Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:36: 3 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: ./CsNiCl3.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 56 56 15 2395 2395 343 Max 57 57 16 2399 2399 346 Sum 4045 4045 1111 172503 172503 24783 bravais-lattice index = 14 lattice parameter (alat) = 13.5512 a.u. unit-cell volume = 1786.3452 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.551225 celldm(2)= 1.000000 celldm(3)= 0.828894 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 0.828894 ) 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 1.206427 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ni 10.00 58.69340 Ni( 1.00) Cs 9.00 132.90550 Cs( 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 ) ( -0.4144471 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4144471 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4144471 ) 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 ) ( -0.4144471 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4144471 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4144471 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4144471 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4144471 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4144471 ) 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 ) ( 0.4144471 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4144471 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4144471 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0043103 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0043103 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0043103 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0043103 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0043103 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0043103 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0043103 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0043103 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0043103 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0043103 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0043103 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0043103 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0043103 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0043103 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0043103 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0043103 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0043103 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0043103 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0043103 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0043103 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0043103 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0043103 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0043103 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0043103 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0043103 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0043103 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0043103 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0043103 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0043103 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0043103 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0043103 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0043103 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0043103 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0043103 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0043103 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0043103 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0043103 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0043103 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0043103 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0043103 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0043103 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0043103 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0043103 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0043103 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0043103 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0043103 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0043103 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0043103 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0043103 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0043103 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0043103 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0043103 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0043103 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0043103 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0043103 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0043103 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0043103 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0043103 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0043103 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0043103 