs Computing kpt #: 149 total cpu time spent up to now is 364.1 secs Computing kpt #: 150 total cpu time spent up to now is 365.8 secs Computing kpt #: 151 total cpu time spent up to now is 367.2 secs Computing kpt #: 152 total cpu time spent up to now is 368.8 secs Computing kpt #: 153 total cpu time spent up to now is 370.5 secs Computing kpt #: 154 total cpu time spent up to now is 372.1 secs Computing kpt #: 155 total cpu time spent up to now is 373.8 secs Computing kpt #: 156 total cpu time spent up to now is 375.5 secs Computing kpt #: 157 total cpu time spent up to now is 376.9 secs Computing kpt #: 158 total cpu time spent up to now is 378.4 secs Computing kpt #: 159 total cpu time spent up to now is 379.9 secs Computing kpt #: 160 total cpu time spent up to now is 381.3 secs Computing kpt #: 161 total cpu time spent up to now is 382.7 secs Computing kpt #: 162 total cpu time spent up to now is 384.1 secs Computing kpt #: 163 total cpu time spent up to now is 385.5 secs Computing kpt #: 164 total cpu time spent up to now is 386.9 secs Computing kpt #: 165 total cpu time spent up to now is 388.3 secs Computing kpt #: 166 total cpu time spent up to now is 389.7 secs Computing kpt #: 167 total cpu time spent up to now is 394.7 secs Computing kpt #: 168 total cpu time spent up to now is 396.1 secs Computing kpt #: 169 total cpu time spent up to now is 397.5 secs Computing kpt #: 170 total cpu time spent up to now is 398.9 secs Computing kpt #: 171 total cpu time spent up to now is 400.3 secs Computing kpt #: 172 total cpu time spent up to now is 401.7 secs Computing kpt #: 173 total cpu time spent up to now is 403.1 secs Computing kpt #: 174 total cpu time spent up to now is 404.5 secs Computing kpt #: 175 total cpu time spent up to now is 405.9 secs Computing kpt #: 176 total cpu time spent up to now is 407.3 secs Computing kpt #: 177 total cpu time spent up to now is 409.1 secs Computing kpt #: 178 total cpu time spent up to now is 410.9 secs Computing kpt #: 179 total cpu time spent up to now is 412.8 secs Computing kpt #: 180 total cpu time spent up to now is 415.0 secs Computing kpt #: 181 total cpu time spent up to now is 417.2 secs Computing kpt #: 182 total cpu time spent up to now is 419.5 secs Computing kpt #: 183 total cpu time spent up to now is 421.8 secs Computing kpt #: 184 total cpu time spent up to now is 424.2 secs Computing kpt #: 185 total cpu time spent up to now is 426.5 secs Computing kpt #: 186 total cpu time spent up to now is 428.7 secs Computing kpt #: 187 total cpu time spent up to now is 430.9 secs Computing kpt #: 188 total cpu time spent up to now is 433.1 secs Computing kpt #: 189 total cpu time spent up to now is 435.0 secs Computing kpt #: 190 total cpu time spent up to now is 436.9 secs Computing kpt #: 191 total cpu time spent up to now is 438.8 secs Computing kpt #: 192 total cpu time spent up to now is 440.6 secs Computing kpt #: 193 total cpu time spent up to now is 442.6 secs Computing kpt #: 194 total cpu time spent up to now is 444.5 secs Computing kpt #: 195 total cpu time spent up to now is 446.4 secs Computing kpt #: 196 total cpu time spent up to now is 448.6 secs Computing kpt #: 197 total cpu time spent up to now is 450.8 secs Computing kpt #: 198 total cpu time spent up to now is 453.2 secs Computing kpt #: 199 total cpu time spent up to now is 455.6 secs Computing kpt #: 200 total cpu time spent up to now is 458.2 secs Computing kpt #: 201 total cpu time spent up to now is 461.0 secs Computing kpt #: 202 total cpu time spent up to now is 464.0 secs Computing kpt #: 203 total cpu time spent up to now is 466.7 secs Computing kpt #: 204 total cpu time spent up to now is 469.5 secs Computing kpt #: 205 total cpu time spent up to now is 471.3 secs Computing kpt #: 206 total cpu time spent up to now is 473.1 secs Computing kpt #: 207 total cpu time spent up to now is 474.9 secs Computing kpt #: 208 total cpu time spent up to now is 476.7 secs Computing kpt #: 209 total cpu time spent up to now is 478.6 secs Computing kpt #: 210 total cpu time spent up to now is 480.5 secs Computing kpt #: 211 total cpu time spent up to now is 482.6 secs Computing kpt #: 212 total cpu time spent up to now is 485.0 secs Computing kpt #: 213 total cpu time spent up to now is 487.3 secs Computing kpt #: 214 total cpu time spent up to now is 489.6 secs Computing kpt #: 215 total cpu time spent up to now is 492.1 secs Computing kpt #: 216 total cpu time spent up to now is 494.8 secs Computing kpt #: 217 total cpu time spent up to now is 497.0 secs Computing kpt #: 218 total cpu time spent up to now is 499.3 secs Computing kpt #: 219 total cpu time spent up to now is 501.6 secs Computing kpt #: 220 total cpu time spent up to now is 503.9 secs Computing kpt #: 221 total cpu time spent up to now is 506.2 secs Computing kpt #: 222 total cpu time spent up to now is 508.4 secs Computing kpt #: 223 total cpu time spent up to now is 510.6 secs Computing kpt #: 224 total cpu time spent up to now is 512.5 secs Computing kpt #: 225 total cpu time spent up to now is 514.3 secs Computing kpt #: 226 total cpu time spent up to now is 515.9 secs Computing kpt #: 227 total cpu time spent up to now is 517.3 secs Computing kpt #: 228 total cpu time spent up to now is 518.7 secs Computing kpt #: 229 total cpu time spent up to now is 520.0 secs Computing kpt #: 230 total cpu time spent up to now is 521.4 secs Computing kpt #: 231 total cpu time spent up to now is 522.8 secs Computing kpt #: 232 total cpu time spent up to now is 524.2 secs ethr = 1.56E-08, avg # of iterations = 47.6 total cpu time spent up to now is 524.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10861 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1467 -7.1467 -5.9414 -5.9414 -5.2840 -5.2840 -5.2255 -5.2255 -5.2203 -5.2203 -5.1492 -5.1492 -4.7637 -4.7637 -4.7402 -4.7402 -4.6780 -4.6780 -4.6482 -4.6482 -4.5500 -4.5500 2.2491 2.2491 2.9562 2.9562 3.2717 3.2717 3.3400 3.3400 3.9034 3.9034 4.5437 4.5437 4.5490 4.5490 4.7000 4.7000 4.7338 4.7338 4.9917 4.9917 4.9967 4.9967 5.2741 5.2741 5.4466 5.4466 6.2044 6.2044 6.6677 6.6677 6.8346 6.8346 7.3073 7.3073 7.4330 7.4330 7.4742 7.4742 8.5704 8.5704 8.6021 8.6021 9.3661 9.3661 9.4111 9.4111 10.2946 10.2946 k = 0.0192 0.0111-0.0000 ( 10869 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1469 -7.1469 -5.9414 -5.9414 -5.2855 -5.2855 -5.2322 -5.2322 -5.2131 -5.2131 -5.1482 -5.1482 -4.7664 -4.7664 -4.7377 -4.7377 -4.6829 -4.6829 -4.6428 -4.6428 -4.5497 -4.5497 2.2514 2.2514 2.9561 2.9561 3.2705 3.2705 3.3391 3.3391 3.9056 3.9056 4.5436 4.5436 4.5489 4.5489 4.6996 4.6996 4.7336 4.7336 4.9894 4.9894 4.9954 4.9954 5.2754 5.2754 5.4471 5.4471 6.1986 6.1986 6.6619 6.6619 6.8371 6.8371 7.3058 7.3058 7.4264 7.4264 7.4742 7.4742 8.5755 8.5755 8.6082 8.6082 9.3675 9.3675 9.4124 9.4124 10.2953 10.2953 k = 0.0385 0.0222-0.0000 ( 10865 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1912 -7.1912 -7.1475 -7.1475 -5.9414 -5.9414 -5.2898 -5.2898 -5.2403 -5.2403 -5.2034 -5.2034 -5.1453 -5.1453 -4.7726 -4.7726 -4.7321 -4.7321 -4.6923 -4.6923 -4.6319 -4.6319 -4.5487 -4.5487 2.2581 2.2581 2.9558 2.9558 3.2662 3.2662 3.3368 3.3368 3.9121 3.9121 4.5434 4.5434 4.5488 4.5488 4.6981 4.6981 4.7332 4.7332 4.9809 4.9809 4.9931 4.9931 5.2794 5.2794 5.4486 5.4486 6.1816 6.1816 6.6453 6.6453 6.8440 6.8440 7.3013 7.3013 7.4090 7.4090 7.4720 7.4720 8.5872 8.5872 8.6296 8.6296 9.3715 9.3715 9.4163 9.4163 10.2974 10.2974 k = 0.0577 0.0333-0.0000 ( 10871 PWs) bands (ev): -20.5565 -20.5565 -20.5490 -20.5490 -7.1915 -7.1915 -7.1485 -7.1485 -5.9413 -5.9413 -5.2966 -5.2966 -5.2480 -5.2480 -5.1931 -5.1931 -5.1409 -5.1409 -4.7805 -4.7805 -4.7274 -4.7274 -4.6998 -4.6998 -4.6196 -4.6196 -4.5469 -4.5469 2.2692 2.2692 2.9553 2.9553 3.2578 3.2578 3.3352 3.3352 3.9221 3.9221 4.5429 4.5429 4.5486 4.5486 4.6955 4.6955 4.7324 4.7324 4.9665 4.9665 4.9904 4.9904 5.2856 5.2856 5.4510 5.4510 6.1538 6.1538 6.6191 6.6191 6.8536 6.8536 7.2945 7.2945 7.3843 7.3843 7.4655 7.4655 8.6011 8.6011 8.6690 8.6690 9.3780 9.3780 9.4228 9.4228 10.3008 10.3009 k = 0.0769 0.0444-0.0000 ( 10869 PWs) bands (ev): -20.5565 -20.5565 -20.5491 -20.5491 -7.1918 -7.1918 -7.1499 -7.1499 -5.9413 -5.9413 -5.3053 -5.3053 -5.2552 -5.2552 -5.1824 -5.1824 -5.1352 -5.1352 -4.7898 -4.7898 -4.7288 -4.7288 -4.6997 -4.6997 -4.6075 -4.6075 -4.5443 -4.5443 2.2846 2.2846 2.9546 2.9546 3.2445 3.2445 3.3358 3.3358 3.9347 3.9347 4.5422 4.5422 4.5484 4.5484 4.6917 4.6917 4.7313 4.7313 4.9475 4.9475 4.9872 4.9872 5.2937 5.2937 5.4541 5.4541 6.1164 6.1164 6.5845 6.5845 6.8645 6.8645 7.2862 7.2862 7.3545 7.3545 7.4540 7.4540 8.6171 8.6171 8.7244 8.7244 9.3868 9.3868 9.4319 9.4319 10.3057 10.3057 k = 0.0962 0.0555-0.0000 ( 10843 PWs) bands (ev): -20.5564 -20.5564 -20.5491 -20.5491 -7.1921 -7.1921 -7.1516 -7.1516 -5.9413 -5.9413 -5.3154 -5.3154 -5.2618 -5.2618 -5.1715 -5.1715 -5.1285 -5.1285 -4.8003 -4.8003 -4.7358 -4.7358 -4.6921 -4.6921 -4.5962 -4.5962 -4.5405 -4.5405 2.3040 2.3040 2.9537 2.9537 3.2266 3.2266 3.3393 3.3393 3.9490 3.9490 4.5412 4.5412 4.5481 4.5481 4.6865 4.6865 4.7299 4.7299 4.9250 4.9250 4.9833 4.9833 5.3034 5.3034 5.4577 5.4577 6.0707 6.0707 6.5420 6.5420 6.8758 6.8758 7.2769 7.2769 7.3213 7.3213 7.4382 7.4382 8.6358 8.6358 8.7925 8.7925 9.3977 9.3977 9.4435 9.4435 10.3120 10.3120 k = 0.1154 0.0666-0.0000 ( 10843 PWs) bands (ev): -20.5564 -20.5564 -20.5492 -20.5492 -7.1926 -7.1926 -7.1536 -7.1536 -5.9412 -5.9412 -5.3266 -5.3266 -5.2679 -5.2679 -5.1608 -5.1608 -5.1207 -5.1207 -4.8123 -4.8123 -4.7438 -4.7438 -4.6814 -4.6814 -4.5863 -4.5863 -4.5351 -4.5351 2.3273 2.3273 2.9526 2.9526 3.2056 3.2056 3.3455 3.3455 3.9639 3.9639 4.5400 4.5400 4.5477 4.5477 4.6796 4.6796 4.7281 4.7281 4.9005 4.9005 4.9791 4.9791 5.3142 5.3142 5.4616 5.4616 6.0182 6.0182 6.4918 6.4918 6.8867 6.8867 7.2664 7.2664 7.2871 7.2871 7.4187 7.4187 8.6572 8.6572 8.8705 8.8705 9.4103 9.4103 9.4573 9.4573 10.3197 10.3197 k = 0.1346 0.0777-0.0000 ( 10855 PWs) bands (ev): -20.5563 -20.5563 -20.5493 -20.5493 -7.1931 -7.1931 -7.1560 -7.1560 -5.9412 -5.9412 -5.3384 -5.3384 -5.2735 -5.2735 -5.1506 -5.1506 -5.1117 -5.1117 -4.8255 -4.8255 -4.7513 -4.7513 -4.6694 -4.6694 -4.5785 -4.5785 -4.5278 -4.5278 2.3541 2.3541 2.9513 2.9513 3.1827 3.1827 3.3541 3.3541 3.9784 3.9784 4.5386 4.5386 4.5471 4.5471 4.6706 4.6706 4.7261 4.7261 4.8751 4.8751 4.9745 4.9745 5.3261 5.3261 5.4655 5.4655 5.9604 5.9604 6.4343 6.4343 6.8968 6.8968 7.2439 7.2439 7.2641 7.2641 7.3966 7.3966 8.6810 8.6810 8.9562 8.9562 9.4243 9.4243 9.4732 9.4732 10.3288 10.3288 k = 0.1538 0.0888-0.0000 ( 10855 PWs) bands (ev): -20.5562 -20.5562 -20.5494 -20.5494 -7.1936 -7.1936 -7.1586 -7.1586 -5.9411 -5.9411 -5.3506 -5.3506 -5.2786 -5.2786 -5.1415 -5.1415 -5.1012 -5.1012 -4.8398 -4.8398 -4.7578 -4.7578 -4.6571 -4.6571 -4.5725 -4.5725 -4.5185 -4.5185 2.3839 2.3839 2.9499 2.9499 3.1593 3.1593 3.3648 3.3648 3.9920 3.9920 4.5371 4.5371 4.5459 4.5459 4.6593 4.6593 4.7237 4.7237 4.8504 4.8504 4.9698 4.9698 5.3388 5.3388 5.4688 5.4688 5.8993 5.8993 6.3699 6.3699 6.9058 6.9058 7.2076 7.2076 7.2551 7.2551 7.3731 7.3731 8.7071 8.7071 9.0474 9.0474 9.4397 9.4397 9.4908 9.4908 10.3392 10.3392 k = 0.1731 0.0999-0.0000 ( 10847 PWs) bands (ev): -20.5561 -20.5561 -20.5495 -20.5495 -7.1943 -7.1943 -7.1613 -7.1613 -5.9410 -5.9410 -5.3628 -5.3628 -5.2832 -5.2832 -5.1338 -5.1338 -5.0890 -5.0890 -4.8550 -4.8550 -4.7633 -4.7633 -4.6451 -4.6451 -4.5679 -4.5679 -4.5077 -4.5077 2.4162 2.4162 2.9483 2.9483 3.1367 3.1367 3.3772 3.3772 4.0038 4.0038 4.5353 4.5353 4.5437 4.5437 4.6457 4.6457 4.7211 4.7211 4.8273 4.8273 4.9652 4.9652 5.3523 5.3523 5.4708 5.4708 5.8369 5.8369 6.2992 6.2992 6.9131 6.9131 7.1697 7.1697 7.2488 7.2488 7.3492 7.3492 8.7350 8.7350 9.1422 9.1422 9.4560 9.4560 9.5096 9.5096 10.3512 10.3512 k = 0.1923 0.1110-0.0000 ( 10839 PWs) bands (ev): -20.5560 -20.5560 -20.5496 -20.5496 -7.1949 -7.1949 -7.1643 -7.1643 -5.9408 -5.9408 -5.3750 -5.3750 -5.2872 -5.2872 -5.1274 -5.1274 -5.0753 -5.0753 -4.8707 -4.8707 -4.7678 -4.7678 -4.6343 -4.6343 -4.5637 -4.5637 -4.4959 -4.4959 2.4501 2.4501 2.9466 2.9466 3.1160 3.1160 3.3912 3.3912 4.0136 4.0136 4.5331 4.5331 4.5399 4.5399 4.6303 4.6303 4.7181 4.7181 4.8070 4.8070 4.9607 4.9607 5.3662 5.3662 5.4701 5.4701 5.7757 5.7757 6.2230 6.2230 6.9184 6.9184 7.1319 7.1319 7.2441 7.2441 7.3258 7.3258 8.7644 8.7644 9.2388 9.2388 9.4733 9.4733 9.5292 9.5292 10.3646 10.3646 k = 0.2115 0.1221-0.0000 ( 10851 PWs) bands (ev): -20.5558 -20.5558 -20.5497 -20.5497 -7.1956 -7.1956 -7.1674 -7.1674 -5.9407 -5.9407 -5.3870 -5.3870 -5.2907 -5.2907 -5.1223 -5.1223 -5.0602 -5.0602 -4.8866 -4.8866 -4.7714 -4.7714 -4.6256 -4.6256 -4.5588 -4.5588 -4.4835 -4.4835 2.4847 2.4847 2.9448 2.9448 3.0987 3.0987 3.4067 3.4067 4.0211 4.0211 4.5280 4.5280 4.5353 4.5353 4.6151 4.6151 4.7148 4.7148 4.7898 4.7898 4.9564 4.9564 5.3805 5.3805 5.4642 5.4642 5.7193 5.7193 6.1424 6.1424 6.9207 6.9207 7.0950 7.0950 7.2407 7.2407 7.3040 7.3040 8.7951 8.7951 9.3354 9.3354 9.4913 9.4913 9.5491 9.5491 10.3798 10.3798 k = 0.2308 0.1332-0.0000 ( 10853 PWs) bands (ev): -20.5557 -20.5557 -20.5498 -20.5498 -7.1963 -7.1963 -7.1705 -7.1705 -5.9405 -5.9405 -5.3986 -5.3986 -5.2937 -5.2937 -5.1183 -5.1183 -5.0442 -5.0442 -4.9025 -4.9025 -4.7741 -4.7741 -4.6200 -4.6200 -4.5524 -4.5524 -4.4710 -4.4710 2.5186 2.5186 2.9430 2.9430 3.0860 3.0860 3.4235 3.4235 4.0260 4.0260 4.5153 4.5153 4.5327 4.5327 4.6025 4.6025 4.7113 4.7113 4.7755 4.7755 4.9523 4.9523 5.3941 5.3941 5.4497 5.4497 5.6725 5.6725 6.0586 6.0586 6.9190 6.9190 7.0601 7.0601 7.2385 7.2385 7.2843 7.2843 8.8267 8.8267 9.4297 9.4297 9.5102 9.5102 9.5695 9.5695 10.3970 10.3970 k = 0.2500 0.1443-0.0000 ( 10852 PWs) bands (ev): -20.5556 -20.5556 -20.5499 -20.5499 -7.1971 -7.1971 -7.1737 -7.1737 -5.9403 -5.9403 -5.4098 -5.4098 -5.2961 -5.2961 -5.1151 -5.1151 -5.0278 -5.0278 -4.9178 -4.9178 -4.7761 -4.7761 -4.6180 -4.6180 -4.5439 -4.5439 -4.4586 -4.4586 2.5504 2.5504 2.9412 2.9412 3.0795 3.0795 3.4414 3.4414 4.0284 4.0284 4.4955 4.4955 4.5311 4.5311 4.5940 4.5940 4.7076 4.7076 4.7637 4.7637 4.9487 4.9487 5.4000 5.4000 5.4299 5.4299 5.6396 5.6396 5.9732 5.9732 6.9117 6.9117 7.0292 7.0292 7.2373 7.2373 7.2674 7.2674 8.8588 8.8588 9.5120 9.5120 9.5358 9.5358 9.5921 9.5921 10.4163 10.4163 k = 0.2692 0.1554-0.0000 ( 10862 PWs) bands (ev): -20.5554 -20.5554 -20.5500 -20.5500 -7.1978 -7.1978 -7.1769 -7.1769 -5.9401 -5.9401 -5.4203 -5.4203 -5.2980 -5.2980 -5.1126 -5.1126 -5.0117 -5.0117 -4.9319 -4.9319 -4.7775 -4.7775 -4.6193 -4.6193 -4.5340 -4.5340 -4.4463 -4.4463 2.5782 2.5782 2.9394 2.9394 3.0811 3.0811 3.4602 3.4602 4.0285 4.0285 4.4703 4.4703 4.5298 4.5298 4.5892 4.5892 4.7036 4.7036 4.7540 4.7540 4.9454 4.9454 5.3694 5.3694 5.4333 5.4333 5.6202 5.6202 5.8881 5.8881 6.8970 6.8970 7.0042 7.0042 7.2366 7.2366 7.2536 7.2536 8.8910 8.8910 9.5423 9.5423 9.5869 9.5869 9.6363 9.6363 10.4380 10.4380 k = 0.2885 0.1665-0.0000 ( 10862 PWs) bands (ev): -20.5553 -20.5553 -20.5502 -20.5502 -7.1986 -7.1986 -7.1799 -7.1799 -5.9399 -5.9399 -5.4302 -5.4302 -5.2994 -5.2994 -5.1108 -5.1108 -4.9979 -4.9979 -4.9427 -4.9427 -4.7783 -4.7783 -4.6233 -4.6233 -4.5232 -4.5232 -4.4344 -4.4344 2.6006 2.6006 2.9375 2.9375 3.0919 3.0919 3.4797 3.4797 4.0264 4.0264 4.4420 4.4420 4.5287 4.5287 4.5869 4.5869 4.6994 4.6994 4.7459 4.7459 4.9423 4.9423 5.3201 5.3201 5.4465 5.4465 5.6084 5.6084 5.8066 5.8066 6.8747 6.8747 6.9857 6.9857 7.2357 7.2357 7.2437 7.2437 8.9231 8.9231 9.5610 9.5610 9.6109 9.6109 9.7127 9.7127 10.4624 10.4624 k = 0.3077 0.1776-0.0000 ( 10864 PWs) bands (ev): -20.5551 -20.5551 -20.5503 -20.5503 -7.1993 -7.1993 -7.1829 -7.1829 -5.9396 -5.9396 -5.4394 -5.4394 -5.3003 -5.3003 -5.1094 -5.1094 -4.9917 -4.9917 -4.9450 -4.9450 -4.7787 -4.7787 -4.6294 -4.6294 -4.5123 -4.5123 -4.4230 -4.4230 2.6167 2.6167 2.9357 2.9357 3.1126 3.1126 3.4998 3.4998 4.0225 4.0225 4.4120 4.4120 4.5278 4.5278 4.5860 4.5860 4.6951 4.6951 4.7390 4.7390 4.9396 4.9396 5.2660 5.2660 5.4597 5.4597 5.5947 5.5947 5.7356 5.7356 6.8471 6.8471 6.9721 6.9721 7.2323 7.2323 7.2398 7.2398 8.9545 8.9545 9.5783 9.5783 9.6267 9.6267 9.7906 9.7906 10.4897 10.4897 k = 0.3269 0.1887-0.0000 ( 10862 PWs) bands (ev): -20.5549 -20.5549 -20.5505 -20.5505 -7.2001 -7.2001 -7.1856 -7.1856 -5.9394 -5.9394 -5.4479 -5.4479 -5.3008 -5.3008 -5.1086 -5.1086 -4.9963 -4.9963 -4.9353 -4.9353 -4.7786 -4.7786 -4.6373 -4.6373 -4.5017 -4.5017 -4.4122 -4.4122 2.6266 2.6266 2.9338 2.9338 3.1427 3.1427 3.5200 3.5200 4.0172 4.0172 4.3813 4.3813 4.5270 4.5270 4.5860 4.5860 4.6907 4.6907 4.7333 4.7333 4.9370 4.9370 5.2114 5.2114 5.4686 5.4686 5.5662 5.5662 5.6892 5.6892 6.8173 6.8173 6.9610 6.9610 7.2279 7.2279 7.2396 7.2396 8.9849 8.9849 9.5944 9.5944 9.6397 9.6397 9.8635 9.8635 10.5200 10.5200 k = 0.3462 0.1999-0.0000 ( 10860 PWs) bands (ev): -20.5548 -20.5548 -20.5506 -20.5506 -7.2008 -7.2008 -7.1882 -7.1882 -5.9391 -5.9391 -5.4555 -5.4555 -5.3008 -5.3008 -5.1080 -5.1080 -5.0063 -5.0063 -4.9193 -4.9193 -4.7783 -4.7783 -4.6467 -4.6467 -4.4917 -4.4917 -4.4021 -4.4021 2.6311 2.6311 2.9320 2.9320 3.1807 3.1807 3.5402 3.5402 4.0109 4.0109 4.3504 4.3504 4.5262 4.5262 4.5865 4.5865 4.6862 4.6862 4.7285 4.7285 4.9344 4.9344 5.1590 5.1590 5.4585 5.4585 5.5324 5.5324 5.6720 5.6720 6.7875 6.7875 6.9512 6.9512 7.2253 7.2253 7.2400 7.2400 9.0138 9.0138 9.6093 9.6093 9.6506 9.6506 9.9297 9.9297 10.5536 10.5536 k = 0.3654 0.2110-0.0000 ( 10866 PWs) bands (ev): -20.5546 -20.5546 -20.5508 -20.5508 -7.2015 -7.2015 -7.1905 -7.1905 -5.9389 -5.9389 -5.4623 -5.4623 -5.3006 -5.3006 -5.1077 -5.1077 -5.0173 -5.0173 -4.9010 -4.9010 -4.7777 -4.7777 -4.6574 -4.6574 -4.4827 -4.4827 -4.3928 -4.3928 2.6318 2.6318 2.9302 2.9302 3.2244 3.2244 3.5598 3.5598 4.0040 4.0040 4.3196 4.3196 4.5254 4.5254 4.5872 4.5872 4.6817 4.6817 4.7247 4.7247 4.9314 4.9314 5.1105 5.1105 5.4103 5.4103 5.5269 5.5269 5.6693 5.6693 6.7592 6.7592 6.9420 6.9420 7.2244 7.2244 7.2406 7.2406 9.0407 9.0407 9.6228 9.6228 9.6596 9.6596 9.9886 9.9886 10.5902 10.5902 k = 0.3846 0.2221-0.0000 ( 10850 PWs) bands (ev): -20.5545 -20.5545 -20.5509 -20.5509 -7.2022 -7.2022 -7.1925 -7.1925 -5.9387 -5.9387 -5.4683 -5.4683 -5.3000 -5.3000 -5.1076 -5.1076 -5.0279 -5.0279 -4.8819 -4.8819 -4.7771 -4.7771 -4.6694 -4.6694 -4.4746 -4.4746 -4.3845 -4.3845 2.6299 2.6299 2.9286 2.9286 3.2713 3.2713 3.5785 3.5785 3.9971 3.9971 4.2893 4.2893 4.5246 4.5246 4.5882 4.5882 4.6773 4.6773 4.7218 4.7218 4.9275 4.9275 5.0675 5.0675 5.3491 5.3491 5.5345 5.5345 5.6719 5.6719 6.7332 6.7332 6.9336 6.9336 7.2248 7.2248 7.2410 7.2410 9.0652 9.0652 9.6347 9.6347 9.6671 9.6671 10.0398 10.0398 10.6298 10.6298 k = 0.4038 0.2332-0.0000 ( 10838 PWs) bands (ev): -20.5543 -20.5543 -20.5510 -20.5510 -7.2029 -7.2029 -7.1942 -7.1942 -5.9385 -5.9385 -5.4733 -5.4733 -5.2993 -5.2993 -5.1077 -5.1077 -5.0375 -5.0375 -4.8626 -4.8626 -4.7764 -4.7764 -4.6824 -4.6824 -4.4676 -4.4676 -4.3773 -4.3773 2.6266 2.6266 2.9271 2.9271 3.3186 3.3186 3.5958 3.5958 3.9905 3.9905 4.2599 4.2599 4.5237 4.5237 4.5892 4.5892 4.6732 4.6732 4.7197 4.7197 4.9220 4.9220 5.0316 5.0316 5.2902 5.2902 5.5439 5.5439 5.6761 5.6761 6.7102 6.7102 6.9259 6.9259 7.2261 7.2261 7.2412 7.2412 9.0869 9.0869 9.6450 9.6450 9.6730 9.6730 10.0830 10.0830 10.6718 10.6722 k = 0.4231 0.2443-0.0000 ( 10844 PWs) bands (ev): -20.5542 -20.5542 -20.5512 -20.5512 -7.2035 -7.2035 -7.1955 -7.1955 -5.9383 -5.9383 -5.4775 -5.4775 -5.2986 -5.2986 -5.1078 -5.1078 -5.0458 -5.0458 -4.8434 -4.8434 -4.7757 -4.7757 -4.6963 -4.6963 -4.4619 -4.4619 -4.3712 -4.3712 2.6229 2.6229 2.9258 2.9258 3.3638 3.3638 3.6111 3.6111 3.9847 3.9847 4.2322 4.2322 4.5228 4.5228 4.5903 4.5903 4.6693 4.6693 4.7184 4.7184 4.9140 4.9140 5.0045 5.0045 5.2383 5.2383 5.5528 5.5528 5.6805 5.6805 6.6907 6.6907 6.9193 6.9193 7.2280 7.2280 7.2411 7.2411 9.1052 9.1052 9.6534 9.6534 9.6777 9.6777 10.1182 10.1182 10.6949 10.6949 k = 0.4423 0.2554-0.0000 ( 10846 PWs) bands (ev): -20.5541 -20.5541 -20.5513 -20.5513 -7.2041 -7.2041 -7.1965 -7.1965 -5.9382 -5.9382 -5.4807 -5.4807 -5.2978 -5.2978 -5.1080 -5.1080 -5.0525 -5.0525 -4.8247 -4.8247 -4.7751 -4.7751 -4.7108 -4.7108 -4.4574 -4.4574 -4.3664 -4.3664 2.6194 2.6194 2.9248 2.9248 3.4037 3.4037 3.6241 3.6241 3.9800 3.9800 4.2073 4.2073 4.5219 4.5219 4.5913 4.5913 4.6660 4.6660 4.7178 4.7178 4.9035 4.9035 4.9867 4.9867 5.1959 5.1959 5.5602 5.5602 5.6845 5.6845 6.6752 6.6752 6.9140 6.9140 7.2301 7.2301 7.2408 7.2408 9.1200 9.1200 9.6601 9.6601 9.6812 9.6812 10.1455 10.1455 10.6966 10.6966 k = 0.4615 0.2665-0.0000 ( 10846 PWs) bands (ev): -20.5540 -20.5540 -20.5514 -20.5514 -7.2045 -7.2045 -7.1972 -7.1972 -5.9381 -5.9381 -5.4830 -5.4830 -5.2972 -5.2972 -5.1081 -5.1081 -5.0574 -5.0574 -4.8069 -4.8069 -4.7747 -4.7747 -4.7256 -4.7256 -4.4541 -4.4541 -4.3629 -4.3629 2.6167 2.6167 2.9241 2.9241 3.4353 3.4353 3.6340 3.6340 3.9766 3.9766 4.1871 4.1871 4.5210 4.5210 4.5921 4.5921 4.6635 4.6635 4.7177 4.7177 4.8928 4.8928 4.9767 4.9767 5.1645 5.1645 5.5657 5.5657 5.6875 5.6875 6.6639 6.6639 6.9100 6.9100 7.2321 7.2321 7.2402 7.2402 9.1307 9.1307 9.6648 9.6648 9.6835 9.6835 10.1649 10.1649 10.6965 10.6965 k = 0.4808 0.2776-0.0000 ( 10860 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2048 -7.2048 -7.1976 -7.1976 -5.9380 -5.9380 -5.4844 -5.4844 -5.2968 -5.2968 -5.1082 -5.1082 -5.0603 -5.0603 -4.7916 -4.7916 -4.7743 -4.7743 -4.7391 -4.7391 -4.4522 -4.4522 -4.3608 -4.3608 2.6149 2.6149 2.9237 2.9237 3.4558 3.4558 3.6404 3.6404 3.9745 3.9745 4.1737 4.1737 4.5205 4.5205 4.5927 4.5927 4.6618 4.6618 4.7178 4.7178 4.8850 4.8850 4.9719 4.9719 5.1452 5.1452 5.5691 5.5691 5.6895 5.6895 6.6570 6.6570 6.9076 6.9076 7.2338 7.2338 7.2394 7.2394 9.1373 9.1373 9.6677 9.6677 9.6850 9.6850 10.1766 10.1766 10.6961 10.6961 k = 0.5000 0.2887-0.0000 ( 10866 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2049 -7.2049 -7.1977 -7.1977 -5.9380 -5.9380 -5.4849 -5.4849 -5.2966 -5.2966 -5.1083 -5.1083 -5.0614 -5.0614 -4.7843 -4.7843 -4.7740 -4.7740 -4.7460 -4.7460 -4.4515 -4.4515 -4.3601 -4.3601 2.6142 2.6142 2.9235 2.9235 3.4628 3.4628 3.6425 3.6425 3.9738 3.9738 4.1690 4.1690 4.5203 4.5203 4.5929 4.5929 4.6612 4.6612 4.7179 4.7179 4.8821 4.8821 4.9705 4.9705 5.1387 5.1387 5.5702 5.5702 5.6902 5.6902 6.6547 6.6547 6.9067 6.9067 7.2345 7.2345 7.2390 7.2390 9.1395 9.1395 9.6686 9.6686 9.6854 9.6854 10.1804 10.1804 10.6959 10.6959 k = 0.5000 0.2887-0.0000 ( 10866 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2049 -7.2049 -7.1977 -7.1977 -5.9380 -5.9380 -5.4849 -5.4849 -5.2966 -5.2966 -5.1083 -5.1083 -5.0614 -5.0614 -4.7843 -4.7843 -4.7740 -4.7740 -4.7460 -4.7460 -4.4515 -4.4515 -4.3601 -4.3601 2.6142 2.6142 2.9235 2.9235 3.4628 3.4628 3.6425 3.6425 3.9738 3.9738 4.1690 4.1690 4.5203 4.5203 4.5929 4.5929 4.6612 4.6612 4.7179 4.7179 4.8821 4.8821 4.9705 4.9705 5.1387 5.1387 5.5702 5.5702 5.6902 5.6902 6.6547 6.6547 6.9067 6.9067 7.2345 7.2345 7.2390 7.2390 9.1395 9.1395 9.6686 9.6686 9.6854 9.6854 10.1804 10.1804 10.6959 10.6959 k = 0.4889 0.3079-0.0000 ( 10858 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2051 -7.2051 -7.1976 -7.1976 -5.9379 -5.9379 -5.4856 -5.4856 -5.2971 -5.2971 -5.1087 -5.1087 -5.0597 -5.0597 -4.7885 -4.7885 -4.7690 -4.7690 -4.7465 -4.7465 -4.4511 -4.4511 -4.3609 -4.3609 2.6170 2.6170 2.9235 2.9235 3.4612 3.4612 3.6377 3.6377 3.9744 3.9744 4.1707 4.1707 4.5200 4.5200 4.5922 4.5922 4.6621 4.6621 4.7179 4.7179 4.8830 4.8830 4.9713 4.9713 5.1425 5.1425 5.5688 5.5688 5.6884 5.6884 6.6552 6.6552 6.8947 6.8947 7.2176 7.2176 7.2613 7.2613 9.1438 9.1438 9.6689 9.6689 9.6856 9.6856 10.1749 10.1749 10.6756 10.6756 k = 0.4778 0.3272-0.0000 ( 10844 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2055 -7.2055 -7.1974 -7.1974 -5.9375 -5.9375 -5.4878 -5.4878 -5.2983 -5.2983 -5.1098 -5.1098 -5.0549 -5.0549 -4.7951 -4.7951 -4.7602 -4.7602 -4.7477 -4.7477 -4.4498 -4.4498 -4.3632 -4.3632 2.6254 2.6254 2.9233 2.9233 3.4564 3.4564 3.6238 3.6238 3.9761 3.9761 4.1753 4.1753 4.5192 4.5192 4.5904 4.5904 4.6647 4.6647 4.7177 4.7177 4.8854 4.8854 4.9740 4.9740 5.1537 5.1537 5.5648 5.5648 5.6831 5.6831 6.6569 6.6569 6.8604 6.8604 7.2047 7.2047 7.2887 7.2887 9.1566 9.1566 9.6698 9.6698 9.6860 9.6860 10.1591 10.1591 10.6322 10.6322 k = 0.4667 0.3464-0.0000 ( 10840 PWs) bands (ev): -20.5539 -20.5539 -20.5515 -20.5515 -7.2062 -7.2062 -7.1970 -7.1970 -5.9369 -5.9369 -5.4912 -5.4912 -5.3003 -5.3003 -5.1115 -5.1115 -5.0472 -5.0472 -4.8016 -4.8016 -4.7529 -4.7529 -4.7471 -4.7471 -4.4479 -4.4479 -4.3668 -4.3668 2.6392 2.6392 2.9230 2.9230 3.4485 3.4485 3.6020 3.6020 3.9789 3.9789 4.1815 4.1815 4.5178 4.5178 4.5877 4.5877 4.6687 4.6687 4.7175 4.7175 4.8893 4.8893 4.9797 4.9797 5.1714 5.1714 5.5582 5.5582 5.6746 5.6746 6.6595 6.6595 6.8080 6.8080 7.1969 7.1969 7.3166 7.3166 9.1772 9.1772 9.6712 9.6712 9.6867 9.6867 10.1354 10.1354 10.5825 10.5825 k = 0.4556 0.3657-0.0000 ( 10856 PWs) bands (ev): -20.5538 -20.5538 -20.5515 -20.5515 -7.2071 -7.2071 -7.1966 -7.1966 -5.9361 -5.9361 -5.4958 -5.4958 -5.3028 -5.3028 -5.1137 -5.1137 -5.0370 -5.0370 -4.8079 -4.8079 -4.7546 -4.7546 -4.7371 -4.7371 -4.4456 -4.4456 -4.3717 -4.3717 2.6584 2.6584 2.9227 2.9227 3.4374 3.4374 3.5741 3.5741 3.9829 3.9829 4.1878 4.1878 4.5160 4.5160 4.5842 4.5842 4.6735 4.6735 4.7173 4.7173 4.8944 4.8944 4.9893 4.9893 5.1947 5.1947 5.5493 5.5493 5.6632 5.6632 6.6629 6.6629 6.7421 6.7421 7.1926 7.1926 7.3433 7.3433 9.2047 9.2047 9.6730 9.6730 9.6878 9.6878 10.1062 10.1062 10.5328 10.5328 k = 0.4444 0.3849-0.0000 ( 10860 PWs) bands (ev): -20.5538 -20.5538 -20.5516 -20.5516 -7.2080 -7.2080 -7.1962 -7.1962 -5.9352 -5.9352 -5.5011 -5.5011 -5.3058 -5.3058 -5.1162 -5.1162 -5.0246 -5.0246 -4.8141 -4.8141 -4.7583 -4.7583 -4.7248 -4.7248 -4.4432 -4.4432 -4.3774 -4.3774 2.6828 2.6828 2.9223 2.9223 3.4231 3.4231 3.5419 3.5419 3.9880 3.9880 4.1927 4.1927 4.5137 4.5137 4.5803 4.5803 4.6789 4.6789 4.7170 4.7170 4.9006 4.9006 5.0036 5.0036 5.2228 5.2228 5.5384 5.5384 5.6493 5.6493 6.6657 6.6657 6.6671 6.6671 7.1906 7.1906 7.3676 7.3676 9.2380 9.2380 9.6753 9.6753 9.6890 9.6890 10.0735 10.0735 10.4854 10.4854 k = 0.4333 0.4041-0.0000 ( 10868 PWs) bands (ev): -20.5537 -20.5537 -20.5516 -20.5516 -7.2090 -7.2090 -7.1958 -7.1958 -5.9341 -5.9341 -5.5069 -5.5069 -5.3091 -5.3091 -5.1189 -5.1189 -5.0105 -5.0105 -4.8203 -4.8203 -4.7625 -4.7625 -4.7118 -4.7118 -4.4415 -4.4415 -4.3834 -4.3834 2.7123 2.7123 2.9218 2.9218 3.4057 3.4057 3.5071 3.5071 3.9943 3.9943 4.1952 4.1952 4.5111 4.5111 4.5762 4.5762 4.6845 4.6845 4.7167 4.7167 4.9077 4.9077 5.0223 5.0223 5.2552 5.2552 5.5262 5.5262 5.6336 5.6336 6.5826 6.5826 6.6710 6.6710 7.1900 7.1900 7.3893 7.3893 9.2759 9.2759 9.6779 9.6779 9.6906 9.6906 10.0386 10.0386 10.4416 10.4416 k = 0.4222 0.4234-0.0000 ( 10866 PWs) bands (ev): -20.5536 -20.5536 -20.5517 -20.5517 -7.2100 -7.2100 -7.1955 -7.1955 -5.9329 -5.9329 -5.5129 -5.5129 -5.3124 -5.3124 -5.1216 -5.1216 -4.9952 -4.9952 -4.8266 -4.8266 -4.7671 -4.7671 -4.6983 -4.6983 -4.4412 -4.4412 -4.3888 -4.3888 2.7466 2.7466 2.9213 2.9213 3.3850 3.3850 3.4712 3.4712 4.0016 4.0016 4.1947 4.1947 4.5084 4.5084 4.5721 4.5721 4.6901 4.6901 4.7164 4.7164 4.9155 4.9155 5.0449 5.0449 5.2912 5.2912 5.5129 5.5129 5.6167 5.6167 6.4940 6.4940 6.6752 6.6752 7.1904 7.1904 7.4082 7.4082 9.3173 9.3173 9.6808 9.6808 9.6923 9.6923 10.0025 10.0025 10.4019 10.4019 k = 0.4111 0.4426-0.0000 ( 10874 PWs) bands (ev): -20.5535 -20.5535 -20.5518 -20.5518 -7.2110 -7.2110 -7.1952 -7.1952 -5.9317 -5.9317 -5.5189 -5.5189 -5.3158 -5.3158 -5.1241 -5.1241 -4.9792 -4.9792 -4.8330 -4.8330 -4.7717 -4.7717 -4.6846 -4.6846 -4.4433 -4.4433 -4.3926 -4.3926 2.7854 2.7854 2.9208 2.9208 3.3608 3.3608 3.4356 3.4356 4.0098 4.0098 4.1911 4.1911 4.5055 4.5055 4.5681 4.5681 4.6954 4.6954 4.7161 4.7161 4.9239 4.9239 5.0703 5.0703 5.3303 5.3303 5.4996 5.4996 5.5996 5.5996 6.4021 6.4021 6.6792 6.6792 7.1914 7.1914 7.4244 7.4244 9.3612 9.3612 9.6837 9.6837 9.6942 9.6942 9.9657 9.9657 10.3666 10.3666 k = 0.4000 0.4619-0.0000 ( 10896 PWs) bands (ev): -20.5534 -20.5534 -20.5519 -20.5519 -7.2119 -7.2119 -7.1950 -7.1950 -5.9305 -5.9305 -5.5245 -5.5245 -5.3190 -5.3190 -5.1264 -5.1264 -4.9630 -4.9630 -4.8395 -4.8395 -4.7762 -4.7762 -4.6712 -4.6712 -4.4482 -4.4482 -4.3942 -4.3942 2.8282 2.8282 2.9203 2.9203 3.3333 3.3333 3.4015 3.4015 4.0189 4.0189 4.1847 4.1847 4.5028 4.5028 4.5644 4.5644 4.7002 4.7002 4.7158 4.7158 4.9325 4.9325 5.0972 5.0972 5.3707 5.3707 5.4872 5.4872 5.5837 5.5837 6.3087 6.3087 6.6827 6.6827 7.1928 7.1928 7.4379 7.4379 9.4065 9.4065 9.6867 9.6867 9.6962 9.6962 9.9285 9.9285 10.3360 10.3360 k = 0.3889 0.4811-0.0000 ( 10890 PWs) bands (ev): -20.5533 -20.5533 -20.5520 -20.5520 -7.2127 -7.2127 -7.1949 -7.1949 -5.9294 -5.9294 -5.5296 -5.5296 -5.3220 -5.3220 -5.1284 -5.1284 -4.9470 -4.9470 -4.8460 -4.8460 -4.7805 -4.7805 -4.6585 -4.6585 -4.4554 -4.4554 -4.3939 -4.3939 2.8743 2.8743 2.9202 2.9202 3.3031 3.3031 3.3692 3.3692 4.0285 4.0285 4.1761 4.1761 4.5004 4.5004 4.5612 4.5612 4.7045 4.7045 4.7155 4.7155 4.9410 4.9410 5.1242 5.1242 5.4081 5.4081 5.4785 5.4785 5.5718 5.5718 6.2156 6.2156 6.6856 6.6856 7.1943 7.1943 7.4490 7.4490 9.4524 9.4524 9.6895 9.6895 9.6982 9.6982 9.8911 9.8911 10.3100 10.3100 k = 0.3778 0.5004-0.0000 ( 10878 PWs) bands (ev): -20.5532 -20.5532 -20.5521 -20.5521 -7.2134 -7.2134 -7.1948 -7.1948 -5.9284 -5.9284 -5.5340 -5.5340 -5.3247 -5.3247 -5.1301 -5.1301 -4.9319 -4.9319 -4.8523 -4.8523 -4.7843 -4.7843 -4.6470 -4.6470 -4.4637 -4.4637 -4.3925 -4.3925 2.9151 2.9151 2.9282 2.9282 3.2715 3.2715 3.3385 3.3385 4.0384 4.0384 4.1662 4.1662 4.4983 4.4983 4.5584 4.5584 4.7080 4.7080 4.7153 4.7153 4.9489 4.9489 5.1498 5.1498 5.4305 5.4305 5.4796 5.4796 5.5706 5.5706 6.1247 6.1247 6.6878 6.6878 7.1958 7.1958 7.4577 7.4577 9.4979 9.4979 9.6922 9.6922 9.7001 9.7001 9.8537 9.8537 10.2889 10.2889 k = 0.3667 0.5196-0.0000 ( 10882 PWs) bands (ev): -20.5531 -20.5531 -20.5522 -20.5522 -7.2140 -7.2140 -7.1947 -7.1947 -5.9276 -5.9276 -5.5376 -5.5376 -5.3268 -5.3268 -5.1313 -5.1313 -4.9184 -4.9184 -4.8581 -4.8581 -4.7875 -4.7875 -4.6373 -4.6373 -4.4718 -4.4718 -4.3907 -4.3907 2.9178 2.9178 2.9758 2.9758 3.2406 3.2406 3.3087 3.3087 4.0481 4.0481 4.1558 4.1558 4.4966 4.4966 4.5562 4.5562 4.7108 4.7108 4.7151 4.7151 4.9557 4.9557 5.1722 5.1722 5.4331 5.4331 5.4849 5.4849 5.5908 5.5908 6.0384 6.0384 6.6893 6.6893 7.1972 7.1972 7.4643 7.4643 9.5421 9.5421 9.6945 9.6945 9.7021 9.7021 9.8165 9.8165 10.2727 10.2727 k = 0.3556 0.5389-0.0000 ( 10879 PWs) bands (ev): -20.5530 -20.5530 -20.5524 -20.5524 -7.2145 -7.2145 -7.1947 -7.1947 -5.9270 -5.9270 -5.5402 -5.5402 -5.3285 -5.3285 -5.1322 -5.1322 -4.9076 -4.9076 -4.8630 -4.8630 -4.7899 -4.7899 -4.6300 -4.6300 -4.4785 -4.4785 -4.3891 -4.3891 2.9178 2.9178 3.0249 3.0249 3.2136 3.2136 3.2796 3.2796 4.0567 4.0567 4.1463 4.1463 4.4954 4.4954 4.5546 4.5546 4.7128 4.7128 4.7150 4.7150 4.9611 4.9611 5.1897 5.1897 5.4303 5.4303 5.4826 5.4826 5.6290 5.6290 5.9609 5.9609 6.6901 6.6901 7.1984 7.1984 7.4688 7.4688 9.5832 9.5832 9.6965 9.6965 9.7043 9.7043 9.7803 9.7803 10.2612 10.2612 k = 0.3444 0.5581-0.0000 ( 10879 PWs) bands (ev): -20.5528 -20.5528 -20.5525 -20.5525 -7.2148 -7.2148 -7.1947 -7.1947 -5.9266 -5.9266 -5.5417 -5.5417 -5.3295 -5.3295 -5.1328 -5.1328 -4.9007 -4.9007 -4.8660 -4.8660 -4.7912 -4.7912 -4.6257 -4.6257 -4.4829 -4.4829 -4.3879 -4.3879 2.9176 2.9176 3.0652 3.0652 3.1975 3.1975 3.2516 3.2516 4.0629 4.0629 4.1394 4.1394 4.4947 4.4947 4.5536 4.5536 4.7138 4.7138 4.7150 4.7150 4.9646 4.9646 5.2008 5.2008 5.4286 5.4286 5.4777 5.4777 5.6682 5.6682 5.9002 5.9002 6.6904 6.6904 7.1991 7.1991 7.4715 7.4715 9.6168 9.6168 9.6979 9.6979 9.7085 9.7085 9.7472 9.7472 10.2544 10.2544 k = 0.3333 0.5774-0.0000 ( 10875 PWs) bands (ev): -20.5527 -20.5527 -20.5527 -20.5527 -7.2149 -7.2149 -7.1947 -7.1947 -5.9265 -5.9265 -5.5423 -5.5423 -5.3299 -5.3299 -5.1329 -5.1329 -4.8985 -4.8985 -4.8669 -4.8669 -4.7916 -4.7916 -4.6244 -4.6244 -4.4843 -4.4843 -4.3875 -4.3875 2.9176 2.9176 3.0806 3.0806 3.1994 3.1994 3.2331 3.2331 4.0652 4.0652 4.1368 4.1368 4.4945 4.4945 4.5533 4.5533 4.7140 4.7140 4.7151 4.7151 4.9658 4.9658 5.2044 5.2044 5.4284 5.4284 5.4753 5.4753 5.6864 5.6864 5.8750 5.8750 6.6904 6.6904 7.1994 7.1994 7.4723 7.4723 9.6315 9.6315 9.6984 9.6984 9.7167 9.7167 9.7260 9.7260 10.2522 10.2522 k = 0.3333 0.5774-0.0000 ( 10875 PWs) bands (ev): -20.5527 -20.5527 -20.5527 -20.5527 -7.2149 -7.2149 -7.1947 -7.1947 -5.9265 -5.9265 -5.5423 -5.5423 -5.3299 -5.3299 -5.1329 -5.1329 -4.8985 -4.8985 -4.8669 -4.8669 -4.7916 -4.7916 -4.6244 -4.6244 -4.4843 -4.4843 -4.3875 -4.3875 2.9176 2.9176 3.0806 3.0806 3.1994 3.1994 3.2331 3.2331 4.0652 4.0652 4.1368 4.1368 4.4945 4.4945 4.5533 4.5533 4.7140 4.7140 4.7151 4.7151 4.9658 4.9658 5.2044 5.2044 5.4284 5.4284 5.4753 5.4753 5.6864 5.6864 5.8750 5.8750 6.6904 6.6904 7.1994 7.1994 7.4723 7.4723 9.6315 9.6315 9.6984 9.6984 9.7167 9.7167 9.7260 9.7260 10.2522 10.2522 k = 0.3222 0.5581-0.0000 ( 10887 PWs) bands (ev): -20.5528 -20.5528 -20.5525 -20.5525 -7.2148 -7.2148 -7.1947 -7.1947 -5.9266 -5.9266 -5.5417 -5.5417 -5.3295 -5.3295 -5.1328 -5.1328 -4.9001 -4.9001 -4.8666 -4.8666 -4.7915 -4.7915 -4.6254 -4.6254 -4.4830 -4.4830 -4.3880 -4.3880 2.9176 2.9176 3.0705 3.0705 3.1824 3.1824 3.2611 3.2611 4.0631 4.0631 4.1392 4.1392 4.4947 4.4947 4.5536 4.5536 4.7138 4.7138 4.7150 4.7150 4.9646 4.9646 5.2011 5.2011 5.4279 5.4279 5.4781 5.4781 5.6706 5.6706 5.8981 5.8981 6.6905 6.6905 7.1991 7.1991 7.4715 7.4715 9.6172 9.6172 9.6980 9.6980 9.7084 9.7084 9.7466 9.7466 10.2543 10.2543 k = 0.3111 0.5389-0.0000 ( 10875 PWs) bands (ev): -20.5530 -20.5530 -20.5523 -20.5523 -7.2144 -7.2144 -7.1946 -7.1946 -5.9270 -5.9270 -5.5402 -5.5402 -5.3284 -5.3284 -5.1323 -5.1323 -4.9034 -4.9034 -4.8668 -4.8668 -4.7916 -4.7916 -4.6275 -4.6275 -4.4795 -4.4795 -4.3895 -4.3895 2.9179 2.9179 3.0509 3.0509 3.1538 3.1538 3.3116 3.3116 4.0580 4.0580 4.1455 4.1455 4.4954 4.4954 4.5546 4.5546 4.7131 4.7131 4.7149 4.7149 4.9611 4.9611 5.1918 5.1918 5.4259 5.4259 5.4855 5.4855 5.6421 5.6421 5.9495 5.9495 6.6912 6.6912 7.1982 7.1982 7.4691 7.4691 9.5852 9.5852 9.6965 9.6965 9.7038 9.7038 9.7769 9.7769 10.2604 10.2604 k = 0.3000 0.5196-0.0000 ( 10883 PWs) bands (ev): -20.5531 -20.5531 -20.5522 -20.5522 -7.2139 -7.2139 -7.1946 -7.1946 -5.9275 -5.9275 -5.5376 -5.5376 -5.3267 -5.3267 -5.1317 -5.1317 -4.9072 -4.9072 -4.8682 -4.8682 -4.7932 -4.7932 -4.6292 -4.6292 -4.4747 -4.4747 -4.3921 -4.3921 2.9183 2.9183 3.0296 3.0296 3.1234 3.1234 3.3657 3.3657 4.0516 4.0516 4.1539 4.1539 4.4964 4.4964 4.5561 4.5561 4.7117 4.7117 4.7150 4.7150 4.9559 4.9559 5.1784 5.1784 5.4229 5.4229 5.4944 5.4944 5.6200 5.6200 6.0117 6.0117 6.6928 6.6928 7.1965 7.1965 7.4653 7.4653 9.5462 9.5462 9.6936 9.6936 9.7011 9.7011 9.8074 9.8074 10.2700 10.2700 k = 0.2889 0.5004-0.0000 ( 10891 PWs) bands (ev): -20.5533 -20.5533 -20.5520 -20.5520 -7.2132 -7.2132 -7.1944 -7.1944 -5.9283 -5.9283 -5.5341 -5.5341 -5.3243 -5.3243 -5.1308 -5.1308 -4.9109 -4.9109 -4.8706 -4.8706 -4.7970 -4.7970 -4.6296 -4.6296 -4.4693 -4.4693 -4.3959 -4.3959 2.9188 2.9188 3.0088 3.0088 3.0925 3.0925 3.4187 3.4187 4.0452 4.0452 4.1634 4.1634 4.4979 4.4979 4.5582 4.5582 4.7098 4.7098 4.7153 4.7153 4.9505 4.9505 5.1623 5.1623 5.4195 5.4195 5.5020 5.5020 5.6108 5.6108 6.0781 6.0781 6.6962 6.6962 7.1942 7.1942 7.4602 7.4602 9.5042 9.5042 9.6892 9.6892 9.6988 9.6988 9.8351 9.8351 10.2826 10.2826 k = 0.2778 0.4811-0.0000 ( 10887 PWs) bands (ev): -20.5535 -20.5535 -20.5518 -20.5518 -7.2122 -7.2122 -7.1942 -7.1942 -5.9292 -5.9292 -5.5296 -5.5296 -5.3213 -5.3213 -5.1298 -5.1298 -4.9143 -4.9143 -4.8741 -4.8741 -4.8032 -4.8032 -4.6281 -4.6281 -4.4639 -4.4639 -4.4010 -4.4010 2.9195 2.9195 2.9892 2.9892 3.0618 3.0618 3.4676 3.4676 4.0397 4.0397 4.1737 4.1737 4.4998 4.4998 4.5606 4.5606 4.7077 4.7077 4.7157 4.7157 4.9467 4.9467 5.1448 5.1448 5.4164 5.4164 5.5087 5.5087 5.6137 5.6137 6.1460 6.1460 6.7019 6.7019 7.1911 7.1911 7.4537 7.4537 9.4604 9.4604 9.6834 9.6834 9.6962 9.6962 9.8586 9.8586 10.2974 10.2974 k = 0.2667 0.4619-0.0000 ( 10891 PWs) bands (ev): -20.5537 -20.5537 -20.5517 -20.5517 -7.2111 -7.2111 -7.1938 -7.1938 -5.9302 -5.9302 -5.5243 -5.5243 -5.3179 -5.3179 -5.1287 -5.1287 -4.9170 -4.9170 -4.8784 -4.8784 -4.8115 -4.8115 -4.6247 -4.6247 -4.4590 -4.4590 -4.4074 -4.4074 2.9204 2.9204 2.9702 2.9702 3.0324 3.0324 3.5101 3.5101 4.0353 4.0353 4.1851 4.1851 4.5021 4.5021 4.5632 4.5632 4.7055 4.7055 4.7164 4.7164 4.9468 4.9468 5.1272 5.1272 5.4143 5.4143 5.5163 5.5163 5.6248 5.6248 6.2140 6.2140 6.7106 6.7106 7.1874 7.1874 7.4462 7.4462 9.4152 9.4152 9.6762 9.6762 9.6931 9.6931 9.8767 9.8767 10.3137 10.3137 k = 0.2556 0.4426-0.0000 ( 10885 PWs) bands (ev): -20.5538 -20.5538 -20.5515 -20.5515 -7.2098 -7.2098 -7.1933 -7.1933 -5.9312 -5.9312 -5.5182 -5.5182 -5.3141 -5.3141 -5.1277 -5.1277 -4.9190 -4.9190 -4.8838 -4.8838 -4.8209 -4.8209 -4.6200 -4.6200 -4.4548 -4.4548 -4.4150 -4.4150 2.9213 2.9213 2.9497 2.9497 3.0065 3.0065 3.5443 3.5443 4.0322 4.0322 4.1984 4.1984 4.5048 4.5048 4.5657 4.5657 4.7034 4.7034 4.7174 4.7174 4.9529 4.9529 5.1102 5.1102 5.4135 5.4135 5.5262 5.5262 5.6406 5.6406 6.2812 6.2812 6.7231 6.7231 7.1831 7.1831 7.4376 7.4376 9.3691 9.3691 9.6677 9.6677 9.6892 9.6892 9.8883 9.8883 10.3305 10.3305 k = 0.2444 0.4234-0.0000 ( 10877 PWs) bands (ev): -20.5540 -20.5540 -20.5513 -20.5513 -7.2084 -7.2084 -7.1926 -7.1926 -5.9323 -5.9323 -5.5113 -5.5113 -5.3101 -5.3101 -5.1266 -5.1266 -4.9202 -4.9202 -4.8905 -4.8905 -4.8303 -4.8303 -4.6144 -4.6144 -4.4517 -4.4517 -4.4238 -4.4238 2.9210 2.9210 2.9260 2.9260 2.9873 2.9873 3.5683 3.5683 4.0304 4.0304 4.2148 4.2148 4.5077 4.5077 4.5680 4.5680 4.7016 4.7016 4.7188 4.7188 4.9660 4.9660 5.0951 5.0951 5.4139 5.4139 5.5379 5.5379 5.6597 5.6597 6.3470 6.3470 6.7399 6.7399 7.1782 7.1782 7.4280 7.4280 9.3223 9.3223 9.6578 9.6578 9.6844 9.6844 9.8924 9.8924 10.3469 10.3469 k = 0.2333 0.4041-0.0000 ( 10885 PWs) bands (ev): -20.5542 -20.5542 -20.5512 -20.5512 -7.2069 -7.2069 -7.1917 -7.1917 -5.9334 -5.9334 -5.5037 -5.5037 -5.3061 -5.3061 -5.1257 -5.1257 -4.9207 -4.9207 -4.8989 -4.8989 -4.8382 -4.8382 -4.6083 -4.6083 -4.4498 -4.4498 -4.4338 -4.4338 2.8933 2.8933 2.9242 2.9242 2.9760 2.9760 3.5817 3.5817 4.0298 4.0298 4.2352 4.2352 4.5107 4.5107 4.5701 4.5701 4.7001 4.7001 4.7208 4.7208 4.9849 4.9849 5.0840 5.0840 5.4152 5.4152 5.5498 5.5498 5.6823 5.6823 6.4106 6.4106 6.7615 6.7615 7.1731 7.1731 7.4177 7.4177 9.2750 9.2750 9.6468 9.6468 9.6786 9.6786 9.8880 9.8880 10.3620 10.3620 k = 0.2222 0.3849-0.0000 ( 10891 PWs) bands (ev): -20.5544 -20.5544 -20.5510 -20.5510 -7.2054 -7.2054 -7.1905 -7.1905 -5.9345 -5.9345 -5.4954 -5.4954 -5.3022 -5.3022 -5.1249 -5.1249 -4.9215 -4.9215 -4.9084 -4.9084 -4.8440 -4.8440 -4.6023 -4.6023 -4.4502 -4.4502 -4.4438 -4.4438 2.8586 2.8586 2.9255 2.9255 2.9708 2.9708 3.5846 3.5846 4.0301 4.0301 4.2600 4.2600 4.5138 4.5138 4.5719 4.5719 4.6990 4.6990 4.7233 4.7233 5.0036 5.0036 5.0834 5.0834 5.4172 5.4172 5.5600 5.5600 5.7097 5.7097 6.4718 6.4718 6.7879 6.7879 7.1679 7.1679 7.4066 7.4066 9.2273 9.2273 9.6345 9.6345 9.6715 9.6715 9.8744 9.8744 10.3747 10.3747 k = 0.2111 0.3657-0.0000 ( 10885 PWs) bands (ev): -20.5546 -20.5546 -20.5508 -20.5508 -7.2039 -7.2039 -7.1890 -7.1890 -5.9355 -5.9355 -5.4864 -5.4864 -5.2985 -5.2985 -5.1243 -5.1243 -4.9278 -4.9278 -4.9132 -4.9132 -4.8471 -4.8471 -4.5965 -4.5965 -4.4591 -4.4591 -4.4478 -4.4478 2.8212 2.8212 2.9271 2.9271 2.9704 2.9704 3.5785 3.5785 4.0312 4.0312 4.2887 4.2887 4.5168 4.5168 4.5734 4.5734 4.6987 4.6987 4.7264 4.7264 5.0108 5.0108 5.1041 5.1041 5.4194 5.4194 5.5670 5.5670 5.7430 5.7430 6.5303 6.5303 6.8189 6.8189 7.1629 7.1629 7.3950 7.3950 9.1796 9.1796 9.6211 9.6211 9.6630 9.6630 9.8507 9.8507 10.3846 10.3846 k = 0.2000 0.3464-0.0000 ( 10863 PWs) bands (ev): -20.5547 -20.5547 -20.5507 -20.5507 -7.2026 -7.2026 -7.1871 -7.1871 -5.9364 -5.9364 -5.4768 -5.4768 -5.2952 -5.2952 -5.1241 -5.1241 -4.9410 -4.9410 -4.9117 -4.9117 -4.8479 -4.8479 -4.5913 -4.5913 -4.4722 -4.4722 -4.4498 -4.4498 2.7819 2.7819 2.9290 2.9290 2.9738 2.9738 3.5652 3.5652 4.0327 4.0327 4.3206 4.3206 4.5197 4.5197 4.5746 4.5746 4.6990 4.6990 4.7302 4.7302 5.0065 5.0065 5.1449 5.1449 5.4217 5.4217 5.5701 5.5701 5.7827 5.7827 6.5860 6.5860 6.8538 6.8538 7.1586 7.1586 7.3831 7.3831 9.1321 9.1321 9.6067 9.6067 9.6529 9.6529 9.8168 9.8168 10.3910 10.3910 k = 0.1889 0.3272-0.0000 ( 10863 PWs) bands (ev): -20.5549 -20.5549 -20.5505 -20.5505 -7.2013 -7.2013 -7.1849 -7.1849 -5.9373 -5.9373 -5.4665 -5.4665 -5.2923 -5.2923 -5.1241 -5.1241 -4.9564 -4.9564 -4.9078 -4.9078 -4.8465 -4.8465 -4.5867 -4.5867 -4.4865 -4.4865 -4.4528 -4.4528 2.7413 2.7413 2.9311 2.9311 2.9807 2.9807 3.5469 3.5469 4.0343 4.0343 4.3545 4.3545 4.5226 4.5226 4.5757 4.5757 4.7000 4.7000 4.7346 4.7346 4.9985 4.9985 5.1964 5.1964 5.4242 5.4242 5.5700 5.5700 5.8285 5.8285 6.6389 6.6389 6.8914 6.8914 7.1556 7.1556 7.3710 7.3710 9.0849 9.0849 9.5913 9.5913 9.6406 9.6406 9.7730 9.7730 10.3941 10.3941 k = 0.1778 0.3079-0.0000 ( 10857 PWs) bands (ev): -20.5551 -20.5551 -20.5503 -20.5503 -7.2002 -7.2002 -7.1824 -7.1824 -5.9380 -5.9380 -5.4556 -5.4556 -5.2897 -5.2897 -5.1245 -5.1245 -4.9727 -4.9727 -4.9026 -4.9026 -4.8433 -4.8433 -4.5830 -4.5830 -4.5016 -4.5016 -4.4570 -4.4570 2.6998 2.6998 2.9334 2.9334 2.9908 2.9908 3.5256 3.5256 4.0354 4.0354 4.3894 4.3894 4.5255 4.5255 4.5767 4.5767 4.7017 4.7017 4.7398 4.7398 4.9900 4.9900 5.2524 5.2524 5.4275 5.4275 5.5680 5.5680 5.8798 5.8798 6.6891 6.6891 6.9302 6.9302 7.1549 7.1549 7.3591 7.3591 9.0383 9.0383 9.5750 9.5750 9.6254 9.6254 9.7203 9.7203 10.3941 10.3941 k = 0.1667 0.2887-0.0000 ( 10863 PWs) bands (ev): -20.5552 -20.5552 -20.5502 -20.5502 -7.1991 -7.1991 -7.1796 -7.1796 -5.9387 -5.9387 -5.4442 -5.4442 -5.2875 -5.2875 -5.1254 -5.1254 -4.9893 -4.9893 -4.8963 -4.8963 -4.8384 -4.8384 -4.5804 -4.5804 -4.5170 -4.5170 -4.4623 -4.4623 2.6577 2.6577 2.9357 2.9357 3.0038 3.0038 3.5027 3.5027 4.0359 4.0359 4.4239 4.4239 4.5285 4.5285 4.5782 4.5782 4.7039 4.7039 4.7460 4.7460 4.9824 4.9824 5.3065 5.3065 5.4336 5.4336 5.5666 5.5666 5.9358 5.9358 6.7364 6.7364 6.9683 6.9683 7.1579 7.1579 7.3477 7.3477 8.9926 8.9926 9.5580 9.5580 9.6036 9.6036 9.6634 9.6634 10.3913 10.3913 k = 0.1556 0.2694-0.0000 ( 10869 PWs) bands (ev): -20.5554 -20.5554 -20.5501 -20.5501 -7.1982 -7.1982 -7.1767 -7.1767 -5.9393 -5.9393 -5.4322 -5.4322 -5.2857 -5.2857 -5.1267 -5.1267 -5.0061 -5.0061 -4.8890 -4.8890 -4.8321 -4.8321 -4.5793 -4.5793 -4.5324 -4.5324 -4.4688 -4.4688 2.6155 2.6155 2.9380 2.9380 3.0197 3.0197 3.4795 3.4795 4.0352 4.0352 4.4564 4.4564 4.5317 4.5317 4.5808 4.5808 4.7065 4.7065 4.7535 4.7535 4.9762 4.9762 5.3482 5.3482 5.4471 5.4471 5.5708 5.5708 5.9957 5.9957 6.7802 6.7802 7.0037 7.0037 7.1661 7.1661 7.3373 7.3373 8.9480 8.9480 9.5389 9.5389 9.5609 9.5609 9.6189 9.6189 10.3864 10.3864 k = 0.1444 0.2502-0.0000 ( 10855 PWs) bands (ev): -20.5556 -20.5556 -20.5499 -20.5499 -7.1973 -7.1973 -7.1736 -7.1736 -5.9397 -5.9397 -5.4197 -5.4197 -5.2840 -5.2840 -5.1285 -5.1285 -5.0226 -5.0226 -4.8807 -4.8807 -4.8246 -4.8246 -4.5810 -4.5810 -4.5463 -4.5463 -4.4762 -4.4762 2.5736 2.5736 2.9403 2.9403 3.0381 3.0381 3.4568 3.4568 4.0330 4.0330 4.4848 4.4848 4.5352 4.5352 4.5859 4.5859 4.7094 4.7094 4.7626 4.7626 4.9716 4.9716 5.3681 5.3681 5.4669 5.4669 5.5903 5.5903 6.0586 6.0586 6.8190 6.8190 7.0355 7.0355 7.1809 7.1809 7.3286 7.3286 8.9047 8.9047 9.4853 9.4853 9.5256 9.5256 9.5928 9.5928 10.3799 10.3799 k = 0.1333 0.2309-0.0000 ( 10845 PWs) bands (ev): -20.5557 -20.5557 -20.5498 -20.5498 -7.1965 -7.1965 -7.1705 -7.1705 -5.9401 -5.9401 -5.4069 -5.4069 -5.2824 -5.2824 -5.1308 -5.1308 -5.0389 -5.0389 -4.8717 -4.8717 -4.8160 -4.8160 -4.5875 -4.5875 -4.5564 -4.5564 -4.4845 -4.4845 2.5325 2.5325 2.9424 2.9424 3.0587 3.0587 3.4353 3.4353 4.0290 4.0290 4.5063 4.5063 4.5390 4.5390 4.5953 4.5953 4.7125 4.7125 4.7738 4.7738 4.9687 4.9687 5.3717 5.3717 5.4790 5.4790 5.6332 5.6332 6.1235 6.1235 6.8513 6.8513 7.0644 7.0644 7.2016 7.2016 7.3227 7.3227 8.8631 8.8631 9.4032 9.4032 9.5070 9.5070 9.5714 9.5714 10.3721 10.3721 k = 0.1222 0.2117-0.0000 ( 10835 PWs) bands (ev): -20.5558 -20.5558 -20.5497 -20.5497 -7.1957 -7.1957 -7.1674 -7.1674 -5.9404 -5.9404 -5.3937 -5.3937 -5.2807 -5.2807 -5.1338 -5.1338 -5.0548 -5.0548 -4.8620 -4.8620 -4.8064 -4.8064 -4.5996 -4.5996 -4.5619 -4.5619 -4.4934 -4.4934 2.4926 2.4926 2.9445 2.9445 3.0812 3.0812 3.4154 3.4154 4.0229 4.0229 4.5198 4.5198 4.5427 4.5427 4.6097 4.6097 4.7155 4.7155 4.7878 4.7878 4.9675 4.9675 5.3674 5.3674 5.4813 5.4813 5.6927 5.6927 6.1895 6.1895 6.8752 6.8752 7.0934 7.0934 7.2248 7.2248 7.3217 7.3217 8.8233 8.8233 9.3150 9.3150 9.4893 9.4893 9.5508 9.5508 10.3637 10.3637 k = 0.1111 0.1925-0.0000 ( 10843 PWs) bands (ev): -20.5560 -20.5560 -20.5496 -20.5496 -7.1950 -7.1950 -7.1643 -7.1643 -5.9407 -5.9407 -5.3803 -5.3803 -5.2788 -5.2788 -5.1375 -5.1375 -5.0700 -5.0700 -4.8517 -4.8517 -4.7962 -4.7962 -4.6147 -4.6147 -4.5654 -4.5654 -4.5027 -4.5027 2.4545 2.4545 2.9464 2.9464 3.1052 3.1052 3.3974 3.3974 4.0147 4.0147 4.5274 4.5274 4.5454 4.5454 4.6270 4.6270 4.7185 4.7185 4.8051 4.8051 4.9678 4.9678 5.3592 5.3592 5.4790 5.4790 5.7590 5.7590 6.2555 6.2555 6.8900 6.8900 7.1250 7.1250 7.2451 7.2451 7.3284 7.3284 8.7856 8.7856 9.2236 9.2236 9.4720 9.4720 9.5304 9.5304 10.3547 10.3547 k = 0.1000 0.1732-0.0000 ( 10843 PWs) bands (ev): -20.5561 -20.5561 -20.5495 -20.5495 -7.1943 -7.1943 -7.1613 -7.1613 -5.9409 -5.9409 -5.3668 -5.3668 -5.2765 -5.2765 -5.1421 -5.1421 -5.0843 -5.0843 -4.8411 -4.8411 -4.7854 -4.7854 -4.6307 -4.6307 -4.5687 -4.5687 -4.5121 -4.5121 2.4185 2.4185 2.9482 2.9482 3.1302 3.1302 3.3813 3.3813 4.0045 4.0045 4.5320 4.5320 4.5469 4.5469 4.6439 4.6439 4.7213 4.7213 4.8257 4.8257 4.9695 4.9695 5.3488 5.3488 5.4751 5.4751 5.8269 5.8269 6.3202 6.3202 6.8965 6.8965 7.1596 7.1596 7.2589 7.2589 7.3448 7.3448 8.7503 8.7503 9.1313 9.1313 9.4552 9.4552 9.5105 9.5105 10.3455 10.3455 k = 0.0889 0.1540-0.0000 ( 10843 PWs) bands (ev): -20.5562 -20.5562 -20.5494 -20.5494 -7.1937 -7.1937 -7.1586 -7.1586 -5.9410 -5.9410 -5.3534 -5.3534 -5.2737 -5.2737 -5.1479 -5.1479 -5.0975 -5.0975 -4.8304 -4.8304 -4.7741 -4.7741 -4.6467 -4.6467 -4.5729 -4.5729 -4.5211 -4.5211 2.3851 2.3851 2.9499 2.9499 3.1555 3.1555 3.3673 3.3673 3.9923 3.9923 4.5352 4.5352 4.5477 4.5477 4.6585 4.6585 4.7238 4.7238 4.8491 4.8491 4.9723 4.9723 5.3373 5.3373 5.4706 5.4706 5.8937 5.8937 6.3825 6.3825 6.8967 6.8967 7.1961 7.1961 7.2682 7.2682 7.3677 7.3677 8.7176 8.7176 9.0399 9.0399 9.4392 9.4392 9.4914 9.4914 10.3363 10.3363 k = 0.0778 0.1347-0.0000 ( 10841 PWs) bands (ev): -20.5563 -20.5563 -20.5493 -20.5493 -7.1931 -7.1931 -7.1560 -7.1560 -5.9411 -5.9411 -5.3403 -5.3403 -5.2702 -5.2702 -5.1549 -5.1549 -5.1092 -5.1092 -4.8196 -4.8196 -4.7627 -4.7627 -4.6621 -4.6621 -4.5788 -4.5788 -4.5291 -4.5291 2.3547 2.3547 2.9513 2.9513 3.1806 3.1806 3.3556 3.3556 3.9786 3.9786 4.5377 4.5377 4.5480 4.5480 4.6702 4.6702 4.7261 4.7261 4.8743 4.8743 4.9757 4.9757 5.3256 5.3256 5.4662 5.4662 5.9574 5.9574 6.4411 6.4411 6.8922 6.8922 7.2315 7.2315 7.2777 7.2777 7.3926 7.3926 8.6879 8.6879 8.9514 8.9514 9.4241 9.4241 9.4736 9.4736 10.3275 10.3275 k = 0.0667 0.1155-0.0000 ( 10843 PWs) bands (ev): -20.5564 -20.5564 -20.5492 -20.5492 -7.1926 -7.1926 -7.1536 -7.1536 -5.9412 -5.9412 -5.3277 -5.3277 -5.2659 -5.2659 -5.1632 -5.1632 -5.1193 -5.1193 -4.8090 -4.8090 -4.7512 -4.7512 -4.6764 -4.6764 -4.5866 -4.5866 -4.5357 -4.5357 2.3276 2.3276 2.9526 2.9526 3.2045 3.2045 3.3463 3.3463 3.9640 3.9640 4.5396 4.5396 4.5481 4.5481 4.6794 4.6794 4.7282 4.7282 4.9000 4.9000 4.9796 4.9796 5.3141 5.3141 5.4618 5.4618 6.0167 6.0167 6.4950 6.4950 6.8846 6.8846 7.2596 7.2596 7.2947 7.2947 7.4163 7.4163 8.6612 8.6612 8.8677 8.8677 9.4102 9.4102 9.4575 9.4575 10.3192 10.3192 k = 0.0556 0.0962-0.0000 ( 10843 PWs) bands (ev): -20.5564 -20.5564 -20.5491 -20.5491 -7.1921 -7.1921 -7.1516 -7.1516 -5.9413 -5.9413 -5.3160 -5.3160 -5.2608 -5.2608 -5.1726 -5.1726 -5.1279 -5.1279 -4.7988 -4.7988 -4.7401 -4.7401 -4.6889 -4.6889 -4.5964 -4.5964 -4.5407 -4.5407 2.3042 2.3042 2.9537 2.9537 3.2262 3.2262 3.3396 3.3396 3.9491 3.9491 4.5410 4.5410 4.5483 4.5483 4.6864 4.6864 4.7299 4.7299 4.9248 4.9248 4.9835 4.9835 5.3034 5.3034 5.4578 5.4578 6.0701 6.0701 6.5432 6.5432 6.8749 6.8749 7.2754 7.2754 7.3231 7.3231 7.4371 7.4371 8.6379 8.6379 8.7910 8.7910 9.3977 9.3977 9.4436 9.4436 10.3119 10.3119 k = 0.0444 0.0770-0.0000 ( 10859 PWs) bands (ev): -20.5565 -20.5565 -20.5491 -20.5491 -7.1918 -7.1918 -7.1499 -7.1499 -5.9413 -5.9413 -5.3055 -5.3055 -5.2547 -5.2547 -5.1828 -5.1828 -5.1350 -5.1350 -4.7892 -4.7892 -4.7309 -4.7309 -4.6980 -4.6980 -4.6076 -4.6076 -4.5443 -4.5443 2.2846 2.2846 2.9546 2.9546 3.2443 3.2443 3.3359 3.3359 3.9348 3.9348 4.5421 4.5421 4.5484 4.5484 4.6917 4.6917 4.7313 4.7313 4.9473 4.9473 4.9872 4.9872 5.2937 5.2937 5.4541 5.4541 6.1162 6.1162 6.5848 6.5848 6.8643 6.8643 7.2859 7.2859 7.3548 7.3548 7.4536 7.4536 8.6180 8.6180 8.7238 8.7238 9.3868 9.3868 9.4319 9.4319 10.3057 10.3057 k = 0.0333 0.0577-0.0000 ( 10869 PWs) bands (ev): -20.5565 -20.5565 -20.5490 -20.5490 -7.1915 -7.1915 -7.1485 -7.1485 -5.9413 -5.9413 -5.2966 -5.2966 -5.2479 -5.2479 -5.1932 -5.1932 -5.1409 -5.1409 -4.7804 -4.7804 -4.7280 -4.7280 -4.6994 -4.6994 -4.6197 -4.6197 -4.5469 -4.5469 2.2692 2.2692 2.9553 2.9553 3.2577 3.2577 3.3352 3.3352 3.9221 3.9221 4.5429 4.5429 4.5486 4.5486 4.6955 4.6955 4.7324 4.7324 4.9665 4.9665 4.9904 4.9904 5.2856 5.2856 5.4510 5.4510 6.1537 6.1537 6.6191 6.6191 6.8536 6.8536 7.2945 7.2945 7.3843 7.3843 7.4654 7.4654 8.6014 8.6014 8.6689 8.6689 9.3780 9.3780 9.4228 9.4228 10.3009 10.3009 k = 0.0222 0.0385-0.0000 ( 10867 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1912 -7.1912 -7.1475 -7.1475 -5.9414 -5.9414 -5.2898 -5.2898 -5.2403 -5.2403 -5.2034 -5.2034 -5.1453 -5.1453 -4.7726 -4.7726 -4.7322 -4.7322 -4.6923 -4.6923 -4.6319 -4.6319 -4.5487 -4.5487 2.2581 2.2581 2.9558 2.9558 3.2662 3.2662 3.3368 3.3368 3.9121 3.9121 4.5434 4.5434 4.5488 4.5488 4.6981 4.6981 4.7332 4.7332 4.9809 4.9809 4.9931 4.9931 5.2794 5.2794 5.4486 5.4486 6.1815 6.1815 6.6452 6.6452 6.8440 6.8440 7.3013 7.3013 7.4090 7.4090 7.4720 7.4720 8.5872 8.5872 8.6296 8.6296 9.3715 9.3715 9.4163 9.4163 10.2974 10.2974 k = 0.0111 0.0192-0.0000 ( 10869 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1469 -7.1469 -5.9414 -5.9414 -5.2855 -5.2855 -5.2322 -5.2322 -5.2131 -5.2131 -5.1482 -5.1482 -4.7664 -4.7664 -4.7376 -4.7376 -4.6830 -4.6830 -4.6428 -4.6428 -4.5497 -4.5497 2.2514 2.2514 2.9561 2.9561 3.2705 3.2705 3.3391 3.3391 3.9056 3.9056 4.5436 4.5436 4.5489 4.5489 4.6996 4.6996 4.7336 4.7336 4.9894 4.9894 4.9954 4.9954 5.2754 5.2754 5.4471 5.4471 6.1986 6.1986 6.6619 6.6619 6.8371 6.8371 7.3058 7.3058 7.4264 7.4264 7.4742 7.4742 8.5755 8.5755 8.6082 8.6082 9.3675 9.3675 9.4124 9.4124 10.2953 10.2953 k = 0.0000 0.0000 0.0000 ( 10861 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1467 -7.1467 -5.9414 -5.9414 -5.2840 -5.2840 -5.2255 -5.2255 -5.2203 -5.2203 -5.1492 -5.1492 -4.7637 -4.7637 -4.7402 -4.7402 -4.6780 -4.6780 -4.6482 -4.6482 -4.5500 -4.5500 2.2491 2.2491 2.9562 2.9562 3.2717 3.2717 3.3400 3.3400 3.9034 3.9034 4.5437 4.5437 4.5490 4.5490 4.7000 4.7000 4.7338 4.7338 4.9917 4.9917 4.9967 4.9967 5.2741 5.2741 5.4466 5.4466 6.2044 6.2044 6.6677 6.6677 6.8346 6.8346 7.3073 7.3073 7.4330 7.4330 7.4742 7.4742 8.5704 8.5704 8.6021 8.6021 9.3661 9.3661 9.4111 9.4111 10.2946 10.2946 k = 0.0000 0.0000 0.0000 ( 10861 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1467 -7.1467 -5.9414 -5.9414 -5.2840 -5.2840 -5.2255 -5.2255 -5.2203 -5.2203 -5.1492 -5.1492 -4.7637 -4.7637 -4.7402 -4.7402 -4.6780 -4.6780 -4.6482 -4.6482 -4.5500 -4.5500 2.2491 2.2491 2.9562 2.9562 3.2717 3.2717 3.3400 3.3400 3.9034 3.9034 4.5437 4.5437 4.5490 4.5490 4.7000 4.7000 4.7338 4.7338 4.9917 4.9917 4.9967 4.9967 5.2741 5.2741 5.4466 5.4466 6.2044 6.2044 6.6677 6.6677 6.8346 6.8346 7.3073 7.3073 7.4330 7.4330 7.4742 7.4742 8.5704 8.5704 8.6021 8.6021 9.3661 9.3661 9.4111 9.4111 10.2946 10.2946 k = 0.0000 0.0000 0.0221 ( 10873 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1468 -7.1468 -5.9408 -5.9408 -5.2836 -5.2836 -5.2253 -5.2253 -5.2214 -5.2214 -5.1486 -5.1486 -4.7656 -4.7656 -4.7381 -4.7381 -4.6782 -4.6782 -4.6485 -4.6485 -4.5504 -4.5504 2.2510 2.2510 2.9565 2.9565 3.2726 3.2726 3.3408 3.3408 3.9048 3.9048 4.5362 4.5362 4.5432 4.5432 4.7015 4.7015 4.7285 4.7285 4.9913 4.9913 5.0013 5.0013 5.2820 5.2820 5.4542 5.4542 6.2053 6.2053 6.6529 6.6529 6.8454 6.8454 7.3060 7.3060 7.4317 7.4317 7.4729 7.4729 8.5713 8.5713 8.6030 8.6030 9.3684 9.3684 9.4134 9.4134 10.2944 10.2944 k = 0.0000 0.0000 0.0442 ( 10861 PWs) bands (ev): -20.5566 -20.5566 -20.5490 -20.5490 -7.1911 -7.1911 -7.1472 -7.1472 -5.9392 -5.9392 -5.2825 -5.2825 -5.2245 -5.2245 -5.2245 -5.2245 -5.1469 -5.1469 -4.7698 -4.7698 -4.7332 -4.7332 -4.6790 -4.6790 -4.6492 -4.6492 -4.5518 -4.5518 2.2568 2.2568 2.9574 2.9574 3.2752 3.2752 3.3430 3.3430 3.9088 3.9088 4.5160 4.5160 4.5265 4.5265 4.7036 4.7036 4.7136 4.7136 4.9909 4.9909 5.0141 5.0141 5.3048 5.3048 5.4765 5.4765 6.2079 6.2079 6.6157 6.6157 6.8710 6.8710 7.3022 7.3022 7.4278 7.4278 7.4691 7.4691 8.5741 8.5741 8.6058 8.6058 9.3753 9.3753 9.4201 9.4201 10.2938 10.2938 k = 0.0000 0.0000 0.0663 ( 10849 PWs) bands (ev): -20.5565 -20.5565 -20.5490 -20.5490 -7.1911 -7.1911 -7.1478 -7.1478 -5.9365 -5.9365 -5.2806 -5.2806 -5.2297 -5.2297 -5.2232 -5.2232 -5.1441 -5.1441 -4.7749 -4.7749 -4.7270 -4.7270 -4.6803 -4.6803 -4.6505 -4.6505 -4.5541 -4.5541 2.2663 2.2663 2.9590 2.9590 3.2794 3.2794 3.3468 3.3468 3.9154 3.9154 4.4873 4.4873 4.5010 4.5010 4.6914 4.6914 4.7020 4.7020 4.9927 4.9927 5.0328 5.0328 5.3402 5.3402 5.5112 5.5112 6.2124 6.2124 6.5651 6.5651 6.9021 6.9021 7.2969 7.2969 7.4217 7.4217 7.4627 7.4627 8.5788 8.5788 8.6105 8.6105 9.3861 9.3861 9.4306 9.4306 10.2930 10.2930 k = 0.0000 0.0000 0.0884 ( 10855 PWs) bands (ev): -20.5565 -20.5565 -20.5491 -20.5491 -7.1912 -7.1912 -7.1486 -7.1486 -5.9327 -5.9327 -5.2781 -5.2781 -5.2368 -5.2368 -5.2215 -5.2215 -5.1402 -5.1402 -4.7799 -4.7799 -4.7205 -4.7205 -4.6820 -4.6820 -4.6522 -4.6522 -4.5573 -4.5573 2.2795 2.2795 2.9614 2.9614 3.2853 3.2853 3.3520 3.3520 3.9243 3.9243 4.4535 4.4535 4.4690 4.4690 4.6644 4.6644 4.6938 4.6938 4.9982 4.9982 5.0551 5.0551 5.3856 5.3856 5.5560 5.5560 6.2186 6.2186 6.5053 6.5053 6.9345 6.9345 7.2913 7.2913 7.4141 7.4141 7.4538 7.4538 8.5853 8.5853 8.6170 8.6170 9.4000 9.4000 9.4439 9.4439 10.2923 10.2923 k = 0.0000 0.0000 0.1105 ( 10861 PWs) bands (ev): -20.5564 -20.5564 -20.5491 -20.5491 -7.1912 -7.1912 -7.1496 -7.1496 -5.9279 -5.9279 -5.2748 -5.2748 -5.2458 -5.2458 -5.2192 -5.2192 -5.1352 -5.1352 -4.7847 -4.7847 -4.7141 -4.7141 -4.6842 -4.6842 -4.6544 -4.6544 -4.5614 -4.5614 2.2964 2.2964 2.9648 2.9648 3.2929 3.2929 3.3586 3.3586 3.9351 3.9351 4.4166 4.4166 4.4325 4.4325 4.6348 4.6348 4.6791 4.6791 5.0072 5.0072 5.0784 5.0784 5.4387 5.4387 5.6088 5.6088 6.2265 6.2265 6.4379 6.4379 6.9664 6.9664 7.2872 7.2872 7.4057 7.4057 7.4427 7.4427 8.5936 8.5936 8.6253 8.6253 9.4160 9.4160 9.4586 9.4586 10.2919 10.2919 k = 0.0000 0.0000 0.1326 ( 10849 PWs) bands (ev): -20.5563 -20.5563 -20.5492 -20.5492 -7.1913 -7.1913 -7.1508 -7.1508 -5.9221 -5.9221 -5.2709 -5.2709 -5.2564 -5.2564 -5.2165 -5.2165 -5.1291 -5.1291 -4.7890 -4.7890 -4.7080 -4.7080 -4.6869 -4.6869 -4.6571 -4.6571 -4.5663 -4.5663 2.3169 2.3169 2.9694 2.9694 3.3021 3.3021 3.3666 3.3666 3.9477 3.9477 4.3780 4.3780 4.3933 4.3933 4.6045 4.6045 4.6593 4.6593 5.0183 5.0183 5.1007 5.1007 5.4977 5.4977 5.6679 5.6679 6.2363 6.2363 6.3639 6.3639 6.9964 6.9964 7.2868 7.2868 7.3972 7.3972 7.4298 7.4298 8.6037 8.6037 8.6355 8.6355 9.4327 9.4327 9.4732 9.4732 10.2920 10.2920 k = 0.0000 0.0000 0.1547 ( 10897 PWs) bands (ev): -20.5562 -20.5562 -20.5492 -20.5492 -7.1914 -7.1914 -7.1521 -7.1521 -5.9153 -5.9153 -5.2686 -5.2686 -5.2663 -5.2663 -5.2134 -5.2134 -5.1220 -5.1220 -4.7929 -4.7929 -4.7025 -4.7025 -4.6900 -4.6900 -4.6602 -4.6602 -4.5720 -4.5720 2.3408 2.3408 2.9752 2.9752 3.3128 3.3128 3.3760 3.3760 3.9614 3.9614 4.3386 4.3386 4.3523 4.3523 4.5747 4.5747 4.6363 4.6363 5.0296 5.0296 5.1206 5.1206 5.5614 5.5614 5.7319 5.7319 6.2478 6.2478 6.2839 6.2839 7.0232 7.0232 