Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 2: 0:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./NbI3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 45 33 9 1913 1155 171 Max 46 34 10 1920 1185 178 Sum 3295 2383 673 137997 84311 12413 bravais-lattice index = 14 lattice parameter (alat) = 13.3982 a.u. unit-cell volume = 1874.3051 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.398157 celldm(2)= 1.000000 celldm(3)= 0.899859 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 0.899859 ) 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 1.111285 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) I 7.00 126.90450 I( 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 ) ( 0.4499295 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4499295 ) 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 ) ( 0.4499295 ) 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 ) ( 0.4499295 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4499295 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4499295 ) 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 ) ( 0.4499295 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4499295 ) 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 ) ( 0.4499295 ) 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 ) ( 0.4499295 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4499295 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4499295 ) 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= 226 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0044248 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0044248 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0044248 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0044248 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0044248 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0044248 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0044248 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0044248 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0044248 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0044248 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0044248 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0044248 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0044248 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0044248 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0044248 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0044248 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0044248 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0044248 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0044248 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0044248 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0044248 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0044248 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0044248 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0044248 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0044248 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0044248 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0044248 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0044248 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0044248 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0044248 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0044248 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0044248 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0044248 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0044248 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0044248 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0044248 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0044248 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0044248 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0044248 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0044248 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0044248 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0044248 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0044248 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0044248 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0044248 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0044248 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0044248 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0044248 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0044248 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0044248 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0044248 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0044248 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0044248 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0044248 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0044248 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0044248 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0044248 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0044248 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0044248 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0044248 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0044248 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0044248 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0044248 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0044248 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0044248 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0044248 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0044248 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0044248 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 76) = ( 0.0000000 0.0000000 0.0222257), wk = 0.0044248 k( 77) = ( 0.0000000 0.0000000 0.0444514), wk = 0.0044248 k( 78) = ( 0.0000000 0.0000000 0.0666771), wk = 0.0044248 k( 79) = ( 0.0000000 0.0000000 0.0889028), wk = 0.0044248 k( 80) = ( 0.0000000 0.0000000 0.1111285), wk = 0.0044248 k( 81) = ( 0.0000000 0.0000000 0.1333542), wk = 0.0044248 k( 82) = ( 0.0000000 0.0000000 0.1555799), wk = 0.0044248 k( 83) = ( 0.0000000 0.0000000 0.1778056), wk = 0.0044248 k( 84) = ( 0.0000000 0.0000000 0.2000313), wk = 0.0044248 k( 85) = ( 0.0000000 0.0000000 0.2222571), wk = 0.0044248 k( 86) = ( 0.0000000 0.0000000 0.2444828), wk = 0.0044248 k( 87) = ( 0.0000000 0.0000000 0.2667085), wk = 0.0044248 k( 88) = ( 0.0000000 0.0000000 0.2889342), wk = 0.0044248 k( 89) = ( 0.0000000 0.0000000 0.3111599), wk = 0.0044248 k( 90) = ( 0.0000000 0.0000000 0.3333856), wk = 0.0044248 k( 91) = ( 0.0000000 0.0000000 0.3556113), wk = 0.0044248 k( 92) = ( 0.0000000 0.0000000 0.3778370), wk = 0.0044248 k( 93) = ( 0.0000000 0.0000000 0.4000627), wk = 0.0044248 k( 94) = ( 0.0000000 0.0000000 0.4222884), wk = 0.0044248 k( 95) = ( 0.0000000 0.0000000 0.4445141), wk = 0.0044248 k( 96) = ( 0.0000000 0.0000000 0.4667398), wk = 0.0044248 k( 97) = ( 0.0000000 0.0000000 0.4889655), wk = 0.0044248 k( 98) = ( 0.0000000 0.0000000 0.5111912), wk = 0.0044248 k( 99) = ( 0.0000000 0.0000000 0.5334169), wk = 0.0044248 k( 100) = ( 0.0000000 0.0000000 0.5556426), wk = 0.0044248 k( 101) = ( 0.0000000 0.0000000 0.5556426), wk = 0.0044248 k( 102) = ( 0.0192308 0.0111029 0.5556426), wk = 0.0044248 k( 103) = ( 0.0384615 0.0222058 0.5556426), wk = 0.0044248 k( 104) = ( 0.0576923 0.0333087 0.5556426), wk = 0.0044248 k( 105) = ( 0.0769231 0.0444116 0.5556426), wk = 0.0044248 k( 106) = ( 0.0961538 0.0555145 0.5556426), wk = 0.0044248 k( 107) = ( 0.1153846 0.0666173 0.5556426), wk = 0.0044248 k( 108) = ( 0.1346154 0.0777202 0.5556426), wk = 0.0044248 k( 109) = ( 0.1538461 0.0888231 0.5556426), wk = 0.0044248 k( 110) = ( 0.1730769 0.0999260 0.5556426), wk = 0.0044248 k( 111) = ( 0.1923077 0.1110289 0.5556426), wk = 0.0044248 k( 112) = ( 0.2115385 0.1221318 0.5556426), wk = 0.0044248 k( 113) = ( 0.2307692 0.1332347 0.5556426), wk = 0.0044248 k( 114) = ( 0.2500000 0.1443376 0.5556426), wk = 0.0044248 k( 115) = ( 0.2692308 0.1554405 0.5556426), wk = 0.0044248 k( 116) = ( 0.2884615 0.1665433 0.5556426), wk = 0.0044248 k( 117) = ( 0.3076923 0.1776462 0.5556426), wk = 0.0044248 k( 118) = ( 0.3269231 0.1887491 0.5556426), wk = 0.0044248 k( 119) = ( 0.3461538 0.1998520 0.5556426), wk = 0.0044248 k( 120) = ( 0.3653846 0.2109549 0.5556426), wk = 0.0044248 k( 121) = ( 0.3846154 0.2220578 0.5556426), wk = 0.0044248 k( 122) = ( 0.4038462 0.2331607 0.5556426), wk = 0.0044248 k( 123) = ( 0.4230769 0.2442636 0.5556426), wk = 0.0044248 k( 124) = ( 0.4423077 0.2553665 0.5556426), wk = 0.0044248 k( 125) = ( 0.4615385 0.2664694 0.5556426), wk = 0.0044248 k( 126) = ( 0.4807692 0.2775722 0.5556426), wk = 0.0044248 k( 127) = ( 0.5000000 0.2886751 0.5556426), wk = 0.0044248 k( 128) = ( 0.5000000 0.2886751 0.5556426), wk = 0.0044248 k( 129) = ( 0.4888889 0.3079201 0.5556426), wk = 0.0044248 k( 130) = ( 0.4777778 0.3271651 0.5556426), wk = 0.0044248 k( 131) = ( 0.4666667 0.3464102 0.5556426), wk = 0.0044248 k( 132) = ( 0.4555556 0.3656552 0.5556426), wk = 0.0044248 k( 133) = ( 0.4444444 0.3849002 0.5556426), wk = 0.0044248 k( 134) = ( 0.4333333 0.4041452 0.5556426), wk = 0.0044248 k( 135) = ( 0.4222222 0.4233902 0.5556426), wk = 0.0044248 k( 136) = ( 0.4111111 0.4426352 0.5556426), wk = 0.0044248 k( 137) = ( 0.4000000 0.4618802 0.5556426), wk = 0.0044248 k( 138) = ( 0.3888889 0.4811252 0.5556426), wk = 0.0044248 k( 139) = ( 0.3777778 0.5003702 0.5556426), wk = 0.0044248 k( 140) = ( 0.3666667 0.5196152 0.5556426), wk = 0.0044248 k( 141) = ( 0.3555556 0.5388603 0.5556426), wk = 0.0044248 k( 142) = ( 0.3444444 0.5581053 0.5556426), wk = 0.0044248 k( 143) = ( 0.3333333 0.5773503 0.5556426), wk = 0.0044248 k( 144) = ( 0.3333333 0.5773503 0.5556426), wk = 0.0044248 k( 145) = ( 0.3222222 0.5581053 0.5556426), wk = 0.0044248 k( 146) = ( 0.3111111 0.5388602 0.5556426), wk = 0.0044248 k( 147) = ( 0.3000000 0.5196152 0.5556426), wk = 0.0044248 k( 148) = ( 0.2888889 0.5003702 0.5556426), wk = 0.0044248 k( 149) = ( 0.2777778 0.4811252 0.5556426), wk = 0.0044248 k( 150) = ( 0.2666667 0.4618802 0.5556426), wk = 0.0044248 k( 151) = ( 0.2555556 0.4426352 0.5556426), wk = 0.0044248 k( 152) = ( 0.2444444 0.4233902 0.5556426), wk = 0.0044248 k( 153) = ( 0.2333333 0.4041452 0.5556426), wk = 0.0044248 k( 154) = ( 0.2222222 0.3849002 0.5556426), wk = 0.0044248 k( 155) = ( 0.2111111 0.3656552 0.5556426), wk = 0.0044248 k( 156) = ( 0.2000000 0.3464102 0.5556426), wk = 0.0044248 k( 157) = ( 0.1888889 0.3271652 0.5556426), wk = 0.0044248 k( 158) = ( 0.1777778 0.3079201 0.5556426), wk = 0.0044248 k( 159) = ( 0.1666667 0.2886751 0.5556426), wk = 0.0044248 k( 160) = ( 0.1555556 0.2694301 0.5556426), wk = 0.0044248 k( 161) = ( 0.1444444 0.2501851 0.5556426), wk = 0.0044248 k( 162) = ( 0.1333333 0.2309401 0.5556426), wk = 0.0044248 k( 163) = ( 0.1222222 0.2116951 0.5556426), wk = 0.0044248 k( 164) = ( 0.1111111 0.1924501 0.5556426), wk = 0.0044248 k( 165) = ( 0.1000000 0.1732051 0.5556426), wk = 0.0044248 k( 166) = ( 0.0888889 0.1539601 0.5556426), wk = 0.0044248 k( 167) = ( 0.0777778 0.1347151 0.5556426), wk = 0.0044248 k( 168) = ( 0.0666667 0.1154701 0.5556426), wk = 0.0044248 k( 169) = ( 0.0555556 0.0962251 0.5556426), wk = 0.0044248 k( 170) = ( 0.0444444 0.0769800 0.5556426), wk = 0.0044248 k( 171) = ( 0.0333333 0.0577350 0.5556426), wk = 0.0044248 k( 172) = ( 0.0222222 0.0384900 0.5556426), wk = 0.0044248 k( 173) = ( 0.0111111 0.0192450 0.5556426), wk = 0.0044248 k( 174) = ( 0.0000000 0.0000000 0.5556426), wk = 0.0044248 k( 175) = ( 0.5000000 0.2886751 0.5556426), wk = 0.0044248 k( 176) = ( 0.5000000 0.2886751 0.5334169), wk = 0.0044248 k( 177) = ( 0.5000000 0.2886751 0.5111912), wk = 0.0044248 k( 178) = ( 0.5000000 0.2886751 0.4889655), wk = 0.0044248 k( 179) = ( 0.5000000 0.2886751 0.4667398), wk = 0.0044248 k( 180) = ( 0.5000000 0.2886751 0.4445141), wk = 0.0044248 k( 181) = ( 0.5000000 0.2886751 0.4222884), wk = 0.0044248 k( 182) = ( 0.5000000 0.2886751 0.4000627), wk = 0.0044248 k( 183) = ( 0.5000000 0.2886751 0.3778370), wk = 0.0044248 k( 184) = ( 0.5000000 0.2886751 0.3556113), wk = 0.0044248 k( 185) = ( 0.5000000 0.2886751 0.3333856), wk = 0.0044248 k( 186) = ( 0.5000000 0.2886751 0.3111599), wk = 0.0044248 k( 187) = ( 0.5000000 0.2886751 0.2889342), wk = 0.0044248 k( 188) = ( 0.5000000 0.2886751 0.2667085), wk = 0.0044248 k( 189) = ( 0.5000000 0.2886751 0.2444828), wk = 0.0044248 k( 190) = ( 0.5000000 0.2886751 0.2222571), wk = 0.0044248 k( 191) = ( 0.5000000 0.2886751 0.2000313), wk = 0.0044248 k( 192) = ( 0.5000000 0.2886751 0.1778056), wk = 0.0044248 k( 193) = ( 0.5000000 0.2886751 0.1555799), wk = 0.0044248 k( 194) = ( 0.5000000 0.2886751 0.1333542), wk = 0.0044248 k( 195) = ( 0.5000000 0.2886751 0.1111285), wk = 0.0044248 k( 196) = ( 0.5000000 0.2886751 0.0889028), wk = 0.0044248 k( 197) = ( 0.5000000 0.2886751 0.0666771), wk = 0.0044248 k( 198) = ( 0.5000000 0.2886751 0.0444514), wk = 0.0044248 k( 199) = ( 0.5000000 0.2886751 0.0222257), wk = 0.0044248 k( 200) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0044248 k( 201) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0044248 k( 202) = ( 0.3333333 0.5773503 0.0222257), wk = 0.0044248 k( 203) = ( 0.3333333 0.5773503 0.0444514), wk = 0.0044248 k( 204) = ( 0.3333333 0.5773503 0.0666771), wk = 0.0044248 k( 205) = ( 0.3333333 0.5773503 0.0889028), wk = 0.0044248 k( 206) = ( 0.3333333 0.5773503 0.1111285), wk = 0.0044248 k( 207) = ( 0.3333333 0.5773503 0.1333542), wk = 0.0044248 k( 208) = ( 0.3333333 0.5773503 0.1555799), wk = 0.0044248 k( 209) = ( 0.3333333 0.5773503 0.1778056), wk = 0.0044248 k( 210) = ( 0.3333333 0.5773503 0.2000313), wk = 0.0044248 k( 211) = ( 0.3333333 0.5773503 0.2222571), wk = 0.0044248 k( 212) = ( 0.3333333 0.5773503 0.2444828), wk = 0.0044248 k( 213) = ( 0.3333333 0.5773503 0.2667085), wk = 0.0044248 k( 214) = ( 0.3333333 0.5773503 0.2889342), wk = 0.0044248 k( 215) = ( 0.3333333 0.5773503 0.3111599), wk = 0.0044248 k( 216) = ( 0.3333333 0.5773503 0.3333856), wk = 0.0044248 k( 217) = ( 0.3333333 0.5773503 0.3556113), wk = 0.0044248 k( 218) = ( 0.3333333 0.5773503 0.3778370), wk = 0.0044248 k( 219) = ( 0.3333333 0.5773503 0.4000627), wk = 0.0044248 k( 220) = ( 0.3333333 0.5773503 0.4222884), wk = 0.0044248 k( 221) = ( 0.3333333 0.5773503 0.4445141), wk = 0.0044248 k( 222) = ( 0.3333333 0.5773503 0.4667398), wk = 0.0044248 k( 223) = ( 0.3333333 0.5773503 0.4889655), wk = 0.0044248 k( 224) = ( 0.3333333 0.5773503 0.5111912), wk = 0.0044248 k( 225) = ( 0.3333333 0.5773503 0.5334169), wk = 0.0044248 k( 226) = ( 0.3333333 0.5773503 0.5556426), wk = 0.0044248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 2) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0044248 k( 3) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0044248 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0044248 k( 5) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0044248 k( 6) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0044248 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0044248 k( 8) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0044248 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0044248 k( 10) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0044248 k( 11) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0044248 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0044248 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0044248 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0044248 k( 15) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0044248 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0044248 k( 17) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0044248 k( 18) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0044248 k( 19) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0044248 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0044248 k( 21) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0044248 k( 22) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0044248 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0044248 k( 24) = ( 0.4423077 -0.0000000 0.0000000), wk = 0.0044248 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0044248 k( 26) = ( 0.4807692 0.0000000 -0.0000000), wk = 0.0044248 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0044248 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0044248 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0044248 k( 30) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0044248 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0044248 k( 32) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0044248 k( 33) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0044248 k( 34) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0044248 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0044248 k( 36) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0044248 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0044248 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0044248 k( 39) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0044248 k( 40) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0044248 k( 41) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0044248 k( 42) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0044248 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 44) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 45) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0044248 k( 46) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0044248 k( 47) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0044248 k( 48) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0044248 k( 49) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0044248 k( 50) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0044248 k( 51) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0044248 k( 52) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0044248 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0044248 k( 54) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0044248 k( 55) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0044248 k( 56) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0044248 k( 57) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0044248 k( 58) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0044248 k( 59) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0044248 k( 60) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0044248 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0044248 k( 62) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0044248 k( 63) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0044248 k( 64) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0044248 k( 65) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0044248 k( 66) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0044248 k( 67) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0044248 k( 68) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0044248 k( 69) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0044248 k( 70) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0044248 k( 71) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0044248 k( 72) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0044248 k( 73) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0044248 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044248 k( 76) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0044248 k( 77) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0044248 k( 78) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0044248 k( 79) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0044248 k( 80) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0044248 k( 81) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0044248 k( 82) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0044248 k( 83) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0044248 k( 84) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0044248 k( 85) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0044248 k( 86) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0044248 k( 87) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0044248 k( 88) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0044248 k( 89) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0044248 k( 90) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0044248 k( 91) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0044248 k( 92) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0044248 k( 93) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0044248 k( 94) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0044248 k( 95) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0044248 k( 96) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0044248 k( 97) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0044248 k( 98) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0044248 k( 99) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0044248 k( 100) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 102) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0044248 k( 103) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0044248 k( 104) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0044248 k( 105) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0044248 k( 106) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0044248 k( 107) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0044248 k( 108) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0044248 k( 109) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0044248 k( 110) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0044248 k( 111) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0044248 k( 112) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0044248 k( 113) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0044248 k( 114) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0044248 k( 115) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0044248 k( 116) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0044248 k( 117) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0044248 k( 118) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0044248 k( 119) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0044248 k( 120) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0044248 k( 121) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0044248 k( 122) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0044248 k( 123) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0044248 k( 124) = ( 