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0043103 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0043103 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0043103 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0043103 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0043103 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0043103 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0043103 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 76) = ( 0.0000000 0.0000000 0.0223412), wk = 0.0043103 k( 77) = ( 0.0000000 0.0000000 0.0446825), wk = 0.0043103 k( 78) = ( 0.0000000 0.0000000 0.0670237), wk = 0.0043103 k( 79) = ( 0.0000000 0.0000000 0.0893649), wk = 0.0043103 k( 80) = ( 0.0000000 0.0000000 0.1117062), wk = 0.0043103 k( 81) = ( 0.0000000 0.0000000 0.1340474), wk = 0.0043103 k( 82) = ( 0.0000000 0.0000000 0.1563886), wk = 0.0043103 k( 83) = ( 0.0000000 0.0000000 0.1787299), wk = 0.0043103 k( 84) = ( 0.0000000 0.0000000 0.2010711), wk = 0.0043103 k( 85) = ( 0.0000000 0.0000000 0.2234123), wk = 0.0043103 k( 86) = ( 0.0000000 0.0000000 0.2457536), wk = 0.0043103 k( 87) = ( 0.0000000 0.0000000 0.2680948), wk = 0.0043103 k( 88) = ( 0.0000000 0.0000000 0.2904360), wk = 0.0043103 k( 89) = ( 0.0000000 0.0000000 0.3127773), wk = 0.0043103 k( 90) = ( 0.0000000 0.0000000 0.3351185), wk = 0.0043103 k( 91) = ( 0.0000000 0.0000000 0.3574598), wk = 0.0043103 k( 92) = ( 0.0000000 0.0000000 0.3798010), wk = 0.0043103 k( 93) = ( 0.0000000 0.0000000 0.4021422), wk = 0.0043103 k( 94) = ( 0.0000000 0.0000000 0.4244834), wk = 0.0043103 k( 95) = ( 0.0000000 0.0000000 0.4468247), wk = 0.0043103 k( 96) = ( 0.0000000 0.0000000 0.4691659), wk = 0.0043103 k( 97) = ( 0.0000000 0.0000000 0.4915072), wk = 0.0043103 k( 98) = ( 0.0000000 0.0000000 0.5138484), wk = 0.0043103 k( 99) = ( 0.0000000 0.0000000 0.5361896), wk = 0.0043103 k( 100) = ( 0.0000000 0.0000000 0.5585309), wk = 0.0043103 k( 101) = ( 0.0000000 0.0000000 0.5808721), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.6032133), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.6032133), wk = 0.0043103 k( 104) = ( 0.0192308 0.0111029 0.6032133), wk = 0.0043103 k( 105) = ( 0.0384615 0.0222058 0.6032133), wk = 0.0043103 k( 106) = ( 0.0576923 0.0333087 0.6032133), wk = 0.0043103 k( 107) = ( 0.0769231 0.0444116 0.6032133), wk = 0.0043103 k( 108) = ( 0.0961538 0.0555145 0.6032133), wk = 0.0043103 k( 109) = ( 0.1153846 0.0666173 0.6032133), wk = 0.0043103 k( 110) = ( 0.1346154 0.0777202 0.6032133), wk = 0.0043103 k( 111) = ( 0.1538461 0.0888231 0.6032133), wk = 0.0043103 k( 112) = ( 0.1730769 0.0999260 0.6032133), wk = 0.0043103 k( 113) = ( 0.1923077 0.1110289 0.6032133), wk = 0.0043103 k( 114) = ( 0.2115385 0.1221318 0.6032133), wk = 0.0043103 k( 115) = ( 0.2307692 0.1332347 0.6032133), wk = 0.0043103 k( 116) = ( 0.2500000 0.1443376 0.6032133), wk = 0.0043103 k( 117) = ( 0.2692308 0.1554405 0.6032133), wk = 0.0043103 k( 118) = ( 0.2884615 0.1665433 0.6032133), wk = 0.0043103 k( 119) = ( 0.3076923 0.1776462 0.6032133), wk = 0.0043103 k( 120) = ( 0.3269231 0.1887491 0.6032133), wk = 0.0043103 k( 121) = ( 0.3461538 0.1998520 0.6032133), wk = 0.0043103 k( 122) = ( 0.3653846 0.2109549 0.6032133), wk = 0.0043103 k( 123) = ( 0.3846154 0.2220578 0.6032133), wk = 0.0043103 k( 124) = ( 0.4038462 0.2331607 0.6032133), wk = 0.0043103 k( 125) = ( 0.4230769 0.2442636 0.6032133), wk = 0.0043103 k( 126) = ( 0.4423077 0.2553665 0.6032133), wk = 0.0043103 k( 127) = ( 0.4615385 0.2664694 0.6032133), wk = 0.0043103 k( 128) = ( 0.4807692 0.2775722 0.6032133), wk = 0.0043103 k( 129) = ( 0.5000000 0.2886751 0.6032133), wk = 0.0043103 k( 130) = ( 0.5000000 0.2886751 0.6032133), wk = 0.0043103 k( 131) = ( 0.4888889 0.3079201 0.6032133), wk = 0.0043103 k( 132) = ( 0.4777778 0.3271651 0.6032133), wk = 0.0043103 k( 133) = ( 0.4666667 0.3464102 0.6032133), wk = 0.0043103 k( 134) = ( 0.4555556 0.3656552 0.6032133), wk = 0.0043103 k( 135) = ( 0.4444444 0.3849002 0.6032133), wk = 0.0043103 k( 136) = ( 0.4333333 0.4041452 0.6032133), wk = 0.0043103 k( 137) = ( 0.4222222 0.4233902 0.6032133), wk = 0.0043103 k( 138) = ( 0.4111111 0.4426352 0.6032133), wk = 0.0043103 k( 139) = ( 0.4000000 0.4618802 0.6032133), wk = 0.0043103 k( 140) = ( 0.3888889 0.4811252 0.6032133), wk = 0.0043103 k( 141) = ( 0.3777778 0.5003702 0.6032133), wk = 0.0043103 k( 142) = ( 0.3666667 0.5196152 0.6032133), wk = 0.0043103 k( 143) = ( 0.3555556 0.5388603 0.6032133), wk = 0.0043103 k( 144) = ( 0.3444444 0.5581053 0.6032133), wk = 0.0043103 k( 145) = ( 0.3333333 0.5773503 0.6032133), wk = 0.0043103 k( 146) = ( 0.3333333 0.5773503 0.6032133), wk = 0.0043103 k( 147) = ( 0.3222222 0.5581053 0.6032133), wk = 0.0043103 k( 148) = ( 0.3111111 0.5388602 0.6032133), wk = 0.0043103 k( 149) = ( 0.3000000 0.5196152 0.6032133), wk = 0.0043103 k( 150) = ( 0.2888889 0.5003702 0.6032133), wk = 0.0043103 k( 151) = ( 0.2777778 0.4811252 0.6032133), wk = 0.0043103 k( 152) = ( 0.2666667 0.4618802 0.6032133), wk = 0.0043103 k( 153) = ( 0.2555556 0.4426352 0.6032133), wk = 0.0043103 k( 154) = ( 0.2444444 0.4233902 0.6032133), wk = 0.0043103 k( 155) = ( 0.2333333 0.4041452 0.6032133), wk = 0.0043103 k( 156) = ( 0.2222222 0.3849002 0.6032133), wk = 0.0043103 k( 157) = ( 0.2111111 0.3656552 0.6032133), wk = 0.0043103 k( 158) = ( 0.2000000 0.3464102 0.6032133), wk = 0.0043103 k( 159) = ( 0.1888889 0.3271652 0.6032133), wk = 0.0043103 k( 160) = ( 0.1777778 0.3079201 0.6032133), wk = 0.0043103 k( 161) = ( 0.1666667 0.2886751 0.6032133), wk = 0.0043103 k( 162) = ( 0.1555556 0.2694301 0.6032133), wk = 0.0043103 k( 163) = ( 0.1444444 0.2501851 0.6032133), wk = 0.0043103 k( 164) = ( 0.1333333 0.2309401 0.6032133), wk = 0.0043103 k( 165) = ( 0.1222222 0.2116951 0.6032133), wk = 0.0043103 k( 166) = ( 0.1111111 0.1924501 0.6032133), wk = 0.0043103 k( 167) = ( 0.1000000 0.1732051 0.6032133), wk = 0.0043103 k( 168) = ( 0.0888889 0.1539601 0.6032133), wk = 0.0043103 k( 169) = ( 0.0777778 0.1347151 0.6032133), wk = 0.0043103 k( 170) = ( 0.0666667 0.1154701 0.6032133), wk = 0.0043103 k( 171) = ( 0.0555556 0.0962251 0.6032133), wk = 0.0043103 k( 172) = ( 0.0444444 0.0769800 0.6032133), wk = 0.0043103 k( 173) = ( 0.0333333 0.0577350 0.6032133), wk = 0.0043103 k( 174) = ( 0.0222222 0.0384900 0.6032133), wk = 0.0043103 k( 175) = ( 0.0111111 0.0192450 0.6032133), wk = 0.0043103 k( 176) = ( 0.0000000 0.0000000 0.6032133), wk = 0.0043103 k( 177) = ( 0.5000000 0.2886751 0.6032133), wk = 0.0043103 k( 178) = ( 0.5000000 0.2886751 0.5808721), wk = 0.0043103 k( 179) = ( 0.5000000 0.2886751 0.5585309), wk = 0.0043103 k( 180) = ( 0.5000000 0.2886751 0.5361896), wk = 0.0043103 k( 181) = ( 0.5000000 0.2886751 0.5138484), wk = 0.0043103 k( 182) = ( 0.5000000 0.2886751 0.4915072), wk = 0.0043103 k( 183) = ( 0.5000000 0.2886751 0.4691659), wk = 0.0043103 k( 184) = ( 0.5000000 0.2886751 0.4468247), wk = 0.0043103 k( 185) = ( 0.5000000 0.2886751 0.4244834), wk = 0.0043103 k( 186) = ( 0.5000000 0.2886751 0.4021422), wk = 0.0043103 k( 187) = ( 0.5000000 0.2886751 0.3798010), wk = 0.0043103 k( 188) = ( 0.5000000 0.2886751 0.3574598), wk = 0.0043103 k( 189) = ( 0.5000000 0.2886751 0.3351185), wk = 0.0043103 k( 190) = ( 0.5000000 0.2886751 0.3127773), wk = 0.0043103 k( 191) = ( 0.5000000 0.2886751 0.2904360), wk = 0.0043103 k( 192) = ( 0.5000000 0.2886751 0.2680948), wk = 0.0043103 k( 193) = ( 0.5000000 0.2886751 0.2457536), wk = 0.0043103 k( 194) = ( 0.5000000 0.2886751 0.2234123), wk = 0.0043103 k( 195) = ( 0.5000000 0.2886751 0.2010711), wk = 0.0043103 k( 196) = ( 0.5000000 0.2886751 0.1787299), wk = 0.0043103 k( 197) = ( 0.5000000 0.2886751 0.1563886), wk = 0.0043103 k( 198) = ( 0.5000000 0.2886751 0.1340474), wk = 0.0043103 k( 199) = ( 0.5000000 0.2886751 0.1117062), wk = 0.0043103 k( 200) = ( 0.5000000 0.2886751 0.0893649), wk = 0.0043103 k( 201) = ( 0.5000000 0.2886751 0.0670237), wk = 0.0043103 k( 202) = ( 0.5000000 0.2886751 0.0446825), wk = 0.0043103 k( 203) = ( 0.5000000 0.2886751 0.0223412), wk = 0.0043103 k( 204) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043103 k( 205) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043103 k( 206) = ( 0.3333333 0.5773503 0.0223412), wk = 0.0043103 k( 207) = ( 0.3333333 0.5773503 0.0446825), wk = 0.0043103 k( 208) = ( 0.3333333 0.5773503 0.0670237), wk = 0.0043103 k( 209) = ( 0.3333333 0.5773503 0.0893649), wk = 0.0043103 k( 210) = ( 0.3333333 0.5773503 0.1117062), wk = 0.0043103 k( 211) = ( 0.3333333 0.5773503 0.1340474), wk = 0.0043103 k( 212) = ( 0.3333333 0.5773503 0.1563886), wk = 0.0043103 k( 213) = ( 0.3333333 0.5773503 0.1787299), wk = 0.0043103 k( 214) = ( 0.3333333 0.5773503 0.2010711), wk = 0.0043103 k( 215) = ( 0.3333333 0.5773503 0.2234123), wk = 0.0043103 k( 216) = ( 0.3333333 0.5773503 0.2457536), wk = 0.0043103 k( 217) = ( 0.3333333 0.5773503 0.2680948), wk = 0.0043103 k( 218) = ( 0.3333333 0.5773503 0.2904360), wk = 0.0043103 k( 219) = ( 0.3333333 0.5773503 0.3127773), wk = 0.0043103 k( 220) = ( 0.3333333 0.5773503 0.3351185), wk = 0.0043103 k( 221) = ( 0.3333333 0.5773503 0.3574598), wk = 0.0043103 k( 222) = ( 0.3333333 0.5773503 0.3798010), wk = 0.0043103 k( 223) = ( 0.3333333 0.5773503 0.4021422), wk = 0.0043103 k( 224) = ( 0.3333333 0.5773503 0.4244834), wk = 0.0043103 k( 225) = ( 0.3333333 0.5773503 0.4468247), wk = 0.0043103 k( 226) = ( 0.3333333 0.5773503 0.4691659), wk = 0.0043103 k( 227) = ( 0.3333333 0.5773503 0.4915072), wk = 0.0043103 k( 228) = ( 0.3333333 0.5773503 0.5138484), wk = 0.0043103 k( 229) = ( 0.3333333 0.5773503 0.5361896), wk = 0.0043103 k( 230) = ( 0.3333333 0.5773503 0.5585309), wk = 0.0043103 k( 231) = ( 0.3333333 0.5773503 0.5808721), wk = 0.0043103 k( 232) = ( 0.3333333 0.5773503 0.6032133), wk = 0.0043103 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 2) = ( 0.0192308 0.0000000 -0.0000000), wk = 0.0043103 k( 3) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0043103 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0043103 k( 5) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0043103 k( 6) = ( 0.0961538 0.0000000 -0.0000000), wk = 0.0043103 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0043103 k( 8) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0043103 k( 9) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0043103 