7.2922 7.2922 7.3896 7.3896 7.4157 7.4157 8.6157 8.6157 8.6475 8.6475 9.4488 9.4488 9.4862 9.4862 10.2925 10.2925 k = 0.0000 0.0000 0.1767 ( 10861 PWs) bands (ev): -20.5561 -20.5561 -20.5493 -20.5493 -7.1914 -7.1914 -7.1537 -7.1537 -5.9075 -5.9075 -5.2821 -5.2821 -5.2611 -5.2611 -5.2098 -5.2098 -5.1138 -5.1138 -4.7962 -4.7962 -4.6977 -4.6977 -4.6935 -4.6935 -4.6637 -4.6637 -4.5785 -4.5785 2.3680 2.3680 2.9826 2.9826 3.3250 3.3250 3.3867 3.3867 3.9761 3.9761 4.2990 4.2990 4.3105 4.3105 4.5463 4.5463 4.6118 4.6118 5.0394 5.0394 5.1367 5.1367 5.6288 5.6288 5.8000 5.8000 6.1984 6.1984 6.2611 6.2611 7.0455 7.0455 7.3038 7.3038 7.3835 7.3835 7.4024 7.4024 8.6293 8.6293 8.6613 8.6613 9.4631 9.4631 9.4962 9.4962 10.2932 10.2932 k = 0.0000 0.0000 0.1988 ( 10861 PWs) bands (ev): -20.5560 -20.5560 -20.5494 -20.5494 -7.1915 -7.1915 -7.1553 -7.1553 -5.8988 -5.8988 -5.2968 -5.2968 -5.2553 -5.2553 -5.2058 -5.2058 -5.1046 -5.1046 -4.7990 -4.7990 -4.6973 -4.6973 -4.6937 -4.6937 -4.6676 -4.6676 -4.5857 -4.5857 2.3984 2.3984 2.9915 2.9915 3.3386 3.3386 3.3985 3.3985 3.9911 3.9911 4.2595 4.2595 4.2685 4.2685 4.5199 4.5199 4.5872 4.5872 5.0465 5.0465 5.1481 5.1481 5.6991 5.6991 5.8715 5.8715 6.1082 6.1082 6.2761 6.2761 7.0632 7.0632 7.3170 7.3170 7.3795 7.3795 7.3963 7.3963 8.6447 8.6447 8.6768 8.6768 9.4744 9.4744 9.5021 9.5021 10.2933 10.2933 k = 0.0000 0.0000 0.2209 ( 10873 PWs) bands (ev): -20.5559 -20.5559 -20.5495 -20.5495 -7.1916 -7.1916 -7.1571 -7.1571 -5.8893 -5.8893 -5.3126 -5.3126 -5.2490 -5.2490 -5.2015 -5.2015 -5.0944 -5.0944 -4.8013 -4.8013 -4.7014 -4.7014 -4.6906 -4.6906 -4.6718 -4.6718 -4.5936 -4.5936 2.4318 2.4318 3.0022 3.0022 3.3536 3.3536 3.4115 3.4115 4.0063 4.0063 4.2205 4.2205 4.2268 4.2268 4.4961 4.4961 4.5634 4.5634 5.0499 5.0499 5.1542 5.1542 5.7717 5.7717 5.9458 5.9458 6.0140 6.0140 6.2930 6.2930 7.0770 7.0770 7.3180 7.3180 7.3781 7.3781 7.4112 7.4112 8.6618 8.6618 8.6940 8.6940 9.4818 9.4818 9.5031 9.5031 10.2921 10.2921 k = 0.0000 0.0000 0.2430 ( 10874 PWs) bands (ev): -20.5557 -20.5557 -20.5496 -20.5496 -7.1917 -7.1917 -7.1590 -7.1590 -5.8789 -5.8789 -5.3293 -5.3293 -5.2422 -5.2422 -5.1969 -5.1969 -5.0833 -5.0833 -4.8032 -4.8032 -4.7058 -4.7058 -4.6886 -4.6886 -4.6764 -4.6764 -4.6020 -4.6020 2.4679 2.4679 3.0146 3.0146 3.3698 3.3698 3.4254 3.4254 4.0212 4.0212 4.1822 4.1822 4.1856 4.1856 4.4754 4.4754 4.5411 4.5411 5.0489 5.0489 5.1544 5.1544 5.8461 5.8461 5.9165 5.9165 6.0223 6.0223 6.3118 6.3118 7.0883 7.0883 7.3039 7.3039 7.3795 7.3795 7.4493 7.4493 8.6806 8.6806 8.7129 8.7129 9.4848 9.4848 9.4991 9.4991 10.2883 10.2884 k = 0.0000 0.0000 0.2651 ( 10892 PWs) bands (ev): -20.5556 -20.5556 -20.5497 -20.5497 -7.1917 -7.1917 -7.1610 -7.1610 -5.8678 -5.8678 -5.3468 -5.3468 -5.2349 -5.2349 -5.1921 -5.1921 -5.0713 -5.0713 -4.8045 -4.8045 -4.7104 -4.7104 -4.6878 -4.6878 -4.6813 -4.6813 -4.6111 -4.6111 2.5066 2.5066 3.0287 3.0287 3.3871 3.3871 3.4403 3.4403 4.0356 4.0356 4.1447 4.1447 4.1453 4.1453 4.4579 4.4579 4.5209 4.5209 5.0432 5.0432 5.1486 5.1486 5.8164 5.8164 5.9216 5.9216 6.1007 6.1007 6.3325 6.3325 7.0982 7.0982 7.2831 7.2831 7.3836 7.3836 7.5016 7.5016 8.7009 8.7009 8.7334 8.7334 9.4834 9.4834 9.4902 9.4902 10.2813 10.2814 k = 0.0000 0.0000 0.2872 ( 10898 PWs) bands (ev): -20.5554 -20.5554 -20.5499 -20.5499 -7.1918 -7.1918 -7.1630 -7.1630 -5.8559 -5.8559 -5.3648 -5.3648 -5.2274 -5.2274 -5.1870 -5.1870 -5.0585 -5.0585 -4.8054 -4.8054 -4.7151 -4.7151 -4.6881 -4.6881 -4.6864 -4.6864 -4.6205 -4.6205 2.5475 2.5475 3.0445 3.0445 3.4054 3.4054 3.4558 3.4558 4.0493 4.0493 4.1060 4.1060 4.1083 4.1083 4.4440 4.4440 4.5032 4.5032 5.0328 5.0328 5.1368 5.1368 5.7145 5.7145 5.9978 5.9978 6.1806 6.1806 6.3553 6.3553 7.1067 7.1067 7.2601 7.2601 7.3901 7.3901 7.5631 7.5631 8.7228 8.7228 8.7555 8.7555 9.4769 9.4769 9.4777 9.4777 10.2677 10.2684 k = 0.0000 0.0000 0.3093 ( 10910 PWs) bands (ev): -20.5552 -20.5552 -20.5500 -20.5500 -7.1918 -7.1918 -7.1650 -7.1650 -5.8434 -5.8434 -5.3834 -5.3834 -5.2195 -5.2195 -5.1818 -5.1818 -5.0449 -5.0449 -4.8059 -4.8059 -4.7199 -4.7199 -4.6917 -4.6917 -4.6896 -4.6896 -4.6304 -4.6304 2.5905 2.5905 3.0617 3.0617 3.4247 3.4247 3.4720 3.4720 4.0624 4.0624 4.0680 4.0680 4.0729 4.0729 4.4338 4.4338 4.4884 4.4884 5.0177 5.0177 5.1192 5.1192 5.6116 5.6116 6.0741 6.0741 6.2616 6.2616 6.3804 6.3804 7.1126 7.1126 7.2378 7.2378 7.3983 7.3983 7.6319 7.6319 8.7462 8.7462 8.7791 8.7791 9.4600 9.4600 9.4682 9.4682 10.2521 10.2529 k = 0.0000 0.0000 0.3314 ( 10922 PWs) bands (ev): -20.5550 -20.5550 -20.5501 -20.5501 -7.1918 -7.1918 -7.1670 -7.1670 -5.8301 -5.8301 -5.4023 -5.4023 -5.2114 -5.2114 -5.1765 -5.1765 -5.0305 -5.0305 -4.8060 -4.8060 -4.7247 -4.7247 -4.6972 -4.6972 -4.6924 -4.6924 -4.6405 -4.6405 2.6351 2.6351 3.0801 3.0801 3.4447 3.4447 3.4887 3.4887 4.0312 4.0312 4.0386 4.0386 4.0750 4.0750 4.4275 4.4275 4.4766 4.4766 4.9982 4.9982 5.0962 5.0962 5.5082 5.5082 6.1495 6.1495 6.3433 6.3433 6.4082 6.4082 7.1128 7.1128 7.2197 7.2197 7.4076 7.4076 7.7069 7.7069 8.7710 8.7710 8.8041 8.8041 9.4401 9.4401 9.4553 9.4553 10.2354 10.2359 k = 0.0000 0.0000 0.3535 ( 10898 PWs) bands (ev): -20.5548 -20.5548 -20.5503 -20.5503 -7.1917 -7.1917 -7.1691 -7.1691 -5.8163 -5.8163 -5.4215 -5.4215 -5.2033 -5.2033 -5.1712 -5.1712 -5.0156 -5.0156 -4.8058 -4.8058 -4.7293 -4.7293 -4.7028 -4.7028 -4.6965 -4.6965 -4.6508 -4.6508 2.6810 2.6810 3.0991 3.0991 3.4654 3.4654 3.5057 3.5057 3.9959 3.9959 4.0055 4.0055 4.0874 4.0874 4.4253 4.4253 4.4682 4.4682 4.9747 4.9747 5.0682 5.0682 5.4052 5.4052 6.2231 6.2231 6.4255 6.4255 6.4394 6.4394 7.1033 7.1033 7.2094 7.2094 7.4168 7.4168 7.7877 7.7877 8.7971 8.7971 8.8305 8.8305 9.4181 9.4181 9.4398 9.4398 10.2184 10.2184 k = 0.0000 0.0000 0.3756 ( 10910 PWs) bands (ev): -20.5546 -20.5546 -20.5504 -20.5504 -7.1916 -7.1916 -7.1711 -7.1711 -5.8019 -5.8019 -5.4410 -5.4410 -5.1951 -5.1951 -5.1659 -5.1659 -5.0000 -5.0000 -4.8052 -4.8052 -4.7338 -4.7338 -4.7085 -4.7085 -4.7017 -4.7017 -4.6612 -4.6612 2.7279 2.7279 3.1182 3.1182 3.4866 3.4866 3.5230 3.5230 3.9620 3.9620 3.9736 3.9736 4.1000 4.1000 4.4271 4.4271 4.4632 4.4632 4.9477 4.9477 5.0357 5.0357 5.3034 5.3034 6.2931 6.2931 6.4752 6.4752 6.5077 6.5077 7.0832 7.0832 7.2070 7.2070 7.4249 7.4249 7.8737 7.8737 8.8244 8.8244 8.8581 8.8581 9.3947 9.3947 9.4222 9.4222 10.1771 10.1771 k = 0.0000 0.0000 0.3977 ( 10898 PWs) bands (ev): -20.5544 -20.5544 -20.5506 -20.5506 -7.1914 -7.1914 -7.1730 -7.1730 -5.7870 -5.7870 -5.4605 -5.4605 -5.1870 -5.1870 -5.1609 -5.1609 -4.9840 -4.9840 -4.8044 -4.8044 -4.7379 -4.7379 -4.7143 -4.7143 -4.7081 -4.7081 -4.6716 -4.6716 2.7754 2.7754 3.1367 3.1367 3.5082 3.5082 3.5404 3.5404 3.9296 3.9296 3.9428 3.9428 4.1135 4.1135 4.4329 4.4329 4.4618 4.4618 4.9178 4.9178 4.9991 4.9991 5.2035 5.2035 6.3575 6.3575 6.5172 6.5172 6.5895 6.5895 7.0560 7.0560 7.2084 7.2084 7.4306 7.4306 7.9647 7.9647 8.8529 8.8529 8.8869 8.8869 9.3705 9.3705 9.4030 9.4030 10.0718 10.0718 k = 0.0000 0.0000 0.4198 ( 10892 PWs) bands (ev): -20.5542 -20.5542 -20.5508 -20.5508 -7.1912 -7.1912 -7.1749 -7.1749 -5.7716 -5.7716 -5.4802 -5.4802 -5.1792 -5.1792 -5.1560 -5.1560 -4.9675 -4.9675 -4.8035 -4.8035 -4.7416 -4.7416 -4.7200 -4.7200 -4.7155 -4.7155 -4.6818 -4.6818 2.8229 2.8229 3.1538 3.1538 3.5301 3.5301 3.5579 3.5579 3.8988 3.8988 3.9131 3.9131 4.1287 4.1287 4.4428 4.4428 4.4641 4.4641 4.8854 4.8854 4.9582 4.9582 5.1070 5.1070 6.4145 6.4145 6.5668 6.5668 6.6705 6.6705 7.0246 7.0246 7.2096 7.2096 7.4327 7.4327 8.0604 8.0604 8.8823 8.8823 8.9167 8.9167 9.3459 9.3459 9.3825 9.3825 9.9606 9.9606 k = 0.0000 0.0000 0.4419 ( 10898 PWs) bands (ev): -20.5540 -20.5540 -20.5510 -20.5510 -7.1910 -7.1910 -7.1767 -7.1767 -5.7557 -5.7557 -5.4998 -5.4998 -5.1717 -5.1717 -5.1516 -5.1516 -4.9508 -4.9508 -4.8025 -4.8025 -4.7448 -4.7448 -4.7257 -4.7257 -4.7237 -4.7237 -4.6918 -4.6918 2.8700 2.8700 3.1686 3.1686 3.5521 3.5521 3.5755 3.5755 3.8694 3.8694 3.8846 3.8846 4.1465 4.1465 4.4566 4.4566 4.4701 4.4701 4.8513 4.8513 4.9117 4.9117 5.0163 5.0163 6.4639 6.4639 6.6236 6.6236 6.7502 6.7502 6.9908 6.9908 7.2080 7.2080 7.4301 7.4301 8.1606 8.1606 8.9126 8.9126 8.9473 8.9473 9.3210 9.3210 9.3609 9.3609 9.8444 9.8444 k = 0.0000 0.0000 0.4640 ( 10886 PWs) bands (ev): -20.5538 -20.5538 -20.5512 -20.5512 -7.1906 -7.1906 -7.1784 -7.1784 -5.7394 -5.7394 -5.5194 -5.5194 -5.1647 -5.1647 -5.1476 -5.1476 -4.9339 -4.9339 -4.8018 -4.8018 -4.7474 -4.7474 -4.7324 -4.7324 -4.7313 -4.7313 -4.7013 -4.7013 2.9162 2.9162 3.1800 3.1800 3.5743 3.5743 3.5930 3.5930 3.8415 3.8415 3.8571 3.8571 4.1680 4.1680 4.4743 4.4743 4.4799 4.4799 4.8160 4.8160 4.8555 4.8555 4.9368 4.9368 6.5075 6.5075 6.6854 6.6854 6.8282 6.8282 6.9557 6.9557 7.2020 7.2020 7.4218 7.4218 8.2650 8.2650 8.9436 8.9436 8.9787 8.9787 9.2960 9.2960 9.3382 9.3382 9.7240 9.7240 k = 0.0000 0.0000 0.4860 ( 10862 PWs) bands (ev): -20.5535 -20.5535 -20.5514 -20.5514 -7.1902 -7.1902 -7.1800 -7.1800 -5.7227 -5.7227 -5.5389 -5.5389 -5.1583 -5.1583 -5.1441 -5.1441 -4.9170 -4.9170 -4.8018 -4.8018 -4.7491 -4.7491 -4.7412 -4.7412 -4.7367 -4.7367 -4.7103 -4.7103 2.9609 2.9609 3.1872 3.1872 3.5966 3.5966 3.6106 3.6106 3.8151 3.8151 3.8306 3.8306 4.1943 4.1943 4.4932 4.4932 4.4957 4.4957 4.7800 4.7800 4.7857 4.7857 4.8737 4.8737 6.5475 6.5475 6.7491 6.7491 6.9039 6.9039 6.9196 6.9196 7.1904 7.1904 7.4071 7.4071 8.3734 8.3734 8.9751 8.9751 9.0104 9.0104 9.2706 9.2706 9.3143 9.3143 9.6007 9.6007 k = 0.0000 0.0000 0.5081 ( 10844 PWs) bands (ev): -20.5533 -20.5533 -20.5516 -20.5516 -7.1896 -7.1896 -7.1816 -7.1816 -5.7056 -5.7056 -5.5583 -5.5583 -5.1527 -5.1527 -5.1414 -5.1414 -4.9001 -4.9001 -4.8032 -4.8032 -4.7500 -4.7500 -4.7493 -4.7493 -4.7418 -4.7418 -4.7187 -4.7187 3.0034 3.0034 3.1893 3.1893 3.6188 3.6188 3.6283 3.6283 3.7901 3.7901 3.8049 3.8049 4.2261 4.2261 4.5102 4.5102 4.5207 4.5207 4.7079 4.7079 4.7440 4.7440 4.8222 4.8222 6.5858 6.5858 6.8125 6.8125 6.8829 6.8829 6.9769 6.9769 7.1725 7.1725 7.3854 7.3854 8.4855 8.4855 9.0069 9.0069 9.0423 9.0423 9.2447 9.2447 9.2892 9.2892 9.4755 9.4755 k = 0.0000 0.0000 0.5302 ( 10856 PWs) bands (ev): -20.5531 -20.5531 -20.5518 -20.5518 -7.1890 -7.1890 -7.1830 -7.1830 -5.6882 -5.6882 -5.5775 -5.5775 -5.1478 -5.1478 -5.1394 -5.1394 -4.8835 -4.8835 -4.8071 -4.8071 -4.7554 -4.7554 -4.7499 -4.7499 -4.7466 -4.7466 -4.7262 -4.7262 3.0430 3.0430 3.1856 3.1856 3.6412 3.6412 3.6461 3.6461 3.7665 3.7665 3.7800 3.7800 4.2643 4.2643 4.5305 4.5305 4.5490 4.5490 4.6297 4.6297 4.7085 4.7085 4.7759 4.7759 6.6232 6.6232 6.8459 6.8459 6.8739 6.8739 7.0464 7.0464 7.1481 7.1481 7.3565 7.3565 8.6010 8.6010 9.0387 9.0387 9.0736 9.0736 9.2180 9.2180 9.2628 9.2628 9.3499 9.3499 k = 0.0000 0.0000 0.5523 ( 10868 PWs) bands (ev): -20.5529 -20.5529 -20.5520 -20.5520 -7.1883 -7.1883 -7.1843 -7.1843 -5.6704 -5.6704 -5.5966 -5.5966 -5.1439 -5.1439 -5.1383 -5.1383 -4.8674 -4.8674 -4.8143 -4.8143 -4.7587 -4.7587 -4.7510 -4.7510 -4.7487 -4.7487 -4.7328 -4.7328 3.0792 3.0792 3.1759 3.1759 3.6636 3.6636 3.6643 3.6643 3.7440 3.7440 3.7558 3.7558 4.3092 4.3092 4.5540 4.5540 4.5546 4.5546 4.5805 4.5805 4.6739 4.6739 4.7324 4.7324 6.6603 6.6603 6.8087 6.8087 6.9322 6.9322 7.1118 7.1118 7.1170 7.1170 7.3204 7.3204 8.7194 8.7194 9.0703 9.0703 9.1013 9.1013 9.1903 9.1903 9.2274 9.2274 9.2352 9.2352 k = 0.0000 0.0000 0.5744 ( 10874 PWs) bands (ev): -20.5526 -20.5526 -20.5522 -20.5522 -7.1875 -7.1875 -7.1855 -7.1855 -5.6524 -5.6524 -5.6154 -5.6154 -5.1410 -5.1410 -5.1382 -5.1382 -4.8519 -4.8519 -4.8247 -4.8247 -4.7592 -4.7592 -4.7548 -4.7548 -4.7464 -4.7464 -4.7385 -4.7385 3.1112 3.1112 3.1601 3.1601 3.6831 3.6831 3.6862 3.6862 3.7228 3.7228 3.7322 3.7322 4.3610 4.3610 4.4842 4.4842 4.5804 4.5804 4.6148 4.6148 4.6408 4.6408 4.6910 4.6910 6.6973 6.6973 6.7715 6.7715 6.9864 6.9864 7.0794 7.0794 7.1726 7.1726 7.2774 7.2774 8.8401 8.8401 9.0769 9.0769 9.1015 9.1015 9.1572 9.1572 9.1616 9.1616 9.2066 9.2066 k = 0.0000 0.0000 0.5965 ( 10850 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1865 -7.1865 -7.1865 -7.1865 -5.6340 -5.6340 -5.6340 -5.6340 -5.1391 -5.1391 -5.1391 -5.1391 -4.8375 -4.8375 -4.8375 -4.8375 -4.7577 -4.7577 -4.7577 -4.7577 -4.7430 -4.7430 -4.7430 -4.7430 3.1384 3.1384 3.1384 3.1384 3.7025 3.7025 3.7025 3.7025 3.7090 3.7090 3.7090 3.7090 4.4194 4.4194 4.4194 4.4194 4.6095 4.6095 4.6095 4.6095 4.6518 4.6518 4.6518 4.6518 6.7344 6.7344 6.7344 6.7344 7.0357 7.0357 7.0357 7.0357 7.2280 7.2280 7.2280 7.2280 8.9619 8.9619 8.9619 8.9619 9.1320 9.1320 9.1320 9.1320 9.1780 9.1780 9.1780 9.1780 k = 0.0000 0.0000 0.5965 ( 10850 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1865 -7.1865 -7.1865 -7.1865 -5.6340 -5.6340 -5.6340 -5.6340 -5.1391 -5.1391 -5.1391 -5.1391 -4.8375 -4.8375 -4.8375 -4.8375 -4.7577 -4.7577 -4.7577 -4.7577 -4.7430 -4.7430 -4.7430 -4.7430 3.1384 3.1384 3.1384 3.1384 3.7025 3.7025 3.7025 3.7025 3.7090 3.7090 3.7090 3.7090 4.4194 4.4194 4.4194 4.4194 4.6095 4.6095 4.6095 4.6095 4.6518 4.6518 4.6518 4.6518 6.7344 6.7344 6.7344 6.7344 7.0357 7.0357 7.0357 7.0357 7.2280 7.2280 7.2280 7.2280 8.9619 8.9619 8.9619 8.9619 9.1320 9.1320 9.1320 9.1320 9.1780 9.1780 9.1780 9.1780 k = 0.0192 0.0111 0.5965 ( 10880 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1866 -7.1866 -7.1866 -7.1866 -5.6341 -5.6341 -5.6341 -5.6341 -5.1398 -5.1398 -5.1398 -5.1398 -4.8390 -4.8390 -4.8390 -4.8390 -4.7563 -4.7563 -4.7563 -4.7563 -4.7417 -4.7417 -4.7417 -4.7417 3.1398 3.1398 3.1398 3.1398 3.7014 3.7014 3.7014 3.7014 3.7085 3.7085 3.7085 3.7085 4.4193 4.4193 4.4193 4.4193 4.6097 4.6097 4.6097 4.6097 4.6525 4.6525 4.6525 4.6525 6.7296 6.7296 6.7296 6.7296 7.0332 7.0332 7.0332 7.0332 7.2252 7.2252 7.2252 7.2252 8.9634 8.9634 8.9634 8.9634 9.1338 9.1338 9.1338 9.1338 9.1802 9.1802 9.1802 9.1802 k = 0.0385 0.0222 0.5965 ( 10884 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1869 -7.1869 -7.1869 -7.1869 -5.6343 -5.6343 -5.6343 -5.6343 -5.1418 -5.1418 -5.1418 -5.1418 -4.8433 -4.8433 -4.8433 -4.8433 -4.7528 -4.7528 -4.7528 -4.7528 -4.7376 -4.7376 -4.7376 -4.7376 3.1439 3.1439 3.1439 3.1439 3.6965 3.6965 3.6965 3.6965 3.7091 3.7091 3.7091 3.7091 4.4190 4.4190 4.4190 4.4190 4.6103 4.6103 4.6103 4.6103 4.6548 4.6548 4.6548 4.6548 6.7152 6.7152 6.7152 6.7152 7.0255 7.0255 7.0255 7.0255 7.2173 7.2173 7.2173 7.2173 8.9676 8.9676 8.9676 8.9676 9.1383 9.1383 9.1383 9.1383 9.1873 9.1873 9.1873 9.1873 k = 0.0577 0.0333 0.5965 ( 10882 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1873 -7.1873 -7.1873 -7.1873 -5.6347 -5.6347 -5.6347 -5.6347 -5.1451 -5.1451 -5.1451 -5.1451 -4.8493 -4.8493 -4.8493 -4.8493 -4.7485 -4.7485 -4.7485 -4.7485 -4.7305 -4.7305 -4.7305 -4.7305 3.1509 3.1509 3.1509 3.1509 3.6868 3.6868 3.6868 3.6868 3.7115 3.7115 3.7115 3.7115 4.4185 4.4185 4.4185 4.4185 4.6111 4.6111 4.6111 4.6111 4.6587 4.6587 4.6587 4.6587 6.6919 6.6919 6.6919 6.6919 7.0121 7.0121 7.0121 7.0121 7.2051 7.2051 7.2051 7.2051 8.9743 8.9743 8.9743 8.9743 9.1441 9.1441 9.1441 9.1441 9.2006 9.2006 9.2006 9.2006 k = 0.0769 0.0444 0.5965 ( 10870 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1879 -7.1879 -7.1879 -7.1879 -5.6352 -5.6352 -5.6352 -5.6352 -5.1496 -5.1496 -5.1496 -5.1496 -4.8563 -4.8563 -4.8563 -4.8563 -4.7438 -4.7438 -4.7438 -4.7438 -4.7209 -4.7209 -4.7209 -4.7209 3.1604 3.1604 3.1604 3.1604 3.6732 3.6732 3.6732 3.6732 3.7155 3.7155 3.7155 3.7155 4.4175 4.4175 4.4175 4.4175 4.6119 4.6119 4.6119 4.6119 4.6642 4.6642 4.6642 4.6642 6.6603 6.6603 6.6603 6.6603 6.9923 6.9923 6.9923 6.9923 7.1901 7.1901 7.1901 7.1901 8.9829 8.9829 8.9829 8.9829 9.1502 9.1502 9.1502 9.1502 9.2203 9.2203 9.2203 9.2203 k = 0.0962 0.0555 0.5965 ( 10866 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1886 -7.1886 -7.1886 -7.1886 -5.6359 -5.6359 -5.6359 -5.6359 -5.1551 -5.1551 -5.1551 -5.1551 -4.8636 -4.8636 -4.8636 -4.8636 -4.7387 -4.7387 -4.7387 -4.7387 -4.7094 -4.7094 -4.7094 -4.7094 3.1725 3.1725 3.1725 3.1725 3.6564 3.6564 3.6564 3.6564 3.7206 3.7206 3.7206 3.7206 4.4160 4.4160 4.4160 4.4160 4.6127 4.6127 4.6127 4.6127 4.6714 4.6714 4.6714 4.6714 6.6213 6.6213 6.6213 6.6213 6.9655 6.9655 6.9655 6.9655 7.1737 7.1737 7.1737 7.1737 8.9926 8.9926 8.9926 8.9926 9.1572 9.1572 9.1572 9.1572 9.2452 9.2452 9.2452 9.2452 k = 0.1154 0.0666 0.5965 ( 10874 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1895 -7.1895 -7.1895 -7.1895 -5.6367 -5.6367 -5.6367 -5.6367 -5.1615 -5.1615 -5.1615 -5.1615 -4.8710 -4.8710 -4.8710 -4.8710 -4.7331 -4.7331 -4.7331 -4.7331 -4.6968 -4.6968 -4.6968 -4.6968 3.1870 3.1870 3.1870 3.1870 3.6370 3.6370 3.6370 3.6370 3.7270 3.7270 3.7270 3.7270 4.4140 4.4140 4.4140 4.4140 4.6133 4.6133 4.6133 4.6133 4.6801 4.6801 4.6801 4.6801 6.5760 6.5760 6.5760 6.5760 6.9311 6.9311 6.9311 6.9311 7.1574 7.1574 7.1574 7.1574 9.0024 9.0024 9.0024 9.0024 9.1662 9.1662 9.1662 9.1662 9.2738 9.2738 9.2738 9.2738 k = 0.1346 0.0777 0.5965 ( 10900 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1905 -7.1905 -7.1905 -7.1905 -5.6376 -5.6376 -5.6376 -5.6376 -5.1687 -5.1687 -5.1687 -5.1687 -4.8782 -4.8782 -4.8782 -4.8782 -4.7270 -4.7270 -4.7270 -4.7270 -4.6834 -4.6834 -4.6834 -4.6834 3.2036 3.2036 3.2036 3.2036 3.6155 3.6155 3.6155 3.6155 3.7344 3.7344 3.7344 3.7344 4.4115 4.4115 4.4115 4.4115 4.6136 4.6136 4.6136 4.6136 4.6901 4.6901 4.6901 4.6901 6.5256 6.5256 6.5256 6.5256 6.8894 6.8894 6.8894 6.8894 7.1420 7.1420 7.1420 7.1420 9.0113 9.0113 9.0113 9.0113 9.1786 9.1786 9.1786 9.1786 9.3044 9.3044 9.3044 9.3044 k = 0.1538 0.0888 0.5965 ( 10898 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1917 -7.1917 -7.1917 -7.1917 -5.6385 -5.6385 -5.6385 -5.6385 -5.1765 -5.1765 -5.1765 -5.1765 -4.8850 -4.8850 -4.8850 -4.8850 -4.7205 -4.7205 -4.7205 -4.7205 -4.6697 -4.6697 -4.6697 -4.6697 3.2220 3.2220 3.2220 3.2220 3.5927 3.5927 3.5927 3.5927 3.7428 3.7428 3.7428 3.7428 4.4084 4.4084 4.4084 4.4084 4.6138 4.6138 4.6138 4.6138 4.7011 4.7011 4.7011 4.7011 6.4712 6.4712 6.4712 6.4712 6.8411 6.8411 6.8411 6.8411 7.1277 7.1277 7.1277 7.1277 9.0183 9.0183 9.0183 9.0183 9.1951 9.1951 9.1951 9.1951 9.3356 9.3356 9.3356 9.3356 k = 0.1731 0.0999 0.5965 ( 10884 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1929 -7.1929 -7.1929 -7.1929 -5.6396 -5.6396 -5.6396 -5.6396 -5.1847 -5.1847 -5.1847 -5.1847 -4.8915 -4.8915 -4.8915 -4.8915 -4.7137 -4.7137 -4.7137 -4.7137 -4.6557 -4.6557 -4.6557 -4.6557 3.2418 3.2418 3.2418 3.2418 3.5692 3.5692 3.5692 3.5692 3.7522 3.7522 3.7522 3.7522 4.4048 4.4048 4.4048 4.4048 4.6137 4.6137 4.6137 4.6137 4.7129 4.7129 4.7129 4.7129 6.4139 6.4139 6.4139 6.4139 6.7872 6.7872 6.7872 6.7872 7.1146 7.1146 7.1146 7.1146 9.0231 9.0231 9.0231 9.0231 9.2164 9.2164 9.2164 9.2164 9.3662 9.3662 9.3662 9.3662 k = 0.1923 0.1110 0.5965 ( 10876 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1942 -7.1942 -7.1942 -7.1942 -5.6407 -5.6407 -5.6407 -5.6407 -5.1932 -5.1932 -5.1932 -5.1932 -4.8975 -4.8975 -4.8975 -4.8975 -4.7066 -4.7066 -4.7066 -4.7066 -4.6416 -4.6416 -4.6416 -4.6416 3.2623 3.2623 3.2623 3.2623 3.5460 3.5460 3.5460 3.5460 3.7625 3.7625 3.7625 3.7625 4.4008 4.4008 4.4008 4.4008 4.6134 4.6134 4.6134 4.6134 4.7250 4.7250 4.7250 4.7250 6.3548 6.3548 6.3548 6.3548 6.7288 6.7288 6.7288 6.7288 7.1024 7.1024 7.1024 7.1024 9.0256 9.0256 9.0256 9.0256 9.2424 9.2424 9.2424 9.2424 9.3956 9.3956 9.3956 9.3956 k = 0.2115 0.1221 0.5965 ( 10864 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1955 -7.1955 -7.1955 -7.1955 -5.6419 -5.6419 -5.6419 -5.6419 -5.2018 -5.2018 -5.2018 -5.2018 -4.9031 -4.9031 -4.9031 -4.9031 -4.6995 -4.6995 -4.6995 -4.6995 -4.6277 -4.6277 -4.6277 -4.6277 3.2825 3.2825 3.2825 3.2825 3.5243 3.5243 3.5243 3.5243 3.7737 3.7737 3.7737 3.7737 4.3966 4.3966 4.3966 4.3966 4.6128 4.6128 4.6128 4.6128 4.7374 4.7374 4.7374 4.7374 6.2947 6.2947 6.2947 6.2947 6.6673 6.6673 6.6673 6.6673 7.0911 7.0911 7.0911 7.0911 9.0263 9.0263 9.0263 9.0263 9.2727 9.2727 9.2727 9.2727 9.4231 9.4231 9.4231 9.4231 k = 0.2308 0.1332 0.5965 ( 10862 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1969 -7.1969 -7.1969 -7.1969 -5.6431 -5.6431 -5.6431 -5.6431 -5.2105 -5.2105 -5.2105 -5.2105 -4.9083 -4.9083 -4.9083 -4.9083 -4.6923 -4.6923 -4.6923 -4.6923 -4.6141 -4.6141 -4.6141 -4.6141 3.3009 3.3009 3.3009 3.3009 3.5056 3.5056 3.5056 3.5056 3.7855 3.7855 3.7855 3.7855 4.3922 4.3922 4.3922 4.3922 4.6121 4.6121 4.6121 4.6121 4.7497 4.7497 4.7497 4.7497 6.2345 6.2345 6.2345 6.2345 6.6035 6.6035 6.6035 6.6035 7.0804 7.0804 7.0804 7.0804 9.0256 9.0256 9.0256 9.0256 9.3067 9.3067 9.3067 9.3067 9.4485 9.4485 9.4485 9.4485 k = 0.2500 0.1443 0.5965 ( 10882 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1983 -7.1983 -7.1983 -7.1983 -5.6443 -5.6443 -5.6443 -5.6443 -5.2190 -5.2190 -5.2190 -5.2190 -4.9129 -4.9129 -4.9129 -4.9129 -4.6853 -4.6853 -4.6853 -4.6853 -4.6008 -4.6008 -4.6008 -4.6008 3.3151 3.3151 3.3151 3.3151 3.4926 3.4926 3.4926 3.4926 3.7980 3.7980 3.7980 3.7980 4.3879 4.3879 4.3879 4.3879 4.6112 4.6112 4.6112 4.6112 4.7616 4.7616 4.7616 4.7616 6.1751 6.1751 6.1751 6.1751 6.5386 6.5386 6.5386 6.5386 7.0703 7.0703 7.0703 7.0703 9.0239 9.0239 9.0239 9.0239 9.3437 9.3437 9.3437 9.3437 9.4717 9.4717 9.4717 9.4717 k = 0.2692 0.1554 0.5965 ( 10874 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1997 -7.1997 -7.1997 -7.1997 -5.6455 -5.6455 -5.6455 -5.6455 -5.2274 -5.2274 -5.2274 -5.2274 -4.9172 -4.9172 -4.9172 -4.9172 -4.6784 -4.6784 -4.6784 -4.6784 -4.5880 -4.5880 -4.5880 -4.5880 3.3221 3.3221 3.3221 3.3221 3.4882 3.4882 3.4882 3.4882 3.8110 3.8110 3.8110 3.8110 4.3837 4.3837 4.3837 4.3837 4.6100 4.6100 4.6100 4.6100 4.7732 4.7732 4.7732 4.7732 6.1171 6.1171 6.1171 6.1171 6.4734 6.4734 6.4734 6.4734 7.0607 7.0607 7.0607 7.0607 9.0216 9.0216 9.0216 9.0216 9.3831 9.3831 9.3831 9.3831 9.4929 9.4929 9.4929 9.4929 k = 0.2885 0.1665 0.5965 ( 10866 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2011 -7.2011 -7.2011 -7.2011 -5.6467 -5.6467 -5.6467 -5.6467 -5.2354 -5.2354 -5.2354 -5.2354 -4.9210 -4.9210 -4.9210 -4.9210 -4.6717 -4.6717 -4.6717 -4.6717 -4.5758 -4.5758 -4.5758 -4.5758 3.3203 3.3203 3.3203 3.3203 3.4937 3.4937 3.4937 3.4937 3.8243 3.8243 3.8243 3.8243 4.3797 4.3797 4.3797 4.3797 4.6087 4.6087 4.6087 4.6087 4.7841 4.7841 4.7841 4.7841 6.0612 6.0612 6.0612 6.0612 6.4090 6.4090 6.4090 6.4090 7.0518 7.0518 7.0518 7.0518 9.0191 9.0191 9.0191 9.0191 9.4237 9.4237 9.4237 9.4237 9.5129 9.5129 9.5129 9.5129 k = 0.3077 0.1776 0.5965 ( 10874 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2025 -7.2025 -7.2025 -7.2025 -5.6478 -5.6478 -5.6478 -5.6478 -5.2430 -5.2430 -5.2430 -5.2430 -4.9244 -4.9244 -4.9244 -4.9244 -4.6654 -4.6654 -4.6654 -4.6654 -4.5642 -4.5642 -4.5642 -4.5642 3.3113 3.3113 3.3113 3.3113 3.5076 3.5076 3.5076 3.5076 3.8378 3.8378 3.8378 3.8378 4.3761 4.3761 4.3761 4.3761 4.6072 4.6072 4.6072 4.6072 4.7942 4.7942 4.7942 4.7942 6.0080 6.0080 6.0080 6.0080 6.3462 6.3462 6.3462 6.3462 7.0433 7.0433 7.0433 7.0433 9.0164 9.0164 9.0164 9.0164 9.4636 9.4636 9.4636 9.4636 9.5331 9.5331 9.5331 9.5331 k = 0.3269 0.1887 0.5965 ( 10886 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2037 -7.2037 -7.2037 -7.2037 -5.6489 -5.6489 -5.6489 -5.6489 -5.2501 -5.2501 -5.2501 -5.2501 -4.9274 -4.9274 -4.9274 -4.9274 -4.6594 -4.6594 -4.6594 -4.6594 -4.5535 -4.5535 -4.5535 -4.5535 3.2979 3.2979 3.2979 3.2979 3.5267 3.5267 3.5267 3.5267 3.8513 3.8513 3.8513 3.8513 4.3729 4.3729 4.3729 4.3729 4.6055 4.6055 4.6055 4.6055 4.8035 4.8035 4.8035 4.8035 5.9580 5.9580 5.9580 5.9580 6.2858 6.2858 6.2858 6.2858 7.0356 7.0356 7.0356 7.0356 9.0138 9.0138 9.0138 9.0138 9.4986 9.4986 9.4986 9.4986 9.5575 9.5575 9.5575 9.5575 k = 0.3462 0.1999 0.5965 ( 10870 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2049 -7.2049 -7.2049 -7.2049 -5.6498 -5.6498 -5.6498 -5.6498 -5.2567 -5.2567 -5.2567 -5.2567 -4.9300 -4.9300 -4.9300 -4.9300 -4.6539 -4.6539 -4.6539 -4.6539 -4.5437 -4.5437 -4.5437 -4.5437 3.2828 3.2828 3.2828 3.2828 3.5483 3.5483 3.5483 3.5483 3.8646 3.8646 3.8646 3.8646 4.3702 4.3702 4.3702 4.3702 4.6036 4.6036 4.6036 4.6036 4.8119 4.8119 4.8119 4.8119 5.9118 5.9118 5.9118 5.9118 6.2287 6.2287 6.2287 6.2287 7.0284 7.0284 7.0284 7.0284 9.0114 9.0114 9.0114 9.0114 9.5234 9.5234 9.5234 9.5234 9.5909 9.5909 9.5909 9.5909 k = 0.3654 0.2110 0.5965 ( 10866 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2060 -7.2060 -7.2060 -7.2060 -5.6507 -5.6507 -5.6507 -5.6507 -5.2627 -5.2627 -5.2627 -5.2627 -4.9323 -4.9323 -4.9323 -4.9323 -4.6490 -4.6490 -4.6490 -4.6490 -4.5348 -4.5348 -4.5348 -4.5348 3.2675 3.2675 3.2675 3.2675 3.5703 3.5703 3.5703 3.5703 3.8774 3.8774 3.8774 3.8774 4.3680 4.3680 4.3680 4.3680 4.6017 4.6017 4.6017 4.6017 4.8194 4.8194 4.8194 4.8194 5.8697 5.8697 5.8697 5.8697 6.1757 6.1757 6.1757 6.1757 7.0220 7.0220 7.0220 7.0220 9.0092 9.0092 9.0092 9.0092 9.5392 9.5392 9.5392 9.5392 9.6315 9.6315 9.6315 9.6315 k = 0.3846 0.2221 0.5965 ( 10882 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2070 -7.2070 -7.2070 -7.2070 -5.6515 -5.6515 -5.6515 -5.6515 -5.2679 -5.2679 -5.2679 -5.2679 -4.9342 -4.9342 -4.9342 -4.9342 -4.6446 -4.6446 -4.6446 -4.6446 -4.5270 -4.5270 -4.5270 -4.5270 3.2531 3.2531 3.2531 3.2531 3.5914 3.5914 3.5914 3.5914 3.8895 3.8895 3.8895 3.8895 4.3664 4.3664 4.3664 4.3664 4.5997 4.5997 4.5997 4.5997 4.8258 4.8258 4.8258 4.8258 5.8324 5.8324 5.8324 5.8324 6.1277 6.1277 6.1277 6.1277 7.0163 7.0163 7.0163 7.0163 9.0073 9.0073 9.0073 9.0073 9.5500 9.5500 9.5500 9.5500 9.6747 9.6747 9.6747 9.6747 k = 0.4038 0.2332 0.5965 ( 10876 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2079 -7.2079 -7.2079 -7.2079 -5.6522 -5.6522 -5.6522 -5.6522 -5.2725 -5.2725 -5.2725 -5.2725 -4.9358 -4.9358 -4.9358 -4.9358 -4.6408 -4.6408 -4.6408 -4.6408 -4.5202 -4.5202 -4.5202 -4.5202 3.2402 3.2402 3.2402 3.2402 3.6107 3.6107 3.6107 3.6107 3.9005 3.9005 3.9005 3.9005 4.3653 4.3653 4.3653 4.3653 4.5977 4.5977 4.5977 4.5977 4.8313 4.8313 4.8313 4.8313 5.8000 5.8000 5.8000 5.8000 6.0854 6.0854 6.0854 6.0854 7.0114 7.0114 7.0114 7.0114 9.0057 9.0057 9.0057 9.0057 9.5579 9.5579 9.5579 9.5579 9.7173 9.7173 9.7173 9.7173 k = 0.4231 0.2443 0.5965 ( 10876 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2086 -7.2086 -7.2086 -7.2086 -5.6528 -5.6528 -5.6528 -5.6528 -5.2763 -5.2763 -5.2763 -5.2763 -4.9371 -4.9371 -4.9371 -4.9371 -4.6376 -4.6376 -4.6376 -4.6376 -4.5146 -4.5146 -4.5146 -4.5146 3.2292 3.2292 3.2292 3.2292 3.6274 3.6274 3.6274 3.6274 3.9101 3.9101 3.9101 3.9101 4.3646 4.3646 4.3646 4.3646 4.5959 4.5959 4.5959 4.5959 4.8357 4.8357 4.8357 4.8357 5.7730 5.7730 5.7730 5.7730 6.0496 6.0496 6.0496 6.0496 7.0074 7.0074 7.0074 7.0074 9.0043 9.0043 9.0043 9.0043 9.5637 9.5637 9.5637 9.5637 9.7570 9.7570 9.7570 9.7570 k = 0.4423 0.2554 0.5965 ( 10880 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2091 -7.2091 -7.2091 -7.2091 -5.6533 -5.6533 -5.6533 -5.6533 -5.2792 -5.2792 -5.2792 -5.2792 -4.9381 -4.9381 -4.9381 -4.9381 -4.6351 -4.6351 -4.6351 -4.6351 -4.5102 -4.5102 -4.5102 -4.5102 3.2204 3.2204 3.2204 3.2204 3.6409 3.6409 3.6409 3.6409 3.9180 3.9180 3.9180 3.9180 4.3642 4.3642 4.3642 4.3642 4.5943 4.5943 4.5943 4.5943 4.8391 4.8391 4.8391 4.8391 5.7517 5.7517 5.7517 5.7517 6.0210 6.0210 6.0210 6.0210 7.0042 7.0042 7.0042 7.0042 9.0033 9.0033 9.0033 9.0033 9.5680 9.5680 9.5680 9.5680 9.7917 9.7917 9.7917 9.7917 k = 0.4615 0.2665 0.5965 ( 10860 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2095 -7.2095 -7.2095 -7.2095 -5.6536 -5.6536 -5.6536 -5.6536 -5.2814 -5.2814 -5.2814 -5.2814 -4.9388 -4.9388 -4.9388 -4.9388 -4.6333 -4.6333 -4.6333 -4.6333 -4.5070 -4.5070 -4.5070 -4.5070 3.2140 3.2140 3.2140 3.2140 3.6509 3.6509 3.6509 3.6509 3.9239 3.9239 3.9239 3.9239 4.3640 4.3640 4.3640 4.3640 4.5931 4.5931 4.5931 4.5931 4.8416 4.8416 4.8416 4.8416 5.7363 5.7363 5.7363 5.7363 6.0001 6.0001 6.0001 6.0001 7.0019 7.0019 7.0019 7.0019 9.0026 9.0026 9.0026 9.0026 9.5709 9.5709 9.5709 9.5709 9.8189 9.8189 9.8189 9.8189 k = 0.4808 0.2776 0.5965 ( 10864 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2098 -7.2098 -7.2098 -7.2098 -5.6538 -5.6538 -5.6538 -5.6538 -5.2827 -5.2827 -5.2827 -5.2827 -4.9392 -4.9392 -4.9392 -4.9392 -4.6322 -4.6322 -4.6322 -4.6322 -4.5051 -4.5051 -4.5051 -4.5051 3.2101 3.2101 3.2101 3.2101 3.6570 3.6570 3.6570 3.6570 3.9276 3.9276 3.9276 3.9276 4.3639 4.3639 4.3639 4.3639 4.5924 4.5924 4.5924 4.5924 4.8430 4.8430 4.8430 4.8430 5.7270 5.7270 5.7270 5.7270 5.9873 5.9873 5.9873 5.9873 7.0005 7.0005 7.0005 7.0005 9.0022 9.0022 9.0022 9.0022 9.5726 9.5726 9.5726 9.5726 9.8364 9.8364 9.8364 9.8364 k = 0.5000 0.2887 0.5965 ( 10868 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2099 -7.2099 -7.2099 -7.2099 -5.6539 -5.6539 -5.6539 -5.6539 -5.2831 -5.2831 -5.2831 -5.2831 -4.9394 -4.9394 -4.9394 -4.9394 -4.6319 -4.6319 -4.6319 -4.6319 -4.5045 -4.5045 -4.5045 -4.5045 3.2088 3.2088 3.2088 3.2088 3.6591 3.6591 3.6591 3.6591 3.9288 3.9288 3.9288 3.9288 4.3639 4.3639 4.3639 4.3639 4.5921 4.5921 4.5921 4.5921 4.8435 4.8435 4.8435 4.8435 5.7239 5.7239 5.7239 5.7239 5.9830 5.9830 5.9830 5.9830 7.0000 7.0000 7.0000 7.0000 9.0020 9.0020 9.0020 9.0020 9.5731 9.5731 9.5731 9.5731 9.8425 9.8425 9.8425 9.8425 k = 0.5000 0.2887 0.5965 ( 10868 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2099 -7.2099 -7.2099 -7.2099 -5.6539 -5.6539 -5.6539 -5.6539 -5.2831 -5.2831 -5.2831 -5.2831 -4.9394 -4.9394 -4.9394 -4.9394 -4.6319 -4.6319 -4.6319 -4.6319 -4.5045 -4.5045 -4.5045 -4.5045 3.2088 3.2088 3.2088 3.2088 3.6591 3.6591 3.6591 3.6591 3.9288 3.9288 3.9288 3.9288 4.3639 4.3639 4.3639 4.3639 4.5921 4.5921 4.5921 4.5921 4.8435 4.8435 4.8435 4.8435 5.7239 5.7239 5.7239 5.7239 5.9830 5.9830 5.9830 5.9830 7.0000 7.0000 7.0000 7.0000 9.0020 9.0020 9.0020 9.0020 9.5731 9.5731 9.5731 9.5731 9.8425 9.8425 9.8425 9.8425 k = 0.4889 0.3079 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2100 -7.2100 -7.2098 -7.2098 -5.6586 -5.6586 -5.6488 -5.6488 -5.2980 -5.2980 -5.2696 -5.2696 -4.9478 -4.9478 -4.9288 -4.9288 -4.6387 -4.6387 -4.6258 -4.6258 -4.5112 -4.5112 -4.4979 -4.4979 3.2083 3.2083 3.2110 3.2110 3.6546 3.6546 3.6631 3.6631 3.9263 3.9263 3.9320 3.9320 4.3551 4.3551 4.3626 4.3626 4.5941 4.5941 4.5986 4.5986 4.8411 4.8411 4.8460 4.8460 5.7181 5.7181 5.7285 5.7285 5.9818 5.9818 5.9874 5.9874 6.9939 6.9939 6.9965 6.9965 8.9996 8.9996 9.0086 9.0086 9.5726 9.5726 9.5730 9.5730 9.8401 9.8401 9.8458 9.8458 k = 0.4778 0.3272 0.5965 ( 10870 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2102 -7.2102 -7.2098 -7.2098 -5.6629 -5.6629 -5.6434 -5.6434 -5.3140 -5.3140 -5.2579 -5.2579 -4.9536 -4.9536 -4.9164 -4.9164 -4.6462 -4.6462 -4.6206 -4.6206 -4.5180 -4.5180 -4.4916 -4.4916 3.2095 3.2095 3.2150 3.2150 3.6499 3.6499 3.6668 3.6668 3.9243 3.9243 3.9357 3.9357 4.3375 4.3375 4.3520 4.3520 4.6034 4.6034 4.6127 4.6127 4.8388 4.8388 4.8486 4.8486 5.7113 5.7113 5.7320 5.7320 5.9834 5.9834 5.9947 5.9947 6.9783 6.9783 6.9837 6.9837 9.0011 9.0011 9.0190 9.0190 9.5714 9.5714 9.5726 9.5726 9.8387 9.8387 9.8499 9.8499 k = 0.4667 0.3464 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2104 -7.2104 -7.2098 -7.2098 -5.6669 -5.6669 -5.6375 -5.6375 -5.3307 -5.3307 -5.2484 -5.2484 -4.9566 -4.9566 -4.9026 -4.9026 -4.6542 -4.6542 -4.6164 -4.6164 -4.5246 -4.5246 -4.4856 -4.4856 3.2124 3.2124 3.2205 3.2205 3.6450 3.6450 3.6703 3.6703 3.9230 3.9230 3.9399 3.9399 4.3135 4.3135 4.3345 4.3345 4.6174 4.6174 4.6319 4.6319 4.8365 4.8365 4.8513 4.8513 5.7035 5.7035 5.7346 5.7346 5.9876 5.9876 6.0050 6.0050 6.9536 6.9536 6.9623 6.9623 9.0061 9.0061 9.0328 9.0328 9.5698 9.5698 9.5723 9.5723 9.8383 9.8383 9.8545 9.8545 k = 0.4556 0.3657 0.5965 ( 10866 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2106 -7.2106 -7.2099 -7.2099 -5.6706 -5.6706 -5.6314 -5.6314 -5.3478 -5.3478 -5.2411 -5.2411 -4.9565 -4.9565 -4.8877 -4.8877 -4.6628 -4.6628 -4.6133 -4.6133 -4.5310 -4.5310 -4.4799 -4.4799 3.2166 3.2166 3.2274 3.2274 3.6402 3.6402 3.6737 3.6737 3.9223 3.9223 3.9446 3.9446 4.2854 4.2854 4.3126 4.3126 4.6339 4.6339 4.6539 4.6539 4.8342 4.8342 4.8541 4.8541 5.6954 5.6954 5.7368 5.7368 5.9940 5.9940 6.0179 6.0179 6.9206 6.9206 6.9333 6.9333 9.0138 9.0138 9.0493 9.0493 9.5680 9.5680 9.5725 9.5725 9.8385 9.8385 9.8593 9.8593 k = 0.4444 0.3849 0.5965 ( 10846 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2109 -7.2109 -7.2099 -7.2099 -5.6739 -5.6739 -5.6248 -5.6248 -5.3650 -5.3650 -5.2361 -5.2361 -4.9536 -4.9536 -4.8722 -4.8722 -4.6718 -4.6718 -4.6116 -4.6116 -4.5368 -4.5368 -4.4747 -4.4747 3.2218 3.2218 3.2354 3.2354 3.6358 3.6358 3.6772 3.6772 3.9223 3.9223 3.9497 3.9497 4.2549 4.2549 4.2881 4.2881 4.6512 4.6512 4.6767 4.6767 4.8318 4.8318 4.8570 4.8570 5.6871 5.6871 5.7389 5.7389 6.0022 6.0022 6.0332 6.0332 6.8805 6.8805 6.8980 6.8980 9.0233 9.0233 9.0676 9.0676 9.5665 9.5665 9.5738 9.5738 9.8392 9.8392 9.8640 9.8640 k = 0.4333 0.4041 0.5965 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2111 -7.2111 -7.2101 -7.2101 -5.6769 -5.6769 -5.6179 -5.6179 -5.3821 -5.3821 -5.2333 -5.2333 -4.9480 -4.9480 -4.8563 -4.8563 -4.6811 -4.6811 -4.6115 -4.6115 -4.5418 -4.5418 -4.4698 -4.4698 3.2278 3.2278 3.2440 3.2440 3.6319 3.6319 3.6814 3.6814 3.9229 3.9229 3.9553 3.9553 4.2232 4.2232 4.2621 4.2621 4.6683 4.6683 4.6990 4.6990 4.8294 4.8294 4.8600 4.8600 5.6793 5.6793 5.7413 5.7413 6.0117 6.0117 6.0507 6.0507 6.8344 6.8344 6.8578 6.8578 9.0337 9.0337 9.0865 9.0865 9.5659 9.5659 9.5766 9.5766 9.8400 9.8400 9.8683 9.8683 k = 0.4222 0.4234 0.5965 ( 10850 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2114 -7.2114 -7.2102 -7.2102 -5.6796 -5.6796 -5.6106 -5.6106 -5.3989 -5.3989 -5.2322 -5.2322 -4.9402 -4.9402 -4.8404 -4.8404 -4.6906 -4.6906 -4.6130 -4.6130 -4.5456 -4.5456 -4.4654 -4.4654 3.2341 3.2341 3.2528 3.2528 3.6290 3.6290 3.6865 3.6865 3.9241 3.9241 3.9614 3.9614 4.1910 4.1910 4.2356 4.2356 4.6844 4.6844 4.7200 4.7200 4.8270 4.8270 4.8631 4.8632 5.6723 5.6723 5.7442 5.7442 6.0219 6.0219 6.0699 6.0699 6.7839 6.7839 6.8145 6.8145 9.0442 9.0442 9.1050 9.1050 9.5666 9.5666 9.5811 9.5811 9.8408 9.8408 9.8720 9.8720 k = 0.4111 0.4426 0.5965 ( 10852 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2117 -7.2117 -7.2104 -7.2104 -5.6820 -5.6820 -5.6030 -5.6030 -5.4151 -5.4151 -5.2325 -5.2325 -4.9308 -4.9308 -4.8247 -4.8247 -4.7002 -4.7002 -4.6161 -4.6161 -4.5484 -4.5484 -4.4614 -4.4614 3.2403 3.2403 3.2613 3.2613 3.6273 3.6273 3.6930 3.6930 3.9256 3.9256 3.9679 3.9679 4.1590 4.1590 4.2092 4.2092 4.6990 4.6990 4.7391 4.7391 4.8245 4.8245 4.8663 4.8663 5.6664 5.6664 5.7479 5.7479 6.0324 6.0324 6.0905 6.0905 6.7304 6.7304 6.7698 6.7698 9.0540 9.0540 9.1222 9.1222 9.5690 9.5690 9.5875 9.5875 9.8414 9.8414 9.8751 9.8751 k = 0.4000 0.4619 0.5965 ( 10842 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2120 -7.2120 -7.2106 -7.2106 -5.6840 -5.6840 -5.5951 -5.5951 -5.4308 -5.4308 -5.2338 -5.2338 -4.9205 -4.9205 -4.8098 -4.8098 -4.7097 -4.7097 -4.6205 -4.6205 -4.5501 -4.5501 -4.4578 -4.4578 3.2459 3.2459 3.2691 3.2691 3.6269 3.6269 3.7012 3.7012 3.9274 3.9274 3.9749 3.9749 4.1278 4.1278 4.1836 4.1836 4.7119 4.7119 4.7557 4.7557 4.8220 4.8220 4.8695 4.8695 5.6619 5.6619 5.7524 5.7524 6.0424 6.0424 6.1122 6.1122 6.6756 6.6756 6.7257 6.7257 9.0625 9.0625 9.1373 9.1373 9.5731 9.5731 9.5954 9.5954 9.8417 9.8417 9.8776 9.8776 k = 0.3889 0.4811 0.5965 ( 10850 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2123 -7.2123 -7.2108 -7.2108 -5.6857 -5.6857 -5.5871 -5.5871 -5.4455 -5.4455 -5.2355 -5.2355 -4.9100 -4.9100 -4.7959 -4.7959 -4.7187 -4.7187 -4.6257 -4.6257 -4.5509 -4.5509 -4.4548 -4.4548 3.2507 3.2507 3.2757 3.2757 3.6280 3.6280 3.7113 3.7113 3.9293 3.9293 3.9823 3.9823 4.0980 4.0980 4.1591 4.1591 4.7229 4.7229 4.7697 4.7697 4.8197 4.8197 4.8726 4.8726 5.6587 5.6587 5.7576 5.7576 6.0513 6.0513 6.1344 6.1344 6.6215 6.6215 6.6842 6.6842 9.0695 9.0695 9.1498 9.1498 9.5788 9.5788 9.6044 9.6044 9.8419 9.8419 9.8795 9.8795 k = 0.3778 0.5004 0.5965 ( 10852 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2126 -7.2126 -7.2110 -7.2110 -5.6871 -5.6871 -5.5791 -5.5791 -5.4591 -5.4591 -5.2373 -5.2373 -4.9000 -4.9000 -4.7835 -4.7835 -4.7270 -4.7270 -4.6312 -4.6312 -4.5513 -4.5513 -4.4522 -4.4522 3.2543 3.2543 3.2809 3.2809 3.6302 3.6302 3.7231 3.7231 3.9310 3.9310 3.9901 3.9901 4.0704 4.0704 4.1364 4.1364 4.7319 4.7319 4.7809 4.7809 4.8176 4.8176 4.8754 4.8754 5.6567 5.6567 5.7631 5.7631 6.0584 6.0584 6.1561 6.1561 6.5703 6.5703 6.6473 6.6473 9.0749 9.0749 9.1596 9.1596 9.5854 9.5854 9.6138 9.6138 9.8420 9.8420 9.8812 9.8812 k = 0.3667 0.5196 0.5965 ( 10850 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2128 -7.2128 -7.2111 -7.2111 -5.6882 -5.6882 -5.5714 -5.5714 -5.4712 -5.4712 -5.2391 -5.2391 -4.8911 -4.8911 -4.7731 -4.7731 -4.7342 -4.7342 -4.6362 -4.6362 -4.5514 -4.5514 -4.4501 -4.4501 3.2568 3.2568 3.2845 3.2845 3.6333 3.6333 3.7357 3.7357 3.9321 3.9321 3.9980 3.9980 4.0462 4.0462 4.1161 4.1161 4.7387 4.7387 4.7894 4.7894 4.8158 4.8158 4.8779 4.8779 5.6559 5.6559 5.7685 5.7685 6.0632 6.0632 6.1760 6.1760 6.5248 6.5248 6.6170 6.6170 9.0787 9.0787 9.1666 9.1666 9.5922 9.5922 9.6225 9.6225 9.8423 9.8423 9.8827 9.8827 k = 0.3556 0.5389 0.5965 ( 10852 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2130 -7.2130 -7.2112 -7.2112 -5.6890 -5.6890 -5.5646 -5.5646 -5.4812 -5.4812 -5.2405 -5.2405 -4.8842 -4.8842 -4.7653 -4.7653 -4.7398 -4.7398 -4.6403 -4.6403 -4.5513 -4.5513 -4.4486 -4.4486 3.2582 3.2582 3.2868 3.2868 3.6366 3.6366 3.7478 3.7478 3.9326 3.9326 4.0056 4.0056 4.0268 4.0268 4.0993 4.0993 4.7435 4.7435 4.7953 4.7953 4.8146 4.8146 4.8799 4.8799 5.6557 5.6557 5.7732 5.7732 6.0656 