0.4423077 -0.0000000 0.5000000), wk = 0.0044248 k( 125) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0044248 k( 126) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0044248 k( 127) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044248 k( 128) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044248 k( 129) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0044248 k( 130) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0044248 k( 131) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0044248 k( 132) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0044248 k( 133) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0044248 k( 134) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0044248 k( 135) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0044248 k( 136) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0044248 k( 137) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0044248 k( 138) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0044248 k( 139) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0044248 k( 140) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0044248 k( 141) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0044248 k( 142) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0044248 k( 143) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 k( 144) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 k( 145) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0044248 k( 146) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0044248 k( 147) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0044248 k( 148) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0044248 k( 149) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0044248 k( 150) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0044248 k( 151) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0044248 k( 152) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0044248 k( 153) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0044248 k( 154) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0044248 k( 155) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0044248 k( 156) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0044248 k( 157) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0044248 k( 158) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0044248 k( 159) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0044248 k( 160) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0044248 k( 161) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0044248 k( 162) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0044248 k( 163) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0044248 k( 164) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0044248 k( 165) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0044248 k( 166) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0044248 k( 167) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0044248 k( 168) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0044248 k( 169) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0044248 k( 170) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0044248 k( 171) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0044248 k( 172) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0044248 k( 173) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0044248 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044248 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0044248 k( 176) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0044248 k( 177) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0044248 k( 178) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0044248 k( 179) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0044248 k( 180) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0044248 k( 181) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0044248 k( 182) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0044248 k( 183) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0044248 k( 184) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0044248 k( 185) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0044248 k( 186) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0044248 k( 187) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0044248 k( 188) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0044248 k( 189) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0044248 k( 190) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0044248 k( 191) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0044248 k( 192) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0044248 k( 193) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0044248 k( 194) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0044248 k( 195) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0044248 k( 196) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0044248 k( 197) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0044248 k( 198) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0044248 k( 199) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0044248 k( 200) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0044248 k( 201) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0044248 k( 202) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0044248 k( 203) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0044248 k( 204) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0044248 k( 205) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0044248 k( 206) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0044248 k( 207) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0044248 k( 208) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0044248 k( 209) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0044248 k( 210) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0044248 k( 211) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0044248 k( 212) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0044248 k( 213) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0044248 k( 214) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0044248 k( 215) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0044248 k( 216) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0044248 k( 217) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0044248 k( 218) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0044248 k( 219) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0044248 k( 220) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0044248 k( 221) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0044248 k( 222) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0044248 k( 223) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0044248 k( 224) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0044248 k( 225) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0044248 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0044248 Dense grid: 137997 G-vectors FFT dimensions: ( 72, 72, 64) Smooth grid: 84311 G-vectors FFT dimensions: ( 60, 60, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 300, 82) NL pseudopotentials 0.62 Mb ( 150, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1918) G-vector shells 0.01 Mb ( 887) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.50 Mb ( 300, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.68 Mb ( 272, 2, 82) The potential is recalculated from file : ./NbI3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.3 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 14.9 secs Computing kpt #: 11 total cpu time spent up to now is 16.2 secs Computing kpt #: 12 total cpu time spent up to now is 17.5 secs Computing kpt #: 13 total cpu time spent up to now is 18.9 secs Computing kpt #: 14 total cpu time spent up to now is 20.3 secs Computing kpt #: 15 total cpu time spent up to now is 21.6 secs Computing kpt #: 16 total cpu time spent up to now is 22.9 secs Computing kpt #: 17 total cpu time spent up to now is 24.2 secs Computing kpt #: 18 total cpu time spent up to now is 25.4 secs Computing kpt #: 19 total cpu time spent up to now is 26.6 secs Computing kpt #: 20 total cpu time spent up to now is 27.9 secs Computing kpt #: 21 total cpu time spent up to now is 29.2 secs Computing kpt #: 22 total cpu time spent up to now is 30.4 secs Computing kpt #: 23 total cpu time spent up to now is 31.7 secs Computing kpt #: 24 total cpu time spent up to now is 32.9 secs Computing kpt #: 25 total cpu time spent up to now is 34.1 secs Computing kpt #: 26 total cpu time spent up to now is 35.3 secs Computing kpt #: 27 total cpu time spent up to now is 36.5 secs Computing kpt #: 28 total cpu time spent up to now is 37.6 secs Computing kpt #: 29 total cpu time spent up to now is 38.8 secs Computing kpt #: 30 total cpu time spent up to now is 40.0 secs Computing kpt #: 31 total cpu time spent up to now is 41.2 secs Computing kpt #: 32 total cpu time spent up to now is 42.4 secs Computing kpt #: 33 total cpu time spent up to now is 43.6 secs Computing kpt #: 34 total cpu time spent up to now is 44.9 secs Computing kpt #: 35 total cpu time spent up to now is 46.1 secs Computing kpt #: 36 total cpu time spent up to now is 47.3 secs Computing kpt #: 37 total cpu time spent up to now is 48.6 secs Computing kpt #: 38 total cpu time spent up to now is 49.8 secs Computing kpt #: 39 total cpu time spent up to now is 51.1 secs Computing kpt #: 40 total cpu time spent up to now is 52.3 secs Computing kpt #: 41 total cpu time spent up to now is 53.6 secs Computing kpt #: 42 total cpu time spent up to now is 54.9 secs Computing kpt #: 43 total cpu time spent up to now is 56.4 secs Computing kpt #: 44 total cpu time spent up to now is 57.9 secs Computing kpt #: 45 total cpu time spent up to now is 59.4 secs Computing kpt #: 46 total cpu time spent up to now is 60.7 secs Computing kpt #: 47 total cpu time spent up to now is 61.9 secs Computing kpt #: 48 total cpu time spent up to now is 63.2 secs Computing kpt #: 49 total cpu time spent up to now is 64.5 secs Computing kpt #: 50 total cpu time spent up to now is 65.7 secs Computing kpt #: 51 total cpu time spent up to now is 67.0 secs Computing kpt #: 52 total cpu time spent up to now is 68.2 secs Computing kpt #: 53 total cpu time spent up to now is 69.5 secs Computing kpt #: 54 total cpu time spent up to now is 71.1 secs Computing kpt #: 55 total cpu time spent up to now is 72.6 secs Computing kpt #: 56 total cpu time spent up to now is 74.1 secs Computing kpt #: 57 total cpu time spent up to now is 75.9 secs Computing kpt #: 58 total cpu time spent up to now is 77.4 secs Computing kpt #: 59 total cpu time spent up to now is 78.9 secs Computing kpt #: 60 total cpu time spent up to now is 80.4 secs Computing kpt #: 61 total cpu time spent up to now is 81.7 secs Computing kpt #: 62 total cpu time spent up to now is 83.0 secs Computing kpt #: 63 total cpu time spent up to now is 84.4 secs Computing kpt #: 64 total cpu time spent up to now is 85.7 secs Computing kpt #: 65 total cpu time spent up to now is 87.0 secs Computing kpt #: 66 total cpu time spent up to now is 88.3 secs Computing kpt #: 67 total cpu time spent up to now is 89.6 secs Computing kpt #: 68 total cpu time spent up to now is 90.9 secs Computing kpt #: 69 total cpu time spent up to now is 92.2 secs Computing kpt #: 70 total cpu time spent up to now is 93.5 secs Computing kpt #: 71 total cpu time spent up to now is 94.7 secs Computing kpt #: 72 total cpu time spent up to now is 96.0 secs Computing kpt #: 73 total cpu time spent up to now is 97.2 secs Computing kpt #: 74 total cpu time spent up to now is 98.5 secs Computing kpt #: 75 total cpu time spent up to now is 99.7 secs Computing kpt #: 76 total cpu time spent up to now is 101.0 secs Computing kpt #: 77 total cpu time spent up to now is 102.2 secs Computing kpt #: 78 total cpu time spent up to now is 103.5 secs Computing kpt #: 79 total cpu time spent up to now is 104.7 secs Computing kpt #: 80 total cpu time spent up to now is 106.0 secs Computing kpt #: 81 total cpu time spent up to now is 107.2 secs Computing kpt #: 82 total cpu time spent up to now is 108.4 secs Computing kpt #: 83 total cpu time spent up to now is 109.7 secs Computing kpt #: 84 total cpu time spent up to now is 112.8 secs Computing kpt #: 85 total cpu time spent up to now is 114.0 secs Computing kpt #: 86 total cpu time spent up to now is 115.3 secs Computing kpt #: 87 total cpu time spent up to now is 116.6 secs Computing kpt #: 88 total cpu time spent up to now is 117.8 secs Computing kpt #: 89 total cpu time spent up to now is 119.1 secs Computing kpt #: 90 total cpu time spent up to now is 120.4 secs Computing kpt #: 91 total cpu time spent up to now is 121.6 secs Computing kpt #: 92 total cpu time spent up to now is 122.9 secs Computing kpt #: 93 total cpu time spent up to now is 124.2 secs Computing kpt #: 94 total cpu time spent up to now is 125.4 secs Computing kpt #: 95 total cpu time spent up to now is 126.7 secs Computing kpt #: 96 total cpu time spent up to now is 128.0 secs Computing kpt #: 97 total cpu time spent up to now is 129.3 secs Computing kpt #: 98 total cpu time spent up to now is 130.6 secs Computing kpt #: 99 total cpu time spent up to now is 131.9 secs Computing kpt #: 100 total cpu time spent up to now is 133.2 secs Computing kpt #: 101 total cpu time spent up to now is 134.6 secs Computing kpt #: 102 total cpu time spent up to now is 136.1 secs Computing kpt #: 103 total cpu time spent up to now is 137.6 secs Computing kpt #: 104 total cpu time spent up to now is 139.1 secs Computing kpt #: 105 total cpu time spent up to now is 140.6 secs Computing kpt #: 106 total cpu time spent up to now is 142.1 secs Computing kpt #: 107 total cpu time spent up to now is 143.4 secs Computing kpt #: 108 total cpu time spent up to now is 144.7 secs Computing kpt #: 109 total cpu time spent up to now is 146.1 secs Computing kpt #: 110 total cpu time spent up to now is 147.4 secs Computing kpt #: 111 total cpu time spent up to now is 148.7 secs Computing kpt #: 112 total cpu time spent up to now is 150.1 secs Computing kpt #: 113 total cpu time spent up to now is 151.3 secs Computing kpt #: 114 total cpu time spent up to now is 152.6 secs Computing kpt #: 115 total cpu time spent up to now is 153.9 secs Computing kpt #: 116 total cpu time spent up to now is 155.3 secs Computing kpt #: 117 total cpu time spent up to now is 156.6 secs Computing kpt #: 118 total cpu time spent up to now is 157.9 secs Computing kpt #: 119 total cpu time spent up to now is 159.2 secs Computing kpt #: 120 total cpu time spent up to now is 160.5 secs Computing kpt #: 121 total cpu time spent up to now is 161.9 secs Computing kpt #: 122 total cpu time spent up to now is 163.2 secs Computing kpt #: 123 total cpu time spent up to now is 164.5 secs Computing kpt #: 124 total cpu time spent up to now is 165.9 secs Computing kpt #: 125 total cpu time spent up to now is 167.2 secs Computing kpt #: 126 total cpu time spent up to now is 168.5 secs Computing kpt #: 127 total cpu time spent up to now is 169.8 secs Computing kpt #: 128 total cpu time spent up to now is 171.0 secs Computing kpt #: 129 total cpu time spent up to now is 172.2 secs Computing kpt #: 130 total cpu time spent up to now is 173.4 secs Computing kpt #: 131 total cpu time spent up to now is 174.6 secs Computing kpt #: 132 total cpu time spent up to now is 175.9 secs Computing kpt #: 133 total cpu time spent up to now is 177.1 secs Computing kpt #: 134 total cpu time spent up to now is 178.3 secs Computing kpt #: 135 total cpu time spent up to now is 179.6 secs Computing kpt #: 136 total cpu time spent up to now is 180.8 secs Computing kpt #: 137 total cpu time spent up to now is 182.1 secs Computing kpt #: 138 total cpu time spent up to now is 183.4 secs Computing kpt #: 139 total cpu time spent up to now is 184.6 secs Computing kpt #: 140 total cpu time spent up to now is 185.9 secs Computing kpt #: 141 total cpu time spent up to now is 187.2 secs Computing kpt #: 142 total cpu time spent up to now is 188.4 secs Computing kpt #: 143 total cpu time spent up to now is 189.7 secs Computing kpt #: 144 total cpu time spent up to now is 191.0 secs Computing kpt #: 145 total cpu time spent up to now is 192.3 secs Computing kpt #: 146 total cpu time spent up to now is 193.5 secs Computing kpt #: 147 total cpu time spent up to now is 194.8 secs Computing kpt #: 148 total cpu time spent up to now is 196.1 secs Computing kpt #: 149 total cpu time spent up to now is 197.3 secs Computing kpt #: 150 total cpu time spent up to now is 198.5 secs Computing kpt #: 151 total cpu time spent up to now is 199.8 secs Computing kpt #: 152 total cpu time spent up to now is 201.0 secs Computing kpt #: 153 total cpu time spent up to now is 202.3 secs Computing kpt #: 154 total cpu time spent up to now is 203.5 secs Computing kpt #: 155 total cpu time spent up to now is 205.1 secs Computing kpt #: 156 total cpu time spent up to now is 206.3 secs Computing kpt #: 157 total cpu time spent up to now is 207.5 secs Computing kpt #: 158 total cpu time spent up to now is 208.8 secs Computing kpt #: 159 total cpu time spent up to now is 210.0 secs Computing kpt #: 160 total cpu time spent up to now is 211.2 secs Computing kpt #: 161 total cpu time spent up to now is 212.5 secs Computing kpt #: 162 total cpu time spent up to now is 213.7 secs Computing kpt #: 163 total cpu time spent up to now is 215.0 secs Computing kpt #: 164 total cpu time spent up to now is 216.2 secs Computing kpt #: 165 total cpu time spent up to now is 217.5 secs Computing kpt #: 166 total cpu time spent up to now is 218.7 secs Computing kpt #: 167 total cpu time spent up to now is 219.9 secs Computing kpt #: 168 total cpu time spent up to now is 221.2 secs Computing kpt #: 169 total cpu time spent up to now is 222.5 secs Computing kpt #: 170 total cpu time spent up to now is 223.7 secs Computing kpt #: 171 total cpu time spent up to now is 225.2 secs Computing kpt #: 172 total cpu time spent up to now is 226.4 secs Computing kpt #: 173 total cpu time spent up to now is 227.7 secs Computing kpt #: 174 total cpu time spent up to now is 229.2 secs Computing kpt #: 175 total cpu time spent up to now is 230.4 secs Computing kpt #: 176 total cpu time spent up to now is 231.6 secs Computing kpt #: 177 total cpu time spent up to now is 232.9 secs Computing kpt #: 178 total cpu time spent up to now is 234.2 secs Computing kpt #: 179 total cpu time spent up to now is 235.4 secs Computing kpt #: 180 total cpu time spent up to now is 236.6 secs Computing kpt #: 181 total cpu time spent up to now is 237.9 secs Computing kpt #: 182 total cpu time spent up to now is 239.1 secs Computing kpt #: 183 total cpu time spent up to now is 240.4 secs Computing kpt #: 184 total cpu time spent up to now is 241.6 secs Computing kpt #: 185 total cpu time spent up to now is 242.9 secs Computing kpt #: 186 total cpu time spent up to now is 244.4 secs Computing kpt #: 187 total cpu time spent up to now is 245.7 secs Computing kpt #: 188 total cpu time spent up to now is 247.0 secs Computing kpt #: 189 total cpu time spent up to now is 248.3 secs Computing kpt #: 190 total cpu time spent up to now is 249.5 secs Computing kpt #: 191 total cpu time spent up to now is 250.8 secs Computing kpt #: 192 total cpu time spent up to now is 252.0 secs Computing kpt #: 193 total cpu time spent up to now is 253.2 secs Computing kpt #: 194 total cpu time spent up to now is 254.4 secs Computing kpt #: 195 total cpu time spent up to now is 255.6 secs Computing kpt #: 196 total cpu time spent up to now is 256.8 secs Computing kpt #: 197 total cpu time spent up to now is 258.0 secs Computing kpt #: 198 total cpu time spent up to now is 259.2 secs Computing kpt #: 199 total cpu time spent up to now is 260.4 secs Computing kpt #: 200 total cpu time spent up to now is 261.6 secs Computing kpt #: 201 total cpu time spent up to now is 263.0 secs Computing kpt #: 202 total cpu time spent up to now is 264.3 secs Computing kpt #: 203 total cpu time spent up to now is 265.6 secs Computing kpt #: 204 total cpu time spent up to now is 266.9 secs Computing kpt #: 205 total cpu time spent up to now is 268.3 secs Computing kpt #: 206 total cpu time spent up to now is 269.6 secs Computing kpt #: 207 total cpu time spent up to now is 270.9 secs Computing kpt #: 208 total cpu time spent up to now is 272.4 secs Computing kpt #: 209 total cpu time spent up to now is 273.9 secs Computing kpt #: 210 total cpu time spent up to now is 275.5 secs Computing kpt #: 211 total cpu time spent up to now is 277.0 secs Computing kpt #: 212 total cpu time spent up to now is 278.5 secs Computing kpt #: 213 total cpu time spent up to now is 280.0 secs Computing kpt #: 214 total cpu time spent up to now is 281.3 secs Computing kpt #: 215 total cpu time spent up to now is 282.6 secs Computing kpt #: 216 total cpu time spent up to now is 283.9 secs Computing kpt #: 217 total cpu time spent up to now is 285.3 secs Computing kpt #: 218 total cpu time spent up to now is 286.6 secs Computing kpt #: 219 total cpu time spent up to now is 287.9 secs Computing kpt #: 220 total cpu time spent up to now is 289.2 secs Computing kpt #: 221 total cpu time spent up to now is 290.5 secs Computing kpt #: 222 total cpu time spent up to now is 291.8 secs Computing kpt #: 223 total cpu time spent up to now is 293.1 secs Computing kpt #: 224 total cpu time spent up to now is 294.4 secs Computing kpt #: 225 total cpu time spent up to now is 295.7 secs Computing kpt #: 226 total cpu time spent up to now is 297.0 secs ethr = 1.47E-08, avg # of iterations = 18.4 total cpu time spent up to now is 297.