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0043103 k( 11) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0043103 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0043103 k( 13) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0043103 k( 14) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0043103 k( 15) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0043103 k( 16) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0043103 k( 17) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0043103 k( 18) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0043103 k( 19) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0043103 k( 20) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0043103 k( 21) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0043103 k( 22) = ( 0.4038462 0.0000000 -0.0000000), wk = 0.0043103 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0043103 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0043103 k( 25) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0043103 k( 26) = ( 0.4807692 0.0000000 -0.0000000), wk = 0.0043103 k( 27) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043103 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043103 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0043103 k( 30) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0043103 k( 31) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0043103 k( 32) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0043103 k( 33) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0043103 k( 34) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0043103 k( 35) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0043103 k( 36) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0043103 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0043103 k( 38) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0043103 k( 39) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0043103 k( 40) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0043103 k( 41) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0043103 k( 42) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0043103 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 44) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 45) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0043103 k( 46) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0043103 k( 47) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0043103 k( 48) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0043103 k( 49) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0043103 k( 50) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0043103 k( 51) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0043103 k( 52) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0043103 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0043103 k( 54) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0043103 k( 55) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0043103 k( 56) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0043103 k( 57) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0043103 k( 58) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0043103 k( 59) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043103 k( 60) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0043103 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0043103 k( 62) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0043103 k( 63) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0043103 k( 64) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0043103 k( 65) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0043103 k( 66) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0043103 k( 67) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0043103 k( 68) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0043103 k( 69) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0043103 k( 70) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0043103 k( 71) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0043103 k( 72) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0043103 k( 73) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0043103 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 76) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0043103 k( 77) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0043103 k( 78) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0043103 k( 79) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0043103 k( 80) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0043103 k( 81) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0043103 k( 82) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0043103 k( 83) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0043103 k( 84) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043103 k( 85) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0043103 k( 86) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0043103 k( 87) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0043103 k( 88) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0043103 k( 89) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0043103 