6.0656 6.1922 6.1922 6.4884 6.4884 6.5947 6.5947 9.0811 9.0811 9.1711 9.1711 9.5981 9.5981 9.6297 9.6297 9.8428 9.8428 9.8841 9.8841 k = 0.3444 0.5581 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2113 -7.2113 -5.6895 -5.6895 -5.5597 -5.5597 -5.4880 -5.4880 -5.2414 -5.2414 -4.8798 -4.8798 -4.7604 -4.7604 -4.7433 -4.7433 -4.6428 -4.6428 -4.5512 -4.5512 -4.4477 -4.4477 3.2588 3.2588 3.2878 3.2878 3.6391 3.6391 3.7570 3.7570 3.9323 3.9323 4.0117 4.0117 4.0142 4.0142 4.0875 4.0875 4.7462 4.7462 4.7988 4.7988 4.8139 4.8139 4.8812 4.8812 5.6558 5.6558 5.7766 5.7766 6.0662 6.0662 6.2024 6.2024 6.4651 6.4651 6.5814 6.5814 9.0824 9.0824 9.1736 9.1736 9.6022 9.6022 9.6344 9.6344 9.8434 9.8434 9.8853 9.8853 k = 0.3333 0.5774 0.5965 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2114 -7.2114 -5.6896 -5.6896 -5.5579 -5.5579 -5.4905 -5.4905 -5.2418 -5.2418 -4.8783 -4.8783 -4.7589 -4.7589 -4.7445 -4.7445 -4.6436 -4.6436 -4.5511 -4.5511 -4.4473 -4.4473 3.2589 3.2589 3.2881 3.2881 3.6401 3.6401 3.7607 3.7607 3.9320 3.9320 4.0098 4.0098 4.0142 4.0142 4.0830 4.0830 4.7470 4.7470 4.7999 4.7999 4.8137 4.8137 4.8817 4.8817 5.6559 5.6559 5.7778 5.7778 6.0660 6.0660 6.2055 6.2055 6.4572 6.4572 6.5770 6.5770 9.0828 9.0828 9.1743 9.1743 9.6037 9.6037 9.6360 9.6360 9.8437 9.8437 9.8858 9.8858 k = 0.3333 0.5774 0.5965 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2114 -7.2114 -5.6896 -5.6896 -5.5579 -5.5579 -5.4905 -5.4905 -5.2418 -5.2418 -4.8783 -4.8783 -4.7589 -4.7589 -4.7445 -4.7445 -4.6436 -4.6436 -4.5511 -4.5511 -4.4473 -4.4473 3.2589 3.2589 3.2881 3.2881 3.6401 3.6401 3.7607 3.7607 3.9320 3.9320 4.0098 4.0098 4.0142 4.0142 4.0830 4.0830 4.7470 4.7470 4.7999 4.7999 4.8137 4.8137 4.8817 4.8817 5.6559 5.6559 5.7778 5.7778 6.0660 6.0660 6.2055 6.2055 6.4572 6.4572 6.5770 6.5770 9.0828 9.0828 9.1743 9.1743 9.6037 9.6037 9.6360 9.6360 9.8437 9.8437 9.8858 9.8858 k = 0.3222 0.5581 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2113 -7.2113 -5.6895 -5.6895 -5.5597 -5.5597 -5.4880 -5.4880 -5.2414 -5.2414 -4.8797 -4.8797 -4.7603 -4.7603 -4.7434 -4.7434 -4.6429 -4.6429 -4.5512 -4.5512 -4.4477 -4.4477 3.2589 3.2589 3.2880 3.2880 3.6389 3.6389 3.7567 3.7567 3.9324 3.9324 4.0118 4.0118 4.0143 4.0143 4.0874 4.0874 4.7462 4.7462 4.7988 4.7988 4.8139 4.8139 4.8812 4.8812 5.6558 5.6558 5.7765 5.7765 6.0668 6.0668 6.2036 6.2036 6.4642 6.4642 6.5810 6.5810 9.0825 9.0825 9.1737 9.1737 9.6021 9.6021 9.6343 9.6343 9.8431 9.8431 9.8850 9.8850 k = 0.3111 0.5389 0.5965 ( 10852 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2130 -7.2130 -7.2112 -7.2112 -5.6890 -5.6890 -5.5643 -5.5643 -5.4815 -5.4815 -5.2404 -5.2404 -4.8836 -4.8836 -4.7643 -4.7643 -4.7404 -4.7404 -4.6412 -4.6412 -4.5514 -4.5514 -4.4487 -4.4487 3.2593 3.2593 3.2879 3.2879 3.6349 3.6349 3.7451 3.7451 3.9329 3.9329 4.0057 4.0057 4.0272 4.0272 4.0990 4.0990 4.7440 4.7440 4.7955 4.7955 4.8142 4.8142 4.8797 4.8797 5.6560 5.6560 5.7725 5.7725 6.0701 6.0701 6.2009 6.2009 6.4825 6.4825 6.5922 6.5922 9.0817 9.0817 9.1721 9.1721 9.5974 9.5974 9.6292 9.6292 9.8406 9.8406 9.8818 9.8818 k = 0.3000 0.5196 0.5965 ( 10832 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2127 -7.2127 -7.2110 -7.2110 -5.6882 -5.6882 -5.5705 -5.5705 -5.4721 -5.4721 -5.2386 -5.2386 -4.8895 -4.8895 -4.7702 -4.7702 -4.7362 -4.7362 -4.6390 -4.6390 -4.5519 -4.5519 -4.4506 -4.4506 3.2603 3.2603 3.2884 3.2884 3.6278 3.6278 3.7276 3.7276 3.9327 3.9327 3.9980 3.9980 4.0473 4.0473 4.1153 4.1153 4.7404 4.7404 4.7900 4.7900 4.8146 4.8146 4.8773 4.8773 5.6570 5.6570 5.7666 5.7666 6.0773 6.0773 6.2012 6.2012 6.5084 6.5084 6.6093 6.6093 9.0806 9.0806 9.1696 9.1696 9.5896 9.5896 9.6209 9.6209 9.8351 9.8351 9.8754 9.8754 k = 0.2889 0.5004 0.5965 ( 10840 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2124 -7.2124 -7.2107 -7.2107 -5.6872 -5.6872 -5.5773 -5.5773 -5.4609 -5.4609 -5.2362 -5.2362 -4.8966 -4.8966 -4.7773 -4.7773 -4.7314 -4.7314 -4.6369 -4.6369 -4.5526 -4.5526 -4.4532 -4.4532 3.2624 3.2624 3.2897 3.2897 3.6177 3.6177 3.7060 3.7060 3.9309 3.9309 3.9897 3.9897 4.0725 4.0725 4.1347 4.1347 4.7355 4.7355 4.7824 4.7824 4.8150 4.8150 4.8739 4.8739 5.6601 5.6601 5.7601 5.7601 6.0890 6.0890 6.2068 6.2068 6.5391 6.5391 6.6310 6.6310 9.0793 9.0793 9.1666 9.1666 9.5790 9.5790 9.6095 9.6095 9.8260 9.8260 9.8649 9.8649 k = 0.2778 0.4811 0.5965 ( 10838 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2119 -7.2119 -7.2103 -7.2103 -5.6858 -5.6858 -5.5842 -5.5842 -5.4484 -5.4484 -5.2331 -5.2331 -4.9045 -4.9045 -4.7852 -4.7852 -4.7263 -4.7263 -4.6354 -4.6354 -4.5538 -4.5538 -4.4567 -4.4567 3.2659 3.2659 3.2922 3.2922 3.6049 3.6049 3.6818 3.6818 3.9274 3.9274 3.9807 3.9807 4.1009 4.1009 4.1560 4.1560 4.7294 4.7294 4.7727 4.7727 4.8152 4.8152 4.8696 4.8696 5.6666 5.6666 5.7549 5.7549 6.1056 6.1056 6.2181 6.2181 6.5727 6.5727 6.6562 6.6562 9.0779 9.0779 9.1631 9.1631 9.5659 9.5659 9.5954 9.5954 9.8126 9.8126 9.8500 9.8500 k = 0.2667 0.4619 0.5965 ( 10846 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2114 -7.2114 -7.2099 -7.2099 -5.6842 -5.6842 -5.5909 -5.5909 -5.4349 -5.4349 -5.2295 -5.2295 -4.9126 -4.9126 -4.7936 -4.7936 -4.7214 -4.7214 -4.6346 -4.6346 -4.5553 -4.5553 -4.4612 -4.4612 3.2710 3.2710 3.2963 3.2963 3.5896 3.5896 3.6560 3.6560 3.9222 3.9222 3.9712 3.9712 4.1307 4.1307 4.1784 4.1784 4.7219 4.7219 4.7611 4.7611 4.8152 4.8152 4.8645 4.8645 5.6777 5.6777 5.7528 5.7528 6.1269 6.1269 6.2351 6.2351 6.6081 6.6081 6.6841 6.6841 9.0764 9.0764 9.1593 9.1593 9.5504 9.5504 9.5788 9.5788 9.7949 9.7949 9.8307 9.8307 k = 0.2556 0.4426 0.5965 ( 10850 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2107 -7.2107 -7.2093 -7.2093 -5.6823 -5.6823 -5.5972 -5.5972 -5.4208 -5.4208 -5.2254 -5.2254 -4.9206 -4.9206 -4.8020 -4.8020 -4.7169 -4.7169 -4.6347 -4.6347 -4.5575 -4.5575 -4.4666 -4.4666 3.2779 3.2779 3.3020 3.3020 3.5723 3.5723 3.6290 3.6290 3.9155 3.9155 3.9607 3.9607 4.1609 4.1609 4.2012 4.2012 4.7133 4.7133 4.7479 4.7479 4.8146 4.8146 4.8585 4.8585 5.6944 5.6944 5.7556 5.7556 6.1525 6.1525 6.2571 6.2571 6.6446 6.6446 6.7138 6.7138 9.0750 9.0750 9.1551 9.1551 9.5328 9.5328 9.5597 9.5597 9.7734 9.7734 9.8076 9.8076 k = 0.2444 0.4234 0.5965 ( 10846 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2099 -7.2099 -7.2085 -7.2085 -5.6802 -5.6802 -5.6030 -5.6030 -5.4061 -5.4061 -5.2208 -5.2208 -4.9281 -4.9281 -4.8104 -4.8104 -4.7129 -4.7129 -4.6358 -4.6358 -4.5604 -4.5604 -4.4731 -4.4731 3.2868 3.2868 3.3097 3.3097 3.5532 3.5532 3.6014 3.6014 3.9073 3.9073 3.9493 3.9493 4.1905 4.1905 4.2238 4.2238 4.7036 4.7036 4.7335 4.7335 4.8135 4.8135 4.8519 4.8519 5.7174 5.7174 5.7646 5.7646 6.1822 6.1822 6.2835 6.2835 6.6814 6.6814 6.7447 6.7447 9.0735 9.0735 9.1507 9.1507 9.5132 9.5132 9.5384 9.5384 9.7486 9.7486 9.7813 9.7813 k = 0.2333 0.4041 0.5965 ( 10846 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2089 -7.2089 -7.2077 -7.2077 -5.6778 -5.6778 -5.6082 -5.6082 -5.3910 -5.3910 -5.2160 -5.2160 -4.9349 -4.9349 -4.8184 -4.8184 -4.7096 -4.7096 -4.6378 -4.6378 -4.5640 -4.5640 -4.4806 -4.4806 3.2976 3.2976 3.3194 3.3194 3.5327 3.5327 3.5732 3.5732 3.8978 3.8978 3.9367 3.9367 4.2188 4.2188 4.2457 4.2457 4.6931 4.6931 4.7186 4.7186 4.8117 4.8117 4.8445 4.8445 5.7468 5.7468 5.7807 5.7807 6.2154 6.2154 6.3138 6.3138 6.7182 6.7182 6.7764 6.7764 9.0720 9.0720 9.1460 9.1460 9.4915 9.4915 9.5149 9.5149 9.7214 9.7214 9.7528 9.7528 k = 0.2222 0.3849 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2079 -7.2079 -7.2068 -7.2068 -5.6752 -5.6752 -5.6130 -5.6130 -5.3754 -5.3754 -5.2111 -5.2111 -4.9408 -4.9408 -4.8261 -4.8261 -4.7070 -4.7070 -4.6406 -4.6406 -4.5684 -4.5684 -4.4892 -4.4892 3.3105 3.3105 3.3313 3.3313 3.5110 3.5110 3.5447 3.5447 3.8870 3.8870 3.9231 3.9231 4.2456 4.2456 4.2666 4.2666 4.6822 4.6822 4.7036 4.7036 4.8089 4.8089 4.8364 4.8364 5.7826 5.7826 5.8041 5.8041 6.2520 6.2520 6.3475 6.3475 6.7547 6.7547 6.8082 6.8082 9.0705 9.0705 9.1410 9.1410 9.4681 9.4681 9.4893 9.4893 9.6926 9.6926 9.7230 9.7230 k = 0.2111 0.3657 0.5965 ( 10858 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2068 -7.2068 -7.2058 -7.2058 -5.6725 -5.6725 -5.6172 -5.6172 -5.3596 -5.3596 -5.2061 -5.2061 -4.9456 -4.9456 -4.8333 -4.8333 -4.7051 -4.7051 -4.6444 -4.6444 -4.5738 -4.5738 -4.4988 -4.4988 3.3254 3.3254 3.3452 3.3452 3.4885 3.4885 3.5159 3.5159 3.8752 3.8752 3.9084 3.9084 4.2703 4.2703 4.2861 4.2861 4.6711 4.6711 4.6893 4.6893 4.8051 4.8051 4.8276 4.8276 5.8244 5.8244 5.8349 5.8349 6.2915 6.2915 6.3843 6.3843 6.7905 6.7905 6.8400 6.8400 9.0689 9.0689 9.1358 9.1358 9.4429 9.4429 9.4617 9.4617 9.6631 9.6631 9.6927 9.6927 k = 0.2000 0.3464 0.5965 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2056 -7.2056 -7.2047 -7.2047 -5.6696 -5.6696 -5.6209 -5.6209 -5.3436 -5.3436 -5.2011 -5.2011 -4.9490 -4.9490 -4.8399 -4.8399 -4.7039 -4.7039 -4.6490 -4.6490 -4.5800 -4.5800 -4.5095 -4.5095 3.3419 3.3419 3.3611 3.3611 3.4654 3.4654 3.4870 3.4870 3.8627 3.8627 3.8929 3.8929 4.2930 4.2930 4.3042 4.3042 4.6604 4.6604 4.6761 4.6761 4.8002 4.8002 4.8181 4.8181 5.8717 5.8717 5.8728 5.8728 6.3338 6.3338 6.4237 6.4237 6.8254 6.8254 6.8714 6.8714 9.0673 9.0673 9.1302 9.1302 9.4162 9.4162 9.4325 9.4325 9.6335 9.6335 9.6624 9.6624 k = 0.1889 0.3272 0.5965 ( 10848 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2043 -7.2043 -7.2035 -7.2035 -5.6666 -5.6666 -5.6242 -5.6242 -5.3274 -5.3274 -5.1963 -5.1963 -4.9509 -4.9509 -4.8458 -4.8458 -4.7035 -4.7035 -4.6543 -4.6543 -4.5871 -4.5871 -4.5212 -4.5212 3.3596 3.3596 3.3790 3.3790 3.4426 3.4426 3.4581 3.4581 3.8495 3.8495 3.8769 3.8769 4.3135 4.3135 4.3206 4.3206 4.6503 4.6503 4.6643 4.6643 4.7941 4.7941 4.8078 4.8078 5.9172 5.9172 5.9239 5.9239 6.3786 6.3786 6.4654 6.4654 6.8592 6.8592 6.9021 6.9021 9.0655 9.0655 9.1242 9.1242 9.3885 9.3885 9.4020 9.4020 9.6040 9.6040 9.6324 9.6324 k = 0.1778 0.3079 0.5965 ( 10836 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2029 -7.2029 -7.2022 -7.2022 -5.6635 -5.6635 -5.6269 -5.6269 -5.3112 -5.3112 -5.1918 -5.1918 -4.9513 -4.9513 -4.8511 -4.8511 -4.7037 -4.7037 -4.6603 -4.6603 -4.5950 -4.5950 -4.5339 -4.5339 3.3756 3.3756 3.3985 3.3985 3.4227 3.4227 3.4295 3.4295 3.8360 3.8360 3.8605 3.8605 4.3317 4.3317 4.3354 4.3354 4.6411 4.6411 4.6541 4.6541 4.7870 4.7870 4.7970 4.7970 5.9672 5.9672 5.9801 5.9801 6.4256 6.4256 6.5091 6.5091 6.8917 6.8917 6.9318 6.9318 9.0636 9.0636 9.1178 9.1178 9.3602 9.3602 9.3708 9.3708 9.5748 9.5748 9.6028 9.6028 k = 0.1667 0.2887 0.5965 ( 10856 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2015 -7.2015 -7.2009 -7.2009 -5.6604 -5.6604 -5.6292 -5.6292 -5.2949 -5.2949 -5.1875 -5.1875 -4.9501 -4.9501 -4.8555 -4.8555 -4.7045 -4.7045 -4.6669 -4.6669 -4.6037 -4.6037 -4.5476 -4.5476 3.3762 3.3762 3.3998 3.3998 3.4195 3.4195 3.4211 3.4211 3.8224 3.8224 3.8440 3.8440 4.3478 4.3478 4.3486 4.3486 4.6331 4.6331 4.6456 4.6456 4.7788 4.7788 4.7855 4.7855 6.0221 6.0221 6.0396 6.0396 6.4745 6.4745 6.5546 6.5546 6.9229 6.9229 6.9605 6.9605 9.0614 9.0614 9.1109 9.1109 9.3319 9.3319 9.3396 9.3396 9.5458 9.5458 9.5733 9.5733 k = 0.1556 0.2694 0.5965 ( 10870 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2001 -7.2001 -7.1995 -7.1995 -5.6573 -5.6573 -5.6311 -5.6311 -5.2788 -5.2788 -5.1836 -5.1836 -4.9472 -4.9472 -4.8592 -4.8592 -4.7060 -4.7060 -4.6741 -4.6741 -4.6130 -4.6130 -4.5620 -4.5620 3.3575 3.3575 3.3721 3.3721 3.4369 3.4369 3.4435 3.4435 3.8089 3.8089 3.8278 3.8278 4.3603 4.3603 4.3618 4.3618 4.6263 4.6263 4.6388 4.6388 4.7697 4.7697 4.7734 4.7734 6.0809 6.0809 6.1016 6.1016 6.5251 6.5251 6.6012 6.6012 6.9527 6.9527 6.9880 6.9880 9.0589 9.0589 9.1032 9.1032 9.3044 9.3044 9.3090 9.3090 9.5168 9.5168 9.5437 9.5437 k = 0.1444 0.2502 0.5965 ( 10882 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1986 -7.1986 -7.1982 -7.1982 -5.6542 -5.6542 -5.6326 -5.6326 -5.2629 -5.2629 -5.1798 -5.1798 -4.9428 -4.9428 -4.8620 -4.8620 -4.7080 -4.7080 -4.6818 -4.6818 -4.6229 -4.6229 -4.5772 -4.5772 3.3342 3.3342 3.3446 3.3446 3.4602 3.4602 3.4674 3.4674 3.7958 3.7958 3.8121 3.8121 4.3706 4.3706 4.3738 4.3738 4.6209 4.6209 4.6335 4.6335 4.7597 4.7597 4.7610 4.7610 6.1426 6.1426 6.1651 6.1651 6.5770 6.5770 6.6488 6.6488 6.9810 6.9810 7.0141 7.0141 9.0558 9.0558 9.0947 9.0947 9.2783 9.2783 9.2797 9.2797 9.4875 9.4875 9.5137 9.5137 k = 0.1333 0.2309 0.5965 ( 10878 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1971 -7.1971 -7.1968 -7.1968 -5.6513 -5.6513 -5.6338 -5.6338 -5.2473 -5.2473 -5.1763 -5.1763 -4.9370 -4.9370 -4.8640 -4.8640 -4.7105 -4.7105 -4.6898 -4.6898 -4.6333 -4.6333 -4.5931 -4.5931 3.3103 3.3103 3.3179 3.3179 3.4853 3.4853 3.4923 3.4923 3.7832 3.7832 3.7971 3.7971 4.3795 4.3795 4.3840 4.3840 4.6167 4.6167 4.6295 4.6295 4.7482 4.7482 4.7490 4.7490 6.2062 6.2062 6.2293 6.2293 6.6296 6.6296 6.6966 6.6966 7.0078 7.0078 7.0389 7.0389 9.0520 9.0520 9.0851 9.0851 9.2523 9.2523 9.2543 9.2543 9.4576 9.4576 9.4830 9.4830 k = 0.1222 0.2117 0.5965 ( 10900 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1957 -7.1957 -7.1954 -7.1954 -5.6485 -5.6485 -5.6346 -5.6346 -5.2322 -5.2322 -5.1728 -5.1728 -4.9299 -4.9299 -4.8652 -4.8652 -4.7134 -4.7134 -4.6980 -4.6980 -4.6440 -4.6440 -4.6094 -4.6094 3.2867 3.2867 3.2922 3.2922 3.5112 3.5112 3.5177 3.5177 3.7712 3.7712 3.7830 3.7830 4.3873 4.3873 4.3925 4.3925 4.6136 4.6136 4.6265 4.6265 4.7353 4.7353 4.7378 4.7378 6.2707 6.2707 6.2933 6.2933 6.6826 6.6826 6.7441 6.7441 7.0333 7.0333 7.0622 7.0622 9.0472 9.0472 9.0743 9.0743 9.2276 9.2276 9.2330 9.2330 9.4269 9.4269 9.4514 9.4514 k = 0.1111 0.1925 0.5965 ( 10900 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1943 -7.1943 -7.1941 -7.1941 -5.6459 -5.6459 -5.6352 -5.6352 -5.2176 -5.2176 -5.1693 -5.1693 -4.9216 -4.9216 -4.8656 -4.8656 -4.7168 -4.7168 -4.7063 -4.7063 -4.6550 -4.6550 -4.6261 -4.6261 3.2638 3.2638 3.2678 3.2678 3.5374 3.5374 3.5433 3.5433 3.7601 3.7601 3.7699 3.7699 4.3941 4.3941 4.3994 4.3994 4.6116 4.6116 4.6242 4.6242 4.7225 4.7225 4.7263 4.7263 6.3352 6.3352 6.3563 6.3563 6.7352 6.7352 6.7905 6.7905 7.0576 7.0576 7.0841 7.0841 9.0410 9.0410 9.0622 9.0622 9.2062 9.2062 9.2146 9.2146 9.3955 9.3955 9.4187 9.4187 k = 0.1000 0.1732 0.5965 ( 10896 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1930 -7.1930 -7.1928 -7.1928 -5.6435 -5.6435 -5.6355 -5.6355 -5.2038 -5.2038 -5.1658 -5.1658 -4.9125 -4.9125 -4.8651 -4.8651 -4.7204 -4.7204 -4.7145 -4.7145 -4.6662 -4.6662 -4.6429 -4.6429 3.2422 3.2422 3.2449 3.2449 3.5633 3.5633 3.5686 3.5686 3.7498 3.7498 3.7580 3.7580 4.4000 4.4000 4.4050 4.4050 4.6104 4.6104 4.6224 4.6224 4.7100 4.7100 4.7147 4.7147 6.3984 6.3984 6.4172 6.4172 6.7867 6.7867 6.8351 6.8351 7.0809 7.0809 7.1046 7.1046 9.0334 9.0334 9.0491 9.0491 9.1883 9.1883 9.1994 9.1994 9.3633 9.3633 9.3850 9.3850 k = 0.0889 0.1540 0.5965 ( 10890 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1917 -7.1917 -7.1916 -7.1916 -5.6414 -5.6414 -5.6356 -5.6356 -5.1908 -5.1908 -5.1622 -5.1622 -4.9026 -4.9026 -4.8639 -4.8639 -4.7243 -4.7243 -4.7224 -4.7224 -4.6775 -4.6775 -4.6597 -4.6597 3.2219 3.2219 3.2238 3.2238 3.5885 3.5885 3.5932 3.5932 3.7406 3.7406 3.7472 3.7472 4.4049 4.4049 4.4094 4.4094 4.6099 4.6099 4.6208 4.6208 4.6982 4.6982 4.7033 4.7033 6.4594 6.4594 6.4754 6.4754 6.8360 6.8360 6.8767 6.8767 7.1034 7.1034 7.1239 7.1239 9.0243 9.0243 9.0353 9.0353 9.1742 9.1742 9.1869 9.1869 9.3308 9.3308 9.3507 9.3507 k = 0.0778 0.1347 0.5965 ( 10890 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1906 -7.1906 -7.1905 -7.1905 -5.6395 -5.6395 -5.6356 -5.6356 -5.1790 -5.1790 -5.1584 -5.1584 -4.8922 -4.8922 -4.8618 -4.8618 -4.7297 -4.7297 -4.7284 -4.7284 -4.6888 -4.6888 -4.6762 -4.6762 3.2034 3.2034 3.2046 3.2046 3.6125 3.6125 3.6165 3.6165 3.7323 3.7323 3.7377 3.7377 4.4091 4.4091 4.4127 4.4127 4.6098 4.6098 4.6192 4.6192 4.6874 4.6874 4.6923 4.6923 6.5171 6.5171 6.5298 6.5298 6.8820 6.8820 6.9145 6.9145 7.1254 7.1254 7.1422 7.1422 9.0140 9.0140 9.0213 9.0213 9.1636 9.1636 9.1768 9.1768 9.2987 9.2987 9.3164 9.3164 k = 0.0667 0.1155 0.5965 ( 10890 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1895 -7.1895 -7.1895 -7.1895 -5.6379 -5.6379 -5.6354 -5.6354 -5.1684 -5.1684 -5.1546 -5.1546 -4.8816 -4.8816 -4.8590 -4.8590 -4.7363 -4.7363 -4.7327 -4.7327 -4.6999 -4.6999 -4.6922 -4.6922 3.1868 3.1868 3.1875 3.1875 3.6348 3.6348 3.6382 3.6382 3.7252 3.7252 3.7294 3.7294 4.4125 4.4125 4.4151 4.4151 4.6099 4.6099 4.6174 4.6174 4.6777 4.6777 4.6821 4.6821 6.5702 6.5702 6.5796 6.5796 6.9235 6.9235 6.9476 6.9476 7.1469 7.1469 7.1596 7.1596 9.0032 9.0032 9.0077 9.0077 9.1558 9.1558 9.1683 9.1683 9.2679 9.2679 9.2831 9.2831 k = 0.0556 0.0962 0.5965 ( 10878 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1886 -7.1886 -7.1886 -7.1886 -5.6366 -5.6366 -5.6351 -5.6351 -5.1593 -5.1593 -5.1509 -5.1509 -4.8710 -4.8710 -4.8555 -4.8555 -4.7420 -4.7420 -4.7370 -4.7370 -4.7107 -4.7107 -4.7071 -4.7071 3.1724 3.1724 3.1728 3.1728 3.6548 3.6548 3.6576 3.6576 3.7191 3.7191 3.7225 3.7225 4.4151 4.4151 4.4168 4.4168 4.6102 4.6102 4.6156 4.6156 4.6696 4.6696 4.6730 4.6730 6.6176 6.6176 6.6239 6.6239 6.9592 6.9592 6.9753 6.9753 7.1677 7.1677 7.1763 7.1763 8.9925 8.9925 8.9951 8.9951 9.1502 9.1502 9.1609 9.1609 9.2399 9.2399 9.2521 9.2521 k = 0.0444 0.0770 0.5965 ( 10874 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1879 -7.1879 -7.1879 -7.1879 -5.6356 -5.6356 -5.6348 -5.6348 -5.1518 -5.1518 -5.1473 -5.1473 -4.8609 -4.8609 -4.8514 -4.8514 -4.7467 -4.7467 -4.7415 -4.7415 -4.7209 -4.7209 -4.7204 -4.7204 3.1604 3.1604 3.1606 3.1606 3.6720 3.6720 3.6742 3.6742 3.7143 3.7143 3.7168 3.7168 4.4169 4.4169 4.4180 4.4180 4.6103 4.6103 4.6137 4.6137 4.6631 4.6631 4.6653 4.6653 6.6582 6.6582 6.6619 6.6619 6.9882 6.9882 6.9975 6.9975 7.1871 7.1871 7.1920 7.1920 8.9826 8.9826 8.9839 8.9839 9.1458 9.1458 9.1537 9.1537 9.2162 9.2162 9.2248 9.2248 k = 0.0333 0.0577 0.5965 ( 10882 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1873 -7.1873 -7.1873 -7.1873 -5.6349 -5.6349 -5.6345 -5.6345 -5.1461 -5.1461 -5.1441 -5.1441 -4.8517 -4.8517 -4.8468 -4.8468 -4.7506 -4.7506 -4.7465 -4.7465 -4.7310 -4.7310 -4.7300 -4.7300 3.1508 3.1508 3.1509 3.1509 3.6859 3.6859 3.6876 3.6876 3.7107 3.7107 3.7124 3.7124 4.4182 4.4182 4.4187 4.4187 4.6103 4.6103 4.6119 4.6119 4.6581 4.6581 4.6592 4.6592 6.6910 6.6910 6.6927 6.6927 7.0100 7.0100 7.0143 7.0143 7.2039 7.2039 7.2061 7.2061 8.9741 8.9741 8.9747 8.9747 9.1418 9.1418 9.1463 9.1463 9.1983 9.1983 9.2031 9.2031 k = 0.0222 0.0385 0.5965 ( 10890 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1869 -7.1869 -7.1869 -7.1869 -5.6344 -5.6344 -5.6343 -5.6343 -5.1421 -5.1421 -5.1415 -5.1415 -4.8441 -4.8441 -4.8424 -4.8424 -4.7538 -4.7538 -4.7518 -4.7518 -4.7380 -4.7380 -4.7372 -4.7372 3.1439 3.1439 3.1440 3.1440 3.6960 3.6960 