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10521 PWs) bands (ev): -48.9738 -48.9738 -48.9425 -48.9425 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4569 -24.4569 -24.3131 -24.3131 -7.6187 -7.6187 -6.6541 -6.6541 -6.6531 -6.6531 -6.5225 -6.5225 -6.5106 -6.5106 -6.4996 -6.4996 0.6600 0.6600 0.8011 0.8011 1.1803 1.1803 1.6236 1.6236 2.3539 2.3539 2.3683 2.3683 2.5784 2.5784 2.6440 2.6440 3.1088 3.1088 3.1178 3.1178 3.1201 3.1201 3.2772 3.2772 3.3442 3.3442 3.5350 3.5350 4.1586 4.1586 4.2803 4.2803 5.0673 5.0673 5.3358 5.3358 5.5094 5.5094 6.9488 6.9488 6.9547 6.9547 7.2247 7.2247 7.3260 7.3260 8.1460 8.1460 8.2049 8.2049 8.5582 8.5582 9.3524 9.3524 k = 0.0192 0.0111-0.0000 ( 10529 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6181 -7.6181 -6.6543 -6.6543 -6.6533 -6.6533 -6.5229 -6.5229 -6.5103 -6.5103 -6.5000 -6.5000 0.6610 0.6610 0.8020 0.8020 1.1810 1.1810 1.6240 1.6240 2.3541 2.3541 2.3674 2.3674 2.5795 2.5795 2.6445 2.6445 3.1071 3.1071 3.1172 3.1172 3.1199 3.1199 3.2778 3.2778 3.3436 3.3436 3.5359 3.5359 4.1549 4.1549 4.2840 4.2840 5.0653 5.0653 5.3338 5.3338 5.5071 5.5071 6.9487 6.9487 6.9547 6.9547 7.2241 7.2241 7.3255 7.3255 8.1478 8.1478 8.2067 8.2067 8.5602 8.5602 9.3530 9.3530 k = 0.0385 0.0222-0.0000 ( 10543 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6163 -7.6163 -6.6549 -6.6549 -6.6540 -6.6540 -6.5242 -6.5242 -6.5093 -6.5093 -6.5012 -6.5012 0.6639 0.6639 0.8046 0.8046 1.1829 1.1829 1.6249 1.6249 2.3541 2.3541 2.3650 2.3650 2.5826 2.5826 2.6457 2.6457 3.1019 3.1019 3.1136 3.1136 3.1211 3.1211 3.2795 3.2795 3.3417 3.3417 3.5385 3.5385 4.1441 4.1441 4.2946 4.2946 5.0590 5.0590 5.3278 5.3278 5.5006 5.5006 6.9484 6.9484 6.9546 6.9546 7.2224 7.2224 7.3241 7.3241 8.1529 8.1529 8.2125 8.2125 8.5663 8.5663 9.3549 9.3549 k = 0.0577 0.0333-0.0000 ( 10529 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6132 -7.6132 -6.6559 -6.6559 -6.6550 -6.6550 -6.5264 -6.5264 -6.5083 -6.5083 -6.5026 -6.5026 0.6687 0.6687 0.8090 0.8090 1.1861 1.1861 1.6267 1.6267 2.3525 2.3525 2.3627 2.3627 2.5874 2.5874 2.6479 2.6479 3.0932 3.0932 3.1074 3.1074 3.1235 3.1235 3.2824 3.2824 3.3390 3.3390 3.5427 3.5427 4.1276 4.1276 4.3107 4.3107 5.0484 5.0484 5.3185 5.3185 5.4900 5.4900 6.9480 6.9480 6.9545 6.9545 7.2191 7.2191 7.3219 7.3219 8.1602 8.1602 8.2228 8.2228 8.5766 8.5766 9.3580 9.3580 k = 0.0769 0.0444-0.0000 ( 10517 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6089 -7.6089 -6.6576 -6.6576 -6.6562 -6.6562 -6.5298 -6.5298 -6.5090 -6.5090 -6.5022 -6.5022 0.6752 0.6752 0.8151 0.8151 1.1906 1.1906 1.6295 1.6295 2.3473 2.3473 2.3625 2.3625 2.5935 2.5935 2.6511 2.6511 3.0808 3.0808 3.0993 3.0993 3.1265 3.1265 3.2864 3.2864 3.3354 3.3354 3.5484 3.5484 4.1060 4.1060 4.3315 4.3315 5.0331 5.0331 5.3066 5.3066 5.4758 5.4758 6.9474 6.9474 6.9544 6.9544 7.2137 7.2137 7.3193 7.3193 8.1684 8.1684 8.2386 8.2386 8.5911 8.5911 9.3626 9.3626 k = 0.0962 0.0555-0.0000 ( 10503 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6035 -7.6035 -6.6600 -6.6600 -6.6574 -6.6574 -6.5344 -6.5344 -6.5118 -6.5118 -6.4994 -6.4994 0.6834 0.6834 0.8229 0.8229 1.1963 1.1963 1.6336 1.6336 2.3394 2.3394 2.3637 2.3637 2.6002 2.6002 2.6556 2.6556 3.0647 3.0647 3.0900 3.0900 3.1299 3.1299 3.2913 3.2913 3.3316 3.3316 3.5556 3.5556 4.0800 4.0800 4.3561 4.3561 5.0129 5.0129 5.2932 5.2932 5.4584 5.4584 6.9466 6.9466 6.9542 6.9542 7.2056 7.2056 7.3165 7.3165 8.1763 8.1763 8.2603 8.2603 8.6099 8.6099 9.3688 9.3688 k = 0.1154 0.0666-0.0000 ( 10519 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5969 -7.5969 -6.6630 -6.6630 -6.6588 -6.6588 -6.5401 -6.5401 -6.5156 -6.5156 -6.4956 -6.4956 0.6931 0.6931 0.8323 0.8323 1.2032 1.2032 1.6394 1.6394 2.3297 2.3297 2.3653 2.3653 2.6066 2.6066 2.6617 2.6617 3.0451 3.0451 3.0799 3.0799 3.1331 3.1331 3.2964 3.2964 3.3285 3.3285 3.5643 3.5643 4.0501 4.0501 4.3840 4.3840 4.9878 4.9878 5.2791 5.2791 5.4384 5.4384 6.9455 6.9455 6.9539 6.9539 7.1942 7.1942 7.3140 7.3140 8.1834 8.1834 8.2879 8.2879 8.6328 8.6328 9.3771 9.3771 k = 0.1346 0.0777-0.0000 ( 10533 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5892 -7.5892 -6.6668 -6.6668 -6.6601 -6.6601 -6.5469 -6.5469 -6.5197 -6.5197 -6.4911 -6.4911 0.7040 0.7040 0.8433 0.8433 1.2113 1.2113 1.6471 1.6471 2.3189 2.3189 2.3666 2.3666 2.6121 2.6121 2.6697 2.6697 3.0224 3.0224 3.0694 3.0694 3.1355 3.1355 3.2991 3.2991 3.3290 3.3290 3.5741 3.5741 4.0167 4.0167 4.4147 4.4147 4.9582 4.9582 5.2651 5.2651 5.4162 5.4162 6.9442 6.9442 6.9535 6.9535 7.1789 7.1789 7.3119 7.3119 8.1894 8.1894 8.3208 8.3208 8.6599 8.6599 9.3877 9.3877 k = 0.1538 0.0888-0.0000 ( 10543 PWs) bands (ev): -48.9737 -48.9737 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5804 -7.5804 -6.6714 -6.6714 -6.6613 -6.6613 -6.5545 -6.5545 -6.5242 -6.5242 -6.4862 -6.4862 0.7158 0.7158 0.8558 0.8558 1.2207 1.2207 1.6570 1.6570 2.3071 2.3071 2.3674 2.3674 2.6161 2.6161 2.6796 2.6796 2.9972 2.9972 3.0587 3.0587 3.1366 3.1366 3.2959 3.2959 3.3363 3.3363 3.5848 3.5848 3.9807 3.9807 4.4474 4.4474 4.9248 4.9248 5.2518 5.2518 5.3925 5.3925 6.9426 6.9426 6.9531 6.9531 7.1597 7.1597 7.3102 7.3102 8.1944 8.1944 8.3584 8.3584 8.6908 8.6908 9.4010 9.4010 k = 0.1731 0.0999-0.0000 ( 10539 PWs) bands (ev): -48.9737 -48.9737 -48.9428 -48.9428 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5706 -7.5706 -6.6770 -6.6770 -6.6624 -6.6624 -6.5628 -6.5628 -6.5289 -6.5289 -6.4810 -6.4810 0.7283 0.7283 0.8697 0.8697 1.2315 1.2315 1.6694 1.6694 2.2947 2.2947 2.3675 2.3675 2.6183 2.6183 2.6912 2.6912 2.9698 2.9698 3.0482 3.0482 3.1361 3.1361 3.2877 3.2877 3.3497 3.3497 3.5954 3.5954 3.9436 3.9436 4.4812 4.4812 4.8890 4.8890 5.2393 5.2393 5.3675 5.3675 6.9406 6.9406 6.9525 6.9525 7.1368 7.1368 7.3088 7.3088 8.1985 8.1985 8.3998 8.3998 8.7252 8.7252 9.4166 9.4166 k = 0.1923 0.1110-0.0000 ( 10537 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5599 -7.5599 -6.6836 -6.6836 -6.6633 -6.6633 -6.5713 -6.5713 -6.5339 -6.5339 -6.4756 -6.4756 0.7411 0.7411 0.8849 0.8849 1.2438 1.2438 1.6844 1.6844 2.2819 2.2819 2.3669 2.3669 2.6187 2.6187 2.7041 2.7041 2.9410 2.9410 3.0381 3.0381 3.1337 3.1337 3.2762 3.2762 3.3672 3.3672 3.6039 3.6039 3.9077 3.9077 4.5153 4.5153 4.8522 4.8522 5.2278 5.2278 5.3418 5.3418 6.9380 6.9380 6.9519 6.9519 7.1104 7.1104 7.3076 7.3076 8.2017 8.2017 8.4444 8.4444 8.7625 8.7625 9.4333 9.4333 k = 0.2115 0.1221-0.0000 ( 10528 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5484 -7.5484 -6.6915 -6.6915 -6.6640 -6.6640 -6.5798 -6.5798 -6.5391 -6.5391 -6.4701 -6.4701 0.7538 0.7538 0.9013 0.9013 1.2580 1.2580 1.7022 1.7022 2.2688 2.2688 2.3652 2.3652 2.6174 2.6174 2.7177 2.7177 2.9114 2.9114 3.0284 3.0284 3.1293 3.1293 3.2621 3.2621 3.3876 3.3876 3.6069 3.6069 3.8770 3.8770 4.5479 4.5479 4.8167 4.8167 5.2171 5.2171 5.3158 5.3158 6.9345 6.9345 6.9513 6.9513 7.0814 7.0814 7.3063 7.3063 8.2041 8.2041 8.4915 8.4915 8.8022 8.8022 9.4485 9.4485 k = 0.2308 0.1332-0.0000 ( 10510 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5361 -7.5361 -6.7007 -6.7007 -6.6643 -6.6643 -6.5880 -6.5880 -6.5446 -6.5446 -6.4646 -6.4646 0.7661 0.7661 0.9188 0.9188 1.2741 1.2741 1.7227 1.7227 2.2556 2.2556 2.3626 2.3626 2.6143 2.6143 2.7316 2.7316 2.8817 2.8817 3.0194 3.0194 3.1230 3.1230 3.2458 3.2458 3.4099 3.4099 3.5997 3.5997 3.8570 3.8570 4.5763 4.5763 4.7855 4.7855 5.2073 5.2073 5.2899 5.2899 6.9295 6.9295 6.9506 6.9506 7.0508 7.0508 7.3048 7.3048 8.2059 8.2059 8.5404 8.5404 8.8436 8.8436 9.4598 9.4598 k = 0.2500 0.1443-0.0000 ( 10520 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5232 -7.5232 -6.7112 -6.7112 -6.6643 -6.6643 -6.5956 -6.5956 -6.5503 -6.5503 -6.4591 -6.4591 0.7776 0.7776 0.9371 0.9371 1.2924 1.2924 1.7458 1.7458 2.2424 2.2424 2.3588 2.3588 2.6093 2.6093 2.7455 2.7455 2.8528 2.8528 3.0111 3.0111 3.1147 3.1147 3.2276 3.2276 3.4324 3.4324 3.5793 3.5793 3.8518 3.8518 4.5954 4.5954 4.7641 4.7641 5.1982 5.1982 5.2644 5.2644 6.9214 6.9214 6.9498 6.9498 7.0206 7.0206 7.3031 7.3031 8.2071 8.2071 8.5905 8.5905 8.8859 8.8859 9.4666 9.4666 k = 0.2692 0.1554-0.0000 ( 10518 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5097 -7.5097 -6.7230 -6.7230 -6.6639 -6.6639 -6.6025 -6.6025 -6.5561 -6.5561 -6.4538 -6.4538 0.7880 0.7880 0.9560 0.9560 1.3130 1.3130 1.7714 1.7714 2.2295 2.2295 2.3540 2.3540 2.6021 2.6021 2.7590 2.7590 2.8256 2.8256 3.0036 3.0036 3.1045 3.1045 3.2083 3.2083 3.4510 3.4510 3.5500 3.5500 3.8611 3.8611 4.5991 4.5991 4.7590 4.7590 5.1896 5.1896 5.2400 5.2400 6.9075 6.9075 6.9490 6.9490 6.9941 6.9941 7.3010 7.3010 8.2078 8.2078 8.6410 8.6410 8.9285 8.9285 9.4701 9.4701 k = 0.2885 0.1665-0.0000 ( 10530 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4959 -7.4959 -6.7359 -6.7359 -6.6632 -6.6632 -6.6086 -6.6086 -6.5621 -6.5621 -6.4486 -6.4486 0.7972 0.7972 0.9754 0.9754 1.3360 1.3360 1.7991 1.7991 2.2170 2.2170 2.3480 2.3480 2.5925 2.5925 2.7716 2.7716 2.8012 2.8012 2.9968 2.9968 3.0925 3.0925 3.1882 3.1882 3.4502 3.4502 3.5307 3.5307 3.8808 3.8808 4.5869 4.5869 4.7703 4.7703 5.1810 5.1810 5.2174 5.2174 6.8849 6.8849 6.9482 6.9482 6.9750 6.9750 7.2986 7.2986 8.2081 8.2081 8.6913 8.6913 8.9706 8.9706 9.4715 9.4715 k = 0.3077 0.1776-0.0000 ( 10542 PWs) bands (ev): -48.9737 -48.9737 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4819 -7.4819 -6.7496 -6.7496 -6.6620 -6.6620 -6.6139 -6.6139 -6.5683 -6.5683 -6.4437 -6.4437 0.8051 0.8051 0.9949 0.9949 1.3611 1.3611 1.8285 1.8285 2.2051 2.2051 2.3408 2.3408 2.5805 2.5805 2.7767 2.7767 2.7864 2.7864 2.9908 2.9908 3.0787 3.0787 3.1682 3.1682 3.4152 3.4152 3.5396 3.5396 3.9073 3.9073 4.5659 4.5659 4.7911 4.7911 5.1708 5.1708 5.1988 5.1988 6.8541 6.8541 6.9473 6.9473 6.9633 6.9633 7.2960 7.2960 8.2081 8.2081 8.7407 8.7407 9.0115 9.0115 9.4716 9.4716 k = 0.3269 0.1887-0.0000 ( 10554 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4680 -7.4680 -6.7638 -6.7638 -6.6605 -6.6605 -6.6185 -6.6185 -6.5745 -6.5745 -6.4391 -6.4391 0.8116 0.8116 1.0143 1.0143 1.3880 1.3880 1.8593 1.8593 2.1940 2.1940 2.3324 2.3324 2.5661 2.5661 2.7609 2.7609 2.7947 2.7947 2.9855 2.9855 3.0636 3.0636 3.1489 3.1489 3.3649 3.3649 3.5605 3.5605 3.9375 3.9375 4.5422 4.5422 4.8148 4.8148 5.1563 5.1563 5.1870 5.1870 6.8186 6.8186 6.9465 6.9465 6.9564 6.9564 7.2933 7.2933 8.2079 8.2079 8.7885 8.7885 9.0505 9.0505 9.4708 9.4708 k = 0.3462 0.1999-0.0000 ( 10546 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4542 -7.4542 -6.7782 -6.7782 -6.6585 -6.6585 -6.6225 -6.6225 -6.5808 -6.5808 -6.4349 -6.4349 0.8168 0.8168 1.0332 1.0332 1.4163 1.4163 1.8907 1.8907 2.1840 2.1840 2.3228 2.3228 2.5500 2.5500 2.7473 2.7473 2.8025 2.8025 2.9811 2.9811 3.0480 3.0480 3.1305 3.1305 3.3109 3.3109 3.5835 3.5835 3.9694 3.9694 4.5190 4.5190 4.8383 4.8383 5.1386 5.1386 5.1813 5.1813 6.7816 6.7816 6.9458 6.9458 6.9520 6.9520 7.2905 7.2905 8.2075 8.2075 8.8339 8.8339 9.0871 9.0871 9.4696 9.4696 k = 0.3654 0.2110-0.0000 ( 10546 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4410 -7.4410 -6.7923 -6.7923 -6.6560 -6.6560 -6.6258 -6.6258 -6.5871 -6.5871 -6.4310 -6.4310 0.8209 0.8209 1.0512 1.0512 1.4453 1.4453 1.9221 1.9221 2.1754 2.1754 2.3119 2.3119 2.5330 2.5330 2.7373 2.7373 2.8072 2.8072 2.9778 2.9778 3.0331 3.0331 3.1131 3.1131 3.2571 3.2571 3.6058 3.6058 4.0016 4.0016 4.4975 4.4975 4.8599 4.8599 5.1205 5.1205 5.1791 5.1791 6.7450 6.7450 6.9451 6.9451 6.9489 6.9489 7.2878 7.2878 8.2071 8.2071 8.8762 8.8762 9.1207 9.1207 9.4681 9.4681 k = 0.3846 0.2221-0.0000 ( 10538 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4285 -7.4285 -6.8057 -6.8057 -6.6532 -6.6532 -6.6286 -6.6286 -6.5933 -6.5933 -6.4276 -6.4276 0.8240 0.8240 1.0679 1.0679 1.4740 1.4740 1.9526 1.9526 2.1688 2.1688 2.2998 2.2998 2.5161 2.5161 2.7306 2.7306 2.8079 2.8079 2.9760 2.9760 3.0202 3.0202 3.0965 3.0965 3.2061 3.2061 3.6265 3.6265 4.0325 4.0325 4.4786 4.4786 4.8787 4.8787 5.1035 5.1035 5.1791 5.1791 6.7104 6.7104 6.9444 6.9444 6.9466 6.9466 7.2852 7.2852 8.2066 8.2066 8.9146 8.9146 9.1507 9.1507 9.4665 9.4665 k = 0.4038 0.2332-0.0000 ( 10534 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4171 -7.4171 -6.8181 -6.8181 -6.6500 -6.6500 -6.6309 -6.6309 -6.5995 -6.5995 -6.4247 -6.4247 0.8262 0.8262 1.0830 1.0830 1.5015 1.5015 1.9809 1.9809 2.1648 2.1648 2.2865 2.2865 2.5002 2.5002 2.7268 2.7268 2.8040 2.8040 2.9763 2.9763 3.0102 3.0102 3.0802 3.0802 3.1595 3.1595 3.6448 3.6448 4.0610 4.0610 4.4626 4.4626 4.8946 4.8946 5.0880 5.0880 5.1806 5.1806 6.6788 6.6788 6.9439 6.9439 6.9449 6.9449 7.2828 7.2828 8.2061 8.2061 8.9486 8.9486 9.1768 9.1768 9.4649 9.4649 k = 0.4231 0.2443-0.0000 ( 10538 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4072 -7.4072 -6.8289 -6.8289 -6.6463 -6.6463 -6.6327 -6.6327 -6.6056 -6.6056 -6.4222 -6.4222 0.8278 0.8278 1.0960 1.0960 1.5264 1.5264 2.0056 2.0056 2.1644 2.1644 2.2721 2.2721 2.4863 2.4863 2.7258 2.7258 2.7959 2.7959 2.9790 2.9790 3.0036 3.0036 3.0638 3.0638 3.1195 3.1195 3.6603 3.6603 4.0860 4.0860 4.4495 4.4495 4.9074 4.9074 5.0746 5.0746 5.1829 5.1829 6.6514 6.6514 6.9432 6.9432 6.9437 6.9437 7.2808 7.2808 8.2057 8.2057 8.9773 8.9773 9.1986 9.1986 9.4635 9.4635 k = 0.4423 0.2554-0.0000 ( 10524 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3990 -7.3990 -6.8379 -6.8379 -6.6423 -6.6423 -6.6341 -6.6341 -6.6116 -6.6116 -6.4203 -6.4203 0.8289 0.8289 1.1067 1.1067 1.5477 1.5477 2.0251 2.0251 2.1684 2.1684 2.2568 2.2568 2.4748 2.4748 2.7273 2.7273 2.7848 2.7848 2.9835 2.9835 3.0006 3.0006 3.0469 3.0469 3.0875 3.0875 3.6727 3.6727 4.1066 4.1066 4.4393 4.4393 4.9172 4.9172 5.0634 5.0634 5.1855 5.1855 6.6290 6.6290 6.9425 6.9425 6.9432 6.9432 7.2791 7.2791 8.2054 8.2054 9.0004 9.0004 9.2158 9.2158 9.4623 9.4623 k = 0.4615 0.2665-0.0000 ( 10538 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3929 -7.3929 -6.8446 -6.8446 -6.6381 -6.6381 -6.6350 -6.6350 -6.6173 -6.6173 -6.4189 -6.4189 0.8296 0.8296 1.1145 1.1145 1.5640 1.5640 2.0386 2.0386 2.1772 2.1772 2.2408 2.2408 2.4664 2.4664 2.7313 2.7313 2.7722 2.7722 2.9881 2.9881 3.0020 3.0020 3.0302 3.0302 3.0642 3.0642 3.6817 3.6817 4.1219 4.1219 4.4322 4.4322 4.9243 4.9243 5.0550 5.0550 5.1879 5.1879 6.6123 6.6123 6.9418 6.9418 6.9428 6.9428 7.2779 7.2779 8.2051 8.2051 9.0171 9.0171 9.2282 9.2282 9.4614 9.4614 k = 0.4808 0.2776-0.0000 ( 10550 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3892 -7.3892 -6.8487 -6.8487 -6.6359 -6.6359 -6.6330 -6.6330 -6.6229 -6.6229 -6.4181 -6.4181 0.8299 0.8299 1.1193 1.1193 1.5743 1.5743 2.0462 2.0462 2.1897 2.1897 2.2246 2.2246 2.4612 2.4612 2.7376 2.7376 2.7602 2.7602 2.9917 2.9917 3.0071 3.0071 3.0167 3.0167 3.0485 3.0485 3.6872 3.6872 4.1313 4.1313 4.4279 4.4279 4.9285 4.9285 5.0498 5.0498 5.1895 5.1895 6.6021 6.6021 6.9414 6.9414 6.9427 6.9427 7.2772 7.2772 8.2049 8.2049 9.0274 9.0274 9.2358 9.2358 9.4608 9.4608 k = 0.5000 0.2887-0.0000 ( 10564 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3879 -7.3879 -6.8501 -6.8501 -6.6360 -6.6360 -6.6283 -6.6283 -6.6279 -6.6279 -6.4178 -6.4178 0.8301 0.8301 1.1209 1.1209 1.5778 1.5778 2.0486 2.0486 2.1999 2.1999 2.2133 2.2133 2.4595 2.4595 2.7430 2.7430 2.7527 2.7527 2.9936 2.9936 3.0100 3.0100 3.0114 3.0114 3.0421 3.0421 3.6891 3.6891 4.1345 4.1345 4.4265 4.4265 4.9300 4.9300 5.0480 5.0480 5.1901 5.1901 6.5987 6.5987 6.9413 6.9413 6.9426 6.9426 7.2769 7.2769 8.2048 8.2048 9.0308 9.0308 9.2383 9.2383 9.4606 9.4606 k = 0.5000 0.2887-0.0000 ( 10564 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3879 -7.3879 -6.8501 -6.8501 -6.6360 -6.6360 -6.6283 -6.6283 -6.6279 -6.6279 -6.4178 -6.4178 0.8301 0.8301 1.1209 1.1209 1.5778 1.5778 2.0486 2.0486 2.1999 2.1999 2.2133 2.2133 2.4595 2.4595 2.7430 2.7430 2.7527 2.7527 2.9936 2.9936 3.0100 3.0100 3.0114 3.0114 3.0421 3.0421 3.6891 3.6891 4.1345 4.1345 4.4265 4.4265 4.9300 4.9300 5.0480 5.0480 5.1901 5.1901 6.5987 6.5987 6.9413 6.9413 6.9426 6.9426 7.2769 7.2769 8.2048 8.2048 9.0308 9.0308 9.2383 9.2383 9.4606 9.4606 k = 0.4889 0.3079-0.0000 ( 10560 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3875 -7.3875 -6.8499 -6.8499 -6.6430 -6.6430 -6.6278 -6.6278 -6.6221 -6.6221 -6.4178 -6.4178 0.8321 0.8321 1.1214 1.1214 1.5766 1.5766 2.0493 2.0493 2.1945 2.1945 2.2160 2.2160 2.4577 2.4577 2.7261 2.7261 2.7681 2.7681 2.9727 2.9727 3.0074 3.0074 3.0259 3.0259 3.0582 3.0582 3.6886 3.6886 4.1346 4.1346 4.4240 4.4240 4.9301 4.9301 5.0456 5.0456 5.1907 5.1907 6.6006 6.6006 6.9413 6.9413 6.9426 6.9426 7.2746 7.2746 8.2086 8.2086 9.0292 9.0292 9.2377 9.2377 9.4646 9.4646 k = 0.4778 0.3272-0.0000 ( 10554 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3865 -7.3865 -6.8492 -6.8492 -6.6536 -6.6536 -6.6274 -6.6274 -6.6141 -6.6141 -6.4178 -6.4178 0.8383 0.8383 1.1229 1.1229 1.5731 1.5731 2.0513 2.0513 2.1828 2.1828 2.2194 2.2194 2.4527 2.4527 2.7046 2.7046 2.7844 2.7844 2.9459 2.9459 3.0029 3.0029 3.0471 3.0471 3.0898 3.0898 3.6870 3.6870 4.1348 4.1348 4.4165 4.4165 4.9305 4.9305 5.0387 5.0387 5.1924 5.1924 6.6063 6.6063 6.9413 6.9413 6.9427 6.9427 7.2677 7.2677 8.2198 8.2198 9.0244 9.0244 9.2359 9.2359 9.4764 9.4764 k = 0.4667 0.3464-0.0000 ( 10560 PWs) bands (ev): -48.9739 -48.9739 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3847 -7.3847 -6.8481 -6.8481 -6.6650 -6.6650 -6.6267 -6.6267 -6.6068 -6.6068 -6.4178 -6.4178 0.8484 0.8484 1.1253 1.1253 1.5675 1.5675 2.0546 2.0546 2.1671 2.1671 2.2213 2.2213 2.4454 2.4454 2.6833 2.6833 2.7949 2.7949 2.9243 2.9243 3.0002 3.0002 3.0726 3.0726 3.1251 3.1251 3.6845 3.6845 4.1353 4.1353 4.4043 4.4043 4.9310 4.9310 5.0277 5.0277 5.1952 5.1952 6.6156 6.6156 6.9413 6.9413 6.9427 6.9427 7.2563 7.2563 8.2381 8.2381 9.0166 9.0166 9.2329 9.2329 9.4959 9.4959 k = 0.4556 0.3657-0.0000 ( 10552 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3823 -7.3823 -6.8465 -6.8465 -6.6771 -6.6771 -6.6257 -6.6257 -6.6006 -6.6006 -6.4178 -6.4178 0.8622 0.8622 1.1286 1.1286 1.5599 1.5599 2.0590 2.0590 2.1479 2.1479 2.2213 2.2213 2.4371 2.4371 2.6628 2.6628 2.7958 2.7958 2.9130 2.9130 2.9988 2.9988 3.1024 3.1024 3.1612 3.1612 3.6810 3.6810 4.1360 4.1360 4.3878 4.3878 4.9313 4.9313 5.0135 5.0135 5.1991 5.1991 6.6281 6.6281 6.9414 6.9414 6.9428 6.9428 7.2407 7.2407 8.2632 8.2632 9.0057 9.0057 9.2288 9.2288 9.5228 9.5228 k = 0.4444 0.3849-0.0000 ( 10544 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3793 -7.3793 -6.8444 -6.8444 -6.6896 -6.6896 -6.6244 -6.6244 -6.5954 -6.5954 -6.4176 -6.4176 0.8794 0.8794 1.1327 1.1327 1.5509 1.5509 2.0643 2.0643 2.1254 2.1254 2.2196 2.2196 2.4286 2.4286 2.6438 2.6438 2.7856 2.7856 2.9136 2.9136 2.9984 2.9984 3.1355 3.1355 3.1971 3.1971 3.6767 3.6767 4.1372 4.1372 4.3674 4.3674 4.9309 4.9309 4.9970 4.9970 5.2040 5.2040 6.6435 6.6435 6.9415 6.9415 6.9429 6.9429 7.2211 7.2211 8.2946 8.2946 8.9919 8.9919 9.2236 9.2236 9.5565 9.5565 k = 0.4333 0.4041-0.0000 ( 10532 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3759 -7.3759 -6.8420 -6.8420 -6.7023 -6.7023 -6.6229 -6.6229 -6.5914 -6.5914 -6.4174 -6.4174 0.8996 0.8996 1.1374 1.1374 1.5407 1.5407 2.0699 2.0699 2.1003 2.1003 2.2165 2.2165 2.4204 2.4204 2.6267 2.6267 2.7683 2.7683 2.9224 2.9224 2.9986 2.9986 3.1703 3.1703 3.2320 3.2320 3.6715 3.6715 4.1389 4.1389 4.3439 4.3439 4.9291 4.9291 4.9798 4.9798 5.2099 5.2099 6.6613 6.6613 6.9416 6.9416 6.9430 6.9430 7.1980 7.1980 8.3315 8.3315 8.9755 8.9755 9.2174 9.2174 9.5965 9.5965 k = 0.4222 0.4234-0.0000 ( 10532 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3720 -7.3720 -6.8391 -6.8391 -6.7153 -6.7153 -6.6211 -6.6211 -6.5885 -6.5885 -6.4170 -6.4170 0.9222 0.9222 1.1426 1.1426 1.5300 1.5300 2.0684 2.0684 2.0807 2.0807 2.2123 2.2123 2.4127 2.4127 2.6121 2.6121 2.7487 2.7487 2.9348 2.9348 2.9992 2.9992 3.2053 3.2053 3.2655 3.2655 3.6657 3.6657 4.1410 4.1410 4.3181 4.3181 4.9247 4.9247 4.9639 4.9639 5.2165 5.2165 6.6809 6.6809 6.9418 6.9418 6.9430 6.9430 7.1720 7.1720 8.3731 8.3731 8.9566 8.9566 9.2103 9.2103 9.6419 9.6419 k = 0.4111 0.4426-0.0000 ( 10542 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3679 -7.3679 -6.8358 -6.8358 -6.7281 -6.7281 -6.6191 -6.6191 -6.5868 -6.5868 -6.4166 -6.4166 0.9464 0.9464 1.1480 1.1480 1.5193 1.5193 2.0417 2.0417 2.0853 2.0853 2.2073 2.2073 2.4051 2.4051 2.6002 2.6002 2.7292 2.7292 2.9480 2.9480 3.0002 3.0002 3.2393 3.2393 3.2968 3.2968 3.6596 3.6596 4.1437 4.1437 4.2910 4.2910 4.9157 4.9157 4.9521 4.9521 5.2237 5.2237 6.7020 6.7020 6.9420 6.9420 6.9431 6.9431 7.1435 7.1435 8.4186 8.4186 8.9354 8.9354 9.2024 9.2024 9.6919 9.6919 k = 0.4000 0.4619-0.0000 ( 10532 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3636 -7.3636 -6.8322 -6.8322 -6.7408 -6.7408 -6.6168 -6.6168 -6.5861 -6.5861 -6.4160 -6.4160 0.9713 0.9713 1.1536 1.1536 1.5093 1.5093 2.0124 2.0124 2.0922 2.0922 2.2018 2.2018 2.3973 2.3973 2.5914 2.5914 2.7112 2.7112 2.9607 2.9607 3.0016 3.0016 3.2710 3.2710 3.3254 3.3254 3.6535 3.6535 4.1467 4.1467 4.2639 4.2639 4.9026 4.9026 4.9451 4.9451 5.2311 5.2311 6.7239 6.7239 6.9424 6.9424 6.9431 6.9431 7.1135 7.1135 8.4666 8.4666 8.9123 8.9123 9.1941 9.1941 9.7451 9.7451 k = 0.3889 0.4811-0.0000 ( 10532 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3595 -7.3595 -6.8283 -6.8283 -6.7530 -6.7530 -6.6143 -6.6143 -6.5863 -6.5863 -6.4154 -6.4154 0.9956 0.9956 1.1590 1.1590 1.5008 1.5008 1.9837 1.9837 2.0993 2.0993 2.1962 2.1962 2.3893 2.3893 2.5857 2.5857 2.6953 2.6953 2.9719 2.9719 3.0034 3.0034 3.2993 3.2993 3.3504 3.3504 3.6478 3.6478 4.1498 4.1498 4.2382 4.2382 4.8881 4.8881 4.9407 4.9407 5.2383 5.2383 6.7461 6.7461 6.9429 6.9429 6.9431 6.9431 7.0827 7.0827 8.5161 8.5161 8.8875 8.8875 9.1854 9.1854 9.8002 9.8002 k = 0.3778 0.5004-0.0000 ( 10525 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3556 -7.3556 -6.8241 -6.8241 -6.7644 -6.7644 -6.6116 -6.6116 -6.5874 -6.5874 -6.4147 -6.4147 1.0179 1.0179 1.1640 1.1640 1.4944 1.4944 1.9569 1.9569 2.1061 2.1061 2.1905 2.1905 2.3814 2.3814 2.5826 2.5826 2.6818 2.6818 2.9810 2.9810 3.0056 3.0056 3.3233 3.3233 3.3711 3.3711 3.6430 3.6430 4.1524 4.1524 4.2155 4.2155 4.8746 4.8746 4.9374 4.9374 5.2451 5.2451 6.7677 6.7677 6.9430 6.9430 6.9439 6.9439 7.0524 7.0524 8.5656 8.5656 8.8613 8.8613 9.1770 9.1770 9.8555 9.8555 k = 0.3667 0.5196-0.0000 ( 10529 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3521 -7.3521 -6.8197 -6.8197 -6.7748 -6.7748 -6.6087 -6.6087 -6.5893 -6.5893 -6.4141 -6.4141 1.0369 1.0369 1.1684 1.1684 1.4905 1.4905 1.9333 1.9333 2.1125 2.1125 2.1852 2.1852 2.3740 2.3740 2.5817 2.5817 2.6709 2.6709 2.9875 2.9875 3.0084 3.0084 3.3423 3.3423 3.3867 3.3867 3.6395 3.6395 4.1538 4.1538 4.1977 4.1977 4.8635 4.8635 4.9348 4.9348 5.2510 5.2510 6.7876 6.7876 6.9430 6.9430 6.9454 6.9454 7.0237 7.0237 8.6134 8.6134 8.8344 8.8344 9.1691 9.1691 9.9088 9.9088 k = 0.3556 0.5389-0.0000 ( 10521 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3494 -7.3494 -6.8154 -6.8154 -6.7837 -6.7837 -6.6056 -6.6056 -6.5917 -6.5917 -6.4136 -6.4136 1.0511 1.0511 1.1719 1.1719 1.4891 1.4891 1.9144 1.9144 2.1178 2.1178 2.1806 2.1806 2.3680 2.3680 2.5822 2.5822 2.6628 2.6628 2.9915 2.9915 3.0113 3.0113 3.3560 3.3560 3.3970 3.3970 3.6375 3.6375 4.1532 4.1532 4.1864 4.1864 4.8552 4.8552 4.9328 4.9328 5.2555 5.2555 6.8043 6.8043 6.9430 6.9430 6.9480 6.9480 6.9985 6.9985 8.6570 8.6570 8.8075 8.8075 9.1625 9.1625 9.9575 9.9575 k = 0.3444 0.5581-0.0000 ( 10513 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3475 -7.3475 -6.8118 -6.8118 -6.7902 -6.7902 -6.6026 -6.6026 -6.5944 -6.5944 -6.4132 -6.4132 1.0598 1.0598 1.1743 1.1743 1.4895 1.4895 1.9019 1.9019 2.1215 2.1215 2.1773 2.1773 2.3639 