k( 90) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0043103 k( 91) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0043103 k( 92) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0043103 k( 93) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043103 k( 94) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0043103 k( 95) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0043103 k( 96) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0043103 k( 97) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0043103 k( 98) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0043103 k( 99) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0043103 k( 100) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0043103 k( 101) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0043103 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 104) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0043103 k( 105) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0043103 k( 106) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0043103 k( 107) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0043103 k( 108) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0043103 k( 109) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0043103 k( 110) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0043103 k( 111) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0043103 k( 112) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0043103 k( 113) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0043103 k( 114) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0043103 k( 115) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0043103 k( 116) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0043103 k( 117) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0043103 k( 118) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0043103 k( 119) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0043103 k( 120) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0043103 k( 121) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0043103 k( 122) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0043103 k( 123) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0043103 k( 124) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0043103 k( 125) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0043103 k( 126) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0043103 k( 127) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0043103 k( 128) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0043103 k( 129) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 130) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 131) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0043103 k( 132) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0043103 k( 133) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0043103 k( 134) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0043103 k( 135) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0043103 k( 136) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0043103 k( 137) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0043103 k( 138) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0043103 k( 139) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0043103 k( 140) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0043103 k( 141) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0043103 k( 142) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0043103 k( 143) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0043103 k( 144) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0043103 k( 145) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 k( 146) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 k( 147) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0043103 k( 148) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0043103 k( 149) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0043103 k( 150) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0043103 k( 151) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0043103 k( 152) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0043103 k( 153) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0043103 k( 154) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0043103 k( 155) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0043103 k( 156) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0043103 k( 157) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0043103 k( 158) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0043103 k( 159) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0043103 k( 160) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0043103 k( 161) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0043103 k( 162) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0043103 k( 163) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0043103 k( 164) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0043103 k( 165) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0043103 k( 166) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0043103 k( 167) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0043103 k( 168) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0043103 k( 169) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0043103 k( 170) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0043103 k( 171) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0043103 k( 172) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0043103 k( 173) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0043103 k( 174) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0043103 k( 175) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0043103 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043103 k( 178) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0043103 k( 179) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0043103 k( 180) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0043103 k( 181) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0043103 k( 182) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0043103 k( 183) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0043103 k( 184) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0043103 k( 185) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0043103 k( 186) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0043103 k( 187) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0043103 k( 188) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0043103 k( 189) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0043103 k( 190) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0043103 k( 191) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0043103 k( 192) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0043103 k( 193) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0043103 k( 194) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0043103 k( 195) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0043103 k( 196) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0043103 k( 197) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0043103 k( 198) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0043103 k( 199) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0043103 k( 200) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0043103 k( 201) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0043103 k( 202) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0043103 k( 203) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0043103 k( 204) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043103 k( 205) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043103 k( 206) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0043103 k( 207) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0043103 k( 208) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0043103 k( 209) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0043103 k( 210) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0043103 k( 211) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0043103 k( 212) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0043103 k( 213) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0043103 k( 214) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0043103 k( 215) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0043103 k( 216) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0043103 k( 217) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0043103 k( 218) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0043103 k( 219) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0043103 k( 220) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0043103 k( 221) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0043103 k( 222) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0043103 k( 223) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043103 k( 224) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0043103 k( 225) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0043103 k( 226) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0043103 k( 227) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0043103 k( 228) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0043103 k( 229) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0043103 k( 230) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0043103 k( 231) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0043103 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043103 Dense grid: 172503 G-vectors FFT dimensions: ( 80, 80, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.90 Mb ( 616, 96) NL pseudopotentials 1.86 Mb ( 308, 396) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2396) G-vector shells 0.01 Mb ( 1163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.61 Mb ( 616, 384) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 1.16 Mb ( 396, 2, 96) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CsNiCl3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 9.2 secs Computing kpt #: 3 total cpu time spent up to now is 12.6 secs Computing kpt #: 4 total cpu time spent up to now is 15.9 secs Computing kpt #: 5 total cpu time spent up to now is 19.3 secs Computing kpt #: 6 total cpu time spent up