3.6970 3.6970 3.7085 3.7085 3.7095 3.7095 4.4190 4.4190 4.4191 4.4191 4.6100 4.6100 4.6105 4.6105 4.6546 4.6546 4.6550 4.6550 6.7149 6.7149 6.7155 6.7155 7.0248 7.0248 7.0261 7.0261 7.2169 7.2169 7.2176 7.2176 8.9676 8.9676 8.9677 8.9677 9.1375 9.1375 9.1391 9.1391 9.1865 9.1865 9.1882 9.1882 k = 0.0111 0.0192 0.5965 ( 10882 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1866 -7.1866 -7.1866 -7.1866 -5.6341 -5.6341 -5.6341 -5.6341 -5.1398 -5.1398 -5.1397 -5.1397 -4.8392 -4.8392 -4.8389 -4.8389 -4.7565 -4.7565 -4.7561 -4.7561 -4.7418 -4.7418 -4.7416 -4.7416 3.1398 3.1398 3.1398 3.1398 3.7013 3.7013 3.7016 3.7016 3.7084 3.7084 3.7087 3.7087 4.4193 4.4193 4.4193 4.4193 4.6096 4.6096 4.6097 4.6097 4.6525 4.6525 4.6525 4.6525 6.7295 6.7295 6.7296 6.7296 7.0331 7.0331 7.0333 7.0333 7.2252 7.2252 7.2253 7.2253 8.9634 8.9634 8.9634 8.9634 9.1336 9.1336 9.1339 9.1339 9.1801 9.1801 9.1803 9.1803 k = 0.0000 0.0000 0.5965 ( 10850 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.1865 -7.1865 -7.1865 -7.1865 -5.6340 -5.6340 -5.6340 -5.6340 -5.1391 -5.1391 -5.1391 -5.1391 -4.8375 -4.8375 -4.8375 -4.8375 -4.7577 -4.7577 -4.7577 -4.7577 -4.7430 -4.7430 -4.7430 -4.7430 3.1384 3.1384 3.1384 3.1384 3.7025 3.7025 3.7025 3.7025 3.7090 3.7090 3.7090 3.7090 4.4194 4.4194 4.4194 4.4194 4.6095 4.6095 4.6095 4.6095 4.6518 4.6518 4.6518 4.6518 6.7344 6.7344 6.7344 6.7344 7.0357 7.0357 7.0357 7.0357 7.2280 7.2280 7.2280 7.2280 8.9619 8.9619 8.9619 8.9619 9.1320 9.1320 9.1320 9.1320 9.1780 9.1780 9.1780 9.1780 k = 0.5000 0.2887 0.5965 ( 10868 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2099 -7.2099 -7.2099 -7.2099 -5.6539 -5.6539 -5.6539 -5.6539 -5.2831 -5.2831 -5.2831 -5.2831 -4.9394 -4.9394 -4.9394 -4.9394 -4.6319 -4.6319 -4.6319 -4.6319 -4.5045 -4.5045 -4.5045 -4.5045 3.2088 3.2088 3.2088 3.2088 3.6591 3.6591 3.6591 3.6591 3.9288 3.9288 3.9288 3.9288 4.3639 4.3639 4.3639 4.3639 4.5921 4.5921 4.5921 4.5921 4.8435 4.8435 4.8435 4.8435 5.7239 5.7239 5.7239 5.7239 5.9830 5.9830 5.9830 5.9830 7.0000 7.0000 7.0000 7.0000 9.0020 9.0020 9.0020 9.0020 9.5731 9.5731 9.5731 9.5731 9.8425 9.8425 9.8425 9.8425 k = 0.5000 0.2887 0.5744 ( 10864 PWs) bands (ev): -20.5524 -20.5524 -20.5522 -20.5522 -7.2102 -7.2102 -7.2095 -7.2095 -5.6663 -5.6663 -5.6418 -5.6418 -5.2958 -5.2958 -5.2706 -5.2706 -4.9471 -4.9471 -4.9300 -4.9300 -4.6389 -4.6389 -4.6257 -4.6257 -4.5096 -4.5096 -4.4994 -4.4994 3.1783 3.1783 3.2403 3.2403 3.6442 3.6442 3.6735 3.6735 3.9123 3.9123 3.9468 3.9468 4.3391 4.3391 4.3714 4.3714 4.5527 4.5527 4.6323 4.6323 4.8093 4.8093 4.8969 4.8969 5.7000 5.7000 5.7490 5.7490 5.9383 5.9383 6.0242 6.0242 6.9522 6.9522 7.0418 7.0418 8.9757 8.9757 9.0263 9.0263 9.5505 9.5505 9.5990 9.5990 9.7713 9.7713 9.9142 9.9142 k = 0.5000 0.2887 0.5523 ( 10854 PWs) bands (ev): -20.5524 -20.5524 -20.5522 -20.5522 -7.2104 -7.2104 -7.2091 -7.2091 -5.6790 -5.6790 -5.6300 -5.6300 -5.3086 -5.3086 -5.2586 -5.2586 -4.9534 -4.9534 -4.9191 -4.9191 -4.6466 -4.6466 -4.6206 -4.6206 -4.5149 -4.5149 -4.4944 -4.4944 3.1487 3.1487 3.2730 3.2730 3.6297 3.6297 3.6865 3.6865 3.8972 3.8972 3.9663 3.9663 4.3027 4.3027 4.3581 4.3581 4.5150 4.5150 4.6718 4.6718 4.7989 4.7989 4.9634 4.9634 5.6775 5.6775 5.7747 5.7747 5.8913 5.8913 6.0609 6.0609 6.8990 6.8990 7.0768 7.0768 8.9463 8.9463 9.0494 9.0494 9.5321 9.5321 9.6256 9.6256 9.7049 9.7049 9.9832 9.9832 k = 0.5000 0.2887 0.5302 ( 10858 PWs) bands (ev): -20.5525 -20.5525 -20.5521 -20.5521 -7.2106 -7.2106 -7.2086 -7.2086 -5.6921 -5.6921 -5.6184 -5.6184 -5.3211 -5.3211 -5.2472 -5.2472 -4.9584 -4.9584 -4.9065 -4.9065 -4.6547 -4.6547 -4.6169 -4.6169 -4.5204 -4.5204 -4.4893 -4.4893 3.1195 3.1195 3.3072 3.3072 3.6162 3.6162 3.6969 3.6969 3.8833 3.8833 3.9872 3.9872 4.2596 4.2596 4.3275 4.3275 4.4786 4.4786 4.7094 4.7094 4.8108 4.8108 5.0382 5.0382 5.6563 5.6563 5.7992 5.7992 5.8446 5.8446 6.0923 6.0923 6.8417 6.8417 7.1046 7.1046 8.9132 8.9132 9.0719 9.0719 9.5179 9.5179 9.6211 9.6211 9.6762 9.6762 10.0451 10.0451 k = 0.5000 0.2887 0.5081 ( 10850 PWs) bands (ev): -20.5526 -20.5526 -20.5520 -20.5520 -7.2107 -7.2107 -7.2080 -7.2080 -5.7056 -5.7056 -5.6071 -5.6071 -5.3331 -5.3331 -5.2366 -5.2366 -4.9623 -4.9623 -4.8923 -4.8923 -4.6631 -4.6631 -4.6148 -4.6148 -4.5259 -4.5259 -4.4840 -4.4840 3.0906 3.0906 3.3431 3.3431 3.6043 3.6043 3.7030 3.7030 3.8703 3.8703 4.0095 4.0095 4.2128 4.2128 4.2879 4.2879 4.4430 4.4430 4.7446 4.7446 4.8391 4.8391 5.1179 5.1179 5.6357 5.6357 5.7902 5.7902 5.8318 5.8318 6.1175 6.1175 6.7814 6.7814 7.1249 7.1249 8.8756 8.8756 9.0949 9.0949 9.5069 9.5069 9.5682 9.5682 9.7042 9.7042 10.0941 10.0941 k = 0.5000 0.2887 0.4860 ( 10860 PWs) bands (ev): -20.5527 -20.5527 -20.5520 -20.5520 -7.2107 -7.2107 -7.2075 -7.2075 -5.7194 -5.7194 -5.5959 -5.5959 -5.3444 -5.3444 -5.2269 -5.2269 -4.9651 -4.9651 -4.8768 -4.8768 -4.6716 -4.6716 -4.6146 -4.6146 -4.5314 -4.5314 -4.4784 -4.4784 3.0618 3.0618 3.3809 3.3809 3.5941 3.5941 3.7031 3.7031 3.8581 3.8581 4.0326 4.0326 4.1647 4.1647 4.2471 4.2471 4.4089 4.4089 4.7771 4.7771 4.8769 4.8769 5.1998 5.1998 5.6139 5.6139 5.7489 5.7489 5.8543 5.8543 6.1359 6.1359 6.7197 6.7197 7.1378 7.1378 8.8329 8.8329 9.1188 9.1188 9.4904 9.4904 9.5253 9.5253 9.7393 9.7393 10.1247 10.1247 k = 0.5000 0.2887 0.4640 ( 10858 PWs) bands (ev): -20.5528 -20.5528 -20.5519 -20.5519 -7.2106 -7.2106 -7.2068 -7.2068 -5.7335 -5.7335 -5.5849 -5.5849 -5.3549 -5.3549 -5.2179 -5.2179 -4.9673 -4.9673 -4.8601 -4.8601 -4.6801 -4.6801 -4.6162 -4.6162 -4.5369 -4.5369 -4.4723 -4.4723 3.0330 3.0330 3.4207 3.4207 3.5858 3.5858 3.6955 3.6955 3.8463 3.8463 4.0556 4.0556 4.1174 4.1174 4.2111 4.2111 4.3772 4.3772 4.8065 4.8065 4.9199 4.9199 5.2809 5.2809 5.5888 5.5888 5.7148 5.7148 5.8762 5.8762 6.1468 6.1468 6.6583 6.6583 7.1435 7.1435 8.7848 8.7848 9.1443 9.1443 9.4512 9.4512 9.5149 9.5149 9.7760 9.7760 10.1375 10.1375 k = 0.5000 0.2887 0.4419 ( 10866 PWs) bands (ev): -20.5529 -20.5529 -20.5519 -20.5519 -7.2105 -7.2105 -7.2062 -7.2062 -5.7478 -5.7478 -5.5740 -5.5740 -5.3643 -5.3643 -5.2097 -5.2097 -4.9689 -4.9689 -4.8427 -4.8427 -4.6884 -4.6884 -4.6198 -4.6198 -4.5421 -4.5421 -4.4659 -4.4659 3.0040 3.0040 3.4624 3.4624 3.5784 3.5784 3.6793 3.6793 3.8349 3.8349 4.0633 4.0633 4.0854 4.0854 4.1850 4.1850 4.3489 4.3489 4.8322 4.8322 4.9655 4.9655 5.3542 5.3542 5.5630 5.5630 5.6933 5.6933 5.8942 5.8942 6.1498 6.1498 6.5995 6.5995 7.1425 7.1425 8.7312 8.7312 9.1716 9.1716 9.4089 9.4089 9.5178 9.5178 9.8131 9.8131 10.1398 10.1398 k = 0.5000 0.2887 0.4198 ( 10870 PWs) bands (ev): -20.5529 -20.5529 -20.5518 -20.5518 -7.2104 -7.2104 -7.2055 -7.2055 -5.7623 -5.7623 -5.5632 -5.5632 -5.3726 -5.3726 -5.2021 -5.2021 -4.9701 -4.9701 -4.8250 -4.8250 -4.6963 -4.6963 -4.6250 -4.6250 -4.5471 -4.5471 -4.4591 -4.4591 2.9750 2.9750 3.5061 3.5061 3.5697 3.5697 3.6569 3.6569 3.8239 3.8239 4.0218 4.0218 4.0994 4.0994 4.1737 4.1737 4.3249 4.3249 4.8538 4.8538 5.0119 5.0119 5.3973 5.3973 5.5592 5.5592 5.6838 5.6838 5.9060 5.9060 6.1445 6.1445 6.5462 6.5462 7.1356 7.1356 8.6724 8.6724 9.2009 9.2009 9.3714 9.3714 9.5257 9.5257 9.8499 9.8499 10.1392 10.1392 k = 0.5000 0.2887 0.3977 ( 10878 PWs) bands (ev): -20.5530 -20.5530 -20.5518 -20.5518 -7.2101 -7.2101 -7.2048 -7.2048 -5.7769 -5.7769 -5.5527 -5.5527 -5.3797 -5.3797 -5.1951 -5.1951 -4.9713 -4.9713 -4.8077 -4.8077 -4.7035 -4.7035 -4.6318 -4.6318 -4.5517 -4.5517 -4.4519 -4.4519 2.9460 2.9460 3.5486 3.5486 3.5557 3.5557 3.6362 3.6362 3.8127 3.8127 3.9781 3.9781 4.1089 4.1089 4.1807 4.1807 4.3063 4.3063 4.8712 4.8712 5.0581 5.0581 5.3848 5.3848 5.6050 5.6050 5.6837 5.6837 5.9091 5.9091 6.1309 6.1309 6.5015 6.5015 7.1239 7.1239 8.6091 8.6091 9.2314 9.2314 9.3399 9.3399 9.5369 9.5369 9.8858 9.8858 10.1408 10.1408 k = 0.5000 0.2887 0.3756 ( 10858 PWs) bands (ev): -20.5531 -20.5531 -20.5517 -20.5517 -7.2099 -7.2099 -7.2042 -7.2042 -5.7914 -5.7914 -5.5424 -5.5424 -5.3854 -5.3854 -5.1885 -5.1885 -4.9725 -4.9725 -4.7916 -4.7916 -4.7098 -4.7098 -4.6397 -4.6397 -4.5556 -4.5556 -4.4445 -4.4445 2.9170 2.9170 3.5203 3.5203 3.5977 3.5977 3.6277 3.6277 3.8011 3.8011 3.9362 3.9362 4.1135 4.1135 4.2003 4.2003 4.2944 4.2944 4.8843 4.8843 5.1025 5.1025 5.3429 5.3429 5.6694 5.6694 5.6971 5.6971 5.9005 5.9005 6.1101 6.1101 6.4685 6.4685 7.1082 7.1082 8.5418 8.5418 9.2600 9.2600 9.3171 9.3171 9.5504 9.5504 9.9204 9.9204 10.1474 10.1474 k = 0.5000 0.2887 0.3535 ( 10854 PWs) bands (ev): -20.5532 -20.5532 -20.5517 -20.5517 -7.2095 -7.2095 -7.2035 -7.2035 -5.8058 -5.8058 -5.5326 -5.5326 -5.3897 -5.3897 -5.1821 -5.1821 -4.9740 -4.9740 -4.7780 -4.7780 -4.7146 -4.7146 -4.6484 -4.6484 -4.5585 -4.5585 -4.4370 -4.4370 2.8883 2.8883 3.4756 3.4756 3.6240 3.6240 3.6499 3.6499 3.7890 3.7890 3.8972 3.8972 4.1185 4.1185 4.2229 4.2229 4.2918 4.2918 4.8934 4.8934 5.1422 5.1422 5.2951 5.2951 5.6913 5.6913 5.7607 5.7607 5.8787 5.8787 6.0850 6.0850 6.4487 6.4487 7.0899 7.0899 8.4713 8.4713 9.2691 9.2691 9.3194 9.3194 9.5653 9.5653 9.9533 9.9533 10.1607 10.1607 k = 0.5000 0.2887 0.3314 ( 10862 PWs) bands (ev): -20.5533 -20.5533 -20.5516 -20.5516 -7.2092 -7.2092 -7.2028 -7.2028 -5.8198 -5.8198 -5.5233 -5.5233 -5.3923 -5.3923 -5.1758 -5.1758 -4.9760 -4.9760 -4.7684 -4.7684 -4.7169 -4.7169 -4.6578 -4.6578 -4.5598 -4.5598 -4.4294 -4.4294 2.8601 2.8601 3.4246 3.4246 3.6325 3.6325 3.6927 3.6927 3.7792 3.7792 3.8626 3.8626 4.1257 4.1257 4.2412 4.2412 4.3026 4.3026 4.8989 4.8989 5.1644 5.1644 5.2600 5.2600 5.7021 5.7021 5.8224 5.8224 5.8516 5.8516 6.0624 6.0624 6.4416 6.4416 7.0702 7.0702 8.3983 8.3983 9.2556 9.2556 9.3486 9.3486 9.5810 9.5810 9.9842 9.9842 10.1816 10.1816 k = 0.5000 0.2887 0.3093 ( 10872 PWs) bands (ev): -20.5533 -20.5533 -20.5516 -20.5516 -7.2088 -7.2088 -7.2022 -7.2022 -5.8335 -5.8335 -5.5148 -5.5148 -5.3931 -5.3931 -5.1697 -5.1697 -4.9787 -4.9787 -4.7638 -4.7638 -4.7166 -4.7166 -4.6674 -4.6674 -4.5591 -4.5591 -4.4219 -4.4219 2.8324 2.8324 3.3712 3.3712 3.6427 3.6427 3.7169 3.7169 3.7866 3.7866 3.8348 3.8348 4.1354 4.1354 4.2536 4.2536 4.3267 4.3267 4.9013 4.9013 5.1409 5.1409 5.2678 5.2678 5.7100 5.7100 5.7927 5.7927 5.8820 5.8820 6.0602 6.0602 6.4451 6.4451 7.0502 7.0502 8.3234 8.3234 9.2396 9.2396 9.3834 9.3834 9.5966 9.5966 10.0130 10.0130 10.2105 10.2105 k = 0.5000 0.2887 0.2872 ( 10862 PWs) bands (ev): -20.5534 -20.5534 -20.5516 -20.5516 -7.2084 -7.2084 -7.2016 -7.2016 -5.8467 -5.8467 -5.5073 -5.5073 -5.3921 -5.3921 -5.1635 -5.1635 -4.9821 -4.9821 -4.7635 -4.7635 -4.7150 -4.7150 -4.6770 -4.6770 -4.5556 -4.5556 -4.4145 -4.4145 2.8057 2.8057 3.3177 3.3177 3.6513 3.6513 3.7123 3.7123 3.7991 3.7991 3.8381 3.8381 4.1476 4.1476 4.2648 4.2648 4.3583 4.3583 4.9009 4.9009 5.0914 5.0914 5.2995 5.2995 5.7015 5.7015 5.7538 5.7538 5.8801 5.8801 6.1009 6.1009 6.4566 6.4566 7.0312 7.0312 8.2471 8.2471 9.2248 9.2248 9.4188 9.4188 9.6116 9.6116 10.0393 10.0393 10.2475 10.2475 k = 0.5000 0.2887 0.2651 ( 10858 PWs) bands (ev): -20.5535 -20.5535 -20.5516 -20.5516 -7.2080 -7.2080 -7.2010 -7.2010 -5.8592 -5.8592 -5.5010 -5.5010 -5.3890 -5.3890 -5.1572 -5.1572 -4.9865 -4.9865 -4.7656 -4.7656 -4.7142 -4.7142 -4.6864 -4.6864 -4.5494 -4.5494 -4.4074 -4.4074 2.7800 2.7800 3.2653 3.2653 3.6493 3.6493 3.7070 3.7070 3.7841 3.7841 3.8849 3.8849 4.1628 4.1628 4.2781 4.2781 4.3934 4.3934 4.8978 4.8978 5.0370 5.0370 5.3347 5.3347 5.6524 5.6524 5.7464 5.7464 5.8449 5.8449 6.1705 6.1705 6.4736 6.4736 7.0142 7.0142 8.1698 8.1698 9.2115 9.2115 9.4535 9.4535 9.6255 9.6255 10.0632 10.0632 10.2920 10.2920 k = 0.5000 0.2887 0.2430 ( 10858 PWs) bands (ev): -20.5535 -20.5535 -20.5515 -20.5515 -7.2076 -7.2076 -7.2005 -7.2005 -5.8711 -5.8711 -5.4960 -5.4960 -5.3839 -5.3839 -5.1509 -5.1509 -4.9919 -4.9919 -4.7687 -4.7687 -4.7156 -4.7156 -4.6954 -4.6954 -4.5407 -4.5407 -4.4006 -4.4006 2.7555 2.7555 3.2151 3.2151 3.6322 3.6322 3.7116 3.7116 3.7729 3.7729 3.9369 3.9369 4.1817 4.1817 4.2944 4.2944 4.4302 4.4302 4.8913 4.8913 4.9837 4.9837 5.3687 5.3687 5.5876 5.5876 5.7468 5.7468 5.7966 5.7966 6.2499 6.2499 6.4939 6.4939 7.0000 7.0000 8.0918 8.0918 9.1997 9.1997 9.4867 9.4867 9.6378 9.6378 10.0844 10.0844 10.3429 10.3429 k = 0.5000 0.2887 0.2209 ( 10846 PWs) bands (ev): -20.5536 -20.5536 -20.5515 -20.5515 -7.2072 -7.2072 -7.2000 -7.2000 -5.8822 -5.8822 -5.4922 -5.4922 -5.3769 -5.3769 -5.1446 -5.1446 -4.9983 -4.9983 -4.7719 -4.7719 -4.7191 -4.7191 -4.7038 -4.7038 -4.5302 -4.5302 -4.3942 -4.3942 2.7326 2.7326 3.1676 3.1676 3.6085 3.6085 3.7140 3.7140 3.7739 3.7739 3.9875 3.9875 4.2057 4.2057 4.3140 4.3140 4.4675 4.4675 4.8769 4.8769 4.9378 4.9378 5.3986 5.3986 5.5204 5.5204 5.7262 5.7262 5.7604 5.7604 6.3321 6.3321 6.5162 6.5162 6.9895 6.9895 8.0134 8.0134 9.1892 9.1892 9.5181 9.5181 9.6482 9.6482 10.1031 10.1031 10.3984 10.3984 k = 0.5000 0.2887 0.1988 ( 10856 PWs) bands (ev): -20.5537 -20.5537 -20.5515 -20.5515 -7.2068 -7.2068 -7.1996 -7.1996 -5.8924 -5.8924 -5.4895 -5.4895 -5.3685 -5.3685 -5.1383 -5.1383 -5.0056 -5.0056 -4.7750 -4.7750 -4.7246 -4.7246 -4.7116 -4.7116 -4.5186 -4.5186 -4.3882 -4.3882 2.7112 2.7112 3.1235 3.1235 3.5838 3.5838 3.7075 3.7075 3.7890 3.7890 4.0333 4.0333 4.2364 4.2364 4.3368 4.3368 4.5049 4.5049 4.8443 4.8443 4.9109 4.9109 5.4115 5.4115 5.4657 5.4657 5.6685 5.6685 5.7537 5.7537 6.4143 6.4143 6.5396 6.5396 6.9829 6.9829 7.9348 7.9348 9.1798 9.1798 9.5473 9.5473 9.6567 9.6567 10.1194 10.1194 10.4561 10.4561 k = 0.5000 0.2887 0.1767 ( 10854 PWs) bands (ev): -20.5537 -20.5537 -20.5515 -20.5515 -7.2065 -7.2065 -7.1992 -7.1992 -5.9017 -5.9017 -5.4876 -5.4876 -5.3588 -5.3588 -5.1322 -5.1322 -5.0136 -5.0136 -4.7777 -4.7777 -4.7312 -4.7312 -4.7186 -4.7186 -4.5067 -4.5067 -4.3826 -4.3826 2.6917 2.6917 3.0830 3.0830 3.5601 3.5601 3.6969 3.6969 3.8118 3.8118 4.0716 4.0716 4.2758 4.2758 4.3629 4.3629 4.5415 4.5415 4.7984 4.7984 4.8989 4.8989 5.3644 5.3644 5.4661 5.4661 5.6054 5.6054 5.7480 5.7480 6.4940 6.4940 6.5643 6.5643 6.9806 6.9806 7.8560 7.8560 9.1715 9.1715 9.5741 9.5741 9.6631 9.6631 10.1334 10.1334 10.5127 10.5127 k = 0.5000 0.2887 0.1547 ( 10858 PWs) bands (ev): -20.5538 -20.5538 -20.5515 -20.5515 -7.2061 -7.2061 -7.1988 -7.1988 -5.9101 -5.9101 -5.4864 -5.4864 -5.3484 -5.3484 -5.1264 -5.1264 -5.0222 -5.0222 -4.7800 -4.7800 -4.7385 -4.7385 -4.7250 -4.7250 -4.4951 -4.4951 -4.3776 -4.3776 2.6741 2.6741 3.0467 3.0467 3.5382 3.5382 3.6855 3.6855 3.8378 3.8378 4.1012 4.1012 4.3238 4.3238 4.3919 4.3919 4.5768 4.5768 4.7503 4.7503 4.8917 4.8917 5.2983 5.2983 5.4728 5.4728 5.5501 5.5501 5.7400 5.7400 6.5605 6.5605 6.5996 6.5996 6.9827 6.9827 7.7773 7.7773 9.1641 9.1641 9.5985 9.5985 9.6675 9.6675 10.1452 10.1452 10.5644 10.5644 k = 0.5000 0.2887 0.1326 ( 10850 PWs) bands (ev): -20.5538 -20.5538 -20.5515 -20.5515 -7.2058 -7.2058 -7.1985 -7.1985 -5.9174 -5.9174 -5.4857 -5.4857 -5.3378 -5.3378 -5.1210 -5.1210 -5.0310 -5.0310 -4.7818 -4.7818 -4.7460 -4.7460 -4.7305 -4.7305 -4.4844 -4.4844 -4.3731 -4.3731 2.6585 2.6585 3.0146 3.0146 3.5188 3.5188 3.6748 3.6748 3.8650 3.8650 4.1232 4.1232 4.3780 4.3780 4.4238 4.4238 4.6100 4.6100 4.7042 4.7042 4.8864 4.8864 5.2322 5.2322 5.4378 5.4378 5.5339 5.5339 5.7303 5.7303 6.5925 6.5925 6.6648 6.6648 6.9895 6.9895 7.6986 7.6986 9.1577 9.1577 9.6202 9.6202 9.6702 9.6702 10.1551 10.1551 10.6078 10.6078 k = 0.5000 0.2887 0.1105 ( 10850 PWs) bands (ev): -20.5538 -20.5538 -20.5514 -20.5514 -7.2055 -7.2055 -7.1983 -7.1983 -5.9236 -5.9236 -5.4853 -5.4853 -5.3273 -5.3273 -5.1164 -5.1164 -5.0394 -5.0394 -4.7831 -4.7831 -4.7532 -4.7532 -4.7352 -4.7352 -4.4748 -4.4748 -4.3692 -4.3692 2.6452 2.6452 2.9871 2.9871 3.5020 3.5020 3.6653 3.6653 3.8921 3.8921 4.1392 4.1392 4.4333 4.4333 4.4600 4.4600 4.6388 4.6388 4.6632 4.6632 4.8822 4.8822 5.1687 5.1687 5.3749 5.3749 5.5428 5.5428 5.7198 5.7198 6.6120 6.6120 6.7355 6.7355 7.0020 7.0020 7.6200 7.6200 9.1522 9.1522 9.6389 9.6389 9.6715 9.6715 10.1632 10.1632 10.6411 10.6411 k = 0.5000 0.2887 0.0884 ( 10848 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2053 -7.2053 -7.1981 -7.1981 -5.9288 -5.9288 -5.4850 -5.4850 -5.3176 -5.3176 -5.1128 -5.1128 -5.0471 -5.0471 -4.7840 -4.7840 -4.7598 -4.7598 -4.7391 -4.7391 -4.4666 -4.4666 -4.3660 -4.3660 2.6342 2.6342 2.9644 2.9644 3.4880 3.4880 3.6573 3.6573 3.9176 3.9176 4.1509 4.1509 4.4774 4.4774 4.5077 4.5077 4.6231 4.6231 4.6686 4.6686 4.8794 4.8794 5.1095 5.1095 5.3086 5.3086 5.5533 5.5533 5.7097 5.7097 6.6273 6.6273 6.7994 6.7994 7.0229 7.0229 7.5417 7.5417 9.1477 9.1477 9.6544 9.6544 9.6721 9.6721 10.1695 10.1695 10.6646 10.6646 k = 0.5000 0.2887 0.0663 ( 10844 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2051 -7.2051 -7.1979 -7.1979 -5.9328 -5.9328 -5.4849 -5.4849 -5.3091 -5.3091 -5.1103 -5.1103 -5.0533 -5.0533 -4.7844 -4.7844 -4.7655 -4.7655 -4.7421 -4.7421 -4.4601 -4.4601 -4.3635 -4.3635 2.6255 2.6255 2.9466 2.9466 3.4771 3.4771 3.6509 3.6509 3.9402 3.9402 4.1592 4.1592 4.5075 4.5075 4.5621 4.5621 4.5962 4.5962 4.6897 4.6897 4.8780 4.8780 5.0566 5.0566 5.2456 5.2456 5.5615 5.5615 5.7012 5.7012 6.6392 6.6392 6.8502 6.8502 7.0564 7.0564 7.4638 7.4638 9.1441 9.1441 9.6654 9.6654 9.6733 9.6733 10.1744 10.1744 10.6800 10.6800 k = 0.5000 0.2887 0.0442 ( 10846 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2050 -7.2050 -7.1978 -7.1978 -5.9357 -5.9357 -5.4849 -5.4849 -5.3024 -5.3024 -5.1089 -5.1089 -5.0579 -5.0579 -4.7845 -4.7845 -4.7700 -4.7700 -4.7443 -4.7443 -4.4554 -4.4554 -4.3616 -4.3616 2.6193 2.6193 2.9338 2.9338 3.4692 3.4692 3.6463 3.6463 3.9581 3.9581 4.1648 4.1648 4.5229 4.5229 4.5837 4.5837 4.6127 4.6127 4.7055 4.7055 4.8786 4.8786 5.0126 5.0126 5.1914 5.1914 5.5667 5.5667 5.6950 5.6950 6.6478 6.6478 6.8837 6.8837 7.1054 7.1054 7.3866 7.3866 9.1416 9.1416 9.6686 9.6686 9.6787 9.6787 10.1778 10.1778 10.6894 10.6894 k = 0.5000 0.2887 0.0221 ( 10846 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2049 -7.2049 -7.1978 -7.1978 -5.9374 -5.9374 -5.4849 -5.4849 -5.2981 -5.2981 -5.1084 -5.1084 -5.0605 -5.0605 -4.7844 -4.7844 -4.7729 -4.7729 -4.7456 -4.7456 -4.4525 -4.4525 -4.3605 -4.3605 2.6155 2.6155 2.9261 2.9261 3.4644 3.4644 3.6435 3.6435 3.9698 3.9698 4.1679 4.1679 4.5225 4.5225 4.5887 4.5887 4.6480 4.6480 4.7148 4.7148 4.8807 4.8807 4.9819 4.9819 5.1530 5.1530 5.5694 5.5694 5.6913 5.6913 6.6529 6.6529 6.9014 6.9014 7.1671 7.1671 7.3106 7.3106 9.1400 9.1400 9.6687 9.6687 9.6837 9.6837 10.1798 10.1798 10.6943 10.6943 k = 0.5000 0.2887-0.0000 ( 10866 PWs) bands (ev): -20.5539 -20.5539 -20.5514 -20.5514 -7.2049 -7.2049 -7.1977 -7.1977 -5.9380 -5.9380 -5.4849 -5.4849 -5.2966 -5.2966 -5.1083 -5.1083 -5.0614 -5.0614 -4.7843 -4.7843 -4.7740 -4.7740 -4.7460 -4.7460 -4.4515 -4.4515 -4.3601 -4.3601 2.6142 2.6142 2.9235 2.9235 3.4628 3.4628 3.6425 3.6425 3.9738 3.9738 4.1690 4.1690 4.5203 4.5203 4.5929 4.5929 4.6612 4.6612 4.7179 4.7179 4.8821 4.8821 4.9705 4.9705 5.1387 5.1387 5.5702 5.5702 5.6902 5.6902 6.6547 