2.3639 2.5830 2.5830 2.6578 2.6578 2.9935 2.9935 3.0136 3.0136 3.3641 3.3641 3.4022 3.4022 3.6368 3.6368 4.1512 4.1512 4.1814 4.1814 4.8502 4.8502 4.9315 4.9315 5.2585 5.2585 6.8155 6.8155 6.9430 6.9430 6.9523 6.9523 6.9789 6.9789 8.6925 8.6925 8.7832 8.7832 9.1580 9.1580 9.9983 9.9983 k = 0.3333 0.5774-0.0000 ( 10509 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3469 -7.3469 -6.8104 -6.8104 -6.7927 -6.7927 -6.6007 -6.6007 -6.5963 -6.5963 -6.4131 -6.4131 1.0626 1.0626 1.1751 1.1751 1.4901 1.4901 1.8975 1.8975 2.1228 2.1228 2.1761 2.1761 2.3624 2.3624 2.5834 2.5834 2.6561 2.6561 2.9941 2.9941 3.0144 3.0144 3.3667 3.3667 3.4036 3.4036 3.6368 3.6368 4.1502 4.1502 4.1801 4.1801 4.8485 4.8485 4.9310 4.9310 5.2595 5.2595 6.8194 6.8194 6.9429 6.9429 6.9563 6.9563 6.9696 6.9696 8.7084 8.7084 8.7714 8.7714 9.1563 9.1563 10.0209 10.0209 k = 0.3333 0.5774-0.0000 ( 10509 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3469 -7.3469 -6.8104 -6.8104 -6.7927 -6.7927 -6.6007 -6.6007 -6.5963 -6.5963 -6.4131 -6.4131 1.0626 1.0626 1.1751 1.1751 1.4901 1.4901 1.8975 1.8975 2.1228 2.1228 2.1761 2.1761 2.3624 2.3624 2.5834 2.5834 2.6561 2.6561 2.9941 2.9941 3.0144 3.0144 3.3667 3.3667 3.4036 3.4036 3.6368 3.6368 4.1502 4.1502 4.1801 4.1801 4.8485 4.8485 4.9310 4.9310 5.2595 5.2595 6.8194 6.8194 6.9429 6.9429 6.9563 6.9563 6.9696 6.9696 8.7084 8.7084 8.7714 8.7714 9.1563 9.1563 10.0209 10.0209 k = 0.3222 0.5581-0.0000 ( 10509 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3476 -7.3476 -6.8114 -6.8114 -6.7906 -6.7906 -6.6028 -6.6028 -6.5942 -6.5942 -6.4132 -6.4132 1.0600 1.0600 1.1742 1.1742 1.4889 1.4889 1.9022 1.9022 2.1214 2.1214 2.1774 2.1774 2.3640 2.3640 2.5829 2.5829 2.6578 2.6578 2.9936 2.9936 3.0135 3.0135 3.3644 3.3644 3.4026 3.4026 3.6366 3.6366 4.1507 4.1507 4.1816 4.1816 4.8501 4.8501 4.9315 4.9315 5.2584 5.2584 6.8161 6.8161 6.9430 6.9430 6.9528 6.9528 6.9781 6.9781 8.6950 8.6950 8.7803 8.7803 9.1581 9.1581 10.0031 10.0031 k = 0.3111 0.5389-0.0000 ( 10517 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3499 -7.3499 -6.8126 -6.8126 -6.7860 -6.7860 -6.6063 -6.6063 -6.5908 -6.5908 -6.4137 -6.4137 1.0528 1.0528 1.1712 1.1712 1.4846 1.4846 1.9158 1.9158 2.1178 2.1178 2.1810 2.1810 2.3689 2.3689 2.5815 2.5815 2.6628 2.6628 2.9921 2.9921 3.0105 3.0105 3.3588 3.3588 3.4000 3.4000 3.6356 3.6356 4.1497 4.1497 4.1879 4.1879 4.8547 4.8547 4.9333 4.9333 5.2551 5.2551 6.8085 6.8085 6.9430 6.9430 6.9494 6.9494 6.9944 6.9944 8.6691 8.6691 8.7926 8.7926 9.1634 9.1634 9.9766 9.9766 k = 0.3000 0.5196-0.0000 ( 10519 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3537 -7.3537 -6.8126 -6.8126 -6.7804 -6.7804 -6.6100 -6.6100 -6.5870 -6.5870 -6.4145 -6.4145 1.0419 1.0419 1.1661 1.1661 1.4767 1.4767 1.9369 1.9369 2.1126 2.1126 2.1866 2.1866 2.3772 2.3772 2.5795 2.5795 2.6708 2.6708 2.9896 2.9896 3.0054 3.0054 3.3519 3.3519 3.3964 3.3964 3.6333 3.6333 4.1441 4.1441 4.2008 4.2008 4.8616 4.8616 4.9367 4.9367 5.2495 5.2495 6.8000 6.8000 6.9430 6.9430 6.9478 6.9478 7.0139 7.0139 8.6400 8.6400 8.7989 8.7989 9.1714 9.1714 9.9486 9.9486 k = 0.2889 0.5004-0.0000 ( 10529 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3593 -7.3593 -6.8108 -6.8108 -6.7742 -6.7742 -6.6138 -6.6138 -6.5831 -6.5831 -6.4157 -6.4157 1.0281 1.0281 1.1587 1.1587 1.4654 1.4654 1.9623 1.9623 2.1071 2.1071 2.1937 2.1937 2.3889 2.3889 2.5777 2.5777 2.6816 2.6816 2.9860 2.9860 2.9989 2.9989 3.3452 3.3452 3.3920 3.3920 3.6296 3.6296 4.1336 4.1336 4.2196 4.2196 4.8701 4.8701 4.9420 4.9420 5.2419 5.2419 6.7930 6.7930 6.9431 6.9431 6.9474 6.9474 7.0351 7.0351 8.6100 8.6100 8.7979 8.7979 9.1805 9.1805 9.9199 9.9199 k = 0.2778 0.4811-0.0000 ( 10533 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3666 -7.3666 -6.8069 -6.8069 -6.7678 -6.7678 -6.6174 -6.6174 -6.5792 -6.5792 -6.4173 -6.4173 1.0124 1.0124 1.1491 1.1491 1.4515 1.4515 1.9872 1.9872 2.1029 2.1029 2.2024 2.2024 2.4042 2.4042 2.5768 2.5768 2.6953 2.6953 2.9800 2.9800 2.9922 2.9922 3.3400 3.3400 3.3872 3.3872 3.6244 3.6244 4.1186 4.1186 4.2429 4.2429 4.8788 4.8788 4.9500 4.9500 5.2324 5.2324 6.7891 6.7891 6.9433 6.9433 6.9477 6.9477 7.0571 7.0571 8.5800 8.5800 8.7905 8.7905 9.1887 9.1887 9.8908 9.8908 k = 0.2667 0.4619-0.0000 ( 10545 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3754 -7.3754 -6.8011 -6.8011 -6.7611 -6.7611 -6.6209 -6.6209 -6.5751 -6.5751 -6.4192 -6.4192 0.9952 0.9952 1.1374 1.1374 1.4360 1.4360 2.0050 2.0050 2.1032 2.1032 2.2129 2.2129 2.4232 2.4232 2.5773 2.5773 2.7121 2.7121 2.9702 2.9702 2.9876 2.9876 3.3367 3.3367 3.3828 3.3828 3.6180 3.6180 4.0996 4.0996 4.2695 4.2695 4.8860 4.8860 4.9613 4.9613 5.2216 5.2216 6.7891 6.7891 6.9436 6.9436 6.9486 6.9486 7.0792 7.0792 8.5502 8.5502 8.7778 8.7778 9.1942 9.1942 9.8615 9.8615 k = 0.2556 0.4426-0.0000 ( 10529 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3857 -7.3857 -6.7935 -6.7935 -6.7543 -6.7543 -6.6240 -6.6240 -6.5710 -6.5710 -6.4216 -6.4216 0.9770 0.9770 1.1238 1.1238 1.4195 1.4195 2.0095 2.0095 2.1112 2.1112 2.2256 2.2256 2.4459 2.4459 2.5799 2.5799 2.7325 2.7325 2.9575 2.9575 2.9848 2.9848 3.3352 3.3352 3.3793 3.3793 3.6105 3.6105 4.0768 4.0768 4.2988 4.2988 4.8903 4.8903 4.9765 4.9765 5.2102 5.2102 6.7933 6.7933 6.9439 6.9439 6.9498 6.9498 7.1011 7.1011 8.5209 8.5209 8.7611 8.7611 9.1955 9.1955 9.8321 9.8321 k = 0.2444 0.4234-0.0000 ( 10539 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3972 -7.3972 -6.7842 -6.7842 -6.7474 -6.7474 -6.6268 -6.6268 -6.5669 -6.5669 -6.4244 -6.4244 0.9583 0.9583 1.1085 1.1085 1.4027 1.4027 2.0008 2.0008 2.1248 2.1248 2.2400 2.2400 2.4723 2.4723 2.5847 2.5847 2.7566 2.7566 2.9429 2.9429 2.9833 2.9833 3.3345 3.3345 3.3778 3.3778 3.6025 3.6025 4.0507 4.0507 4.3302 4.3302 4.8905 4.8905 4.9955 4.9955 5.1990 5.1990 6.8016 6.8016 6.9443 6.9443 6.9516 6.9516 7.1226 7.1226 8.4923 8.4923 8.7411 8.7411 9.1914 9.1914 9.8025 9.8025 k = 0.2333 0.4041-0.0000 ( 10525 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4097 -7.4097 -6.7737 -6.7737 -6.7405 -6.7405 -6.6291 -6.6291 -6.5629 -6.5629 -6.4276 -6.4276 0.9393 0.9393 1.0917 1.0917 1.3859 1.3859 1.9830 1.9830 2.1398 2.1398 2.2554 2.2554 2.5019 2.5019 2.5913 2.5913 2.7845 2.7845 2.9275 2.9275 2.9832 2.9832 3.3336 3.3336 3.3791 3.3791 3.5947 3.5947 4.0218 4.0218 4.3633 4.3633 4.8861 4.8861 5.0177 5.0177 5.1890 5.1890 6.8137 6.8137 6.9448 6.9448 6.9540 6.9540 7.1433 7.1433 8.4645 8.4645 8.7188 8.7188 9.1814 9.1814 9.7725 9.7725 k = 0.2222 0.3849-0.0000 ( 10499 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4231 -7.4231 -6.7621 -6.7621 -6.7335 -6.7335 -6.6308 -6.6308 -6.5588 -6.5588 -6.4311 -6.4311 0.9202 0.9202 1.0737 1.0737 1.3695 1.3695 1.9595 1.9595 2.1540 2.1540 2.2707 2.2707 2.5339 2.5339 2.5993 2.5993 2.8152 2.8152 2.9122 2.9122 2.9848 2.9848 3.3317 3.3317 3.3831 3.3831 3.5878 3.5878 3.9908 3.9908 4.3978 4.3978 4.8767 4.8767 5.0425 5.0425 5.1811 5.1811 6.8290 6.8290 6.9454 6.9454 6.9573 6.9573 7.1632 7.1632 8.4376 8.4376 8.6946 8.6946 9.1651 9.1651 9.7413 9.7413 k = 0.2111 0.3657-0.0000 ( 10499 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4371 -7.4371 -6.7499 -6.7499 -6.7264 -6.7264 -6.6319 -6.6319 -6.5548 -6.5548 -6.4350 -6.4350 0.9011 0.9011 1.0548 1.0548 1.3536 1.3536 1.9320 1.9320 2.1673 2.1673 2.2852 2.2852 2.5667 2.5667 2.6087 2.6087 2.8456 2.8456 2.8993 2.8993 2.9886 2.9886 3.3291 3.3291 3.3889 3.3889 3.5832 3.5832 3.9585 3.9585 4.4333 4.4333 4.8621 4.8621 5.0691 5.0691 5.1760 5.1760 6.8466 6.8466 6.9459 6.9459 6.9617 6.9617 7.1820 7.1820 8.4118 8.4118 8.6689 8.6689 9.1425 9.1425 9.7073 9.7073 k = 0.2000 0.3464-0.0000 ( 10501 PWs) bands (ev): -48.9736 -48.9736 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4515 -7.4515 -6.7377 -6.7377 -6.7192 -6.7192 -6.6321 -6.6321 -6.5508 -6.5508 -6.4392 -6.4392 0.8822 0.8822 1.0353 1.0353 1.3383 1.3383 1.9020 1.9020 2.1801 2.1801 2.2985 2.2985 2.5963 2.5963 2.6216 2.6216 2.8623 2.8623 2.9007 2.9007 2.9955 2.9955 3.3260 3.3260 3.3946 3.3946 3.5821 3.5821 3.9261 3.9261 4.4695 4.4695 4.8430 4.8430 5.0972 5.0972 5.1738 5.1738 6.8653 6.8653 6.9466 6.9466 6.9679 6.9679 7.1998 7.1998 8.3871 8.3871 8.6420 8.6420 9.1140 9.1140 9.6697 9.6697 k = 0.1889 0.3272-0.0000 ( 10503 PWs) bands (ev): -48.9736 -48.9736 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4660 -7.4660 -6.7260 -6.7260 -6.7116 -6.7116 -6.6312 -6.6312 -6.5469 -6.5469 -6.4436 -6.4436 0.8636 0.8636 1.0154 1.0154 1.3237 1.3237 1.8707 1.8707 2.1927 2.1927 2.3105 2.3105 2.6139 2.6139 2.6450 2.6450 2.8563 2.8563 2.9230 2.9230 3.0071 3.0071 3.3229 3.3229 3.3981 3.3981 3.5861 3.5861 3.8948 3.8948 4.5055 4.5055 4.8202 4.8202 5.1263 5.1263 5.1746 5.1746 6.8836 6.8836 6.9472 6.9472 6.9770 6.9770 7.2163 7.2163 8.3636 8.3636 8.6142 8.6142 9.0801 9.0801 9.6304 9.6304 k = 0.1778 0.3079-0.0000 ( 10509 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4806 -7.4806 -6.7157 -6.7157 -6.7036 -6.7036 -6.6289 -6.6289 -6.5431 -6.5431 -6.4484 -6.4484 0.8453 0.8453 0.9954 0.9954 1.3098 1.3098 1.8392 1.8392 2.2054 2.2054 2.3213 2.3213 2.6227 2.6227 2.6733 2.6733 2.8473 2.8473 2.9454 2.9454 3.0246 3.0246 3.3202 3.3202 3.3981 3.3981 3.5954 3.5954 3.8664 3.8664 4.5403 4.5403 4.7957 4.7957 5.1561 5.1561 5.1779 5.1779 6.8995 6.8995 6.9479 6.9479 6.9900 6.9900 7.2316 7.2316 8.3413 8.3413 8.5857 8.5857 9.0417 9.0417 9.5919 9.5919 k = 0.1667 0.2887-0.0000 ( 10515 PWs) bands (ev): -48.9736 -48.9736 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.4950 -7.4950 -6.7070 -6.7070 -6.6952 -6.6952 -6.6249 -6.6249 -6.5395 -6.5395 -6.4533 -6.4533 0.8273 0.8273 0.9755 0.9755 1.2965 1.2965 1.8084 1.8084 2.2183 2.2183 2.3309 2.3309 2.6285 2.6285 2.6976 2.6976 2.8431 2.8431 2.9626 2.9626 3.0467 3.0467 3.3178 3.3178 3.3941 3.3941 3.6086 3.6086 3.8434 3.8434 4.5710 4.5710 4.7729 4.7729 5.1818 5.1818 5.1878 5.1878 6.9121 6.9121 6.9486 6.9486 7.0075 7.0075 7.2455 7.2455 8.3203 8.3203 8.5565 8.5565 8.9995 8.9995 9.5558 9.5558 k = 0.1556 0.2694-0.0000 ( 10519 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5091 -7.5091 -6.6998 -6.6998 -6.6873 -6.6873 -6.6189 -6.6189 -6.5359 -6.5359 -6.4584 -6.4584 0.8098 0.8098 0.9560 0.9560 1.2839 1.2839 1.7790 1.7790 2.2312 2.2312 2.3394 2.3394 2.6323 2.6323 2.7128 2.7128 2.8482 2.8482 2.9762 2.9762 3.0697 3.0697 3.3160 3.3160 3.3866 3.3866 3.6216 3.6216 3.8298 3.8298 4.5916 4.5916 4.7586 4.7586 5.1895 5.1895 5.2175 5.2175 6.9211 6.9211 6.9494 6.9494 7.0289 7.0289 7.2580 7.2580 8.3006 8.3006 8.5267 8.5267 8.9546 8.9546 9.5227 9.5227 k = 0.1444 0.2502-0.0000 ( 10533 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5227 -7.5227 -6.6935 -6.6935 -6.6807 -6.6807 -6.6110 -6.6110 -6.5325 -6.5325 -6.4635 -6.4635 0.7927 0.7927 0.9370 0.9370 1.2717 1.2717 1.7517 1.7517 2.2444 2.2444 2.3467 2.3467 2.6344 2.6344 2.7170 2.7170 2.8643 2.8643 2.9883 2.9883 3.0906 3.0906 3.3148 3.3148 3.3765 3.3765 3.6292 3.6292 3.8296 3.8296 4.5941 4.5941 4.7614 4.7614 5.1976 5.1976 5.2479 5.2479 6.9276 6.9276 6.9501 6.9501 7.0526 7.0526 7.2690 7.2690 8.2823 8.2823 8.4964 8.4964 8.9082 8.9082 9.4931 9.4931 k = 0.1333 0.2309-0.0000 ( 10535 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5358 -7.5358 -6.6877 -6.6877 -6.6755 -6.6755 -6.6014 -6.6014 -6.5292 -6.5292 -6.4688 -6.4688 0.7761 0.7761 0.9187 0.9187 1.2601 1.2601 1.7270 1.7270 2.2575 2.2575 2.3528 2.3528 2.6349 2.6349 2.7129 2.7129 2.8883 2.8883 3.0003 3.0003 3.1078 3.1078 3.3143 3.3143 3.3648 3.3648 3.6283 3.6283 3.8446 3.8446 4.5774 4.5774 4.7826 4.7826 5.2067 5.2067 5.2780 5.2780 6.9322 6.9322 6.9508 6.9508 7.0772 7.0772 7.2787 7.2787 8.2652 8.2652 8.4655 8.4655 8.8616 8.8616 9.4669 9.4669 k = 0.1222 0.2117-0.0000 ( 10533 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5482 -7.5482 -6.6824 -6.6824 -6.6715 -6.6715 -6.5909 -6.5909 -6.5261 -6.5261 -6.4740 -6.4740 0.7602 0.7602 0.9013 0.9013 1.2490 1.2490 1.7051 1.7051 2.2706 2.2706 2.3576 2.3576 2.6338 2.6338 2.7046 2.7046 2.9162 2.9162 3.0126 3.0126 3.1209 3.1209 3.3143 3.3143 3.3526 3.3526 3.6205 3.6205 3.8717 3.8717 4.5495 4.5495 4.8146 4.8146 5.2167 5.2167 5.3076 5.3076 6.9358 6.9358 6.9514 6.9514 7.1017 7.1017 7.2869 7.2869 8.2495 8.2495 8.4343 8.4343 8.8159 8.8159 9.4443 9.4443 k = 0.1111 0.1925-0.0000 ( 10531 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5598 -7.5598 -6.6775 -6.6775 -6.6682 -6.6682 -6.5800 -6.5800 -6.5231 -6.5231 -6.4791 -6.4791 0.7449 0.7449 0.8849 0.8849 1.2385 1.2385 1.6863 1.6863 2.2835 2.2835 2.3612 2.3612 2.6312 2.6312 2.6947 2.6947 2.9452 2.9452 3.0253 3.0253 3.1297 3.1297 3.3148 3.3148 3.3406 3.3406 3.6091 3.6091 3.9058 3.9058 4.5167 4.5167 4.8510 4.8510 5.2275 5.2275 5.3364 5.3364 6.9386 6.9386 6.9520 6.9520 7.1250 7.1250 7.2939 7.2939 8.2351 8.2351 8.4027 8.4027 8.7722 8.7722 9.4251 9.4251 k = 0.1000 0.1732-0.0000 ( 10537 PWs) bands (ev): -48.9737 -48.9737 -48.9428 -48.9428 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5705 -7.5705 -6.6731 -6.6731 -6.6656 -6.6656 -6.5693 -6.5693 -6.5202 -6.5202 -6.4841 -6.4841 0.7305 0.7305 0.8697 0.8697 1.2285 1.2285 1.6705 1.6705 2.2961 2.2961 2.3636 2.3636 2.6271 2.6271 2.6847 2.6847 2.9735 2.9735 3.0383 3.0383 3.1347 3.1347 3.3152 3.3152 3.3301 3.3301 3.5967 3.5967 3.9430 3.9430 4.4823 4.4823 4.8883 4.8883 5.2392 5.2392 5.3641 5.3641 6.9409 6.9409 6.9526 6.9526 7.1465 7.1465 7.2997 7.2997 8.2218 8.2218 8.3711 8.3711 8.7315 8.7315 9.4089 9.4089 k = 0.0889 0.1540-0.0000 ( 10529 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5803 -7.5803 -6.6690 -6.6690 -6.6633 -6.6633 -6.5591 -6.5591 -6.5175 -6.5175 -6.4889 -6.4889 0.7170 0.7170 0.8558 0.8558 1.2191 1.2191 1.6576 1.6576 2.3082 2.3082 2.3647 2.3647 2.6218 2.6218 2.6754 2.6754 3.0003 3.0003 3.0514 3.0514 3.1365 3.1365 3.3126 3.3126 3.3244 3.3244 3.5847 3.5847 3.9805 3.9805 4.4480 4.4480 4.9245 4.9245 5.2517 5.2517 5.3905 5.3905 6.9427 6.9427 6.9531 6.9531 7.1657 7.1657 7.3046 7.3046 8.2097 8.2097 8.3400 8.3400 8.6945 8.6945 9.3955 9.3955 k = 0.0778 0.1347-0.0000 ( 10521 PWs) bands (ev): -48.9737 -48.9737 -48.9427 -48.9427 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5891 -7.5891 -6.6655 -6.6655 -6.6612 -6.6612 -6.5499 -6.5499 -6.5148 -6.5148 -6.4934 -6.4934 0.7045 0.7045 0.8434 0.8434 1.2106 1.2106 1.6474 1.6474 2.3196 2.3196 2.3649 2.3649 2.6153 2.6153 2.6674 2.6674 3.0249 3.0249 3.0644 3.0644 3.1358 3.1358 3.3055 3.3055 3.3252 3.3252 3.5737 3.5737 4.0166 4.0166 4.4151 4.4151 4.9580 4.9580 5.2651 5.2651 5.4152 5.4152 6.9443 6.9443 6.9535 6.9535 7.1822 7.1822 7.3088 7.3088 8.1986 8.1986 8.3101 8.3101 8.6619 8.6619 9.3845 9.3845 k = 0.0667 0.1155-0.0000 ( 10507 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.5968 -7.5968 -6.6623 -6.6623 -6.6594 -6.6594 -6.5418 -6.5418 -6.5122 -6.5122 -6.4974 -6.4974 0.6933 0.6933 0.8324 0.8324 1.2029 1.2029 1.6395 1.6395 2.3302 2.3302 2.3643 2.3643 2.6082 2.6082 2.6606 2.6606 3.0468 3.0468 3.0769 3.0769 3.1334 3.1334 3.2981 3.2981 3.3281 3.3281 3.5640 3.5640 4.0500 4.0500 4.3843 4.3843 4.9877 4.9877 5.2790 5.2790 5.4379 5.4379 6.9455 6.9455 6.9539 6.9539 7.1957 7.1957 7.3125 7.3125 8.1883 8.1883 8.2824 8.2824 8.6338 8.6338 9.3755 9.3755 k = 0.0556 0.0962-0.0000 ( 10511 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6035 -7.6035 -6.6597 -6.6597 -6.6577 -6.6577 -6.5352 -6.5352 -6.5096 -6.5096 -6.5008 -6.5008 0.6835 0.6835 0.8229 0.8229 1.1962 1.1962 1.6337 1.6337 2.3397 2.3397 2.3633 2.3633 2.6008 2.6008 2.6552 2.6552 3.0656 3.0656 3.0884 3.0884 3.1302 3.1302 3.2917 3.2917 3.3318 3.3318 3.5555 3.5555 4.0799 4.0799 4.3563 4.3563 5.0128 5.0128 5.2931 5.2931 5.4582 5.4582 6.9466 6.9466 6.9542 6.9542 7.2062 7.2062 7.3159 7.3159 8.1785 8.1785 8.2580 8.2580 8.6102 8.6102 9.3682 9.3682 k = 0.0444 0.0770-0.0000 ( 10521 PWs) bands (ev): -48.9737 -48.9737 -48.9426 -48.9426 -26.5986 -26.5986 -26.5251 -26.5251 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6089 -7.6089 -6.6575 -6.6575 -6.6563 -6.6563 -6.5301 -6.5301 -6.5077 -6.5077 -6.5032 -6.5032 0.6753 0.6753 0.8151 0.8151 1.1906 1.1906 1.6295 1.6295 2.3475 2.3475 2.3623 2.3623 2.5937 2.5937 2.6510 2.6510 3.0812 3.0812 3.0986 3.0986 3.1267 3.1267 3.2865 3.2865 3.3355 3.3355 3.5484 3.5484 4.1059 4.1059 4.3316 4.3316 5.0330 5.0330 5.3066 5.3066 5.4757 5.4757 6.9474 6.9474 6.9544 6.9544 7.2139 7.2139 7.3191 7.3191 8.1691 8.1691 8.2378 8.2378 8.5912 8.5912 9.3624 9.3624 k = 0.0333 0.0577-0.0000 ( 10533 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6132 -7.6132 -6.6559 -6.6559 -6.6550 -6.6550 -6.5265 -6.5265 -6.5080 -6.5080 -6.5029 -6.5029 0.6687 0.6687 0.8090 0.8090 1.1861 1.1861 1.6267 1.6267 2.3525 2.3525 2.3627 2.3627 2.5875 2.5875 2.6479 2.6479 3.0933 3.0933 3.1072 3.1072 3.1235 3.1235 3.2824 3.2824 3.3390 3.3390 3.5427 3.5427 4.1275 4.1275 4.3108 4.3108 5.0484 5.0484 5.3185 5.3185 5.4900 5.4900 6.9480 6.9480 6.9545 6.9545 7.2191 7.2191 7.3219 7.3219 8.1603 8.1603 8.2227 8.2227 8.5767 8.5767 9.3580 9.3580 k = 0.0222 0.0385-0.0000 ( 10533 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6163 -7.6163 -6.6549 -6.6549 -6.6540 -6.6540 -6.5242 -6.5242 -6.5093 -6.5093 -6.5013 -6.5013 0.6639 0.6639 0.8046 0.8046 1.1829 1.1829 1.6249 1.6249 2.3541 2.3541 2.3650 2.3650 2.5826 2.5826 2.6457 2.6457 3.1019 3.1019 3.1135 3.1135 3.1211 3.1211 3.2795 3.2795 3.3417 3.3417 3.5385 3.5385 4.1441 4.1441 4.2946 4.2946 5.0590 5.0590 5.3278 5.3278 5.5006 5.5006 6.9484 6.9484 6.9546 6.9546 7.2224 7.2224 7.3241 7.3241 8.1529 8.1529 8.2125 8.2125 8.5664 8.5664 9.3549 9.3549 k = 0.0111 0.0192-0.0000 ( 10529 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.6181 -7.6181 -6.6543 -6.6543 -6.6533 -6.6533 -6.5229 -6.5229 -6.5103 -6.5103 -6.5000 -6.5000 0.6610 0.6610 0.8020 0.8020 1.1810 1.1810 1.6240 1.6240 2.3541 2.3541 2.3674 2.3674 2.5795 2.5795 2.6445 2.6445 3.1071 3.1071 3.1171 3.1171 3.1199 3.1199 3.2778 3.2778 3.3436 3.3436 3.5359 3.5359 4.1549 4.1549 4.2840 4.2840 5.0653 5.0653 5.3338 5.3338 5.5071 5.5071 6.9487 6.9487 6.9547 6.9547 7.2241 7.2241 7.3255 7.3255 8.1478 8.1478 8.2067 8.2067 8.5602 8.5602 9.3530 9.3530 k = 0.0000 0.0000 0.0000 ( 10521 PWs) bands (ev): -48.9738 -48.9738 -48.9425 -48.9425 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4569 -24.4569 -24.3131 -24.3131 -7.6187 -7.6187 -6.6541 -6.6541 -6.6531 -6.6531 -6.5225 -6.5225 -6.5106 -6.5106 -6.4996 -6.4996 0.6600 0.6600 0.8011 0.8011 1.1803 1.1803 1.6236 1.6236 2.3539 2.3539 2.3683 2.3683 2.5784 2.5784 2.6440 2.6440 3.1088 3.1088 3.1178 3.1178 3.1201 3.1201 3.2772 3.2772 3.3442 3.3442 3.5350 3.5350 4.1586 4.1586 4.2803 4.2803 5.0673 5.0673 5.3358 5.3358 5.5094 5.5094 6.9488 6.9488 6.9547 6.9547 7.2247 7.2247 7.3260 7.3260 8.1460 8.1460 8.2049 8.2049 8.5582 8.5582 9.3524 9.3524 k = 0.0000 0.0000 0.0000 ( 10521 PWs) bands (ev): -48.9738 -48.9738 -48.9425 -48.9425 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4569 -24.4569 -24.3131 -24.3131 -7.6187 -7.6187 -6.6541 -6.6541 -6.6531 -6.6531 -6.5225 -6.5225 -6.5106 -6.5106 -6.4996 -6.4996 0.6600 0.6600 0.8011 0.8011 1.1803 1.1803 1.6236 1.6236 2.3539 2.3539 2.3683 2.3683 2.5784 2.5784 2.6440 2.6440 3.1088 3.1088 3.1178 3.1178 3.1201 3.1201 3.2772 3.2772 3.3442 3.3442 3.5350 3.5350 4.1586 4.1586 4.2803 4.2803 5.0673 5.0673 5.3358 5.3358 5.5094 5.5094 6.9488 6.9488 6.9547 6.9547 7.2247 7.2247 7.3260 7.3260 8.1460 8.1460 8.2049 8.2049 8.5582 8.5582 9.3524 9.3524 k = 0.0000 0.0000 0.0222 ( 10521 PWs) bands (ev): -48.9738 -48.9738 -48.9426 -48.9426 -26.5985 -26.5985 -26.5252 -26.5252 -24.5710 -24.5710 -24.5182 -24.5182 -24.4570 -24.4570 -24.3134 -24.3134 -7.6178 -7.6178 -6.6539 -6.6539 -6.6529 -6.6529 -6.5226 -6.5226 -6.5119 -6.5119 -6.4997 -6.4997 0.6617 0.6617 0.8041 0.8041 1.1810 1.1810 1.6244 1.6244 2.3527 2.3527 2.3621 2.3621 2.5747 2.5747 2.6483 2.6483 3.0945 3.0945 3.1217 3.1217 3.1224 3.1224 3.2883 3.2883 3.3343 3.3343 3.5472 3.5472 4.1551 4.1551 4.2800 4.2800 5.0641 5.0641 5.3349 5.3349 5.5108 5.5108 6.9480 6.9480 6.9544 6.9544 7.2246 7.2246 7.3257 7.3257 8.1497 8.1497 8.2080 8.2080 8.5540 8.5540 9.3535 9.3535 k = 0.0000 0.0000 0.0445 ( 10533 PWs) bands (ev): -48.9738 -48.9738 -48.9427 -48.9427 -26.5982 -26.5982 -26.5254 -26.5254 -24.5703 -24.5703 -24.5181 -24.5181 -24.4572 -24.4572 -24.3142 -24.3142 -7.6151 -7.6151 -6.6535 -6.6535 -6.6524 -6.6524 -6.5229 -6.5229 -6.5160 -6.5160 -6.5001 -6.5001 0.6667 0.6667 0.8132 0.8132 1.1832 1.1832 1.6269 1.6269 2.3448 2.3448 2.3489 2.3489 2.5639 2.5639 2.6596 2.6596 3.0688 3.0688 3.1241 3.1241 3.1260 3.1260 3.3101 3.3101 3.3168 3.3168 3.5781 3.5781 4.1449 4.1449 4.2790 4.2790 5.0546 5.0546 5.3320 5.3320 5.5151 5.5151 6.9457 6.9457 6.9535 6.9535 7.2242 7.2242 7.3246 7.3246 8.1605 8.1605 8.2173 8.2173 8.5413 8.5413 9.3569 9.3569 k = 0.0000 0.0000 0.0667 ( 10533 PWs) bands (ev): -48.9736 -48.9736 -48.9428 -48.9428 -26.5978 -26.5978 -26.5257 -26.5257 -24.5691 -24.5691 -24.5178 -24.5178 -24.4575 -24.4575 -24.3156 -24.3156 -7.6105 -7.6105 -6.6528 -6.6528 -6.6516 -6.6516 -6.5235 -6.5235 -6.5227 -6.5227 -6.5008 -6.5008 0.6750 0.6750 0.8282 0.8282 1.1868 1.1868 1.6308 1.6308 2.3191 2.3191 2.3426 2.3426 2.5467 2.5467 2.6755 2.6755 3.0387 3.0387 3.1229 3.1229 3.1322 3.1322 3.2799 3.2799 3.3556 3.3556 3.6196 3.6196 4.1286 4.1286 4.2765 4.2765 5.0390 5.0390 5.3275 5.3275 5.5226 5.5226 6.9419 6.9419 6.9519 6.9519 7.2234 7.2234 7.3227 7.3227 8.1786 8.1786 8.2328 8.2328 8.5201 8.5201 9.3626 9.3626 k = 0.0000 0.0000 0.0889 ( 10539 PWs) bands (ev): -48.9734 -48.9734 -48.9431 -48.9431 -26.5972 -26.5972 -26.5261 -26.5261 -24.5676 -24.5676 -24.5173 -24.5173 -24.4579 -24.4579 -24.3176 -24.3176 -7.6041 -7.6041 -6.6518 -6.6518 -6.6504 -6.6504 -6.5320 -6.5320 -6.5242 -6.5242 -6.5017 -6.5017 0.6866 0.6866 0.8492 0.8492 1.1917 1.1917 1.6363 1.6363 2.2876 2.2876 2.3339 2.3339 2.5242 2.5242 2.6930 2.6930 3.0070 3.0070 3.1205 3.1205 3.1390 3.1390 3.2482 3.2482 3.4002 3.4002 3.6671 3.6671 4.1069 4.1069 4.2718 4.2718 5.0177 5.0177 5.3213 5.3213 5.5337 5.5337 6.9365 6.9365 6.9495 6.9495 7.2223 7.2223 7.3201 7.3201 8.2037 8.2037 8.2545 8.2545 8.4905 8.4905 9.3706 9.3706 k = 0.0000 0.0000 0.1111 ( 10527 PWs) bands (ev): -48.9730 -48.9730 -48.9433 -48.9433 -26.5964 -26.5964 -26.5266 -26.5266 -24.5655 -24.5655 -24.5168 -24.5168 -24.4585 -24.4585 -24.3201 -24.3201 -7.5959 -7.5959 -6.6505 -6.6505 -6.6489 -6.6489 -6.5439 -6.5439 -6.5252 -6.5252 -6.5029 -6.5029 0.7014 0.7014 0.8760 0.8760 1.1981 1.1981 1.6433 1.6433 2.2522 2.2522 2.3227 2.3227 2.4975 2.4975 2.7102 2.7102 2.9752 2.9752 3.1178 3.1178 3.1452 3.1452 3.2174 3.2174 3.4485 3.4485 3.7183 3.7183 4.0805 4.0805 4.2641 4.2641 4.9916 4.9916 5.3140 5.3140 5.5488 5.5488 6.9296 6.9296 6.9464 6.9464 7.2206 7.2206 7.3165 7.3165 8.2359 8.2359 8.2825 8.2825 8.4525 8.4525 9.3807 9.3807 k = 0.0000 0.0000 0.1334 ( 10515 PWs) bands (ev): -48.9726 -48.9726 -48.9437 -48.9437 -26.5955 -26.5955 -26.5272 -26.5272 -24.5631 -24.5631 -24.5161 -24.5161 -24.4591 -24.4591 -24.3231 -24.3231 -7.5860 -7.5860 -6.6489 -6.6489 -6.6471 -6.6471 -6.5582 -6.5582 -6.5265 -6.5265 -6.5044 -6.5044 0.7195 0.7195 0.9086 0.9086 1.2058 1.2058 1.6516 1.6516 2.2145 2.2145 2.3092 2.3092 2.4677 2.4677 2.7257 2.7257 2.9436 2.9436 3.1156 3.1156 3.1493 3.1493 3.1886 3.1886 3.4995 3.4995 3.7721 3.7721 4.0498 4.0498 4.2528 4.2528 4.9617 4.9617 5.3056 5.3056 5.5681 5.5681 6.9213 6.9213 6.9423 6.9423 7.2182 7.2182 7.3120 7.3120 8.2748 8.2748 8.3165 8.3165 8.4064 8.4064 9.3930 9.3930 k = 0.0000 0.0000 0.1556 ( 10491 PWs) bands (ev): -48.9722 -48.9722 -48.9440 -48.9440 -26.5944 -26.5944 -26.5280 -26.5280 -24.5601 -24.5601 -24.5154 -24.5154 -24.4599 -24.4599 -24.3266 -24.3266 -7.5742 -7.5742 -6.6472 -6.6472 -6.6450 -6.6450 -6.5749 -6.5749 -6.5279 -6.5279 -6.5061 -6.5061 0.7407 0.7407 0.9467 0.9467 1.2148 1.2148 1.6611 1.6611 2.1753 2.1753 2.2935 2.2935 2.4358 2.4358 2.7384 2.7384 2.9124 2.9124 3.1145 3.1145 3.1504 3.1504 3.1621 3.1621 3.5525 3.5525 3.8278 3.8278 4.0149 4.0149 4.2373 4.2373 4.9295 4.9295 5.2964 5.2964 5.5918 5.5918 6.9117 6.9117 6.9373 6.9373 7.2150 7.2150 7.3064 7.3064 8.3201 8.3201 8.3525 8.3525 8.3564 8.3564 9.4075 9.4075 k = 0.0000 0.0000 0.1778 ( 10509 PWs) bands (ev): -48.9717 -48.9717 -48.9446 -48.9446 -26.5932 -26.5932 -26.5289 -26.5289 -24.5568 -24.5568 -24.5145 -24.5145 -24.4608 -24.4608 -24.3306 -24.3306 -7.5608 -7.5608 -6.6452 -6.6452 -6.6426 -6.6426 -6.5938 -6.5938 -6.5295 -6.5295 -6.5080 -6.5080 0.7649 0.7649 0.9902 0.9902 1.2250 1.2250 1.6718 1.6718 2.1353 2.1353 2.2758 2.2758 2.4025 2.4025 2.7481 2.7481 2.8816 2.8816 3.1152 3.1152 3.1383 3.1383 3.1476 3.1476 3.6071 3.6071 3.8851 3.8851 3.9759 3.9759 4.2170 4.2170 4.8966 4.8966 5.2867 5.2867 5.6199 5.6199 6.9011 6.9011 6.9316 6.9316 7.2107 7.2107 7.2995 7.2995 8.2910 8.2910 8.3716 8.3716 8.4022 8.4022 9.4238 9.4238 k = 0.0000 0.0000 0.2000 ( 10485 PWs) bands (ev): -48.9712 -48.9712 -48.9449 -48.9449 -26.5918 -26.5918 -26.5298 -26.5298 -24.5530 -24.5530 -24.5135 -24.5135 -24.4618 -24.4618 -24.3351 -24.3351 -7.5456 -7.5456 -6.6432 -6.6432 -6.6399 -6.6399 -6.6146 -6.6146 -6.5314 -6.5314 -6.5102 -6.5102 0.7922 0.7922 1.0388 1.0388 1.2365 1.2365 1.6834 1.6834 2.0950 2.0950 2.2561 2.2561 2.3685 2.3685 2.7546 2.7546 2.8513 2.8513 3.1169 3.1169 3.1181 3.1181 3.1401 3.1401 3.6629 3.6629 3.9325 3.9325 3.9436 3.9436 4.1917 4.1917 4.8648 4.8648 5.2766 5.2766 5.6525 5.6525 6.8898 6.8898 6.9253 6.9253 7.2054 7.2054 7.2913 7.2913 8.2227 8.2227 8.4288 8.4288 8.4535 8.4535 9.4420 9.4420 k = 0.0000 0.0000 0.2223 ( 10485 PWs) bands (ev): -48.9707 -48.9707 -48.9455 -48.9455 -26.5903 -26.5903 -26.5309 -26.5309 -24.5489 -24.5489 -24.5125 -24.5125 -24.4629 -24.4629 -24.3401 -24.3401 -7.5288 -7.5288 -6.6437 -6.6437 -6.6369 -6.6369 -6.6346 -6.6346 -6.5334 -6.5334 -6.5127 -6.5127 0.8223 0.8223 1.0924 1.0924 1.2491 1.2491 1.6957 1.6957 2.0547 2.0547 2.2345 2.2345 2.3343 2.3343 2.7582 2.7582 2.8218 2.8218 3.0976 3.0976 3.1236 3.1236 3.1275 3.1275 3.7195 3.7195 3.8846 3.8846 4.0031 4.0031 4.1611 4.1611 4.8354 4.8354 5.2660 5.2660 5.6894 5.6894 6.8782 6.8782 6.9187 6.9187 7.1987 7.1987 7.2817 7.2817 8.1481 8.1481 8.4911 8.4911 8.5099 8.5099 9.4618 9.4618 k = 0.0000 0.0000 0.2445 ( 10491 PWs) bands (ev): -48.9701 -48.9701 -48.9461 -48.9461 -26.5886 -26.5886 -26.5321 -26.5321 -24.5443 -24.5443 -24.5113 -24.5113 -24.4640 -24.4640 -24.3455 -24.3455 -7.5104 -7.5104 -6.6641 -6.6641 -6.6363 -6.6363 -6.6337 -6.6337 -6.5357 -6.5357 -6.5154 -6.5154 0.8553 0.8553 1.1507 1.1507 1.2629 1.2629 1.7085 1.7085 2.0147 2.0147 2.2113 2.2113 2.3004 2.3004 2.7594 2.7594 2.7934 2.7934 3.0798 3.0798 3.1098 3.1098 3.1318 3.1318 3.7768 3.7768 3.8317 3.8317 4.0633 4.0633 4.1256 4.1256 4.8093 4.8093 5.2550 5.2550 5.7306 5.7306 6.8667 6.8667 6.9121 6.9121 7.1908 7.1908 7.2704 7.2704 8.0679 8.0679 8.5581 8.5581 8.5711 8.5711 9.4830 9.4830 k = 0.0000 0.0000 0.2667 ( 10485 PWs) bands (ev): -48.9694 -48.9694 -48.9468 -48.9468 -26.5869 -26.5869 -26.5334 -26.5334 -24.5394 -24.5394 -24.5100 -24.5100 -24.4653 -24.4653 -24.3512 -24.3512 -7.4904 -7.4904 -6.6903 -6.6903 -6.6337 -6.6337 -6.6303 -6.6303 -6.5381 -6.5381 -6.5183 -6.5183 0.8909 0.8909 1.2134 1.2134 1.2777 1.2777 1.7216 1.7216 1.9752 1.9752 2.1865 2.1865 2.2672 2.2672 2.7589 2.7589 2.7667 2.7667 3.0631 3.0631 3.0868 3.0868 3.1429 3.1429 3.7735 3.7735 3.8345 3.8345 4.0858 4.0858 4.1242 4.1242 4.7869 4.7869 5.2432 5.2432 5.7759 5.7759 6.8560 6.8560 6.9060 6.9060 7.1813 7.1813 7.2575 7.2575 7.9830 7.9830 8.6291 8.6291 8.6365 8.6365 9.5051 9.5051 k = 0.0000 0.0000 0.2889 ( 10509 PWs) bands (ev): -48.9688 -48.9688 -48.9475 -48.9475 -26.5850 -26.5850 -26.5348 -26.5348 -24.5341 -24.5341 -24.5087 -24.5087 -24.4667 -24.4667 -24.3574 -24.3574 -7.4689 -7.4689 -6.7184 -6.7184 -6.6306 -6.6306 -6.6266 -6.6266 -6.5407 -6.5407 -6.5214 -6.5214 0.9291 0.9291 1.2800 1.2800 1.2935 1.2935 1.7346 1.7346 1.9364 1.9364 2.1603 2.1603 2.2348 2.2348 2.7424 2.7424 2.7573 2.7573 3.0467 3.0467 3.0587 3.0587 3.1569 3.1569 3.7099 3.7099 3.8923 3.8923 4.0428 4.0428 4.1854 4.1854 4.7679 4.7679 5.2304 5.2304 5.8253 5.8253 6.8464 6.8464 6.9007 6.9007 7.1703 7.1703 7.2428 7.2428 7.8941 7.8941 8.7035 8.7035 8.7056 8.7056 9.5277 9.5277 k = 0.0000 0.0000 0.3112 ( 10533 PWs) bands (ev): -48.9681 -48.9681 -48.9483 -48.9483 -26.5831 -26.5831 -26.5363 -26.5363 -24.5285 -24.5285 -24.5072 -24.5072 -24.4682 -24.4682 -24.3639 -24.3639 -7.4460 -7.4460 -6.7479 -6.7479 -6.6273 -6.6273 -6.6227 -6.6227 -6.5436 -6.5436 -6.5248 -6.5248 0.9697 0.9697 1.3103 1.3103 1.3501 1.3501 1.7472 1.7472 1.8985 1.8985 2.1328 2.1328 2.2036 2.2036 2.7213 2.7213 2.7556 2.7556 3.0258 3.0258 3.0302 3.0302 3.1737 3.1737 3.6411 3.6411 3.9500 3.9500 3.9976 3.9976 4.2469 4.2469 4.7517 4.7517 5.2163 5.2163 5.8787 5.8787 6.8385 6.8385 6.8968 6.8968 7.1576 7.1576 7.2261 7.2261 7.8021 7.8021 8.7778 8.7778 8.7806 8.7806 9.5502 9.5502 k = 0.0000 0.0000 0.3334 ( 10526 PWs) bands (ev): -48.9673 -48.9673 -48.9491 -48.9491 -26.5810 -26.5810 -26.5379 -26.5379 -24.5225 -24.5225 -24.5057 -24.5057 -24.4697 -24.4697 -24.3707 -24.3707 -7.4216 -7.4216 -6.7786 -6.7786 -6.6238 -6.6238 -6.6186 -6.6186 -6.5465 -6.5465 -6.5283 -6.5283 1.0126 1.0126 1.3280 1.3280 1.4229 1.4229 1.7591 1.7591 1.8615 1.8615 2.1045 2.1045 2.1737 2.1737 2.7041 2.7041 2.7542 2.7542 2.9882 2.9882 3.0134 3.0134 3.1932 3.1932 3.5674 3.5674 3.9512 3.9512 4.0074 4.0074 4.3084 4.3084 4.7372 4.7372 5.2004 5.2004 5.9360 5.9360 6.8329 6.8329 6.8946 6.8946 7.1433 7.1433 7.2074 7.2074 7.7079 7.7079 8.8525 8.8525 8.8598 8.8598 9.5721 9.5721 k = 0.0000 0.0000 0.3556 ( 10562 PWs) bands (ev): -48.9667 -48.9667 -48.9500 -48.9500 -26.5789 -26.5789 -26.5396 -26.5396 -24.5162 -24.5162 -24.5042 -24.5042 -24.4713 -24.4713 -24.3779 -24.3779 -7.3959 -7.3959 -6.8103 -6.8103 -6.6201 -6.6201 -6.6144 -6.6144 -6.5497 -6.5497 -6.5320 -6.5320 1.0575 1.0575 1.3465 1.3465 1.4972 1.4972 1.7703 1.7703 1.8254 1.8254 2.0761 2.0761 2.1453 2.1453 2.6917 2.6917 2.7537 2.7537 2.9461 2.9461 2.9958 2.9958 3.2153 3.2153 3.4898 3.4898 3.9043 3.9043 4.0643 4.0643 4.3698 4.3698 4.7234 4.7234 5.1823 5.1823 5.9970 5.9970 6.8298 6.8298 6.8946 6.8946 7.1274 7.1274 7.1865 7.1865 7.6123 7.6123 8.9288 8.9288 8.9403 8.9403 9.5924 9.5924 k = 0.0000 0.0000 0.3778 ( 10562 PWs) bands (ev): -48.9658 -48.9658 -48.9508 -48.9508 -26.5767 -26.5767 -26.5414 -26.5414 -24.5096 -24.5096 -24.5025 -24.5025 -24.4730 -24.4730 -24.3852 -24.3852 -7.3690 -7.3690 -6.8430 -6.8430 -6.6164 -6.6164 -6.6100 -6.6100 -6.5530 -6.5530 -6.5359 -6.5359 1.1042 1.1042 1.3659 1.3659 1.5702 1.5702 1.7813 1.7813 1.7905 1.7905 2.0490 2.0490 2.1185 2.1185 2.6846 2.6846 2.7545 2.7545 2.8996 2.8996 2.9776 2.9776 3.2399 3.2399 3.4095 3.4095 3.8575 3.8575 4.1203 4.1203 4.4308 4.4308 4.7092 4.7092 5.1615 5.1615 6.0617 6.0617 6.8298 6.8298 6.8971 6.8971 7.1099 7.1099 7.1630 7.1630 7.5165 7.5165 9.0060 9.0060 9.0214 9.0214 9.6102 9.6102 k = 0.0000 0.0000 0.4001 ( 10562 PWs) bands (ev): -48.9650 -48.9650 -48.9517 -48.9517 -26.5745 -26.5745 -26.5433 -26.5433 -24.5027 -24.5027 -24.5008 -24.5008 -24.4747 -24.4747 -24.3928 -24.3928 -7.3408 -7.3408 -6.8764 -6.8764 -6.6125 -6.6125 -6.6055 -6.6055 -6.5564 -6.5564 -6.5400 -6.5400 1.1527 1.1527 1.3860 1.3860 1.6357 1.6357 1.7566 1.7566 1.7960 1.7960 2.0257 2.0257 2.0934 2.0934 2.6834 2.6834 2.7570 2.7570 2.8486 2.8486 2.9587 2.9587 3.2667 3.2667 3.3280 3.3280 3.8110 3.8110 4.1752 4.1752 4.4912 4.4912 4.6938 4.6938 5.1377 5.1377 6.1300 6.1300 6.8329 6.8329 6.9023 6.9023 7.0910 7.0910 7.1362 7.1362 7.4219 7.4219 9.0832 9.0832 9.1021 9.1021 9.6244 9.6244 k = 0.0000 0.0000 0.4223 ( 10562 PWs) bands (ev): -48.9641 -48.9641 -48.9526 -48.9526 -26.5722 -26.5722 -26.5452 -26.5452 -24.4990 -24.4990 -24.4956 -24.4956 -24.4765 -24.4765 -24.4005 -24.4005 -7.3116 -7.3116 -6.9104 -6.9104 -6.6085 -6.6085 -6.6008 -6.6008 -6.5600 -6.5600 -6.5442 -6.5442 1.2025 1.2025 1.4069 1.4069 1.6788 1.6788 1.7238 1.7238 1.8247 1.8247 2.0100 2.0100 2.0699 2.0699 2.6884 2.6884 2.7613 2.7613 2.7930 2.7930 2.9394 2.9394 3.2469 3.2469 3.2957 3.2957 3.7651 3.7651 4.2288 4.2288 4.5508 4.5508 4.6763 4.6763 5.1108 5.1108 6.2017 6.2017 6.8393 6.8393 6.9104 6.9104 7.0707 7.0707 7.1048 7.1048 7.3306 7.3306 9.1595 9.1595 9.1817 9.1817 9.6339 9.6339 k = 0.0000 0.0000 0.4445 ( 10580 PWs) bands (ev): -48.9632 -48.9632 -48.9535 -48.9535 -26.5699 -26.5699 -26.5472 -26.5472 -24.4972 -24.4972 -24.4882 -24.4882 -24.4783 -24.4783 -24.4084 -24.4084 -7.2813 -7.2813 -6.9448 -6.9448 -6.6044 -6.6044 -6.5961 -6.5961 -6.5637 -6.5637 -6.5486 -6.5486 1.2535 1.2535 1.4286 1.4286 1.6883 1.6883 1.6920 1.6920 1.8709 1.8709 2.0097 2.0097 2.0482 2.0482 2.6997 2.6997 2.7324 2.7324 2.7675 2.7675 2.9197 2.9197 3.1679 3.1679 3.3267 3.3267 3.7199 3.7199 4.2808 4.2808 4.6095 4.6095 4.6562 4.6562 5.0804 5.0804 6.2766 6.2766 6.8489 6.8489 6.9215 6.9215 7.0492 7.0492 7.0654 7.0654 7.2466 7.2466 9.2337 9.2337 9.2591 9.2591 9.6374 9.6374 k = 0.0000 0.0000 0.4667 ( 10556 PWs) bands (ev): -48.9622 -48.9622 -48.9544 -48.9544 -26.5675 -26.5675 -26.5493 -26.5493 -24.4954 -24.4954 -24.4806 -24.4806 -24.4801 -24.4801 -24.4165 -24.4165 -7.2501 -7.2501 -6.9794 -6.9794 -6.6003 -6.6003 -6.5913 -6.5913 -6.5676 -6.5676 -6.5531 -6.5531 1.3053 1.3053 1.4511 1.4511 1.6614 1.6614 1.6729 1.6729 1.9112 1.9112 2.0283 2.0283 2.0394 2.0394 2.6664 2.6664 2.7174 2.7174 2.7757 2.7757 2.9001 2.9001 3.0927 3.0927 3.3596 3.3596 3.6755 3.6755 4.3309 4.3309 4.6331 4.6331 4.6668 4.6668 5.0465 5.0465 6.3547 6.3547 6.8615 6.8615 6.9356 6.9356 7.0129 7.0129 7.0269 7.0269 7.1758 7.1758 9.3049 9.3049 9.3334 9.3334 9.6339 9.6339 k = 0.0000 0.0000 0.4890 ( 10556 PWs) bands (ev): -48.9613 -48.9613 -48.9554 -48.9554 -26.5652 -26.5652 -26.5515 -26.5515 -24.4935 -24.4935 -24.4820 -24.4820 -24.4729 -24.4729 -24.4245 -24.4245 -7.2181 -7.2181 -7.0142 -7.0142 -6.5961 -6.5961 -6.5865 -6.5865 -6.5715 -6.5715 -6.5577 -6.5577 1.3575 1.3575 1.4744 1.4744 1.6318 1.6318 1.6430 1.6430 1.9316 1.9316 2.0101 2.0101 2.1025 2.1025 2.5949 2.5949 2.7415 2.7415 2.7859 2.7859 2.8808 2.8808 3.0228 3.0228 3.3943 3.3943 3.6319 3.6319 4.3788 4.3788 4.6066 4.6066 4.7226 4.7226 5.0092 5.0092 6.4355 6.4355 6.8768 6.8768 6.9444 6.9444 6.9526 6.9526 7.0040 7.0040 7.1220 7.1220 9.3717 9.3717 9.4034 9.4034 9.6224 9.6224 k = 0.0000 0.0000 0.5112 ( 10574 PWs) bands (ev): -48.9604 -48.9604 -48.9564 -48.9564 -26.5629 -26.5629 -26.5537 -26.5537 -24.4916 -24.4916 -24.4839 -24.4839 -24.4650 -24.4650 -24.4327 -24.4327 -7.1853 -7.1853 -7.0490 -7.0490 -6.5920 -6.5920 -6.5817 -6.5817 -6.5755 -6.5755 -6.5624 -6.5624 1.4097 1.4097 1.4984 1.4984 1.6033 1.6033 1.6043 1.6043 1.9434 1.9434 1.9937 1.9937 2.1820 2.1820 2.5182 2.5182 2.7719 2.7719 2.7980 2.7980 2.8620 2.8620 2.9592 2.9592 3.4306 3.4306 3.5894 3.5894 4.4243 4.4243 4.5768 4.5768 4.7765 4.7765 4.9685 4.9685 6.5188 6.5188 6.8641 6.8641 6.8946 6.8946 6.9723 6.9723 6.9809 6.9809 7.0813 7.0813 9.4330 9.4330 9.4681 9.4681 9.6022 9.6022 k = 0.0000 0.0000 0.5334 ( 10574 PWs) bands (ev): -48.9594 -48.9594 -48.9573 -48.9573 -26.5605 -26.5605 -26.5559 -26.5559 -24.4897 -24.4897 -24.4858 -24.4858 -24.4570 -24.4570 -24.4408 -24.4408 -7.1518 -7.1518 -7.0836 -7.0836 -6.5878 -6.5878 -6.5795 -6.5795 -6.5768 -6.5768 -6.5671 -6.5671 1.4614 1.4614 1.5233 1.5233 1.5598 1.5598 1.5757 1.5757 1.9541 1.9541 1.9789 1.9789 2.2669 2.2669 2.4371 2.4371 2.8088 2.8088 2.8119 2.8119 2.8441 2.8441 2.9023 2.9023 3.4683 3.4683 3.5478 3.5478 4.4670 4.4670 4.5435 4.5435 4.8284 4.8284 4.9246 4.9246 6.6043 6.6043 6.7784 6.7784 6.9143 6.9143 6.9580 6.9580 6.9948 6.9948 7.0484 7.0484 9.4876 9.4876 9.5265 9.5265 9.5728 9.5728 k = 0.0000 0.0000 0.5556 ( 10550 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1179 -7.1179 -7.1179 -7.1179 -6.5836 -6.5836 -6.5836 -6.5836 -6.5720 -6.5720 -6.5720 -6.5720 1.5117 1.5117 1.5117 1.5117 1.5490 1.5490 1.5490 1.5490 1.9658 1.9658 1.9658 1.9658 2.3527 2.3527 2.3527 2.3527 2.8273 2.8273 2.8273 2.8273 2.8522 2.8522 2.8522 2.8522 3.5074 3.5074 3.5074 3.5074 4.5069 4.5069 4.5069 4.5069 4.8779 4.8779 4.8779 4.8779 6.6912 6.6912 6.6912 6.6912 6.9356 6.9356 6.9356 6.9356 7.0200 7.0200 7.0200 7.0200 9.5345 9.5345 9.5345 9.5345 9.5776 9.5776 k = 0.0000 0.0000 0.5556 ( 10550 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1179 -7.1179 -7.1179 -7.1179 -6.5836 -6.5836 -6.5836 -6.5836 -6.5720 -6.5720 -6.5720 -6.5720 1.5117 1.5117 1.5117 1.5117 1.5490 1.5490 1.5490 1.5490 1.9658 1.9658 1.9658 1.9658 2.3527 2.3527 2.3527 2.3527 2.8273 2.8273 2.8273 2.8273 2.8522 2.8522 2.8522 2.8522 3.5074 3.5074 3.5074 3.5074 4.5069 4.5069 4.5069 4.5069 4.8779 4.8779 4.8779 4.8779 6.6912 6.6912 6.6912 6.6912 6.9356 6.9356 6.9356 6.9356 7.0200 7.0200 7.0200 7.0200 9.5345 9.5345 9.5345 9.5345 9.5776 9.5776 k = 0.0192 0.0111 0.5556 ( 10562 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1175 -7.1175 -7.1175 -7.1175 -6.5839 -6.5839 -6.5839 -6.5839 -6.5722 -6.5722 -6.5722 -6.5722 1.5035 1.5035 1.5035 1.5035 1.5552 1.5552 1.5552 1.5552 1.9686 1.9686 1.9686 1.9686 2.3513 2.3513 2.3513 2.3513 2.8243 2.8243 2.8250 2.8250 2.8555 2.8555 2.8560 2.8560 3.5099 3.5099 3.5099 3.5099 4.5060 4.5060 4.5060 4.5060 4.8767 4.8767 4.8767 4.8767 6.6914 6.6914 6.6914 6.6914 6.9358 6.9358 6.9359 6.9359 7.0205 7.0205 7.0205 7.0205 9.5316 9.5316 9.5318 9.5318 9.5746 9.5746 k = 0.0385 0.0222 0.5556 ( 10558 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1161 -7.1161 -7.1161 -7.1161 -6.5847 -6.5847 -6.5847 -6.5847 -6.5730 -6.5730 -6.5730 -6.5730 1.4864 1.4864 1.4865 1.4865 1.5662 1.5662 1.5663 1.5663 1.9767 1.9767 1.9770 1.9770 2.3468 2.3468 2.3471 2.3471 2.8174 2.8174 2.8210 2.8210 2.8623 2.8623 2.8653 2.8653 3.5173 3.5173 3.5174 3.5174 4.5034 4.5034 4.5036 4.5036 4.8732 4.8732 4.8733 4.8733 6.6922 6.6922 6.6923 6.6923 6.9361 6.9361 6.9366 6.9366 7.0218 7.0218 7.0223 7.0223 9.5219 9.5219 9.5234 9.5234 9.5658 9.5658 k = 0.0577 0.0333 0.5556 ( 10546 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1139 -7.1139 -7.1139 -7.1139 -6.5861 -6.5861 -6.5860 -6.5860 -6.5744 -6.5744 -6.5742 -6.5742 1.4666 1.4666 1.4667 1.4667 1.5762 1.5762 1.5764 1.5764 1.9900 1.9900 1.9908 1.9908 2.3393 2.3393 2.3404 2.3404 2.8090 2.8090 2.8178 2.8178 2.8704 2.8704 2.8773 2.8773 3.5294 3.5294 3.5296 3.5296 4.4991 4.4991 4.4997 4.4997 4.8674 4.8674 4.8678 4.8678 6.6934 6.6934 6.6939 6.6939 6.9360 6.9360 6.9379 6.9379 7.0241 7.0241 7.0256 7.0256 9.5041 9.5041 9.5084 9.5084 9.5528 9.5528 k = 0.0769 0.0444 0.5556 ( 10522 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1108 -7.1108 -7.1108 -7.1108 -6.5882 -6.5882 -6.5878 -6.5878 -6.5762 -6.5762 -6.5759 -6.5759 1.4458 1.4458 1.4462 1.4462 1.5836 1.5836 1.5842 1.5842 2.0079 2.0079 2.0097 2.0097 2.3289 2.3289 2.3313 2.3313 2.8000 2.8000 2.8162 2.8162 2.8789 2.8789 2.8908 2.8908 3.5461 3.5461 3.5465 3.5465 4.4930 4.4930 4.4944 4.4944 4.8596 4.8596 4.8604 4.8604 6.6950 6.6950 6.6963 6.6963 6.9352 6.9352 6.9395 6.9395 7.0272 7.0272 7.0305 7.0305 9.4775 9.4775 9.4855 9.4855 9.5377 9.5377 k = 0.0962 0.0555 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1068 -7.1068 -7.1068 -7.1068 -6.5909 -6.5909 -6.5901 -6.5901 -6.5786 -6.5786 -6.5779 -6.5779 1.4250 1.4250 1.4256 1.4256 1.5884 1.5884 1.5894 1.5894 2.0298 2.0298 2.0330 2.0330 2.3159 2.3159 2.3203 2.3203 2.7909 2.7909 2.8162 2.8162 2.8876 2.8876 2.9052 2.9052 3.5671 3.5671 3.5678 3.5678 4.4852 4.4852 4.4880 4.4880 4.8499 4.8499 4.8515 4.8515 6.6970 6.6970 6.6995 6.6995 6.9332 6.9332 6.9410 6.9410 7.0313 7.0313 7.0373 7.0373 9.4433 9.4433 9.4549 9.4549 9.5216 9.5216 k = 0.1154 0.0666 0.5556 ( 10526 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1020 -7.1020 -7.1020 -7.1020 -6.5943 -6.5943 -6.5931 -6.5931 -6.5813 -6.5813 -6.5801 -6.5801 1.4047 1.4047 1.4056 1.4056 1.5906 1.5906 1.5921 1.5921 2.0548 2.0548 2.0600 2.0600 2.3006 2.3006 2.3075 2.3075 2.7817 2.7817 2.8176 2.8176 2.8966 2.8966 2.9201 2.9201 3.5919 3.5919 3.5929 3.5929 4.4756 4.4756 4.4807 4.4807 4.8386 4.8386 4.8414 4.8414 6.6993 6.6993 6.7034 6.7034 6.9300 6.9300 6.9421 6.9421 7.0366 7.0366 7.0457 7.0457 9.4031 9.4031 9.4178 9.4178 9.5043 9.5043 k = 0.1346 0.0777 0.5556 ( 10530 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0964 -7.0964 -7.0963 -7.0963 -6.5984 -6.5984 -6.5967 -6.5967 -6.5843 -6.5843 -6.5826 -6.5826 1.3851 1.3851 1.3864 1.3864 1.5908 1.5908 1.5929 1.5929 2.0820 2.0820 2.0896 2.0896 2.2834 2.2834 2.2936 2.2936 2.7726 2.7726 2.8203 2.8203 2.9057 2.9057 2.9351 2.9351 3.6203 3.6203 3.6216 3.6216 4.4646 4.4646 4.4727 4.4727 4.8259 4.8259 4.8305 4.8305 6.7020 6.7020 6.7083 6.7083 6.9253 6.9253 6.9425 6.9425 7.0431 7.0431 7.0555 7.0555 9.3583 9.3583 9.3759 9.3759 9.4857 9.4857 k = 0.1538 0.0888 0.5556 ( 10544 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0900 -7.0900 -7.0899 -7.0899 -6.6032 -6.6032 -6.6011 -6.6011 -6.5874 -6.5874 -6.5853 -6.5853 1.3667 1.3667 1.3684 1.3684 1.5893 1.5893 1.5920 1.5920 2.1102 2.1102 2.1205 2.1205 2.2652 2.2652 2.2792 2.2792 2.7637 2.7637 2.8239 2.8239 2.9151 2.9151 2.9499 2.9499 3.6517 3.6517 3.6531 3.6531 4.4521 4.4521 4.4645 4.4645 4.8120 4.8120 4.8191 4.8191 6.7049 6.7049 6.7140 6.7140 6.9192 6.9192 6.9420 6.9420 7.0506 7.0506 7.0665 7.0665 9.3103 9.3103 9.3304 9.3304 9.4655 9.4655 k = 0.1731 0.0999 0.5556 ( 10544 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0828 -7.0828 -7.0828 -7.0828 -6.6088 -6.6088 -6.6063 -6.6063 -6.5906 -6.5906 -6.5881 -6.5881 1.3495 1.3495 1.3516 1.3516 1.5868 1.5868 1.5902 1.5902 2.1373 2.1373 2.1500 2.1500 2.2475 2.2475 2.2665 2.2665 2.7550 2.7550 2.8283 2.8283 2.9246 2.9246 2.9645 2.9645 3.6857 3.6857 3.6868 3.6868 4.4385 4.4385 4.4565 4.4565 4.7972 4.7972 4.8076 4.8076 6.7081 6.7081 6.7206 6.7206 6.9118 6.9118 6.9405 6.9405 7.0590 7.0590 7.0781 7.0781 9.2603 9.2603 9.2828 9.2828 9.4437 9.4437 k = 0.1923 0.1110 0.5556 ( 10544 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0750 -7.0750 -7.0749 -7.0749 -6.6150 -6.6150 -6.6122 -6.6122 -6.5937 -6.5937 -6.5910 -6.5910 1.3336 1.3336 1.3362 1.3362 1.5838 1.5838 1.5878 1.5878 2.1582 2.1582 2.1719 2.1719 2.2351 2.2351 2.2611 2.2611 2.7467 2.7467 2.8330 2.8330 2.9342 2.9342 2.9785 2.9785 3.7217 3.7217 3.7221 3.7221 4.4240 4.4240 4.4492 4.4492 4.7817 4.7817 4.7963 4.7963 6.7114 6.7114 6.7280 6.7280 6.9032 6.9032 6.9382 6.9382 7.0679 7.0679 7.0900 7.0900 9.2095 9.2095 9.2341 9.2341 9.4206 9.4206 k = 0.2115 0.1221 0.5556 ( 10540 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0665 -7.0665 -7.0663 -7.0663 -6.6219 -6.6219 -6.6189 -6.6189 -6.5969 -6.5969 -6.5940 -6.5940 1.3192 1.3192 1.3221 1.3221 1.5807 1.5807 1.5854 1.5854 2.1614 2.1614 2.1762 2.1762 2.2393 2.2393 2.2726 2.2726 2.7389 2.7389 2.8380 2.8380 2.9440 2.9440 2.9920 2.9920 3.7580 3.7580 3.7592 3.7592 4.4091 4.4091 4.4433 4.4433 4.7657 4.7657 4.7854 4.7854 6.7147 6.7147 6.7360 6.7360 6.8937 6.8937 6.9351 6.9351 7.0770 7.0770 7.1017 7.1017 9.1587 9.1587 9.1853 9.1853 9.3962 9.3962 k = 0.2308 0.1332 0.5556 ( 10542 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0574 -7.0574 -7.0572 -7.0572 -6.6295 -6.6295 -6.6263 -6.6263 -6.5999 -6.5999 -6.5970 -6.5970 1.3061 1.3061 1.3095 1.3095 1.5779 1.5779 1.5834 1.5834 2.1464 2.1464 2.1643 2.1643 2.2601 2.2601 2.2991 2.2991 2.7315 2.7315 2.8430 2.8430 2.9538 2.9538 3.0047 3.0047 3.7938 3.7938 3.7974 3.7974 4.3943 4.3943 4.4393 4.4393 4.7492 4.7492 4.7751 4.7751 6.7179 6.7179 6.7447 6.7447 6.8834 6.8834 6.9318 6.9318 7.0859 7.0859 7.1129 7.1129 9.1088 9.1088 9.1372 9.1372 9.3706 9.3706 k = 0.2500 0.1443 0.5556 ( 10546 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0477 -7.0477 -7.0475 -7.0475 -6.6376 -6.6376 -6.6344 -6.6344 -6.6029 -6.6029 -6.6000 -6.6000 1.2944 1.2944 1.2981 1.2981 1.5760 1.5760 1.5821 1.5821 2.1238 2.1238 2.1447 2.1447 2.2868 2.2868 2.3317 2.3317 2.7248 2.7248 2.8478 2.8478 2.9636 2.9636 3.0166 3.0166 3.8285 3.8285 3.8357 3.8357 4.3802 4.3802 4.4379 4.4379 4.7323 4.7323 4.7656 4.7656 6.7206 6.7206 6.7535 6.7535 6.8727 6.8727 6.9285 6.9285 7.0942 7.0942 7.1232 7.1232 9.0608 9.0608 9.0907 9.0907 9.3443 9.3443 k = 0.2692 0.1554 0.5556 ( 10538 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0376 -7.0376 -7.0374 -7.0374 -6.6462 -6.6462 -6.6430 -6.6430 -6.6058 -6.6058 -6.6029 -6.6029 1.2840 1.2840 1.2879 1.2879 1.5751 1.5751 1.5821 1.5821 2.0983 2.0983 2.1217 2.1217 2.3145 2.3145 2.3659 2.3659 2.7189 2.7189 2.8522 2.8522 2.9734 2.9734 3.0275 3.0275 3.8612 3.8612 3.8731 3.8731 4.3675 4.3675 4.4399 4.4399 4.7152 4.7152 4.7568 4.7568 6.7226 6.7226 6.7620 6.7620 6.8624 6.8624 6.9257 6.9257 7.1016 7.1016 7.1322 7.1322 9.0153 9.0153 9.0464 9.0464 9.3172 9.3172 k = 0.2885 0.1665 0.5556 ( 10536 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0272 -7.0272 -7.0269 -7.0269 -6.6552 -6.6552 -6.6521 -6.6521 -6.6086 -6.6086 -6.6057 -6.6057 1.2748 1.2748 1.2789 1.2789 1.5756 1.5756 1.5834 1.5834 2.0713 2.0713 2.0966 2.0966 2.3417 2.3417 2.3996 2.3996 2.7140 2.7140 2.8560 2.8560 2.9831 2.9831 3.0375 3.0375 3.8911 3.8911 3.9087 3.9087 4.3568 4.3568 4.4457 4.4457 4.6978 4.6978 4.7489 4.7489 6.7236 6.7236 6.7691 6.7691 6.8537 6.8537 6.9238 6.9238 7.1078 7.1078 7.1397 7.1397 8.9729 8.9729 9.0049 9.0049 9.2898 9.2898 k = 0.3077 0.1776 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0165 -7.0165 -7.0162 -7.0162 -6.6646 -6.6646 -6.6616 -6.6616 -6.6111 -6.6111 -6.6085 -6.6085 1.2667 1.2667 1.2708 1.2708 1.5777 1.5777 1.5864 1.5864 2.0436 2.0436 2.0702 2.0702 2.3677 2.3677 2.4318 2.4318 2.7105 2.7105 2.8590 2.8590 2.9926 2.9926 3.0464 3.0464 3.9177 3.9177 3.9415 3.9415 4.3491 4.3491 4.4555 4.4555 4.6802 4.6802 4.7418 4.7418 6.7234 6.7234 6.7729 6.7729 6.8486 6.8486 6.9233 6.9233 7.1126 7.1126 7.1455 7.1455 8.9343 8.9343 8.9667 8.9667 9.2624 9.2624 k = 0.3269 0.1887 0.5556 ( 10520 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0056 -7.0056 -7.0053 -7.0053 -6.6742 -6.6742 -6.6714 -6.6714 -6.6136 -6.6136 -6.6111 -6.6111 1.2596 1.2596 1.2637 1.2637 1.5816 1.5816 1.5912 1.5912 2.0156 2.0156 2.0430 2.0430 2.3922 2.3922 2.4615 2.4615 2.7086 2.7086 2.8608 2.8608 3.0020 3.0020 3.0541 3.0541 3.9406 3.9406 3.9705 3.9705 4.3452 4.3452 4.4692 4.4692 4.6624 4.6624 4.7353 4.7353 6.7218 6.7218 6.7715 6.7715 6.8491 6.8491 6.9244 6.9244 7.1157 7.1157 7.1492 7.1492 8.8998 8.8998 8.9322 8.9322 9.2352 9.2352 k = 0.3462 0.1999 0.5556 ( 10530 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9948 -6.9948 -6.9944 -6.9944 -6.6839 -6.6839 -6.6812 -6.6812 -6.6158 -6.6158 -6.6135 -6.6135 1.2535 1.2535 1.2574 1.2574 1.5873 1.5873 1.5978 1.5978 1.9876 1.9876 2.0153 2.0153 2.4149 2.4149 2.4877 2.4877 2.7091 2.7091 2.8614 2.8614 3.0113 3.0113 3.0607 3.0607 3.9597 3.9597 3.9947 3.9947 4.3458 4.3458 4.4865 4.4865 4.6444 4.6444 4.7293 4.7293 6.7188 6.7188 6.7651 6.7651 6.8553 6.8553 6.9273 6.9273 7.1172 7.1172 7.1509 7.1509 8.8698 8.8698 8.9016 8.9016 9.2088 9.2088 k = 0.3654 0.2110 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9841 -6.9841 -6.9837 -6.9837 -6.6935 -6.6935 -6.6910 -6.6910 -6.6178 -6.6178 -6.6158 -6.6158 1.2482 1.2482 1.2519 1.2519 1.5949 1.5949 1.6062 1.6062 1.9600 1.9600 1.9875 1.9875 2.4358 2.4358 2.5095 2.5095 2.7124 2.7124 2.8604 2.8604 3.0202 3.0202 3.0660 3.0660 3.9754 3.9754 4.0134 4.0134 4.3514 4.3514 4.5063 4.5063 4.6266 4.6266 4.7237 4.7237 6.7149 6.7149 6.7554 6.7554 6.8655 6.8655 6.9318 6.9318 7.1172 7.1172 7.1505 7.1505 8.8445 8.8445 8.8751 8.8751 9.1836 9.1836 k = 0.3846 0.2221 0.5556 ( 10522 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9738 -6.9738 -6.9734 -6.9734 -6.7028 -6.7028 -6.7006 -6.7006 -6.6195 -6.6195 -6.6178 -6.6178 1.2438 1.2438 1.2471 1.2471 1.6042 1.6042 1.6163 1.6163 1.9332 1.9332 1.9599 1.9599 2.4549 2.4549 2.5261 2.5261 2.7191 2.7191 2.8578 2.8578 3.0289 3.0289 3.0701 3.0701 3.9883 3.9883 4.0267 4.0267 4.3617 4.3617 4.5271 4.5271 4.6094 4.6094 4.7180 4.7180 6.7102 6.7102 6.7444 6.7444 6.8780 6.8780 6.9373 6.9373 7.1158 7.1158 7.1481 7.1481 8.8239 8.8239 8.8526 8.8526 9.1602 9.1602 k = 0.4038 0.2332 0.5556 ( 10534 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9642 -6.9642 -6.9638 -6.9638 -6.7115 -6.7115 -6.7096 -6.7096 -6.6210 -6.6210 -6.6195 -6.6195 1.2401 1.2401 1.2430 1.2430 1.6150 1.6150 1.6276 1.6276 1.9077 1.9077 1.9330 1.9330 2.4721 2.4721 2.5374 2.5374 2.7292 2.7292 2.8533 2.8533 3.0371 3.0371 3.0729 3.0729 3.9988 3.9988 4.0349 4.0349 4.3762 4.3762 4.5451 4.5451 4.5956 4.5956 4.7119 4.7119 6.7055 6.7055 6.7332 6.7332 6.8916 6.8916 6.9434 6.9434 7.1134 7.1134 7.1439 7.1439 8.8080 8.8080 8.8340 8.8340 9.1394 9.1394 k = 0.4231 0.2443 0.5556 ( 10512 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9555 -6.9555 -6.9551 -6.9551 -6.7194 -6.7194 -6.7178 -6.7178 -6.6223 -6.6223 -6.6210 -6.6210 1.2372 1.2372 1.2396 1.2396 1.6270 1.6270 1.6395 1.6395 1.8843 1.8843 1.9074 1.9074 2.4876 2.4876 2.5436 2.5436 2.7421 2.7421 2.8469 2.8469 3.0448 3.0448 3.0744 3.0744 4.0075 4.0075 4.0390 4.0390 4.3939 4.3939 4.5494 4.5494 4.5949 4.5949 4.7051 4.7051 6.7011 6.7011 6.7227 6.7227 6.9056 6.9056 6.9492 6.9492 7.1108 7.1108 7.1382 7.1382 8.7966 8.7966 8.8189 8.8189 9.1218 9.1218 k = 0.4423 0.2554 0.5556 ( 10520 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9481 -6.9481 -6.9478 -6.9478 -6.7261 -6.7261 -6.7249 -6.7249 -6.6232 -6.6232 -6.6223 -6.6223 1.2350 1.2350 1.2369 1.2369 1.6393 1.6393 1.6509 1.6509 1.8642 1.8642 1.8840 1.8840 2.5014 2.5014 2.5454 2.5454 2.7569 2.7569 2.8386 2.8386 3.0519 3.0519 3.0746 3.0746 4.0149 4.0149 4.0400 4.0400 4.4137 4.4137 4.5368 4.5368 4.6099 4.6099 4.6971 4.6971 6.6976 6.6976 6.7134 6.7134 6.9191 6.9191 6.9536 6.9536 7.1086 7.1086 7.1315 7.1315 8.7891 8.7891 8.8070 8.8070 9.1080 9.1080 k = 0.4615 0.2665 0.5556 ( 10508 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9425 -6.9425 -6.9422 -6.9422 -6.7312 -6.7312 -6.7303 -6.7303 -6.6238 -6.6238 -6.6232 -6.6232 1.2336 1.2336 1.2348 1.2348 1.6511 1.6511 1.6605 1.6605 1.8489 1.8489 1.8638 1.8638 2.5135 2.5135 2.5437 2.5437 2.7725 2.7725 2.8284 2.8284 3.0582 3.0582 3.0736 3.0736 4.0213 4.0213 4.0387 4.0387 4.4346 4.4346 4.5185 4.5185 4.6284 4.6284 4.6875 4.6875 6.6955 6.6955 6.7058 6.7058 6.9315 6.9315 6.9557 6.9557 7.1078 7.1078 7.1245 7.1245 8.7853 8.7853 8.7978 8.7978 9.0989 9.0989 k = 0.4808 0.2776 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9389 -6.9389 -6.9387 -6.9387 -6.7343 -6.7343 -6.7339 -6.7339 -6.6241 -6.6241 -6.6238 -6.6238 1.2328 1.2328 1.2334 1.2334 1.6607 1.6607 1.6661 1.6661 1.8404 1.8404 1.8486 1.8486 2.5239 2.5239 2.5393 2.5393 2.7880 2.7880 2.8164 2.8164 3.0636 3.0636 3.0714 3.0714 4.0269 4.0269 4.0358 4.0358 4.4561 4.4561 4.4984 4.4984 4.6462 4.6462 4.6759 4.6759 6.6950 6.6950 6.7002 6.7002 6.9420 6.9420 6.9546 6.9546 7.1090 7.1090 7.1179 7.1179 8.7846 8.7846 8.7911 8.7911 9.0948 9.0948 k = 0.5000 0.2887 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9376 -6.9376 -6.9376 -6.9376 -6.7353 -6.7353 -6.7353 -6.7353 -6.6241 -6.6241 -6.6241 -6.6241 1.2328 1.2328 1.2328 1.2328 1.6662 1.6662 1.6662 1.6662 1.8402 1.8402 1.8402 1.8402 2.5326 2.5326 2.5326 2.5326 2.8028 2.8028 2.8028 2.8028 3.0680 3.0680 3.0680 3.0680 4.0317 4.0317 4.0317 4.0317 4.4774 4.4774 4.4774 4.4774 4.6622 4.6622 4.6622 4.6622 6.6966 6.6966 6.6966 6.6966 6.9499 6.9499 6.9499 6.9499 7.1124 7.1124 7.1124 7.1124 8.7866 8.7866 8.7866 8.7866 9.0959 9.0959 k = 0.5000 0.2887 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9376 -6.9376 -6.9376 -6.9376 -6.7353 -6.7353 -6.7353 -6.7353 -6.6241 -6.6241 -6.6241 -6.6241 1.2328 1.2328 1.2328 1.2328 1.6662 1.6662 1.6662 1.6662 1.8402 1.8402 1.8402 1.8402 2.5326 2.5326 2.5326 2.5326 2.8028 2.8028 2.8028 2.8028 3.0680 3.0680 3.0680 3.0680 4.0317 4.0317 4.0317 4.0317 4.4774 4.4774 4.4774 4.4774 4.6622 4.6622 4.6622 4.6622 6.6966 6.6966 6.6966 6.6966 6.9499 6.9499 6.9499 6.9499 7.1124 7.1124 7.1124 7.1124 8.7866 8.7866 8.7866 8.7866 9.0959 9.0959 k = 0.4889 0.3079 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9373 -6.9373 -6.9373 -6.9373 -6.7351 -6.7351 -6.7351 -6.7351 -6.6246 -6.6246 -6.6246 -6.6246 1.2341 1.2341 1.2341 1.2341 1.6657 1.6657 1.6657 1.6657 1.8380 1.8380 1.8380 1.8380 2.5339 2.5339 2.5339 2.5339 2.8027 2.8027 2.8027 2.8027 3.0679 3.0679 3.0679 3.0679 4.0321 4.0321 4.0321 4.0321 4.4780 4.4780 4.4780 4.4780 4.6624 4.6624 4.6624 4.6624 6.6973 6.6973 6.6973 6.6973 6.9492 6.9492 6.9492 6.9492 7.1121 7.1121 7.1121 7.1121 8.7872 8.7872 8.7872 8.7872 9.0952 9.0952 k = 0.4778 0.3272 0.5556 ( 10522 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9366 -6.9366 -6.9366 -6.9366 -6.7345 -6.7345 -6.7345 -6.7345 -6.6259 -6.6259 -6.6259 -6.6259 1.2379 1.2379 1.2379 1.2379 1.6642 1.6642 1.6642 1.6642 1.8316 1.8316 1.8316 1.8316 2.5378 2.5378 2.5378 2.5378 2.8022 2.8022 2.8022 2.8022 3.0676 3.0676 3.0676 3.0676 4.0333 4.0333 4.0333 4.0333 4.4798 4.4798 4.4798 4.4798 4.6630 4.6630 4.6630 4.6630 6.6994 6.6994 6.6994 6.6994 6.9472 6.9472 6.9472 6.9472 7.1111 7.1111 7.1111 7.1111 8.7887 8.7887 8.7887 8.7887 9.0932 9.0932 k = 0.4667 0.3464 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9355 -6.9355 -6.9355 -6.9355 -6.7336 -6.7336 -6.7336 -6.7336 -6.6282 -6.6282 -6.6282 -6.6282 1.2443 1.2443 1.2443 1.2443 1.6618 1.6618 1.6618 1.6618 1.8212 1.8212 1.8212 1.8212 2.5441 2.5441 2.5441 2.5441 2.8015 2.8015 2.8015 2.8015 3.0672 3.0672 3.0672 3.0672 4.0351 4.0351 4.0351 4.0351 4.4826 4.4826 4.4826 4.4826 4.6640 4.6640 4.6640 4.6640 6.7028 6.7028 6.7028 6.7028 6.9437 6.9437 6.9437 6.9437 7.1095 7.1095 7.1095 7.1095 8.7913 8.7913 8.7913 8.7913 9.0899 9.0899 k = 0.4556 0.3657 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9339 -6.9339 -6.9339 -6.9339 -6.7323 -6.7323 -6.7323 -6.7323 -6.6313 -6.6313 -6.6313 -6.6313 1.2532 1.2532 1.2532 1.2532 1.6585 1.6585 1.6585 1.6585 1.8072 1.8072 1.8072 1.8072 2.5521 2.5521 2.5521 2.5521 2.8006 2.8006 2.8006 2.8006 3.0666 3.0666 3.0666 3.0666 4.0375 4.0375 4.0375 4.0375 4.4864 4.4864 4.4864 4.4864 4.6655 4.6655 4.6655 4.6655 6.7076 6.7076 6.7076 6.7076 6.9389 6.9389 6.9389 6.9389 7.1073 7.1073 7.1073 7.1073 8.7950 8.7950 8.7950 8.7950 9.0851 9.0851 k = 0.4444 0.3849 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9319 -6.9319 -6.9319 -6.9319 -6.7306 -6.7306 -6.7306 -6.7306 -6.6353 -6.6353 -6.6353 -6.6353 1.2644 1.2644 1.2644 1.2644 1.6542 1.6542 1.6542 1.6542 1.7903 1.7903 1.7903 1.7903 2.5615 2.5615 2.5615 2.5615 2.7997 2.7997 2.7997 2.7997 3.0660 3.0660 3.0660 3.0660 4.0404 4.0404 4.0404 4.0404 4.4908 4.4908 4.4908 4.4908 4.6675 4.6675 4.6675 4.6675 6.7136 6.7136 6.7136 6.7136 6.9328 6.9328 6.9328 6.9328 7.1046 7.1046 7.1046 7.1046 8.7998 8.7998 8.7998 8.7998 9.0789 9.0789 k = 0.4333 0.4041 0.5556 ( 10502 PWs) bands (ev): -48.9581 -48.9581 -48.9581 -48.9581 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9296 -6.9296 -6.9296 -6.9296 -6.7286 -6.7286 -6.7286 -6.7286 -6.6399 -6.6399 -6.6399 -6.6399 1.2779 1.2779 1.2779 1.2779 1.6490 1.6490 1.6490 1.6490 1.7711 1.7711 1.7711 1.7711 2.5717 2.5717 2.5717 2.5717 2.7988 2.7988 2.7988 2.7988 3.0653 3.0653 3.0653 3.0653 4.0436 4.0436 4.0436 4.0436 4.4958 4.4958 4.4958 4.4958 4.6700 4.6700 4.6700 4.6700 6.7208 6.7208 6.7208 6.7208 6.9255 6.9255 6.9255 6.9255 7.1015 7.1015 7.1015 7.1015 8.8059 8.8059 8.8059 8.8059 9.0712 9.0712 k = 0.4222 0.4234 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9269 -6.9269 -6.9269 -6.9269 -6.7262 -6.7262 -6.7262 -6.7262 -6.6453 -6.6453 -6.6453 -6.6453 1.2934 1.2934 1.2934 1.2934 1.6431 1.6431 1.6431 1.6431 1.7502 1.7502 1.7502 1.7502 2.5820 2.5820 2.5820 2.5820 2.7980 2.7980 2.7980 2.7980 3.0645 3.0645 3.0645 3.0645 4.0469 4.0469 4.0469 4.0469 4.5009 4.5009 4.5009 4.5009 4.6731 4.6731 4.6731 4.6731 6.7290 6.7290 6.7290 6.7290 6.9170 6.9170 6.9170 6.9170 7.0980 7.0980 7.0980 7.0980 8.8132 8.8132 8.8132 8.8132 9.0620 9.0620 k = 0.4111 0.4426 0.5556 ( 10526 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9241 -6.9241 -6.9241 -6.9241 -6.7235 -6.7235 -6.7235 -6.7235 -6.6511 -6.6511 -6.6511 -6.6511 1.3107 1.3107 1.3107 1.3107 1.6363 1.6363 1.6363 1.6363 1.7284 1.7284 1.7284 1.7284 2.5921 2.5921 2.5921 2.5921 2.7976 2.7976 2.7976 2.7976 3.0639 3.0639 3.0639 3.0639 4.0502 4.0502 4.0502 4.0502 4.5061 4.5061 4.5061 4.5061 4.6766 4.6766 4.6766 4.6766 6.7381 6.7381 6.7381 6.7381 6.9078 6.9078 6.9078 6.9078 7.0944 7.0944 7.0944 7.0944 8.8218 8.8218 8.8218 8.8218 9.0511 9.0511 k = 0.4000 0.4619 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9211 -6.9211 -6.9211 -6.9211 -6.7206 -6.7206 -6.7206 -6.7206 -6.6575 -6.6575 -6.6575 -6.6575 1.3294 1.3294 1.3294 1.3294 1.6288 1.6288 1.6288 1.6288 1.7063 1.7063 1.7063 1.7063 2.6013 2.6013 2.6013 2.6013 2.7975 2.7975 2.7975 2.7975 3.0633 3.0633 3.0633 3.0633 4.0533 4.0533 4.0533 4.0533 4.5109 4.5109 4.5109 4.5109 4.6804 4.6804 4.6804 4.6804 6.7478 6.7478 6.7478 6.7478 6.8979 6.8979 6.8979 6.8979 7.0906 7.0906 7.0906 7.0906 8.8318 8.8318 8.8318 8.8318 9.0386 9.0386 k = 0.3889 0.4811 0.5556 ( 10526 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9181 -6.9181 -6.9181 -6.9181 -6.7173 -6.7173 -6.7173 -6.7173 -6.6640 -6.6640 -6.6640 -6.6640 1.3491 1.3491 1.3491 1.3491 1.6207 1.6207 1.6207 1.6207 1.6847 1.6847 1.6847 1.6847 2.6095 2.6095 2.6095 2.6095 2.7978 2.7978 2.7978 2.7978 3.0628 3.0628 3.0628 3.0628 4.0562 4.0562 4.0562 4.0562 4.5153 4.5153 4.5153 4.5153 4.6845 4.6845 4.6845 4.6845 6.7579 6.7579 6.7579 6.7579 6.8877 6.8877 6.8877 6.8877 7.0869 7.0869 7.0869 7.0869 8.8431 8.8431 8.8431 8.8431 9.0245 9.0245 k = 0.3778 0.5004 0.5556 ( 10520 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9153 -6.9153 -6.9153 -6.9153 -6.7138 -6.7138 -6.7138 -6.7138 -6.6707 -6.6707 -6.6707 -6.6707 1.3690 1.3690 1.3690 1.3690 1.6122 1.6122 1.6122 1.6122 1.6646 1.6646 1.6646 1.6646 2.6163 2.6163 2.6163 2.6163 2.7984 2.7984 2.7984 2.7984 3.0623 3.0623 3.0623 3.0623 4.0586 4.0586 4.0586 4.0586 4.5191 4.5191 4.5191 4.5191 4.6885 4.6885 4.6885 4.6885 6.7679 6.7679 6.7679 6.7679 6.8776 6.8776 6.8776 6.8776 7.0834 7.0834 7.0834 7.0834 8.8557 8.8557 8.8557 8.8557 9.0091 9.0091 k = 0.3667 0.5196 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9127 -6.9127 -6.9127 -6.9127 -6.7101 -6.7101 -6.7101 -6.7101 -6.6773 -6.6773 -6.6773 -6.6773 1.3878 1.3878 1.3878 1.3878 1.6041 1.6041 1.6041 1.6041 1.6466 1.6466 1.6466 1.6466 2.6216 2.6216 2.6216 2.6216 2.7993 2.7993 2.7993 2.7993 3.0620 3.0620 3.0620 3.0620 4.0606 4.0606 4.0606 4.0606 4.5222 4.5222 4.5222 4.5222 4.6920 4.6920 4.6920 4.6920 6.7771 6.7771 6.7771 6.7771 6.8684 6.8684 6.8684 6.8684 7.0803 7.0803 7.0803 7.0803 8.8693 8.8693 8.8693 8.8693 8.9925 8.9925 k = 0.3556 0.5389 0.5556 ( 10532 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9106 -6.9106 -6.9106 -6.9106 -6.7063 -6.7063 -6.7063 -6.7063 -6.6833 -6.6833 -6.6833 -6.6833 1.4039 1.4039 1.4039 1.4039 1.5980 1.5980 1.5980 1.5980 1.6313 1.6313 1.6313 1.6313 2.6253 2.6253 2.6253 2.6253 2.8002 2.8002 2.8002 2.8002 3.0619 3.0619 3.0619 3.0619 4.0621 4.0621 4.0621 4.0621 4.5245 4.5245 4.5245 4.5245 4.6949 4.6949 4.6949 4.6949 6.7847 6.7847 6.7847 6.7847 6.8609 6.8609 6.8609 6.8609 7.0778 7.0778 7.0778 7.0778 8.8835 8.8835 8.8835 8.8835 8.9758 8.9758 k = 0.3444 0.5581 0.5556 ( 10520 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9092 -6.9092 -6.9092 -6.9092 -6.7030 -6.7030 -6.7030 -6.7030 -6.6882 -6.6882 -6.6882 -6.6882 1.4149 1.4149 1.4149 1.4149 1.5961 1.5961 1.5961 1.5961 1.6189 1.6189 1.6189 1.6189 2.6276 2.6276 2.6276 2.6276 2.8008 2.8008 2.8008 2.8008 3.0617 3.0617 3.0617 3.0617 4.0630 4.0630 4.0630 4.0630 4.5260 4.5260 4.5260 4.5260 4.6968 4.6968 4.6968 4.6968 6.7897 6.7897 6.7897 6.7897 6.8561 6.8561 6.8561 6.8561 7.0761 7.0761 7.0761 7.0761 8.8965 8.8965 8.8965 8.8965 8.9609 8.9609 k = 0.3333 0.5774 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9087 -6.9087 -6.9087 -6.9087 -6.7014 -6.7014 -6.7014 -6.7014 -6.6904 -6.6904 -6.6904 -6.6904 1.4188 1.4188 1.4188 1.4188 1.5978 1.5978 1.5978 1.5978 1.6122 1.6122 1.6122 1.6122 2.6283 2.6283 2.6283 2.6283 2.8011 2.8011 2.8011 2.8011 3.0617 3.0617 3.0617 3.0617 4.0633 4.0633 4.0633 4.0633 4.5265 4.5265 4.5265 4.5265 4.6974 4.6974 4.6974 4.6974 6.7913 6.7913 6.7913 6.7913 6.8545 6.8545 6.8545 6.8545 7.0755 7.0755 7.0755 7.0755 8.9029 8.9029 8.9029 8.9029 8.9538 8.9538 k = 0.3333 0.5774 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9087 -6.9087 -6.9087 -6.9087 -6.7014 -6.7014 -6.7014 -6.7014 -6.6904 -6.6904 -6.6904 -6.6904 1.4188 1.4188 1.4188 1.4188 1.5978 1.5978 1.5978 1.5978 1.6122 1.6122 1.6122 1.6122 2.6283 2.6283 2.6283 2.6283 2.8011 2.8011 2.8011 2.8011 3.0617 3.0617 3.0617 3.0617 4.0633 4.0633 4.0633 4.0633 4.5265 4.5265 4.5265 4.5265 4.6974 4.6974 4.6974 4.6974 6.7913 6.7913 6.7913 6.7913 6.8545 6.8545 6.8545 6.8545 7.0755 7.0755 7.0755 7.0755 8.9029 8.9029 8.9029 8.9029 8.9538 8.9538 k = 0.3222 0.5581 0.5556 ( 10514 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9093 -6.9093 -6.9093 -6.9093 -6.7027 -6.7027 -6.7027 -6.7027 -6.6884 -6.6884 -6.6884 -6.6884 1.4152 1.4152 1.4152 1.4152 1.5931 1.5931 1.5931 1.5931 1.6215 1.6215 1.6215 1.6215 2.6276 2.6276 2.6276 2.6276 2.8008 2.8008 2.8008 2.8008 3.0617 3.0617 3.0617 3.0617 4.0630 4.0630 4.0630 4.0630 4.5259 4.5259 4.5259 4.5259 4.6968 4.6968 4.6968 4.6968 6.7900 6.7900 6.7900 6.7900 6.8557 6.8557 6.8557 6.8557 7.0762 7.0762 7.0762 7.0762 8.8963 8.8963 8.8963 8.8963 8.9613 8.9613 k = 0.3111 0.5389 0.5556 ( 10524 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9111 -6.9111 -6.9111 -6.9111 -6.7047 -6.7047 -6.7047 -6.7047 -6.6844 -6.6844 -6.6844 -6.6844 1.4061 1.4061 1.4061 1.4061 1.5855 1.5855 1.5855 1.5855 1.6420 1.6420 1.6420 1.6420 2.6253 2.6253 2.6253 2.6253 2.7997 2.7997 2.7997 2.7997 3.0617 3.0617 3.0617 3.0617 4.0621 4.0621 4.0621 4.0621 4.5240 4.5240 4.5240 4.5240 4.6949 4.6949 4.6949 4.6949 6.7871 6.7871 6.7871 6.7871 6.8582 6.8582 6.8582 6.8582 7.0783 7.0783 7.0783 7.0783 8.8825 8.8825 8.8825 8.8825 8.9783 8.9783 k = 0.3000 0.5196 0.5556 ( 10528 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9144 -6.9144 -6.9144 -6.9144 -6.7059 -6.7059 -6.7059 -6.7059 -6.6797 -6.6797 -6.6797 -6.6797 1.3936 1.3936 1.3936 1.3936 1.5781 1.5781 1.5781 1.5781 1.6682 1.6682 1.6682 1.6682 2.6215 2.6215 2.6215 2.6215 2.7979 2.7979 2.7979 2.7979 3.0617 3.0617 3.0617 3.0617 4.0605 4.0605 4.0605 4.0605 4.5205 4.5205 4.5205 4.5205 4.6921 4.6921 4.6921 4.6921 6.7838 6.7838 6.7838 6.7838 6.8608 6.8608 6.8608 6.8608 7.0818 7.0818 7.0818 7.0818 8.8676 8.8676 8.8676 8.8676 8.9992 8.9992 k = 0.2889 0.5004 0.5556 ( 10514 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9191 -6.9191 -6.9191 -6.9191 -6.7058 -6.7058 -6.7058 -6.7058 -6.6746 -6.6746 -6.6746 -6.6746 1.3795 1.3795 1.3795 1.3795 1.5715 1.5715 1.5715 1.5715 1.6978 1.6978 1.6978 1.6978 2.6159 2.6159 2.6159 2.6159 2.7953 2.7953 2.7953 2.7953 3.0615 3.0615 3.0615 3.0615 4.0582 4.0582 4.0582 4.0582 4.5150 4.5150 4.5150 4.5150 4.6888 4.6888 4.6888 4.6888 6.7808 6.7808 6.7808 6.7808 6.8626 6.8626 6.8626 6.8626 7.0867 7.0867 7.0867 7.0867 8.8542 8.8542 8.8542 8.8542 9.0222 9.0222 k = 0.2778 0.4811 0.5556 ( 10514 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9253 -6.9253 -6.9253 -6.9253 -6.7044 -6.7044 -6.7044 -6.7044 -6.6694 -6.6694 -6.6694 -6.6694 1.3650 1.3650 1.3650 1.3650 1.5657 1.5657 1.5657 1.5657 1.7297 1.7297 1.7297 1.7297 2.6084 2.6084 2.6084 2.6084 2.7922 2.7922 2.7922 2.7922 3.0610 3.0610 3.0610 3.0610 4.0551 4.0551 4.0551 4.0551 4.5072 4.5072 4.5072 4.5072 4.6857 4.6857 4.6857 4.6857 6.7787 6.7787 6.7787 6.7787 6.8634 6.8634 6.8634 6.8634 7.0926 7.0926 7.0926 7.0926 8.8434 8.8434 8.8434 8.8434 9.0466 9.0466 k = 0.2667 0.4619 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9327 -6.9327 -6.9327 -6.9327 -6.7017 -6.7017 -6.7017 -6.7017 -6.6640 -6.6640 -6.6640 -6.6640 1.3510 1.3510 1.3510 1.3510 1.5608 1.5608 1.5608 1.5608 1.7629 1.7629 1.7629 1.7629 2.5987 2.5987 2.5987 2.5987 2.7887 2.7887 2.7887 2.7887 3.0602 3.0602 3.0602 3.0602 4.0511 4.0511 4.0511 4.0511 4.4968 4.4968 4.4968 4.4968 4.6834 4.6834 4.6834 4.6834 6.7773 6.7773 6.7773 6.7773 6.8633 6.8633 6.8633 6.8633 7.0992 7.0992 7.0992 7.0992 8.8362 8.8362 8.8362 8.8362 9.0720 9.0720 k = 0.2556 0.4426 0.5556 ( 10508 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9412 -6.9412 -6.9412 -6.9412 -6.6979 -6.6979 -6.6979 -6.6979 -6.6586 -6.6586 -6.6586 -6.6586 1.3379 1.3379 1.3379 1.3379 1.5568 1.5568 1.5568 1.5568 1.7970 1.7970 1.7970 1.7970 2.5865 2.5865 2.5865 2.5865 2.7852 2.7852 2.7852 2.7852 3.0588 3.0588 3.0588 3.0588 4.0458 4.0458 4.0458 4.0458 4.4842 4.4842 4.4842 4.4842 4.6823 4.6823 4.6823 4.6823 6.7766 6.7766 6.7766 6.7766 6.8627 6.8627 6.8627 6.8627 7.1059 7.1059 7.1059 7.1059 8.8331 8.8331 8.8331 8.8331 9.0981 9.0981 k = 0.2444 0.4234 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9506 -6.9506 -6.9506 -6.9506 -6.6931 -6.6931 -6.6931 -6.6931 -6.6531 -6.6531 -6.6531 -6.6531 1.3262 1.3262 1.3262 1.3262 1.5538 1.5538 1.5538 1.5538 1.8315 1.8315 1.8315 1.8315 2.5717 2.5717 2.5717 2.5717 2.7818 2.7818 2.7818 2.7818 3.0569 3.0569 3.0569 3.0569 4.0390 4.0390 4.0390 4.0390 4.4696 4.4696 4.4696 4.4696 4.6828 4.6828 4.6828 4.6828 6.7760 6.7760 6.7760 6.7760 6.8620 6.8620 6.8620 6.8620 7.1122 7.1122 7.1122 7.1122 8.8347 8.8347 8.8347 8.8347 9.1248 9.1248 k = 0.2333 0.4041 0.5556 ( 10510 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9607 -6.9607 -6.9607 -6.9607 -6.6874 -6.6874 -6.6874 -6.6874 -6.6476 -6.6476 -6.6476 -6.6476 1.3160 1.3160 1.3160 1.3160 1.5518 1.5518 1.5518 1.5518 1.8661 1.8661 1.8661 1.8661 2.5540 2.5540 2.5540 2.5540 2.7788 2.7788 2.7788 2.7788 3.0542 3.0542 3.0542 3.0542 4.0300 4.0300 4.0300 4.0300 4.4540 4.4540 4.4540 4.4540 4.6850 4.6850 4.6850 4.6850 6.7753 6.7753 6.7753 6.7753 6.8619 6.8619 6.8619 6.8619 7.1177 7.1177 7.1177 7.1177 8.8414 8.8414 8.8414 8.8414 9.1518 9.1518 k = 0.2222 0.3849 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9714 -6.9714 -6.9714 -6.9714 -6.6811 -6.6811 -6.6811 -6.6811 -6.6421 -6.6421 -6.6421 -6.6421 1.3076 1.3076 1.3076 1.3076 1.5507 1.5507 1.5507 1.5507 1.9006 1.9006 1.9006 1.9006 2.5334 2.5334 2.5334 2.5334 2.7764 2.7764 2.7764 2.7764 3.0507 3.0507 3.0507 3.0507 4.0184 4.0184 4.0184 4.0184 4.4386 4.4386 4.4386 4.4386 4.6889 4.6889 4.6889 4.6889 6.7739 6.7739 6.7739 6.7739 6.8628 6.8628 6.8628 6.8628 7.1221 7.1221 7.1221 7.1221 8.8534 8.8534 8.8534 8.8534 9.1791 9.1791 k = 0.2111 0.3657 0.5556 ( 10526 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9824 -6.9824 -6.9824 -6.9824 -6.6744 -6.6744 -6.6744 -6.6744 -6.6367 -6.6367 -6.6367 -6.6367 1.3011 1.3011 1.3011 1.3011 1.5507 1.5507 1.5507 1.5507 1.9346 1.9346 1.9346 1.9346 2.5100 2.5100 2.5100 2.5100 2.7747 2.7747 2.7747 2.7747 3.0462 3.0462 3.0462 3.0462 4.0034 4.0034 4.0034 4.0034 4.4245 4.4245 4.4245 4.4245 4.6943 4.6943 4.6943 4.6943 6.7713 6.7713 6.7713 6.7713 6.8652 6.8652 6.8652 6.8652 7.1249 7.1249 7.1249 7.1249 8.8707 8.8707 8.8707 8.8707 9.2065 9.2065 k = 0.2000 0.3464 0.5556 ( 10522 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9935 -6.9935 -6.9935 -6.9935 -6.6673 -6.6673 -6.6673 -6.6673 -6.6314 -6.6314 -6.6314 -6.6314 1.2966 1.2966 1.2966 1.2966 1.5516 1.5516 1.5516 1.5516 1.9680 1.9680 1.9680 1.9680 2.4840 2.4840 2.4840 2.4840 2.7736 2.7736 2.7736 2.7736 3.0407 3.0407 3.0407 3.0407 3.9845 3.9845 3.9845 3.9845 4.4129 4.4129 4.4129 4.4129 4.7011 4.7011 4.7011 4.7011 6.7677 6.7677 6.7677 6.7677 6.8690 6.8690 6.8690 6.8690 7.1261 7.1261 7.1261 7.1261 8.8933 8.8933 8.8933 8.8933 9.2338 9.2338 k = 0.1889 0.3272 0.5556 ( 10526 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0047 -7.0047 -7.0047 -7.0047 -6.6600 -6.6600 -6.6600 -6.6600 -6.6262 -6.6262 -6.6262 -6.6262 1.2942 1.2942 1.2942 1.2942 1.5534 1.5534 1.5534 1.5534 2.0005 2.0005 2.0005 2.0005 2.4556 2.4556 2.4556 2.4556 2.7731 2.7731 2.7731 2.7731 3.0342 3.0342 3.0342 3.0342 3.9616 3.9616 3.9616 3.9616 4.4047 4.4047 4.4047 4.4047 4.7092 4.7092 4.7092 4.7092 6.7629 6.7629 6.7629 6.7629 6.8742 6.8742 6.8742 6.8742 7.1254 7.1254 7.1254 7.1254 8.9210 8.9210 8.9210 8.9210 9.2610 9.2610 k = 0.1778 0.3079 0.5556 ( 10534 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0158 -7.0158 -7.0158 -7.0158 -6.6526 -6.6526 -6.6526 -6.6526 -6.6211 -6.6211 -6.6211 -6.6211 1.2940 1.2940 1.2940 1.2940 1.5561 1.5561 1.5561 1.5561 2.0320 2.0320 2.0320 2.0320 2.4252 2.4252 2.4252 2.4252 2.7733 2.7733 2.7733 2.7733 3.0266 3.0266 3.0266 3.0266 3.9345 3.9345 3.9345 3.9345 4.4003 4.4003 4.4003 