6.6547 6.9067 6.9067 7.2345 7.2345 7.2390 7.2390 9.1395 9.1395 9.6686 9.6686 9.6854 9.6854 10.1804 10.1804 10.6959 10.6959 k = 0.3333 0.5774-0.0000 ( 10875 PWs) bands (ev): -20.5527 -20.5527 -20.5527 -20.5527 -7.2149 -7.2149 -7.1947 -7.1947 -5.9265 -5.9265 -5.5423 -5.5423 -5.3299 -5.3299 -5.1329 -5.1329 -4.8985 -4.8985 -4.8669 -4.8669 -4.7916 -4.7916 -4.6244 -4.6244 -4.4843 -4.4843 -4.3875 -4.3875 2.9176 2.9176 3.0806 3.0806 3.1994 3.1994 3.2331 3.2331 4.0652 4.0652 4.1368 4.1368 4.4945 4.4945 4.5533 4.5533 4.7140 4.7140 4.7151 4.7151 4.9658 4.9658 5.2044 5.2044 5.4284 5.4284 5.4753 5.4753 5.6864 5.6864 5.8750 5.8750 6.6904 6.6904 7.1994 7.1994 7.4723 7.4723 9.6315 9.6315 9.6984 9.6984 9.7167 9.7167 9.7260 9.7260 10.2522 10.2522 k = 0.3333 0.5774 0.0221 ( 10884 PWs) bands (ev): -20.5527 -20.5527 -20.5527 -20.5527 -7.2148 -7.2148 -7.1947 -7.1947 -5.9259 -5.9259 -5.5424 -5.5424 -5.3307 -5.3307 -5.1333 -5.1333 -4.8975 -4.8975 -4.8664 -4.8664 -4.7913 -4.7913 -4.6244 -4.6244 -4.4845 -4.4845 -4.3885 -4.3885 2.9204 2.9204 3.0816 3.0816 3.2004 3.2004 3.2347 3.2347 4.0594 4.0594 4.1309 4.1309 4.5011 4.5011 4.5593 4.5593 4.7084 4.7084 4.7090 4.7090 4.9666 4.9666 5.2028 5.2028 5.4316 5.4316 5.4798 5.4798 5.6883 5.6883 5.8783 5.8783 6.6886 6.6886 7.1736 7.1736 7.4986 7.4986 9.6311 9.6311 9.6974 9.6974 9.7166 9.7166 9.7250 9.7250 10.2549 10.2549 k = 0.3333 0.5774 0.0442 ( 10896 PWs) bands (ev): -20.5527 -20.5527 -20.5527 -20.5527 -7.2148 -7.2148 -7.1949 -7.1949 -5.9242 -5.9242 -5.5428 -5.5428 -5.3333 -5.3333 -5.1344 -5.1344 -4.8944 -4.8944 -4.8653 -4.8653 -4.7903 -4.7903 -4.6243 -4.6243 -4.4849 -4.4849 -4.3914 -4.3914 2.9290 2.9290 3.0845 3.0845 3.2031 3.2031 3.2395 3.2395 4.0429 4.0429 4.1142 4.1142 4.5200 4.5200 4.5763 4.5763 4.6912 4.6912 4.6925 4.6925 4.9689 4.9689 5.1980 5.1980 5.4406 5.4406 5.4923 5.4923 5.6944 5.6944 5.8886 5.8886 6.6831 6.6831 7.1135 7.1135 7.5598 7.5598 9.6300 9.6300 9.6941 9.6941 9.7163 9.7163 9.7220 9.7220 10.2631 10.2631 k = 0.3333 0.5774 0.0663 ( 10884 PWs) bands (ev): -20.5527 -20.5527 -20.5526 -20.5526 -7.2147 -7.2147 -7.1952 -7.1952 -5.9212 -5.9212 -5.5436 -5.5436 -5.3375 -5.3375 -5.1363 -5.1363 -4.8893 -4.8893 -4.8635 -4.8635 -4.7886 -4.7886 -4.6240 -4.6240 -4.4855 -4.4855 -4.3962 -4.3962 2.9433 2.9433 3.0894 3.0894 3.2077 3.2077 3.2474 3.2474 4.0184 4.0184 4.0892 4.0892 4.5483 4.5483 4.6009 4.6009 4.6636 4.6636 4.6684 4.6684 4.9727 4.9727 5.1902 5.1902 5.4541 5.4541 5.5092 5.5092 5.7064 5.7064 5.9057 5.9057 6.6739 6.6739 7.0397 7.0397 7.6357 7.6357 9.6281 9.6281 9.6888 9.6888 9.7159 9.7159 9.7172 9.7172 10.2765 10.2765 k = 0.3333 0.5774 0.0884 ( 10896 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2146 -7.2146 -7.1955 -7.1955 -5.9172 -5.9172 -5.5446 -5.5446 -5.3430 -5.3430 -5.1387 -5.1387 -4.8826 -4.8826 -4.8613 -4.8613 -4.7862 -4.7862 -4.6237 -4.6237 -4.4864 -4.4864 -4.4029 -4.4029 2.9631 2.9631 3.0961 3.0961 3.2140 3.2140 3.2584 3.2584 3.9885 3.9885 4.0586 4.0586 4.5827 4.5827 4.6194 4.6194 4.6290 4.6290 4.6489 4.6489 4.9778 4.9778 5.1799 5.1799 5.4701 5.4701 5.5264 5.5264 5.7260 5.7260 5.9297 5.9297 6.6612 6.6612 6.9603 6.9603 7.7179 7.7179 9.6250 9.6250 9.6814 9.6814 9.7109 9.7109 9.7152 9.7152 10.2947 10.2947 k = 0.3333 0.5774 0.1105 ( 10902 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2145 -7.2145 -7.1960 -7.1960 -5.9120 -5.9120 -5.5458 -5.5458 -5.3498 -5.3498 -5.1415 -5.1415 -4.8744 -4.8744 -4.8590 -4.8590 -4.7830 -4.7830 -4.6232 -4.6232 -4.4874 -4.4874 -4.4112 -4.4112 2.9885 2.9885 3.1046 3.1046 3.2220 3.2220 3.2724 3.2724 3.9554 3.9554 4.0244 4.0244 4.5850 4.5850 4.5912 4.5912 4.6255 4.6255 4.6739 4.6739 4.9838 4.9838 5.1675 5.1675 5.4874 5.4874 5.5402 5.5402 5.7547 5.7547 5.9603 5.9603 6.6450 6.6450 6.8785 6.8785 7.8034 7.8034 9.6203 9.6203 9.6720 9.6720 9.7033 9.7033 9.7143 9.7143 10.3174 10.3174 k = 0.3333 0.5774 0.1326 ( 10896 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2144 -7.2144 -7.1966 -7.1966 -5.9056 -5.9056 -5.5473 -5.5473 -5.3576 -5.3576 -5.1447 -5.1447 -4.8651 -4.8651 -4.8569 -4.8569 -4.7790 -4.7790 -4.6225 -4.6225 -4.4887 -4.4887 -4.4211 -4.4211 3.0192 3.0192 3.1149 3.1149 3.2314 3.2314 3.2895 3.2895 3.9209 3.9209 3.9882 3.9882 4.5417 4.5417 4.5508 4.5508 4.6663 4.6663 4.7090 4.7090 4.9902 4.9902 5.1541 5.1541 5.5050 5.5050 5.5495 5.5495 5.7918 5.7918 5.9968 5.9968 6.6254 6.6254 6.7956 6.7956 7.8908 7.8908 9.6134 9.6134 9.6605 9.6605 9.6952 9.6952 9.7130 9.7130 10.3440 10.3440 k = 0.3333 0.5774 0.1547 ( 10884 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2142 -7.2142 -7.1972 -7.1972 -5.8982 -5.8982 -5.5491 -5.5491 -5.3661 -5.3661 -5.1480 -5.1480 -4.8551 -4.8551 -4.8549 -4.8549 -4.7744 -4.7744 -4.6216 -4.6216 -4.4901 -4.4901 -4.4322 -4.4322 3.0550 3.0550 3.1267 3.1267 3.2420 3.2420 3.3093 3.3093 3.8861 3.8861 3.9513 3.9513 4.4955 4.4955 4.5074 4.5074 4.7088 4.7088 4.7445 4.7445 4.9954 4.9954 5.1411 5.1411 5.5229 5.5229 5.5549 5.5549 5.8351 5.8351 6.0384 6.0384 6.6024 6.6024 6.7126 6.7126 7.9797 7.9797 9.6036 9.6036 9.6470 9.6470 9.6872 9.6872 9.7114 9.7114 10.3737 10.3737 k = 0.3333 0.5774 0.1767 ( 10881 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2141 -7.2141 -7.1980 -7.1980 -5.8897 -5.8897 -5.5510 -5.5510 -5.3751 -5.3751 -5.1515 -5.1515 -4.8538 -4.8538 -4.8441 -4.8441 -4.7693 -4.7693 -4.6204 -4.6204 -4.4917 -4.4917 -4.4441 -4.4441 3.0959 3.0959 3.1399 3.1399 3.2537 3.2537 3.3320 3.3320 3.8519 3.8519 3.9143 3.9143 4.4484 4.4484 4.4628 4.4628 4.7507 4.7507 4.7783 4.7783 4.9974 4.9974 5.1311 5.1311 5.5414 5.5414 5.5581 5.5581 5.8817 5.8817 6.0838 6.0838 6.5755 6.5755 6.6307 6.6307 8.0695 8.0695 9.5902 9.5902 9.6312 9.6312 9.6798 9.6798 9.7095 9.7095 10.4057 10.4057 k = 0.3333 0.5774 0.1988 ( 10857 PWs) bands (ev): -20.5526 -20.5526 -20.5526 -20.5526 -7.2139 -7.2139 -7.1988 -7.1988 -5.8801 -5.8801 -5.5531 -5.5531 -5.3845 -5.3845 -5.1550 -5.1550 -4.8531 -4.8531 -4.8331 -4.8331 -4.7639 -4.7639 -4.6188 -4.6188 -4.4940 -4.4940 -4.4564 -4.4564 3.1416 3.1416 3.1543 3.1543 3.2661 3.2661 3.3573 3.3573 3.8192 3.8192 3.8778 3.8778 4.4014 4.4014 4.4183 4.4183 4.7905 4.7905 4.8091 4.8091 4.9933 4.9933 5.1272 5.1272 5.5608 5.5608 5.5614 5.5614 5.9288 5.9288 6.1320 6.1320 6.5351 6.5351 6.5606 6.5606 8.1602 8.1602 9.5728 9.5728 9.6131 9.6131 9.6734 9.6734 9.7073 9.7073 10.4387 10.4387 k = 0.3333 0.5774 0.2209 ( 10863 PWs) bands (ev): -20.5525 -20.5525 -20.5525 -20.5525 -7.2138 -7.2138 -7.1996 -7.1996 -5.8696 -5.8696 -5.5552 -5.5552 -5.3940 -5.3940 -5.1586 -5.1586 -4.8530 -4.8530 -4.8222 -4.8222 -4.7584 -4.7584 -4.6168 -4.6168 -4.4977 -4.4977 -4.4677 -4.4677 3.1698 3.1698 3.1917 3.1917 3.2787 3.2787 3.3851 3.3851 3.7886 3.7886 3.8425 3.8425 4.3553 4.3553 4.3744 4.3744 4.8264 4.8264 4.8357 4.8357 4.9821 4.9821 5.1311 5.1311 5.5646 5.5646 5.5838 5.5838 5.9732 5.9732 6.1815 6.1815 6.4624 6.4624 6.5228 6.5228 8.2515 8.2515 9.5513 9.5513 9.5926 9.5926 9.6678 9.6678 9.7047 9.7047 10.4717 10.4717 k = 0.3333 0.5774 0.2430 ( 10851 PWs) bands (ev): -20.5525 -20.5525 -20.5525 -20.5525 -7.2136 -7.2136 -7.2005 -7.2005 -5.8582 -5.8582 -5.5575 -5.5575 -5.4035 -5.4035 -5.1621 -5.1621 -4.8534 -4.8534 -4.8115 -4.8115 -4.7533 -4.7533 -4.6143 -4.6143 -4.5047 -4.5047 -4.4759 -4.4759 3.1859 3.1859 3.2459 3.2459 3.2912 3.2912 3.4153 3.4153 3.7610 3.7610 3.8086 3.8086 4.3105 4.3105 4.3319 4.3319 4.8556 4.8556 4.8572 4.8572 4.9662 4.9662 5.1420 5.1420 5.5710 5.5710 5.6094 5.6094 6.0106 6.0106 6.2314 6.2314 6.3887 6.3887 6.4894 6.4894 8.3434 8.3434 9.5259 9.5259 9.5695 9.5695 9.6630 9.6630 9.7018 9.7018 10.5031 10.5031 k = 0.3333 0.5774 0.2651 ( 10833 PWs) bands (ev): -20.5525 -20.5525 -20.5525 -20.5525 -7.2135 -7.2135 -7.2014 -7.2014 -5.8460 -5.8460 -5.5597 -5.5597 -5.4129 -5.4129 -5.1658 -5.1658 -4.8544 -4.8544 -4.8014 -4.8014 -4.7486 -4.7486 -4.6113 -4.6113 -4.5157 -4.5157 -4.4798 -4.4798 3.2024 3.2024 3.2988 3.2988 3.3078 3.3078 3.4477 3.4477 3.7371 3.7371 3.7766 3.7766 4.2676 4.2676 4.2912 4.2912 4.8725 4.8725 4.8729 4.8729 4.9521 4.9521 5.1579 5.1579 5.5814 5.5814 5.6390 5.6390 6.0330 6.0330 6.2806 6.2806 6.3258 6.3258 6.4557 6.4557 8.4357 8.4357 9.4969 9.4969 9.5438 9.5438 9.6586 9.6586 9.6987 9.6987 10.5313 10.5313 k = 0.3333 0.5774 0.2872 ( 10842 PWs) bands (ev): -20.5525 -20.5525 -20.5525 -20.5525 -7.2134 -7.2134 -7.2024 -7.2024 -5.8330 -5.8330 -5.5619 -5.5619 -5.4220 -5.4220 -5.1696 -5.1696 -4.8558 -4.8558 -4.7920 -4.7920 -4.7447 -4.7447 -4.6077 -4.6077 -4.5292 -4.5292 -4.4808 -4.4808 3.2188 3.2188 3.3113 3.3113 3.3664 3.3664 3.4821 3.4821 3.7177 3.7177 3.7470 3.7470 4.2269 4.2269 4.2527 4.2527 4.8682 4.8682 4.8826 4.8826 4.9496 4.9496 5.1773 5.1773 5.5968 5.5968 5.6727 5.6727 6.0274 6.0274 6.2852 6.2852 6.3281 6.3281 6.4226 6.4226 8.5284 8.5284 9.4648 9.4648 9.5156 9.5156 9.6544 9.6544 9.6952 9.6952 10.5546 10.5546 k = 0.3333 0.5774 0.3093 ( 10839 PWs) bands (ev): -20.5525 -20.5525 -20.5525 -20.5525 -7.2133 -7.2133 -7.2034 -7.2034 -5.8195 -5.8195 -5.5640 -5.5640 -5.4308 -5.4308 -5.1736 -5.1736 -4.8577 -4.8577 -4.7835 -4.7835 -4.7417 -4.7417 -4.6036 -4.6036 -4.5434 -4.5434 -4.4802 -4.4802 3.2348 3.2348 3.3186 3.3186 3.4304 3.4304 3.5183 3.5183 3.7040 3.7040 3.7201 3.7201 4.1887 4.1887 4.2168 4.2168 4.8461 4.8461 4.8865 4.8865 4.9557 4.9557 5.1992 5.1992 5.6175 5.6175 5.7106 5.7106 5.9874 5.9874 6.2696 6.2696 6.3732 6.3732 6.3939 6.3939 8.6214 8.6214 9.4300 9.4300 9.4852 9.4852 9.6503 9.6503 9.6915 9.6915 10.5713 10.5713 k = 0.3333 0.5774 0.3314 ( 10860 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2132 -7.2132 -7.2043 -7.2043 -5.8055 -5.8055 -5.5658 -5.5658 -5.4391 -5.4391 -5.1779 -5.1779 -4.8599 -4.8599 -4.7760 -4.7760 -4.7397 -4.7397 -4.5989 -4.5989 -4.5577 -4.5577 -4.4785 -4.4785 3.2497 3.2497 3.3227 3.3227 3.4959 3.4959 3.5563 3.5563 3.6963 3.6963 3.6970 3.6970 4.1531 4.1531 4.1835 4.1835 4.8164 4.8164 4.8849 4.8849 4.9609 4.9609 5.2234 5.2234 5.6426 5.6426 5.7523 5.7523 5.9241 5.9241 6.2604 6.2604 6.3776 6.3776 6.4150 6.4150 8.7147 8.7147 9.3932 9.3932 9.4530 9.4530 9.6460 9.6460 9.6876 9.6876 10.5799 10.5799 k = 0.3333 0.5774 0.3535 ( 10860 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2131 -7.2131 -7.2053 -7.2053 -5.7912 -5.7912 -5.5673 -5.5673 -5.4470 -5.4470 -5.1826 -5.1826 -4.8623 -4.8623 -4.7694 -4.7694 -4.7388 -4.7388 -4.5938 -4.5938 -4.5714 -4.5714 -4.4760 -4.4760 3.2631 3.2631 3.3233 3.3233 3.5602 3.5602 3.5960 3.5960 3.6761 3.6761 3.6988 3.6988 4.1204 4.1204 4.1532 4.1532 4.7839 4.7839 4.8785 4.8785 4.9615 4.9615 5.2496 5.2496 5.6684 5.6684 5.7972 5.7972 5.8533 5.8533 6.2387 6.2387 6.3799 6.3799 6.4529 6.4529 8.8082 8.8082 9.3553 9.3553 9.4196 9.4196 9.6416 9.6416 9.6834 9.6834 10.5788 10.5788 k = 0.3333 0.5774 0.3756 ( 10860 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2131 -7.2131 -7.2062 -7.2062 -5.7768 -5.7768 -5.5685 -5.5685 -5.4543 -5.4543 -5.1878 -5.1878 -4.8648 -4.8648 -4.7639 -4.7639 -4.7389 -4.7389 -4.5884 -4.5884 -4.5842 -4.5842 -4.4730 -4.4730 3.2743 3.2743 3.3206 3.3206 3.6165 3.6165 3.6376 3.6376 3.6598 3.6598 3.7146 3.7146 4.0908 4.0908 4.1260 4.1260 4.7505 4.7505 4.8683 4.8683 4.9569 4.9569 5.2777 5.2777 5.6783 5.6783 5.7972 5.7972 5.8444 5.8444 6.2043 6.2043 6.3945 6.3945 6.4863 6.4863 8.9019 8.9019 9.3169 9.3169 9.3858 9.3858 9.6370 9.6370 9.6790 9.6790 10.5658 10.5658 k = 0.3333 0.5774 0.3977 ( 10848 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2131 -7.2131 -7.2071 -7.2071 -5.7626 -5.7626 -5.5692 -5.5692 -5.4610 -5.4610 -5.1936 -5.1936 -4.8673 -4.8673 -4.7592 -4.7592 -4.7399 -4.7399 -4.5959 -4.5959 -4.5828 -4.5828 -4.4696 -4.4696 3.2832 3.2832 3.3151 3.3151 3.6474 3.6474 3.6556 3.6556 3.6783 3.6783 3.7544 3.7544 4.0643 4.0643 4.1019 4.1019 4.7178 4.7178 4.8551 4.8551 4.9477 4.9477 5.3068 5.3068 5.6354 5.6354 5.7951 5.7951 5.8931 5.8931 6.1634 6.1634 6.4124 6.4124 6.5149 6.5149 8.9958 8.9958 9.2790 9.2790 9.3523 9.3523 9.6324 9.6324 9.6746 9.6746 10.5393 10.5393 k = 0.3333 0.5774 0.4198 ( 10860 PWs) bands (ev): -20.5524 -20.5524 -20.5524 -20.5524 -7.2131 -7.2131 -7.2079 -7.2079 -5.7489 -5.7489 -5.5693 -5.5693 -5.4671 -5.4671 -5.1999 -5.1999 -4.8697 -4.8697 -4.7554 -4.7554 -4.7417 -4.7417 -4.6064 -4.6064 -4.5773 -4.5773 -4.4660 -4.4660 3.2893 3.2893 3.3075 3.3075 3.6391 3.6391 3.6791 3.6791 3.7185 3.7185 3.8133 3.8133 4.0413 4.0413 4.0810 4.0810 4.6873 4.6873 4.8397 4.8397 4.9351 4.9351 5.3343 5.3343 5.5627 5.5627 5.8266 5.8266 5.9423 5.9423 6.1192 6.1192 6.4292 6.4292 6.5382 6.5382 9.0896 9.0896 9.2425 9.2425 9.3201 9.3201 9.6276 9.6276 9.6702 9.6702 10.4989 10.4989 k = 0.3333 0.5774 0.4419 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2087 -7.2087 -5.7360 -5.7360 -5.5689 -5.5689 -5.4725 -5.4725 -5.2066 -5.2066 -4.8719 -4.8719 -4.7524 -4.7524 -4.7442 -4.7442 -4.6155 -4.6155 -4.5719 -4.5719 -4.4623 -4.4623 3.2929 3.2929 3.2989 3.2989 3.6343 3.6343 3.6964 3.6964 3.7595 3.7595 3.8770 3.8770 4.0221 4.0221 4.0633 4.0633 4.6608 4.6608 4.8233 4.8233 4.9203 4.9203 5.3496 5.3496 5.4956 5.4956 5.8657 5.8657 5.9911 5.9911 6.0735 6.0735 6.4429 6.4429 6.5562 6.5562 9.1826 9.1826 9.2082 9.2082 9.2908 9.2908 9.6230 9.6230 9.6659 9.6659 10.4457 10.4457 k = 0.3333 0.5774 0.4640 ( 10836 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2094 -7.2094 -5.7242 -5.7242 -5.5678 -5.5678 -5.4772 -5.4772 -5.2137 -5.2137 -4.8738 -4.8738 -4.7500 -4.7500 -4.7470 -4.7470 -4.6233 -4.6233 -4.5669 -4.5669 -4.4588 -4.4588 3.2900 3.2900 3.2943 3.2943 3.6325 3.6325 3.7116 3.7116 3.8002 3.8002 3.9364 3.9364 4.0085 4.0085 4.0487 4.0487 4.6409 4.6409 4.8066 4.8066 4.9044 4.9044 5.3207 5.3207 5.4720 5.4720 5.9048 5.9048 6.0281 6.0281 6.0382 6.0382 6.4527 6.4527 6.5690 6.5690 9.1769 9.1769 9.2501 9.2501 9.2897 9.2897 9.6185 9.6185 9.6620 9.6620 10.3814 10.3814 k = 0.3333 0.5774 0.4860 ( 10839 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2099 -7.2099 -5.7139 -5.7139 -5.5661 -5.5661 -5.4812 -5.4812 -5.2207 -5.2207 -4.8753 -4.8753 -4.7499 -4.7499 -4.7481 -4.7481 -4.6297 -4.6297 -4.5623 -4.5623 -4.4556 -4.4556 3.2815 3.2815 3.2941 3.2941 3.6329 3.6329 3.7254 3.7254 3.8395 3.8395 3.9745 3.9745 4.0127 4.0127 4.0371 4.0371 4.6309 4.6309 4.7906 4.7906 4.8887 4.8887 5.2485 5.2485 5.4926 5.4926 5.9343 5.9343 5.9904 5.9904 6.0824 6.0824 6.4587 6.4587 6.5769 6.5769 9.1492 9.1492 9.2329 9.2329 9.3764 9.3764 9.6144 9.6144 9.6589 9.6589 10.3078 10.3078 k = 0.3333 0.5774 0.5081 ( 10839 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2104 -7.2104 -5.7052 -5.7052 -5.5640 -5.5640 -5.4845 -5.4845 -5.2273 -5.2273 -4.8765 -4.8765 -4.7528 -4.7528 -4.7467 -4.7467 -4.6348 -4.6348 -4.5585 -4.5585 -4.4528 -4.4528 3.2738 3.2738 3.2928 3.2928 3.6344 3.6344 3.7375 3.7375 3.8757 3.8757 3.9771 3.9771 4.0282 4.0282 4.0454 4.0454 4.6348 4.6348 4.7762 4.7762 4.8741 4.8741 5.1639 5.1639 5.5272 5.5272 5.9173 5.9173 5.9961 5.9961 6.1224 6.1224 6.4612 6.4612 6.5805 6.5805 9.1259 9.1259 9.2128 9.2128 9.4692 9.4692 9.6108 9.6108 9.6573 9.6573 10.2270 10.2270 k = 0.3333 0.5774 0.5302 ( 10827 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2108 -7.2108 -5.6984 -5.6984 -5.5618 -5.5618 -5.4871 -5.4871 -5.2332 -5.2332 -4.8773 -4.8773 -4.7553 -4.7553 -4.7457 -4.7457 -4.6387 -4.6387 -4.5553 -4.5553 -4.4505 -4.4505 3.2675 3.2675 3.2911 3.2911 3.6365 3.6365 3.7474 3.7474 3.9053 3.9053 3.9782 3.9782 4.0217 4.0217 4.0714 4.0714 4.6559 4.6559 4.7640 4.7640 4.8613 4.8613 5.0774 5.0774 5.5660 5.5660 5.8749 5.8749 6.0229 6.0229 6.1565 6.1565 6.4611 6.4611 6.5809 6.5809 9.1073 9.1073 9.1963 9.1963 9.5584 9.5584 9.6078 9.6078 9.6604 9.6604 10.1410 10.1410 k = 0.3333 0.5774 0.5523 ( 10866 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2111 -7.2111 -5.6935 -5.6935 -5.5598 -5.5598 -5.4890 -5.4890 -5.2378 -5.2378 -4.8779 -4.8779 -4.7572 -4.7572 -4.7450 -4.7450 -4.6415 -4.6415 -4.5530 -4.5530 -4.4487 -4.4487 3.2628 3.2628 3.2896 3.2896 3.6384 3.6384 3.7547 3.7547 3.9235 3.9235 3.9878 3.9878 4.0174 4.0174 4.0834 4.0834 4.6948 4.6948 4.7548 4.7548 4.8507 4.8507 4.9933 4.9933 5.6052 5.6052 5.8318 5.8318 6.0459 6.0459 6.1829 6.1829 6.4596 6.4596 6.5795 6.5795 9.0937 9.0937 9.1842 9.1842 9.6055 9.6055 9.6208 9.6208 9.6911 9.6911 10.0515 10.0515 k = 0.3333 0.5774 0.5744 ( 10851 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2113 -7.2113 -5.6906 -5.6906 -5.5584 -5.5584 -5.4901 -5.4901 -5.2407 -5.2407 -4.8782 -4.8782 -4.7584 -4.7584 -4.7446 -4.7446 -4.6431 -4.6431 -4.5516 -4.5516 -4.4477 -4.4477 3.2599 3.2599 3.2885 3.2885 3.6397 3.6397 3.7592 3.7592 3.9304 3.9304 4.0025 4.0025 4.0150 4.0150 4.0845 4.0845 4.7480 4.7480 4.7490 4.7490 4.8398 4.8398 4.9182 4.9182 5.6397 5.6397 5.7948 5.7948 6.0608 6.0608 6.1997 6.1997 6.4579 6.4579 6.5778 6.5778 9.0855 9.0855 9.1768 9.1768 9.6042 9.6042 9.6343 9.6343 9.7704 9.7704 9.9604 9.9604 k = 0.3333 0.5774 0.5965 ( 10854 PWs) bands (ev): -20.5523 -20.5523 -20.5523 -20.5523 -7.2131 -7.2131 -7.2114 -7.2114 -5.6896 -5.6896 -5.5579 -5.5579 -5.4905 -5.4905 -5.2418 -5.2418 -4.8783 -4.8783 -4.7589 -4.7589 -4.7445 -4.7445 -4.6436 -4.6436 -4.5511 -4.5511 -4.4473 -4.4473 3.2589 3.2589 3.2881 3.2881 3.6401 3.6401 3.7607 3.7607 3.9320 3.9320 4.0098 4.0098 4.0142 4.0142 4.0830 4.0830 4.7470 4.7470 4.7999 4.7999 4.8137 4.8137 4.8817 4.8817 5.6559 5.6559 5.7778 5.7778 6.0660 6.0660 6.2055 6.2055 6.4572 6.4572 6.5770 6.5770 9.0828 9.0828 9.1743 9.1743 9.6037 9.6037 9.6360 9.6360 9.8437 9.8437 9.8858 9.8858 Writing output data file BaZrSe3.save init_run : 0.46s CPU 0.61s WALL ( 1 calls) electrons : 516.81s CPU 522.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 516.80s CPU 522.14s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 232 calls) cegterg : 485.14s CPU 489.45s WALL ( 642 calls) Called by sum_band: Called by *egterg: h_psi : 278.36s CPU 282.88s WALL ( 11912 calls) s_psi : 9.17s CPU 9.04s WALL ( 11912 calls) g_psi : 0.43s CPU 0.44s WALL ( 11038 calls) cdiaghg : 171.20s CPU 171.61s WALL ( 11270 calls) cegterg:over : 19.97s CPU 19.97s WALL ( 11038 calls) cegterg:upda : 15.42s CPU 15.31s WALL ( 11038 calls) cegterg:last : 7.74s CPU 7.82s WALL ( 1338 calls) cdiaghg:chol : 7.14s CPU 7.33s WALL ( 11270 calls) cdiaghg:inve : 5.15s CPU 5.05s WALL ( 11270 calls) cdiaghg:para : 9.74s CPU 9.73s WALL ( 22540 calls) Called by h_psi: h_psi:vloc : 253.80s CPU 257.88s WALL ( 11912 calls) h_psi:vnl : 24.11s CPU 24.45s WALL ( 11912 calls) add_vuspsi : 11.64s CPU 11.59s WALL ( 11912 calls) General routines calbec : 12.40s CPU 12.82s WALL ( 11912 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 247.19s CPU 250.89s WALL ( 1173972 calls) davcio : 0.24s CPU 0.48s WALL ( 464 calls) Parallel routines fft_scatter : 162.38s CPU 165.02s WALL ( 1173987 calls) PWSCF : 9m19.37s CPU 9m41.68s WALL This run was terminated on: 0: 0:37 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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