4.4003 4.7183 4.7183 4.7183 4.7183 6.7573 6.7573 6.7573 6.7573 6.8805 6.8805 6.8805 6.8805 7.1230 7.1230 7.1230 7.1230 8.9536 8.9536 8.9536 8.9536 9.2879 9.2879 k = 0.1667 0.2887 0.5556 ( 10552 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0267 -7.0267 -7.0267 -7.0267 -6.6452 -6.6452 -6.6452 -6.6452 -6.6161 -6.6161 -6.6161 -6.6161 1.2959 1.2959 1.2959 1.2959 1.5595 1.5595 1.5595 1.5595 2.0623 2.0623 2.0623 2.0623 2.3932 2.3932 2.3932 2.3932 2.7740 2.7740 2.7740 2.7740 3.0180 3.0180 3.0180 3.0180 3.9038 3.9038 3.9038 3.9038 4.3996 4.3996 4.3996 4.3996 4.7285 4.7285 4.7285 4.7285 6.7511 6.7511 6.7511 6.7511 6.8874 6.8874 6.8874 6.8874 7.1188 7.1188 7.1188 7.1188 8.9905 8.9905 8.9905 8.9905 9.3144 9.3144 k = 0.1556 0.2694 0.5556 ( 10548 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0373 -7.0373 -7.0373 -7.0373 -6.6380 -6.6380 -6.6380 -6.6380 -6.6113 -6.6113 -6.6113 -6.6113 1.3001 1.3001 1.3001 1.3001 1.5636 1.5636 1.5636 1.5636 2.0908 2.0908 2.0908 2.0908 2.3604 2.3604 2.3604 2.3604 2.7752 2.7752 2.7752 2.7752 3.0084 3.0084 3.0084 3.0084 3.8701 3.8701 3.8701 3.8701 4.4024 4.4024 4.4024 4.4024 4.7395 4.7395 4.7395 4.7395 6.7446 6.7446 6.7446 6.7446 6.8946 6.8946 6.8946 6.8946 7.1129 7.1129 7.1129 7.1129 9.0314 9.0314 9.0314 9.0314 9.3404 9.3404 k = 0.1444 0.2502 0.5556 ( 10548 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0475 -7.0475 -7.0475 -7.0475 -6.6310 -6.6310 -6.6310 -6.6310 -6.6067 -6.6067 -6.6067 -6.6067 1.3064 1.3064 1.3064 1.3064 1.5681 1.5681 1.5681 1.5681 2.1170 2.1170 2.1170 2.1170 2.3275 2.3275 2.3275 2.3275 2.7767 2.7767 2.7767 2.7767 2.9979 2.9979 2.9979 2.9979 3.8343 3.8343 3.8343 3.8343 4.4082 4.4082 4.4082 4.4082 4.7512 4.7512 4.7512 4.7512 6.7381 6.7381 6.7381 6.7381 6.9019 6.9019 6.9019 6.9019 7.1057 7.1057 7.1057 7.1057 9.0755 9.0755 9.0755 9.0755 9.3657 9.3657 k = 0.1333 0.2309 0.5556 ( 10548 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0572 -7.0572 -7.0572 -7.0572 -6.6243 -6.6243 -6.6243 -6.6243 -6.6023 -6.6023 -6.6023 -6.6023 1.3148 1.3148 1.3148 1.3148 1.5729 1.5729 1.5729 1.5729 2.1395 2.1395 2.1395 2.1395 2.2964 2.2964 2.2964 2.2964 2.7787 2.7787 2.7787 2.7787 2.9867 2.9867 2.9867 2.9867 3.7972 3.7972 3.7972 3.7972 4.4162 4.4162 4.4162 4.4162 4.7635 4.7635 4.7635 4.7635 6.7317 6.7317 6.7317 6.7317 6.9089 6.9089 6.9089 6.9089 7.0973 7.0973 7.0973 7.0973 9.1223 9.1223 9.1223 9.1223 9.3903 9.3903 k = 0.1222 0.2117 0.5556 ( 10534 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0663 -7.0663 -7.0663 -7.0663 -6.6179 -6.6179 -6.6179 -6.6179 -6.5981 -6.5981 -6.5981 -6.5981 1.3253 1.3253 1.3253 1.3253 1.5777 1.5777 1.5777 1.5777 2.1547 2.1547 2.1547 2.1547 2.2707 2.2707 2.2707 2.2707 2.7810 2.7810 2.7810 2.7810 2.9747 2.9747 2.9747 2.9747 3.7597 3.7597 3.7597 3.7597 4.4257 4.4257 4.4257 4.4257 4.7763 4.7763 4.7763 4.7763 6.7255 6.7255 6.7255 6.7255 6.9155 6.9155 6.9155 6.9155 7.0880 7.0880 7.0880 7.0880 9.1710 9.1710 9.1710 9.1710 9.4139 9.4139 k = 0.1111 0.1925 0.5556 ( 10534 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0748 -7.0748 -7.0748 -7.0748 -6.6120 -6.6120 -6.6120 -6.6120 -6.5941 -6.5941 -6.5941 -6.5941 1.3379 1.3379 1.3379 1.3379 1.5823 1.5823 1.5823 1.5823 2.1559 2.1559 2.1559 2.1559 2.2578 2.2578 2.2578 2.2578 2.7836 2.7836 2.7836 2.7836 2.9623 2.9623 2.9623 2.9623 3.7226 3.7226 3.7226 3.7226 4.4363 4.4363 4.4363 4.4363 4.7894 4.7894 4.7894 4.7894 6.7197 6.7197 6.7197 6.7197 6.9214 6.9214 6.9214 6.9214 7.0782 7.0782 7.0782 7.0782 9.2207 9.2207 9.2207 9.2207 9.4364 9.4364 k = 0.1000 0.1732 0.5556 ( 10534 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0827 -7.0827 -7.0827 -7.0827 -6.6065 -6.6065 -6.6065 -6.6065 -6.5904 -6.5904 -6.5904 -6.5904 1.3523 1.3523 1.3523 1.3523 1.5863 1.5863 1.5863 1.5863 2.1398 2.1398 2.1398 2.1398 2.2612 2.2612 2.2612 2.2612 2.7865 2.7865 2.7865 2.7865 2.9495 2.9495 2.9495 2.9495 3.6868 3.6868 3.6868 3.6868 4.4473 4.4473 4.4473 4.4473 4.8026 4.8026 4.8026 4.8026 6.7143 6.7143 6.7143 6.7143 6.9265 6.9265 6.9265 6.9265 7.0682 7.0682 7.0682 7.0682 9.2704 9.2704 9.2704 9.2704 9.4577 9.4577 k = 0.0889 0.1540 0.5556 ( 10540 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0899 -7.0899 -7.0899 -7.0899 -6.6016 -6.6016 -6.6016 -6.6016 -6.5869 -6.5869 -6.5869 -6.5869 1.3685 1.3685 1.3685 1.3685 1.5894 1.5894 1.5894 1.5894 2.1140 2.1140 2.1140 2.1140 2.2738 2.2738 2.2738 2.2738 2.7898 2.7898 2.7898 2.7898 2.9364 2.9364 2.9364 2.9364 3.6527 3.6527 3.6527 3.6527 4.4582 4.4582 4.4582 4.4582 4.8156 4.8156 4.8156 4.8156 6.7094 6.7094 6.7094 6.7094 6.9307 6.9307 6.9307 6.9307 7.0585 7.0585 7.0585 7.0585 9.3193 9.3193 9.3193 9.3193 9.4775 9.4775 k = 0.0778 0.1347 0.5556 ( 10532 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.0963 -7.0963 -7.0963 -7.0963 -6.5973 -6.5973 -6.5973 -6.5973 -6.5837 -6.5837 -6.5837 -6.5837 1.3862 1.3862 1.3862 1.3862 1.5911 1.5911 1.5911 1.5911 2.0854 2.0854 2.0854 2.0854 2.2890 2.2890 2.2890 2.2890 2.7935 2.7935 2.7935 2.7935 2.9233 2.9233 2.9233 2.9233 3.6211 3.6211 3.6211 3.6211 4.4686 4.4686 4.4686 4.4686 4.8282 4.8282 4.8282 4.8282 6.7051 6.7051 6.7051 6.7051 6.9339 6.9339 6.9339 6.9339 7.0494 7.0494 7.0494 7.0494 9.3661 9.3661 9.3661 9.3661 9.4959 9.4959 k = 0.0667 0.1155 0.5556 ( 10540 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1020 -7.1020 -7.1020 -7.1020 -6.5936 -6.5936 -6.5936 -6.5936 -6.5808 -6.5808 -6.5808 -6.5808 1.4053 1.4053 1.4053 1.4053 1.5911 1.5911 1.5911 1.5911 2.0573 2.0573 2.0573 2.0573 2.3042 2.3042 2.3042 2.3042 2.7977 2.7977 2.7977 2.7977 2.9103 2.9103 2.9103 2.9103 3.5926 3.5926 3.5926 3.5926 4.4781 4.4781 4.4781 4.4781 4.8400 4.8400 4.8400 4.8400 6.7014 6.7014 6.7014 6.7014 6.9360 6.9360 6.9360 6.9360 7.0412 7.0412 7.0412 7.0412 9.4096 9.4096 9.4096 9.4096 9.5128 9.5128 k = 0.0556 0.0962 0.5556 ( 10536 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1068 -7.1068 -7.1068 -7.1068 -6.5905 -6.5905 -6.5905 -6.5905 -6.5783 -6.5783 -6.5783 -6.5783 1.4253 1.4253 1.4253 1.4253 1.5888 1.5888 1.5888 1.5888 2.0314 2.0314 2.0314 2.0314 2.3181 2.3181 2.3181 2.3181 2.8023 2.8023 2.8023 2.8023 2.8977 2.8977 2.8977 2.8977 3.5675 3.5675 3.5675 3.5675 4.4866 4.4866 4.4866 4.4866 4.8507 4.8507 4.8507 4.8507 6.6982 6.6982 6.6982 6.6982 6.9371 6.9371 6.9371 6.9371 7.0344 7.0344 7.0344 7.0344 9.4485 9.4485 9.4485 9.4485 9.5281 9.5281 k = 0.0444 0.0770 0.5556 ( 10546 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1108 -7.1108 -7.1108 -7.1108 -6.5880 -6.5880 -6.5880 -6.5880 -6.5761 -6.5761 -6.5761 -6.5761 1.4460 1.4460 1.4460 1.4460 1.5839 1.5839 1.5839 1.5839 2.0089 2.0089 2.0089 2.0089 2.3301 2.3301 2.3301 2.3301 2.8075 2.8075 2.8075 2.8075 2.8855 2.8855 2.8855 2.8855 3.5464 3.5464 3.5464 3.5464 4.4937 4.4937 4.4937 4.4937 4.8600 4.8600 4.8600 4.8600 6.6956 6.6956 6.6956 6.6956 6.9373 6.9373 6.9373 6.9373 7.0289 7.0289 7.0289 7.0289 9.4811 9.4811 9.4811 9.4811 9.5421 9.5421 k = 0.0333 0.0577 0.5556 ( 10542 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1139 -7.1139 -7.1139 -7.1139 -6.5861 -6.5861 -6.5861 -6.5861 -6.5743 -6.5743 -6.5743 -6.5743 1.4666 1.4666 1.4666 1.4666 1.5763 1.5763 1.5763 1.5763 1.9905 1.9905 1.9905 1.9905 2.3398 2.3398 2.3398 2.3398 2.8131 2.8131 2.8131 2.8131 2.8741 2.8741 2.8741 2.8741 3.5296 3.5296 3.5296 3.5296 4.4994 4.4994 4.4994 4.4994 4.8676 4.8676 4.8676 4.8676 6.6937 6.6937 6.6937 6.6937 6.9370 6.9370 6.9370 6.9370 7.0248 7.0248 7.0248 7.0248 9.5061 9.5061 9.5061 9.5061 9.5551 9.5551 k = 0.0222 0.0385 0.5556 ( 10550 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1161 -7.1161 -7.1161 -7.1161 -6.5847 -6.5847 -6.5847 -6.5847 -6.5730 -6.5730 -6.5730 -6.5730 1.4864 1.4864 1.4864 1.4864 1.5663 1.5663 1.5663 1.5663 1.9769 1.9769 1.9769 1.9769 2.3469 2.3469 2.3469 2.3469 2.8191 2.8191 2.8191 2.8191 2.8639 2.8639 2.8639 2.8639 3.5173 3.5173 3.5173 3.5173 4.5035 4.5035 4.5035 4.5035 4.8732 4.8732 4.8732 4.8732 6.6923 6.6923 6.6923 6.6923 6.9364 6.9364 6.9364 6.9364 7.0221 7.0221 7.0221 7.0221 9.5226 9.5226 9.5226 9.5226 9.5665 9.5665 k = 0.0111 0.0192 0.5556 ( 10566 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1175 -7.1175 -7.1175 -7.1175 -6.5839 -6.5839 -6.5839 -6.5839 -6.5722 -6.5722 -6.5722 -6.5722 1.5035 1.5035 1.5035 1.5035 1.5552 1.5552 1.5552 1.5552 1.9686 1.9686 1.9686 1.9686 2.3513 2.3513 2.3513 2.3513 2.8246 2.8246 2.8246 2.8246 2.8557 2.8557 2.8557 2.8557 3.5099 3.5099 3.5099 3.5099 4.5060 4.5060 4.5060 4.5060 4.8767 4.8767 4.8767 4.8767 6.6914 6.6914 6.6914 6.6914 6.9358 6.9358 6.9358 6.9358 7.0205 7.0205 7.0205 7.0205 9.5317 9.5317 9.5317 9.5317 9.5747 9.5747 k = 0.0000 0.0000 0.5556 ( 10550 PWs) bands (ev): -48.9583 -48.9583 -48.9583 -48.9583 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -7.1179 -7.1179 -7.1179 -7.1179 -6.5836 -6.5836 -6.5836 -6.5836 -6.5720 -6.5720 -6.5720 -6.5720 1.5117 1.5117 1.5117 1.5117 1.5490 1.5490 1.5490 1.5490 1.9658 1.9658 1.9658 1.9658 2.3527 2.3527 2.3527 2.3527 2.8273 2.8273 2.8273 2.8273 2.8522 2.8522 2.8522 2.8522 3.5074 3.5074 3.5074 3.5074 4.5069 4.5069 4.5069 4.5069 4.8779 4.8779 4.8779 4.8779 6.6912 6.6912 6.6912 6.6912 6.9356 6.9356 6.9356 6.9356 7.0200 7.0200 7.0200 7.0200 9.5345 9.5345 9.5345 9.5345 9.5776 9.5776 k = 0.5000 0.2887 0.5556 ( 10516 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9376 -6.9376 -6.9376 -6.9376 -6.7353 -6.7353 -6.7353 -6.7353 -6.6241 -6.6241 -6.6241 -6.6241 1.2328 1.2328 1.2328 1.2328 1.6662 1.6662 1.6662 1.6662 1.8402 1.8402 1.8402 1.8402 2.5326 2.5326 2.5326 2.5326 2.8028 2.8028 2.8028 2.8028 3.0680 3.0680 3.0680 3.0680 4.0317 4.0317 4.0317 4.0317 4.4774 4.4774 4.4774 4.4774 4.6622 4.6622 4.6622 4.6622 6.6966 6.6966 6.6966 6.6966 6.9499 6.9499 6.9499 6.9499 7.1124 7.1124 7.1124 7.1124 8.7866 8.7866 8.7866 8.7866 9.0959 9.0959 k = 0.5000 0.2887 0.5334 ( 10526 PWs) bands (ev): -48.9592 -48.9592 -48.9572 -48.9572 -26.5605 -26.5605 -26.5559 -26.5559 -24.4897 -24.4897 -24.4858 -24.4858 -24.4570 -24.4570 -24.4408 -24.4408 -6.9675 -6.9675 -6.9075 -6.9075 -6.7423 -6.7423 -6.7283 -6.7283 -6.6244 -6.6244 -6.6238 -6.6238 1.2079 1.2079 1.2578 1.2578 1.6544 1.6544 1.6783 1.6783 1.8228 1.8228 1.8576 1.8576 2.5168 2.5168 2.5481 2.5481 2.7806 2.7806 2.8221 2.8221 3.0423 3.0423 3.1028 3.1028 3.9913 3.9913 4.0678 4.0678 4.4537 4.4537 4.4843 4.4843 4.6656 4.6656 4.6700 4.6700 6.6812 6.6812 6.7088 6.7088 6.9121 6.9121 6.9765 6.9765 7.0546 7.0546 7.1883 7.1883 8.7537 8.7537 8.8242 8.8242 9.0639 9.0639 k = 0.5000 0.2887 0.5112 ( 10514 PWs) bands (ev): -48.9602 -48.9602 -48.9562 -48.9562 -26.5628 -26.5628 -26.5537 -26.5537 -24.4916 -24.4916 -24.4839 -24.4839 -24.4650 -24.4650 -24.4327 -24.4327 -6.9970 -6.9970 -6.8772 -6.8772 -6.7493 -6.7493 -6.7213 -6.7213 -6.6248 -6.6248 -6.6236 -6.6236 1.1835 1.1835 1.2829 1.2829 1.6436 1.6436 1.6900 1.6900 1.8052 1.8052 1.8754 1.8754 2.5015 2.5015 2.5619 2.5619 2.7584 2.7584 2.8352 2.8352 3.0287 3.0287 3.1442 3.1442 3.9468 3.9468 4.0989 4.0989 4.4164 4.4164 4.4768 4.4768 4.6781 4.6781 4.6858 4.6858 6.6596 6.6596 6.7194 6.7194 6.8630 6.8630 6.9895 6.9895 7.0264 7.0264 7.2739 7.2739 8.7258 8.7258 8.8658 8.8658 9.0340 9.0340 k = 0.5000 0.2887 0.4890 ( 10516 PWs) bands (ev): -48.9611 -48.9611 -48.9552 -48.9552 -26.5652 -26.5652 -26.5515 -26.5515 -24.4935 -24.4935 -24.4820 -24.4820 -24.4729 -24.4729 -24.4245 -24.4245 -7.0260 -7.0260 -6.8470 -6.8470 -6.7564 -6.7564 -6.7144 -6.7144 -6.6253 -6.6253 -6.6234 -6.6234 1.1595 1.1595 1.3075 1.3075 1.6339 1.6339 1.7003 1.7003 1.7880 1.7880 1.8943 1.8943 2.4872 2.4872 2.5719 2.5719 2.7391 2.7391 2.8404 2.8404 3.0292 3.0292 3.1904 3.1904 3.8986 3.8986 4.1242 4.1242 4.3699 4.3699 4.4613 4.4613 4.6940 4.6940 4.7056 4.7056 6.6268 6.6268 6.7291 6.7291 6.8133 6.8133 6.9797 6.9797 7.0349 7.0349 7.3647 7.3647 8.7031 8.7031 8.9091 8.9091 9.0078 9.0078 k = 0.5000 0.2887 0.4667 ( 10524 PWs) bands (ev): -48.9621 -48.9621 -48.9543 -48.9543 -26.5675 -26.5675 -26.5493 -26.5493 -24.4954 -24.4954 -24.4806 -24.4806 -24.4801 -24.4801 -24.4164 -24.4164 -7.0545 -7.0545 -6.8169 -6.8169 -6.7633 -6.7633 -6.7076 -6.7076 -6.6257 -6.6257 -6.6232 -6.6232 1.1359 1.1359 1.3311 1.3311 1.6256 1.6256 1.7081 1.7081 1.7722 1.7722 1.9154 1.9154 2.4741 2.4741 2.5752 2.5752 2.7254 2.7254 2.8396 2.8396 3.0423 3.0423 3.2400 3.2400 3.8469 3.8469 4.1425 4.1425 4.3177 4.3177 4.4434 4.4434 4.7085 4.7085 4.7268 4.7268 6.5782 6.5782 6.7373 6.7373 6.7756 6.7756 6.9677 6.9677 7.0538 7.0538 7.4587 7.4587 8.6858 8.6858 8.9395 8.9395 8.9996 8.9996 k = 0.5000 0.2887 0.4445 ( 10502 PWs) bands (ev): -48.9630 -48.9630 -48.9533 -48.9533 -26.5699 -26.5699 -26.5472 -26.5472 -24.4972 -24.4972 -24.4882 -24.4882 -24.4783 -24.4783 -24.4084 -24.4084 -7.0823 -7.0823 -6.7871 -6.7871 -6.7701 -6.7701 -6.7009 -6.7009 -6.6262 -6.6262 -6.6230 -6.6230 1.1129 1.1129 1.3527 1.3527 1.6188 1.6188 1.7123 1.7123 1.7595 1.7595 1.9395 1.9395 2.4625 2.4625 2.5699 2.5699 2.7184 2.7184 2.8372 2.8372 3.0638 3.0638 3.2920 3.2920 3.7918 3.7918 4.1517 4.1517 4.2626 4.2626 4.4268 4.4268 4.7193 4.7193 4.7485 4.7485 6.5153 6.5153 6.7361 6.7361 6.7603 6.7603 6.9594 6.9594 7.0739 7.0739 7.5545 7.5545 8.6739 8.6739 8.9287 8.9287 9.0371 9.0371 k = 0.5000 0.2887 0.4223 ( 10498 PWs) bands (ev): -48.9639 -48.9639 -48.9524 -48.9524 -26.5722 -26.5722 -26.5452 -26.5452 -24.4990 -24.4990 -24.4955 -24.4955 -24.4765 -24.4765 -24.4005 -24.4005 -7.1094 -7.1094 -6.7769 -6.7769 -6.7577 -6.7577 -6.6944 -6.6944 -6.6268 -6.6268 -6.6228 -6.6228 1.0903 1.0903 1.3709 1.3709 1.6141 1.6141 1.7118 1.7118 1.7521 1.7521 1.9671 1.9671 2.4524 2.4524 2.5568 2.5568 2.7166 2.7166 2.8375 2.8375 3.0902 3.0902 3.3452 3.3452 3.7337 3.7337 4.1466 4.1466 4.2108 4.2108 4.4137 4.4137 4.7252 4.7252 4.7699 4.7699 6.4437 6.4437 6.7223 6.7223 6.7668 6.7668 6.9541 6.9541 7.0939 7.0939 7.6511 7.6511 8.6674 8.6674 8.9034 8.9034 9.0932 9.0932 k = 0.5000 0.2887 0.4001 ( 10494 PWs) bands (ev): -48.9647 -48.9647 -48.9515 -48.9515 -26.5745 -26.5745 -26.5433 -26.5433 -24.5027 -24.5027 -24.5008 -24.5008 -24.4747 -24.4747 -24.3928 -24.3928 -7.1356 -7.1356 -6.7835 -6.7835 -6.7291 -6.7291 -6.6879 -6.6879 -6.6273 -6.6273 -6.6225 -6.6225 1.0683 1.0683 1.3837 1.3837 1.6122 1.6122 1.7077 1.7077 1.7505 1.7505 1.9984 1.9984 2.4438 2.4438 2.5389 2.5389 2.7166 2.7166 2.8423 2.8423 3.1188 3.1188 3.3986 3.3986 3.6728 3.6728 4.1129 4.1129 4.1778 4.1778 4.4050 4.4050 4.7262 4.7262 4.7908 4.7908 6.3680 6.3680 6.7093 6.7093 6.7778 6.7778 6.9513 6.9513 7.1134 7.1134 7.7477 7.7477 8.6663 8.6663 8.8758 8.8758 9.1555 9.1555 k = 0.5000 0.2887 0.3778 ( 10506 PWs) bands (ev): -48.9656 -48.9656 -48.9507 -48.9507 -26.5767 -26.5767 -26.5414 -26.5414 -24.5095 -24.5095 -24.5025 -24.5025 -24.4730 -24.4730 -24.3852 -24.3852 -7.1609 -7.1609 -6.7899 -6.7899 -6.7019 -6.7019 -6.6811 -6.6811 -6.6279 -6.6279 -6.6220 -6.6220 1.0468 1.0468 1.3890 1.3890 1.6147 1.6147 1.7021 1.7021 1.7538 1.7538 2.0333 2.0333 2.4367 2.4367 2.5192 2.5192 2.7163 2.7163 2.8517 2.8517 3.1482 3.1482 3.4507 3.4507 3.6100 3.6100 4.0566 4.0566 4.1597 4.1597 4.4001 4.4001 4.7226 4.7226 4.8113 4.8113 6.2906 6.2906 6.6981 6.6981 6.7902 6.7902 6.9503 6.9503 7.1321 7.1321 7.8430 7.8430 8.6703 8.6703 8.8485 8.8485 9.2218 9.2218 k = 0.5000 0.2887 0.3556 ( 10514 PWs) bands (ev): -48.9665 -48.9665 -48.9499 -48.9499 -26.5789 -26.5789 -26.5396 -26.5396 -24.5162 -24.5162 -24.5042 -24.5042 -24.4713 -24.4713 -24.3779 -24.3779 -7.1852 -7.1852 -6.7961 -6.7961 -6.6807 -6.6807 -6.6698 -6.6698 -6.6285 -6.6285 -6.6208 -6.6208 1.0259 1.0259 1.3858 1.3858 1.6226 1.6226 1.6960 1.6960 1.7620 1.7620 2.0714 2.0714 2.4306 2.4306 2.5000 2.5000 2.7153 2.7153 2.8644 2.8644 3.1772 3.1772 3.4967 3.4967 3.5489 3.5489 3.9944 3.9944 4.1434 4.1434 4.3976 4.3976 4.7152 4.7152 4.8314 4.8314 6.2129 6.2129 6.6881 6.6881 6.8034 6.8034 6.9505 6.9505 7.1498 7.1498 7.9358 7.9358 8.6790 8.6790 8.8229 8.8229 9.2913 9.2913 k = 0.5000 0.2887 0.3334 ( 10536 PWs) bands (ev): -48.9674 -48.9674 -48.9491 -48.9491 -26.5810 -26.5810 -26.5379 -26.5379 -24.5225 -24.5225 -24.5058 -24.5058 -24.4697 -24.4697 -24.3708 -24.3708 -7.2084 -7.2084 -6.8021 -6.8021 -6.6723 -6.6723 -6.6493 -6.6493 -6.6290 -6.6290 -6.6174 -6.6174 1.0056 1.0056 1.3746 1.3746 1.6359 1.6359 1.6892 1.6892 1.7758 1.7758 2.1122 2.1122 2.4245 2.4245 2.4839 2.4839 2.7140 2.7140 2.8784 2.8784 3.2046 3.2046 3.4721 3.4721 3.5528 3.5528 3.9311 3.9311 4.1275 4.1275 4.3961 4.3961 4.7050 4.7050 4.8512 4.8512 6.1356 6.1356 6.6788 6.6788 6.8172 6.8172 6.9514 6.9514 7.1664 7.1664 8.0241 8.0241 8.6917 8.6917 8.8012 8.8012 9.3631 9.3631 k = 0.5000 0.2887 0.3112 ( 10532 PWs) bands (ev): -48.9681 -48.9681 -48.9483 -48.9483 -26.5831 -26.5831 -26.5363 -26.5363 -24.5285 -24.5285 -24.5073 -24.5073 -24.4682 -24.4682 -24.3639 -24.3639 -7.2304 -7.2304 -6.8079 -6.8079 -6.6665 -6.6665 -6.6353 -6.6353 -6.6294 -6.6294 -6.6064 -6.6064 0.9859 0.9859 1.3572 1.3572 1.6522 1.6522 1.6830 1.6830 1.7951 1.7951 2.1550 2.1550 2.4169 2.4169 2.4735 2.4735 2.7128 2.7128 2.8922 2.8922 3.2291 3.2291 3.4073 3.4073 3.5896 3.5896 3.8691 3.8691 4.1137 4.1137 4.3946 4.3946 4.6935 4.6935 4.8707 4.8707 6.0589 6.0589 6.6701 6.6701 6.8312 6.8312 6.9527 6.9527 7.1818 7.1818 8.1052 8.1052 8.7073 8.7073 8.7868 8.7868 9.4355 9.4355 k = 0.5000 0.2887 0.2889 ( 10522 PWs) bands (ev): -48.9688 -48.9688 -48.9476 -48.9476 -26.5850 -26.5850 -26.5348 -26.5348 -24.5341 -24.5341 -24.5087 -24.5087 -24.4667 -24.4667 -24.3574 -24.3574 -7.2512 -7.2512 -6.8133 -6.8133 -6.6613 -6.6613 -6.6317 -6.6317 -6.6288 -6.6288 -6.5866 -6.5866 0.9669 0.9669 1.3356 1.3356 1.6617 1.6617 1.6863 1.6863 1.8195 1.8195 2.1985 2.1985 2.4077 2.4077 2.4703 2.4703 2.7119 2.7119 2.9045 2.9045 3.2467 3.2467 3.3443 3.3443 3.6165 3.6165 3.8114 3.8114 4.1041 4.1041 4.3927 4.3927 4.6820 4.6820 4.8900 4.8900 5.9832 5.9832 6.6617 6.6617 6.8451 6.8451 6.9539 6.9539 7.1960 7.1960 8.1753 8.1753 8.7242 8.7242 8.7842 8.7842 9.4775 9.4775 k = 0.5000 0.2887 0.2667 ( 10534 PWs) bands (ev): -48.9696 -48.9696 -48.9469 -48.9469 -26.5869 -26.5869 -26.5334 -26.5334 -24.5394 -24.5394 -24.5101 -24.5101 -24.4654 -24.4654 -24.3513 -24.3513 -7.2707 -7.2707 -6.8185 -6.8185 -6.6565 -6.6565 -6.6317 -6.6317 -6.6280 -6.6280 -6.5647 -6.5647 0.9487 0.9487 1.3116 1.3116 1.6561 1.6561 1.7067 1.7067 1.8481 1.8481 2.2399 2.2399 2.4004 2.4004 2.4732 2.4732 2.7115 2.7115 2.9147 2.9147 3.2372 3.2372 3.3045 3.3045 3.6244 3.6244 3.7643 3.7643 4.1005 4.1005 4.3903 4.3903 4.6723 4.6723 4.9089 4.9089 5.9085 5.9085 6.6536 6.6536 6.8588 6.8588 6.9547 6.9547 7.2089 7.2089 8.2303 8.2303 8.7436 8.7436 8.7959 8.7959 9.4919 9.4919 k = 0.5000 0.2887 0.2445 ( 10536 PWs) bands (ev): -48.9702 -48.9702 -48.9463 -48.9463 -26.5887 -26.5887 -26.5321 -26.5321 -24.5444 -24.5444 -24.5113 -24.5113 -24.4641 -24.4641 -24.3455 -24.3455 -7.2889 -7.2889 -6.8233 -6.8233 -6.6521 -6.6521 -6.6322 -6.6322 -6.6276 -6.6276 -6.5431 -6.5431 0.9315 0.9315 1.2868 1.2868 1.6469 1.6469 1.7329 1.7329 1.8800 1.8800 2.2732 2.2732 2.4023 2.4023 2.4808 2.4808 2.7116 2.7116 2.9220 2.9220 3.1837 3.1837 3.3043 3.3043 3.6040 3.6040 3.7364 3.7364 4.1034 4.1034 4.3879 4.3879 4.6660 4.6660 4.9273 4.9273 5.8349 5.8349 6.6459 6.6459 6.8719 6.8719 6.9551 6.9551 7.2206 7.2206 8.2666 8.2666 8.7708 8.7708 8.8189 8.8189 9.5005 9.5005 k = 0.5000 0.2887 0.2223 ( 10536 PWs) bands (ev): -48.9708 -48.9708 -48.9457 -48.9457 -26.5903 -26.5903 -26.5309 -26.5309 -24.5489 -24.5489 -24.5125 -24.5125 -24.4629 -24.4629 -24.3401 -24.3401 -7.3057 -7.3057 -6.8278 -6.8278 -6.6480 -6.6480 -6.6327 -6.6327 -6.6275 -6.6275 -6.5227 -6.5227 0.9152 0.9152 1.2619 1.2619 1.6370 1.6370 1.7618 1.7618 1.9144 1.9144 2.2898 2.2898 2.4226 2.4226 2.4917 2.4917 2.7124 2.7124 2.9262 2.9262 3.1198 3.1198 3.3098 3.3098 3.5605 3.5605 3.7237 3.7237 4.1115 4.1115 4.3860 4.3860 4.6647 4.6647 4.9450 4.9450 5.7624 5.7624 6.6386 6.6386 6.8842 6.8842 6.9550 6.9550 7.2310 7.2310 8.2846 8.2846 8.8075 8.8075 8.8503 8.8503 9.5043 9.5043 k = 0.5000 0.2887 0.2000 ( 10548 PWs) bands (ev): -48.9714 -48.9714 -48.9451 -48.9451 -26.5918 -26.5918 -26.5299 -26.5299 -24.5531 -24.5531 -24.5136 -24.5136 -24.4618 -24.4618 -24.3351 -24.3351 -7.3210 -7.3210 -6.8319 -6.8319 -6.6443 -6.6443 -6.6332 -6.6332 -6.6275 -6.6275 -6.5037 -6.5037 0.9000 0.9000 1.2378 1.2378 1.6271 1.6271 1.7929 1.7929 1.9503 1.9503 2.2905 2.2905 2.4593 2.4593 2.5061 2.5061 2.7140 2.7140 2.9274 2.9274 3.0561 3.0561 3.3100 3.3100 3.5078 3.5078 3.7151 3.7151 4.1221 4.1221 4.3857 4.3857 4.6698 4.6698 4.9618 4.9618 5.6910 5.6910 6.6316 6.6316 6.8955 6.8955 6.9543 6.9543 7.2402 7.2402 8.2878 8.2878 8.8477 8.8477 8.8913 8.8913 9.5043 9.5043 k = 0.5000 0.2887 0.1778 ( 10564 PWs) bands (ev): -48.9719 -48.9719 -48.9447 -48.9447 -26.5932 -26.5932 -26.5289 -26.5289 -24.5568 -24.5568 -24.5146 -24.5146 -24.4608 -24.4608 -24.3306 -24.3306 -7.3348 -7.3348 -6.8356 -6.8356 -6.6410 -6.6410 -6.6337 -6.6337 -6.6276 -6.6276 -6.4864 -6.4864 0.8861 0.8861 1.2151 1.2151 1.6177 1.6177 1.8258 1.8258 1.9870 1.9870 2.2834 2.2834 2.4958 2.4958 2.5305 2.5305 2.7168 2.7168 2.9259 2.9259 2.9953 2.9953 3.3018 3.3018 3.4530 3.4530 3.7071 3.7071 4.1321 4.1321 4.3876 4.3876 4.6823 4.6823 4.9775 4.9775 5.6209 5.6209 6.6252 6.6252 6.9056 6.9056 6.9532 6.9532 7.2483 7.2483 8.2813 8.2813 8.8840 8.8840 8.9428 8.9428 9.5012 9.5012 k = 0.5000 0.2887 0.1556 ( 10552 PWs) bands (ev): -48.9724 -48.9724 -48.9442 -48.9442 -26.5944 -26.5944 -26.5280 -26.5280 -24.5602 -24.5602 -24.5154 -24.5154 -24.4599 -24.4599 -24.3266 -24.3266 -7.3471 -7.3471 -6.8390 -6.8390 -6.6380 -6.6380 -6.6341 -6.6341 -6.6277 -6.6277 -6.4707 -6.4707 0.8735 0.8735 1.1943 1.1943 1.6090 1.6090 1.8601 1.8601 2.0235 2.0235 2.2739 2.2739 2.5139 2.5139 2.5754 2.5754 2.7216 2.7216 2.9218 2.9218 2.9401 2.9401 3.2839 3.2839 3.3989 3.3989 3.6999 3.6999 4.1392 4.1392 4.3919 4.3919 4.7027 4.7027 4.9920 4.9920 5.5521 5.5521 6.6194 6.6194 6.9145 6.9145 6.9516 6.9516 7.2553 7.2553 8.2696 8.2696 8.9158 8.9158 8.9994 8.9994 9.4959 9.4959 k = 0.5000 0.2887 0.1334 ( 10534 PWs) bands (ev): -48.9728 -48.9728 -48.9437 -48.9437 -26.5955 -26.5955 -26.5273 -26.5273 -24.5631 -24.5631 -24.5162 -24.5162 -24.4592 -24.4592 -24.3231 -24.3231 -7.3578 -7.3578 -6.8419 -6.8419 -6.6357 -6.6357 -6.6342 -6.6342 -6.6278 -6.6278 -6.4570 -6.4570 0.8623 0.8623 1.1755 1.1755 1.6011 1.6011 1.8955 1.8955 2.0590 2.0590 2.2638 2.2638 2.5208 2.5208 2.6274 2.6274 2.7301 2.7301 2.8883 2.8883 2.9206 2.9206 3.2561 3.2561 3.3465 3.3465 3.6944 3.6944 4.1427 4.1427 4.3981 4.3981 4.7306 4.7306 5.0049 5.0049 5.4848 5.4848 6.6141 6.6141 6.9220 6.9220 6.9498 6.9498 7.2612 7.2612 8.2558 8.2558 8.9442 8.9442 9.0554 9.0554 9.4892 9.4892 k = 0.5000 0.2887 0.1111 ( 10538 PWs) bands (ev): -48.9731 -48.9731 -48.9434 -48.9434 -26.5965 -26.5965 -26.5266 -26.5266 -24.5655 -24.5655 -24.5168 -24.5168 -24.4585 -24.4585 -24.3201 -24.3201 -7.3670 -7.3670 -6.8444 -6.8444 -6.6353 -6.6353 -6.6329 -6.6329 -6.6280 -6.6280 -6.4452 -6.4452 0.8526 0.8526 1.1593 1.1593 1.5942 1.5942 1.9310 1.9310 2.0927 2.0927 2.2542 2.2542 2.5196 2.5196 2.6751 2.6751 2.7471 2.7471 2.8477 2.8477 2.9187 2.9187 3.2200 3.2200 3.2953 3.2953 3.6909 3.6909 4.1431 4.1431 4.4052 4.4052 4.7651 4.7651 5.0163 5.0163 5.4194 5.4194 6.6095 6.6095 6.9282 6.9282 6.9480 6.9480 7.2661 7.2661 8.2420 8.2420 8.9693 8.9693 9.1072 9.1072 9.4821 9.4821 k = 0.5000 0.2887 0.0889 ( 10548 PWs) bands (ev): -48.9733 -48.9733 -48.9432 -48.9432 -26.5972 -26.5972 -26.5261 -26.5261 -24.5676 -24.5676 -24.5174 -24.5174 -24.4580 -24.4580 -24.3176 -24.3176 -7.3745 -7.3745 -6.8464 -6.8464 -6.6355 -6.6355 -6.6312 -6.6312 -6.6281 -6.6281 -6.4354 -6.4354 0.8446 0.8446 1.1457 1.1457 1.5884 1.5884 1.9655 1.9655 2.1235 2.1235 2.2451 2.2451 2.5103 2.5103 2.7064 2.7064 2.7798 2.7798 2.8187 2.8187 2.9216 2.9216 3.1785 3.1785 3.2440 3.2440 3.6892 3.6892 4.1415 4.1415 4.4121 4.4121 4.8045 4.8045 5.0260 5.0260 5.3566 5.3566 6.6057 6.6057 6.9332 6.9332 6.9462 6.9462 7.2701 7.2701 8.2294 8.2294 8.9907 8.9907 9.1523 9.1523 9.4752 9.4752 k = 0.5000 0.2887 0.0667 ( 10554 PWs) bands (ev): -48.9735 -48.9735 -48.9430 -48.9430 -26.5978 -26.5978 -26.5257 -26.5257 -24.5692 -24.5692 -24.5178 -24.5178 -24.4575 -24.4575 -24.3156 -24.3156 -7.3803 -7.3803 -6.8480 -6.8480 -6.6357 -6.6357 -6.6298 -6.6298 -6.6282 -6.6282 -6.4278 -6.4278 0.8383 0.8383 1.1350 1.1350 1.5839 1.5839 1.9973 1.9973 2.1506 2.1506 2.2365 2.2365 2.4949 2.4949 2.7221 2.7221 2.7862 2.7862 2.8408 2.8408 2.9315 2.9315 3.1348 3.1348 3.1912 3.1912 3.6886 3.6886 4.1391 4.1391 4.4181 4.4181 4.8462 4.8462 5.0341 5.0341 5.2976 5.2976 6.6027 6.6027 6.9369 6.9369 6.9447 6.9447 7.2731 7.2731 8.2190 8.2190 9.0079 9.0079 9.1890 9.1890 9.4692 9.4692 k = 0.5000 0.2887 0.0445 ( 10554 PWs) bands (ev): -48.9737 -48.9737 -48.9429 -48.9429 -26.5983 -26.5983 -26.5254 -26.5254 -24.5703 -24.5703 -24.5181 -24.5181 -24.4572 -24.4572 -24.3142 -24.3142 -7.3845 -7.3845 -6.8492 -6.8492 -6.6359 -6.6359 -6.6288 -6.6288 -6.6282 -6.6282 -6.4223 -6.4223 0.8337 0.8337 1.1272 1.1272 1.5805 1.5805 2.0239 2.0239 2.1732 2.1732 2.2281 2.2281 2.4778 2.4778 2.7314 2.7314 2.7708 2.7708 2.8969 2.8969 2.9495 2.9495 3.0914 3.0914 3.1366 3.1366 3.6887 3.6887 4.1367 4.1367 4.4226 4.4226 4.8862 4.8862 5.0406 5.0406 5.2454 5.2454 6.6005 6.6005 6.9394 6.9394 6.9435 6.9435 7.2752 7.2752 8.2112 8.2112 9.0205 9.0205 9.2161 9.2161 9.4646 9.4646 k = 0.5000 0.2887 0.0222 ( 10544 PWs) bands (ev): -48.9737 -48.9737 -48.9428 -48.9428 -26.5985 -26.5985 -26.5252 -26.5252 -24.5710 -24.5710 -24.5182 -24.5182 -24.4571 -24.4571 -24.3134 -24.3134 -7.3870 -7.3870 -6.8499 -6.8499 -6.6360 -6.6360 -6.6283 -6.6283 -6.6281 -6.6281 -6.4189 -6.4189 0.8310 0.8310 1.1225 1.1225 1.5785 1.5785 2.0421 2.0421 2.1907 2.1907 2.2195 2.2195 2.4645 2.4645 2.7385 2.7385 2.7589 2.7589 2.9551 2.9551 2.9749 2.9749 3.0502 3.0502 3.0812 3.0812 3.6890 3.6890 4.1351 4.1351 4.4255 4.4255 4.9175 4.9175 5.0457 5.0457 5.2058 5.2058 6.5991 6.5991 6.9409 6.9409 6.9428 6.9428 7.2765 7.2765 8.2065 8.2065 9.0282 9.0282 9.2327 9.2327 9.4616 9.4616 k = 0.5000 0.2887-0.0000 ( 10564 PWs) bands (ev): -48.9738 -48.9738 -48.9428 -48.9428 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3879 -7.3879 -6.8501 -6.8501 -6.6360 -6.6360 -6.6283 -6.6283 -6.6279 -6.6279 -6.4178 -6.4178 0.8301 0.8301 1.1209 1.1209 1.5778 1.5778 2.0486 2.0486 2.1999 2.1999 2.2133 2.2133 2.4595 2.4595 2.7430 2.7430 2.7527 2.7527 2.9936 2.9936 3.0100 3.0100 3.0114 3.0114 3.0421 3.0421 3.6891 3.6891 4.1345 4.1345 4.4265 4.4265 4.9300 4.9300 5.0480 5.0480 5.1901 5.1901 6.5987 6.5987 6.9413 6.9413 6.9426 6.9426 7.2769 7.2769 8.2048 8.2048 9.0308 9.0308 9.2383 9.2383 9.4606 9.4606 k = 0.3333 0.5774-0.0000 ( 10509 PWs) bands (ev): -48.9736 -48.9736 -48.9426 -48.9426 -26.5986 -26.5986 -26.5252 -26.5252 -24.5712 -24.5712 -24.5183 -24.5183 -24.4570 -24.4570 -24.3131 -24.3131 -7.3469 -7.3469 -6.8104 -6.8104 -6.7927 -6.7927 -6.6007 -6.6007 -6.5963 -6.5963 -6.4131 -6.4131 1.0626 1.0626 1.1751 1.1751 1.4901 1.4901 1.8975 1.8975 2.1228 2.1228 2.1761 2.1761 2.3624 2.3624 2.5834 2.5834 2.6561 2.6561 2.9941 2.9941 3.0144 3.0144 3.3667 3.3667 3.4036 3.4036 3.6368 3.6368 4.1502 4.1502 4.1801 4.1801 4.8485 4.8485 4.9310 4.9310 5.2595 5.2595 6.8194 6.8194 6.9429 6.9429 6.9563 6.9563 6.9696 6.9696 8.7084 8.7084 8.7714 8.7714 9.1563 9.1563 10.0209 10.0209 k = 0.3333 0.5774 0.0222 ( 10515 PWs) bands (ev): -48.9736 -48.9736 -48.9427 -48.9427 -26.5985 -26.5985 -26.5252 -26.5252 -24.5710 -24.5710 -24.5182 -24.5182 -24.4570 -24.4570 -24.3134 -24.3134 -7.3461 -7.3461 -6.8102 -6.8102 -6.7924 -6.7924 -6.6009 -6.6009 -6.5964 -6.5964 -6.4141 -6.4141 1.0609 1.0609 1.1793 1.1793 1.4905 1.4905 1.8974 1.8974 2.1129 2.1129 2.1705 2.1705 2.3704 2.3704 2.5867 2.5867 2.6616 2.6616 2.9912 2.9912 3.0081 3.0081 3.3721 3.3721 3.4040 3.4040 3.6370 3.6370 4.1548 4.1548 4.1810 4.1810 4.8126 4.8126 4.9641 4.9641 5.2629 5.2629 6.8193 6.8193 6.9430 6.9430 6.9564 6.9564 6.9693 6.9693 8.7068 8.7068 8.7694 8.7694 9.1499 9.1499 10.0203 10.0203 k = 0.3333 0.5774 0.0445 ( 10509 PWs) bands (ev): -48.9735 -48.9735 -48.9428 -48.9428 -26.5983 -26.5983 -26.5254 -26.5254 -24.5703 -24.5703 -24.5181 -24.5181 -24.4572 -24.4572 -24.3142 -24.3142 -7.3436 -7.3436 -6.8095 -6.8095 -6.7918 -6.7918 -6.6015 -6.6015 -6.5970 -6.5970 -6.4173 -6.4173 1.0567 1.0567 1.1910 1.1910 1.4917 1.4917 1.8969 1.8969 2.0873 2.0873 2.1545 2.1545 2.3895 2.3895 2.5969 2.5969 2.6770 2.6770 2.9826 2.9826 2.9908 2.9908 3.3866 3.3866 3.4055 3.4055 3.6381 3.6381 4.1685 4.1685 4.1835 4.1835 4.7528 4.7528 5.0145 5.0145 5.2744 5.2744 6.8192 6.8192 6.9433 6.9433 6.9564 6.9564 6.9684 6.9684 8.7018 8.7018 8.7636 8.7636 9.1310 9.1310 10.0184 10.0184 k = 0.3333 0.5774 0.0667 ( 10512 PWs) bands (ev): -48.9734 -48.9734 -48.9429 -48.9429 -26.5978 -26.5978 -26.5257 -26.5257 -24.5691 -24.5691 -24.5178 -24.5178 -24.4575 -24.4575 -24.3156 -24.3156 -7.3395 -7.3395 -6.8084 -6.8084 -6.7908 -6.7908 -6.6024 -6.6024 -6.5978 -6.5978 -6.4225 -6.4225 1.0516 1.0516 1.2084 1.2084 1.4938 1.4938 1.8959 1.8959 2.0531 2.0531 2.1303 2.1303 2.4114 2.4114 2.6149 2.6149 2.6992 2.6992 2.9668 2.9668 2.9692 2.9692 3.4054 3.4054 3.4086 3.4086 3.6408 3.6408 4.1878 4.1878 4.1903 4.1903 4.6904 4.6904 5.0569 5.0569 5.2979 5.2979 6.8190 6.8190 6.9436 6.9436 6.9565 6.9565 6.9668 6.9668 8.6939 8.6939 8.7544 8.7544 9.0997 9.0997 10.0149 10.0149 k = 0.3333 0.5774 0.0889 ( 10527 PWs) bands (ev): -48.9733 -48.9733 -48.9431 -48.9431 -26.5972 -26.5972 -26.5261 -26.5261 -24.5676 -24.5676 -24.5174 -24.5174 -24.4580 -24.4580 -24.3176 -24.3176 -7.3338 -7.3338 -6.8069 -6.8069 -6.7893 -6.7893 -6.6037 -6.6037 -6.5991 -6.5991 -6.4298 -6.4298 1.0470 1.0470 1.2299 1.2299 1.4966 1.4966 1.8940 1.8940 2.0153 2.0153 2.1007 2.1007 2.4303 2.4303 2.6403 2.6403 2.7247 2.7247 2.9413 2.9413 2.9522 2.9522 3.4145 3.4145 3.4234 3.4234 3.6465 3.6465 4.1935 4.1935 4.2192 4.2192 4.6292 4.6292 5.0846 5.0846 5.3370 5.3370 6.8186 6.8186 6.9437 6.9437 6.9567 6.9567 6.9645 6.9645 8.6834 8.6834 8.7421 8.7421 9.0569 9.0569 10.0091 10.0091 k = 0.3333 0.5774 0.1111 ( 10539 PWs) bands (ev): -48.9731 -48.9731 -48.9434 -48.9434 -26.5965 -26.5965 -26.5266 -26.5266 -24.5655 -24.5655 -24.5168 -24.5168 -24.4585 -24.4585 -24.3201 -24.3201 -7.3264 -7.3264 -6.8049 -6.8049 -6.7875 -6.7875 -6.6054 -6.6054 -6.6006 -6.6006 -6.4391 -6.4391 1.0440 1.0440 1.2543 1.2543 1.5001 1.5001 1.8904 1.8904 1.9774 1.9774 2.0676 2.0676 2.4440 2.4440 2.6693 2.6693 2.7490 2.7490 2.9202 2.9202 2.9335 2.9335 3.4244 3.4244 3.4364 3.4364 3.6562 3.6562 4.2007 4.2007 4.2540 4.2540 4.5708 4.5708 5.0976 5.0976 5.3905 5.3905 6.8181 6.8181 6.9436 6.9436 6.9570 6.9570 6.9615 6.9615 8.6708 8.6708 8.7275 8.7275 9.0031 9.0031 10.0002 10.0002 k = 0.3333 0.5774 0.1334 ( 10533 PWs) bands (ev): -48.9727 -48.9727 -48.9437 -48.9437 -26.5955 -26.5955 -26.5273 -26.5273 -24.5631 -24.5631 -24.5162 -24.5162 -24.4592 -24.4592 -24.3231 -24.3231 -7.3175 -7.3175 -6.8025 -6.8025 -6.7853 -6.7853 -6.6075 -6.6075 -6.6025 -6.6025 -6.4503 -6.4503 1.0429 1.0429 1.2807 1.2807 1.5043 1.5043 1.8831 1.8831 1.9428 1.9428 2.0329 2.0329 2.4531 2.4531 2.6940 2.6940 2.7675 2.7675 2.9113 2.9113 2.9162 2.9162 3.4396 3.4396 3.4420 3.4420 3.6699 3.6699 4.2090 4.2090 4.2931 4.2931 4.5166 4.5166 5.0997 5.0997 5.4543 5.4543 6.8173 6.8173 6.9431 6.9431 6.9574 6.9574 6.9576 6.9576 8.6568 8.6568 8.7113 8.7113 8.9395 8.9395 9.9875 9.9875 k = 0.3333 0.5774 0.1556 ( 10530 PWs) bands (ev): -48.9723 -48.9723 -48.9441 -48.9441 -26.5944 -26.5944 -26.5280 -26.5280 -24.5601 -24.5601 -24.5154 -24.5154 -24.4599 -24.4599 -24.3266 -24.3266 -7.3070 -7.3070 -6.7998 -6.7998 -6.7826 -6.7826 -6.6100 -6.6100 -6.6048 -6.6048 -6.4634 -6.4634 1.0442 1.0442 1.3084 1.3084 1.5090 1.5090 1.8673 1.8673 1.9167 1.9167 1.9976 1.9976 2.4594 2.4594 2.7050 2.7050 2.7750 2.7750 2.9039 2.9039 2.9232 2.9232 3.4400 3.4400 3.4614 3.4614 3.6856 3.6856 4.2178 4.2178 4.3353 4.3353 4.4683 4.4683 5.0948 5.0948 5.5242 5.5242 6.8163 6.8163 6.9420 6.9420 6.9529 6.9529 6.9578 6.9578 8.6422 8.6422 8.6944 8.6944 8.8669 8.8669 9.9699 9.9699 k = 0.3333 0.5774 0.1778 ( 10533 PWs) bands (ev): -48.9719 -48.9719 -48.9445 -48.9445 -26.5932 -26.5932 -26.5289 -26.5289 -24.5568 -24.5568 -24.5146 -24.5146 -24.4608 -24.4608 -24.3307 -24.3307 -7.2950 -7.2950 -6.7966 -6.7966 -6.7796 -6.7796 -6.6128 -6.6128 -6.6074 -6.6074 -6.4783 -6.4783 1.0480 1.0480 1.3367 1.3367 1.5141 1.5141 1.8411 1.8411 1.9014 1.9014 1.9627 1.9627 2.4641 2.4641 2.7006 2.7006 2.7689 2.7689 2.8987 2.8987 2.9565 2.9565 3.4318 3.4318 3.4908 3.4908 3.7004 3.7004 4.2264 4.2264 4.3793 4.3793 4.4276 4.4276 5.0851 5.0851 5.5978 5.5978 6.8149 6.8149 6.9402 6.9402 6.9471 6.9471 6.9580 6.9580 8.6277 8.6277 8.6777 8.6777 8.7866 8.7866 9.9412 9.9412 k = 0.3333 0.5774 0.2000 ( 10527 PWs) bands (ev): -48.9714 -48.9714 -48.9450 -48.9450 -26.5918 -26.5918 -26.5299 -26.5299 -24.5531 -24.5531 -24.5136 -24.5136 -24.4618 -24.4618 -24.3352 -24.3352 -7.2815 -7.2815 -6.7930 -6.7930 -6.7763 -6.7763 -6.6159 -6.6159 -6.6103 -6.6103 -6.4950 -6.4950 1.0543 1.0543 1.3649 1.3649 1.5196 1.5196 1.8103 1.8103 1.8910 1.8910 1.9287 1.9287 2.4684 2.4684 2.6873 2.6873 2.7520 2.7520 2.8976 2.8976 3.0040 3.0040 3.4192 3.4192 3.5281 3.5281 3.7110 3.7110 4.2337 4.2337 4.3970 4.3970 4.4239 4.4239 5.0721 5.0721 5.6736 5.6736 6.8131 6.8131 6.9377 6.9377 6.9405 6.9405 6.9580 6.9580 8.6140 8.6140 8.6615 8.6615 8.6999 8.6999 9.9061 9.9061 k = 0.3333 0.5774 0.2223 ( 10554 PWs) bands (ev): -48.9709 -48.9709 -48.9456 -48.9456 -26.5903 -26.5903 -26.5309 -26.5309 -24.5489 -24.5489 -24.5125 -24.5125 -24.4629 -24.4629 -24.3401 -24.3401 -7.2665 -7.2665 -6.7891 -6.7891 -6.7726 -6.7726 -6.6195 -6.6195 -6.6135 -6.6135 -6.5132 -6.5132 1.0631 1.0631 1.3924 1.3924 1.5254 1.5254 1.7795 1.7795 1.8810 1.8810 1.8960 1.8960 2.4735 2.4735 2.6717 2.6717 2.7295 2.7295 2.8960 2.8960 3.0578 3.0578 3.4043 3.4043 3.5730 3.5730 3.7146 3.7146 4.2385 4.2385 4.3784 4.3784 4.4680 4.4680 5.0567 5.0567 5.7508 5.7508 6.8108 6.8108 6.9328 6.9328 6.9345 6.9345 6.9577 6.9577 8.6019 8.6019 8.6054 8.6054 8.6493 8.6493 9.8645 9.8645 k = 0.3333 0.5774 0.2445 ( 10548 PWs) bands (ev): -48.9703 -48.9703 -48.9462 -48.9462 -26.5887 -26.5887 -26.5321 -26.5321 -24.5444 -24.5444 -24.5113 -24.5113 -24.4641 -24.4641 -24.3455 -24.3455 -7.2501 -7.2501 -6.7849 -6.7849 -6.7686 -6.7686 -6.6233 -6.6233 -6.6170 -6.6170 -6.5330 -6.5330 1.0745 1.0745 1.4184 1.4184 1.5312 1.5312 1.7500 1.7500 1.8649 1.8649 1.8697 1.8697 2.4800 2.4800 2.6574 2.6574 2.7049 2.7049 2.8914 2.8914 3.1122 3.1122 3.3900 3.3900 3.6249 3.6249 3.7097 3.7097 4.2407 4.2407 4.3722 4.3722 4.5106 4.5106 5.0396 5.0396 5.8290 5.8290 6.8079 6.8079 6.9244 6.9244 6.9306 6.9306 6.9568 6.9568 8.5084 8.5084 8.5921 8.5921 8.6377 8.6377 9.8164 9.8164 k = 0.3333 0.5774 0.2667 ( 10566 PWs) bands (ev): -48.9696 -48.9696 -48.9470 -48.9470 -26.5869 -26.5869 -26.5334 -26.5334 -24.5394 -24.5394 -24.5101 -24.5101 -24.4654 -24.4654 -24.3513 -24.3513 -7.2324 -7.2324 -6.7803 -6.7803 -6.7643 -6.7643 -6.6276 -6.6276 -6.6208 -6.6208 -6.5542 -6.5542 1.0883 1.0883 1.4424 1.4424 1.5371 1.5371 1.7225 1.7225 1.8356 1.8356 1.8567 1.8567 2.4889 2.4889 2.6463 2.6463 2.6805 2.6805 2.8830 2.8830 3.1603 3.1603 3.3813 3.3813 3.6826 3.6826 3.6957 3.6957 4.2419 4.2419 4.3762 4.3762 4.5507 4.5507 5.0211 5.0211 5.9079 5.9079 6.8045 6.8045 6.9152 6.9152 6.9260 6.9260 6.9554 6.9554 8.4073 8.4073 8.5853 8.5853 8.6298 8.6298 9.7624 9.7624 k = 0.3333 0.5774 0.2889 ( 10554 PWs) bands (ev): -48.9689 -48.9689 -48.9477 -48.9477 -26.5851 -26.5851 -26.5348 -26.5348 -24.5341 -24.5341 -24.5087 -24.5087 -24.4667 -24.4667 -24.3574 -24.3574 -7.2133 -7.2133 -6.7754 -6.7754 -6.7596 -6.7596 -6.6322 -6.6322 -6.6249 -6.6249 -6.5766 -6.5766 1.1045 1.1045 1.4638 1.4638 1.5429 1.5429 1.6969 1.6969 1.8081 1.8081 1.8416 1.8416 2.5006 2.5006 2.6394 2.6394 2.6575 2.6575 2.8709 2.8709 3.1925 3.1925 3.3865 3.3865 3.6738 3.6738 3.7451 3.7451 4.2437 4.2437 4.3871 4.3871 4.5873 4.5873 5.0014 5.0014 5.9873 5.9873 6.8006 6.8006 6.9055 6.9055 6.9208 6.9208 6.9534 6.9534 8.3033 8.3033 8.5820 8.5820 8.6259 8.6259 9.7031 9.7031 k = 0.3333 0.5774 0.3112 ( 10551 PWs) bands (ev): -48.9682 -48.9682 -48.9484 -48.9484 -26.5831 -26.5831 -26.5363 -26.5363 -24.5285 -24.5285 -24.5073 -24.5073 -24.4682 -24.4682 -24.3639 -24.3639 -7.1930 -7.1930 -6.7702 -6.7702 -6.7548 -6.7548 -6.6373 -6.6373 -6.6293 -6.6293 -6.6000 -6.6000 1.1229 1.1229 1.4822 1.4822 1.5485 1.5485 1.6732 1.6732 1.7826 1.7826 1.8245 1.8245 2.5158 2.5158 2.6368 2.6368 2.6373 2.6373 2.8557 2.8557 3.2008 3.2008 3.4116 3.4116 3.6470 3.6470 3.8111 3.8111 4.2464 4.2464 4.4024 4.4024 4.6195 4.6195 4.9810 4.9810 6.0672 6.0672 6.7962 6.7962 6.8955 6.8955 6.9153 6.9153 6.9507 6.9507 8.1974 8.1974 8.5826 8.5826 8.6263 8.6263 9.6393 9.6393 k = 0.3333 0.5774 0.3334 ( 10560 PWs) bands (ev): -48.9674 -48.9674 -48.9492 -48.9492 -26.5810 -26.5810 -26.5379 -26.5379 -24.5225 -24.5225 -24.5058 -24.5058 -24.4697 -24.4697 -24.3708 -24.3708 -7.1716 -7.1716 -6.7648 -6.7648 -6.7496 -6.7496 -6.6435 -6.6435 -6.6339 -6.6339 -6.6236 -6.6236 1.1435 1.1435 1.4975 1.4975 1.5540 1.5540 1.6512 1.6512 1.7591 1.7591 1.8056 1.8056 2.5348 2.5348 2.6189 2.6189 2.6402 2.6402 2.8378 2.8378 3.1896 3.1896 3.4468 3.4468 3.6218 3.6218 3.8797 3.8797 4.2492 4.2492 4.4206 4.4206 4.6465 4.6465 4.9598 4.9598 6.1477 6.1477 6.7914 6.7914 6.8852 6.8852 6.9096 6.9096 6.9474 6.9474 8.0902 8.0902 8.5876 8.5876 8.6315 8.6315 9.5721 9.5721 k = 0.3333 0.5774 0.3556 ( 10557 PWs) bands (ev): -48.9666 -48.9666 -48.9500 -48.9500 -26.5789 -26.5789 -26.5396 -26.5396 -24.5162 -24.5162 -24.5042 -24.5042 -24.4713 -24.4713 -24.3779 -24.3779 -7.1490 -7.1490 -6.7591 -6.7591 -6.7443 -6.7443 -6.6562 -6.6562 -6.6420 -6.6420 -6.6388 -6.6388 1.1660 1.1660 1.5099 1.5099 1.5592 1.5592 1.6306 1.6306 1.7374 1.7374 1.7850 1.7850 2.5576 2.5576 2.6042 2.6042 2.6482 2.6482 2.8181 2.8181 3.1678 3.1678 3.4680 3.4680 3.6147 3.6147 3.9499 3.9499 4.2507 4.2507 4.4410 4.4410 4.6675 4.6675 4.9380 4.9380 6.2286 6.2286 6.7867 6.7867 6.8750 6.8750 6.9041 6.9041 6.9436 6.9436 7.9824 7.9824 8.5973 8.5973 8.6416 8.6416 9.5024 9.5024 k = 0.3333 0.5774 0.3778 ( 10551 PWs) bands (ev): -48.9657 -48.9657 -48.9509 -48.9509 -26.5767 -26.5767 -26.5414 -26.5414 -24.5096 -24.5096 -24.5025 -24.5025 -24.4730 -24.4730 -24.3852 -24.3852 -7.1254 -7.1254 -6.7532 -6.7532 -6.7388 -6.7388 -6.6801 -6.6801 -6.6503 -6.6503 -6.6438 -6.6438 1.1903 1.1903 1.5196 1.5196 1.5643 1.5643 1.6108 1.6108 1.7176 1.7176 1.7632 1.7632 2.5836 2.5836 2.5929 2.5929 2.6614 2.6614 2.7968 2.7968 3.1409 3.1409 3.4541 3.4541 3.6426 3.6426 4.0208 4.0208 4.2493 4.2493 4.4635 4.4635 4.6819 4.6819 4.9155 4.9155 6.3102 6.3102 6.7823 6.7823 6.8647 6.8647 6.8990 6.8990 6.9393 6.9393 7.8745 7.8745 8.6117 8.6117 8.6567 8.6567 9.4312 9.4312 k = 0.3333 0.5774 0.4001 ( 10527 PWs) bands (ev): -48.9648 -48.9648 -48.9517 -48.9517 -26.5745 -26.5745 -26.5433 -26.5433 -24.5027 -24.5027 -24.5008 -24.5008 -24.4747 -24.4747 -24.3928 -24.3928 -7.1007 -7.1007 -6.7472 -6.7472 -6.7330 -6.7330 -6.7069 -6.7069 -6.6566 -6.6566 -6.6491 -6.6491 1.2162 1.2162 1.5272 1.5272 1.5693 1.5693 1.5915 1.5915 1.6995 1.6995 1.7406 1.7406 2.5853 2.5853 2.6121 2.6121 2.6801 2.6801 2.7746 2.7746 3.1117 3.1117 3.4165 3.4165 3.6922 3.6922 4.0918 4.0918 4.2439 4.2439 4.4879 4.4879 4.6890 4.6890 4.8922 4.8922 6.3923 6.3923 6.7785 6.7785 6.8546 6.8546 6.8947 6.8947 6.9348 6.9348 7.7672 7.7672 8.6312 8.6312 8.6771 8.6771 9.3595 9.3595 k = 0.3333 0.5774 0.4223 ( 10527 PWs) bands (ev): -48.9639 -48.9639 -48.9525 -48.9525 -26.5722 -26.5722 -26.5452 -26.5452 -24.4990 -24.4990 -24.4955 -24.4955 -24.4765 -24.4765 -24.4005 -24.4005 -7.0753 -7.0753 -6.7418 -6.7418 -6.7339 -6.7339 -6.7272 -6.7272 -6.6627 -6.6627 -6.6546 -6.6546 1.2435 1.2435 1.5325 1.5325 1.5731 1.5731 1.5742 1.5742 1.6830 1.6830 1.7175 1.7175 2.5814 2.5814 2.6415 2.6415 2.7043 2.7043 2.7519 2.7519 3.0819 3.0819 3.3695 3.3695 3.7487 3.7487 4.1620 4.1620 4.2337 4.2337 4.5143 4.5143 4.6886 4.6886 4.8679 4.8679 6.4748 6.4748 6.7758 6.7758 6.8446 6.8446 6.8913 6.8913 6.9304 6.9304 7.6609 7.6609 8.6555 8.6555 8.7024 8.7024 9.2881 9.2881 k = 0.3333 0.5774 0.4445 ( 10533 PWs) bands (ev): -48.9630 -48.9630 -48.9535 -48.9535 -26.5699 -26.5699 -26.5472 -26.5472 -24.4972 -24.4972 -24.4882 -24.4882 -24.4783 -24.4783 -24.4084 -24.4084 -7.0490 -7.0490 -6.7635 -6.7635 -6.7342 -6.7342 -6.7212 -6.7212 -6.6690 -6.6690 -6.6603 -6.6603 1.2718 1.2718 1.5324 1.5324 1.5591 1.5591 1.5794 1.5794 1.6680 1.6680 1.6945 1.6945 2.5811 2.5811 2.6707 2.6707 2.7292 2.7292 2.7337 2.7337 3.0533 3.0533 3.3182 3.3182 3.8065 3.8065 4.2182 4.2182 4.2307 4.2307 4.5424 4.5424 4.6804 4.6804 4.8425 4.8425 6.5574 6.5574 6.7744 6.7744 6.8348 6.8348 6.8888 6.8888 6.9271 6.9271 7.5559 7.5559 8.6849 8.6849 8.7328 8.7328 9.2178 9.2178 k = 0.3333 0.5774 0.4667 ( 10536 PWs) bands (ev): -48.9621 -48.9621 -48.9544 -48.9544 -26.5676 -26.5676 -26.5493 -26.5493 -24.4954 -24.4954 -24.4806 -24.4806 -24.4802 -24.4802 -24.4164 -24.4164 -7.0220 -7.0220 -6.7921 -6.7921 -6.7278 -6.7278 -6.7151 -6.7151 -6.6753 -6.6753 -6.6661 -6.6661 1.3009 1.3009 1.5190 1.5190 1.5577 1.5577 1.5848 1.5848 1.6544 1.6544 1.6721 1.6721 2.5844 2.5844 2.6991 2.6991 2.7068 2.7068 2.7656 2.7656 3.0282 3.0282 3.2649 3.2649 3.8633 3.8633 4.1973 4.1973 4.2971 4.2971 4.5719 4.5719 4.6643 4.6643 4.8159 4.8159 6.6389 6.6389 6.7746 6.7746 6.8251 6.8251 6.8865 6.8865 6.9269 6.9269 7.4528 7.4528 8.7192 8.7192 8.7681 8.7681 9.1492 9.1492 k = 0.3333 0.5774 0.4890 ( 10542 PWs) bands (ev): -48.9611 -48.9611 -48.9554 -48.9554 -26.5652 -26.5652 -26.5515 -26.5515 -24.4935 -24.4935 -24.4820 -24.4820 -24.4729 -24.4729 -24.4245 -24.4245 -6.9943 -6.9943 -6.8212 -6.8212 -6.7213 -6.7213 -6.7090 -6.7090 -6.6817 -6.6817 -6.6720 -6.6720 1.3305 1.3305 1.4975 1.4975 1.5638 1.5638 1.5906 1.5906 1.6421 1.6421 1.6509 1.6509 2.5910 2.5910 2.6852 2.6852 2.7269 2.7269 2.7948 2.7948 3.0109 3.0109 3.2111 3.2111 3.9181 3.9181 4.1712 4.1712 4.3607 4.3607 4.6026 4.6026 4.6405 4.6405 4.7880 4.7880 6.7165 6.7165 6.7765 6.7765 6.8158 6.8158 6.8832 6.8832 6.9339 6.9339 7.3521 7.3521 8.7583 8.7583 8.8080 8.8080 9.0830 9.0830 k = 0.3333 0.5774 0.5112 ( 10521 PWs) bands (ev): -48.9601 -48.9601 -48.9563 -48.9563 -26.5629 -26.5629 -26.5537 -26.5537 -24.4916 -24.4916 -24.4839 -24.4839 -24.4650 -24.4650 -24.4327 -24.4327 -6.9662 -6.9662 -6.8504 -6.8504 -6.7147 -6.7147 -6.7028 -6.7028 -6.6882 -6.6882 -6.6781 -6.6781 1.3603 1.3603 1.4730 1.4730 1.5729 1.5729 1.5970 1.5970 1.6311 1.6311 1.6312 1.6312 2.6007 2.6007 2.6646 2.6646 2.7539 2.7539 2.8134 2.8134 3.0084 3.0084 3.1580 3.1580 3.9700 3.9700 4.1399 4.1399 4.4206 4.4206 4.6093 4.6093 4.6341 4.6341 4.7588 4.7588 6.7800 6.7800 6.7833 6.7833 6.8069 6.8069 6.8776 6.8776 6.9561 6.9561 7.2545 7.2545 8.8021 8.8021 8.8524 8.8524 9.0195 9.0195 k = 0.3333 0.5774 0.5334 ( 10518 PWs) bands (ev): -48.9591 -48.9591 -48.9573 -48.9573 -26.5605 -26.5605 -26.5559 -26.5559 -24.4897 -24.4897 -24.4859 -24.4859 -24.4570 -24.4570 -24.4408 -24.4408 -6.9376 -6.9376 -6.8796 -6.8796 -6.7080 -6.7080 -6.6966 -6.6966 -6.6948 -6.6948 -6.6842 -6.6842 1.3899 1.3899 1.4466 1.4466 1.5843 1.5843 1.6042 1.6042 1.6134 1.6134 1.6211 1.6211 2.6132 2.6132 2.6455 2.6455 2.7794 2.7794 2.8147 2.8147 3.0264 3.0264 3.1073 3.1073 4.0186 4.0186 4.1039 4.1039 4.4761 4.4761 4.5711 4.5711 4.6658 4.6658 4.7285 4.7285 6.7850 6.7850 6.7987 6.7987 6.8293 6.8293 6.8687 6.8687 7.0036 7.0036 7.1614 7.1614 8.8504 8.8504 8.9011 8.9011 8.9594 8.9594 k = 0.3333 0.5774 0.5556 ( 10518 PWs) bands (ev): -48.9582 -48.9582 -48.9582 -48.9582 -26.5582 -26.5582 -26.5582 -26.5582 -24.4878 -24.4878 -24.4878 -24.4878 -24.4490 -24.4490 -24.4490 -24.4490 -6.9087 -6.9087 -6.9087 -6.9087 -6.7014 -6.7014 -6.7014 -6.7014 -6.6904 -6.6904 -6.6904 -6.6904 1.4188 1.4188 1.4188 1.4188 1.5978 1.5978 1.5978 1.5978 1.6122 1.6122 1.6122 1.6122 2.6283 2.6283 2.6283 2.6283 2.8011 2.8011 2.8011 2.8011 3.0617 3.0617 3.0617 3.0617 4.0633 4.0633 4.0633 4.0633 4.5265 4.5265 4.5265 4.5265 4.6974 4.6974 4.6974 4.6974 6.7913 6.7913 6.7913 6.7913 6.8545 6.8545 6.8545 6.8545 7.0755 7.0755 7.0755 7.0755 8.9029 8.9029 8.9029 8.9029 8.9538 8.9538 Writing output data file NbI3.save init_run : 0.31s CPU 0.45s WALL ( 1 calls) electrons : 289.92s CPU 294.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 289.92s CPU 294.87s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.09s WALL ( 226 calls) cegterg : 262.70s CPU 264.96s WALL ( 251 calls) Called by sum_band: Called by *egterg: h_psi : 155.71s CPU 158.16s WALL ( 4627 calls) s_psi : 15.88s CPU 15.90s WALL ( 4627 calls) g_psi : 0.38s CPU 0.28s WALL ( 4150 calls) cdiaghg : 83.64s CPU 83.68s WALL ( 4376 calls) cegterg:over : 12.89s CPU 12.91s WALL ( 4150 calls) cegterg:upda : 8.41s CPU 8.46s WALL ( 4150 calls) cegterg:last : 5.28s CPU 5.29s WALL ( 703 calls) cdiaghg:chol : 3.77s CPU 3.74s WALL ( 4376 calls) cdiaghg:inve : 2.76s CPU 2.68s WALL ( 4376 calls) cdiaghg:para : 5.24s CPU 5.19s WALL ( 8752 calls) Called by h_psi: h_psi:vloc : 131.75s CPU 133.92s WALL ( 4627 calls) h_psi:vnl : 23.73s CPU 23.97s WALL ( 4627 calls) add_vuspsi : 12.86s CPU 12.93s WALL ( 4627 calls) General routines calbec : 10.82s CPU 11.02s WALL ( 4627 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.37s CPU 129.36s WALL ( 764216 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 2.25s WALL ( 452 calls) Parallel routines fft_scatter : 80.67s CPU 82.48s WALL ( 764239 calls) PWSCF : 5m32.04s CPU 5m47.73s WALL This run was terminated on: 2: 6:39 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=