to now is 22.7 secs Computing kpt #: 7 total cpu time spent up to now is 26.0 secs Computing kpt #: 8 total cpu time spent up to now is 29.2 secs Computing kpt #: 9 total cpu time spent up to now is 33.3 secs Computing kpt #: 10 total cpu time spent up to now is 37.6 secs Computing kpt #: 11 total cpu time spent up to now is 41.7 secs Computing kpt #: 12 total cpu time spent up to now is 46.0 secs Computing kpt #: 13 total cpu time spent up to now is 49.4 secs Computing kpt #: 14 total cpu time spent up to now is 53.0 secs Computing kpt #: 15 total cpu time spent up to now is 56.2 secs Computing kpt #: 16 total cpu time spent up to now is 59.8 secs Computing kpt #: 17 total cpu time spent up to now is 63.1 secs Computing kpt #: 18 total cpu time spent up to now is 69.7 secs Computing kpt #: 19 total cpu time spent up to now is 72.8 secs Computing kpt #: 20 total cpu time spent up to now is 76.0 secs Computing kpt #: 21 total cpu time spent up to now is 79.2 secs Computing kpt #: 22 total cpu time spent up to now is 82.3 secs Computing kpt #: 23 total cpu time spent up to now is 85.4 secs Computing kpt #: 24 total cpu time spent up to now is 89.2 secs Computing kpt #: 25 total cpu time spent up to now is 92.4 secs Computing kpt #: 26 total cpu time spent up to now is 95.6 secs Computing kpt #: 27 total cpu time spent up to now is 98.9 secs Computing kpt #: 28 total cpu time spent up to now is 102.2 secs Computing kpt #: 29 total cpu time spent up to now is 105.5 secs Computing kpt #: 30 total cpu time spent up to now is 108.7 secs Computing kpt #: 31 total cpu time spent up to now is 112.1 secs Computing kpt #: 32 total cpu time spent up to now is 115.3 secs Computing kpt #: 33 total cpu time spent up to now is 118.5 secs Computing kpt #: 34 total cpu time spent up to now is 121.7 secs Computing kpt #: 35 total cpu time spent up to now is 124.9 secs Computing kpt #: 36 total cpu time spent up to now is 128.9 secs Computing kpt #: 37 total cpu time spent up to now is 132.5 secs Computing kpt #: 38 total cpu time spent up to now is 136.5 secs Computing kpt #: 39 total cpu time spent up to now is 141.4 secs Computing kpt #: 40 total cpu time spent up to now is 146.0 secs Computing kpt #: 41 total cpu time spent up to now is 151.1 secs Computing kpt #: 42 total cpu time spent up to now is 156.9 secs Computing kpt #: 43 total cpu time spent up to now is 162.7 secs Computing kpt #: 44 total cpu time spent up to now is 168.3 secs Computing kpt #: 45 total cpu time spent up to now is 173.3 secs Computing kpt #: 46 total cpu time spent up to now is 178.4 secs Computing kpt #: 47 total cpu time spent up to now is 183.3 secs Computing kpt #: 48 total cpu time spent up to now is 187.2 secs Computing kpt #: 49 total cpu time spent up to now is 191.4 secs Computing kpt #: 50 total cpu time spent up to now is 194.9 secs Computing kpt #: 51 total cpu time spent up to now is 198.5 secs Computing kpt #: 52 total cpu time spent up to now is 201.9 secs Computing kpt #: 53 total cpu time spent up to now is 205.5 secs Computing kpt #: 54 total cpu time spent up to now is 208.9 secs Computing kpt #: 55 total cpu time spent up to now is 212.4 secs Computing kpt #: 56 total cpu time spent up to now is 215.8 secs Computing kpt #: 57 total cpu time spent up to now is 219.0 secs Computing kpt #: 58 total cpu time spent up to now is 222.3 secs Computing kpt #: 59 total cpu time spent up to now is 225.5 secs Computing kpt #: 60 total cpu time spent up to now is 228.8 secs Computing kpt #: 61 total cpu time spent up to now is 232.0 secs Computing kpt #: 62 total cpu time spent up to now is 236.0 secs Computing kpt #: 63 total cpu time spent up to now is 239.9 secs Computing kpt #: 64 total cpu time spent up to now is 244.6 secs Computing kpt #: 65 total cpu time spent up to now is 247.9 secs Computing kpt #: 66 total cpu time spent up to now is 251.2 secs Computing kpt #: 67 total cpu time spent up to now is 254.4 secs Computing kpt #: 68 total cpu time spent up to now is 257.8 secs Computing kpt #: 69 total cpu time spent up to now is 261.1 secs Computing kpt #: 70 total cpu time spent up to now is 264.4 secs Computing kpt #: 71 total cpu time spent up to now is 267.9 secs Computing kpt #: 72 total cpu time spent up to now is 271.2 secs Computing kpt #: 73 total cpu time spent up to now is 274.4 secs Computing kpt #: 74 total cpu time spent up to now is 277.6 secs Computing kpt #: 75 total cpu time spent up to now is 280.8 secs Computing kpt #: 76 total cpu time spent up to now is 283.9 secs Computing kpt #: 77 total cpu time spent up to now is 287.1 secs Computing kpt #: 78 total cpu time spent up to now is 290.3 secs Computing kpt #: 79 total cpu time spent up to now is 293.5 secs Computing kpt #: 80 total cpu time spent up to now is 296.8 secs Computing kpt #: 81 total cpu time spent up to now is 300.7 secs Computing kpt #: 82 total cpu time spent up to now is 304.3 secs Computing kpt #: 83 total cpu time spent up to now is 307.5 secs Computing kpt #: 84 total cpu time spent up to now is 310.7 secs Computing kpt #: 85 total cpu time spent up to now is 313.9 secs Computing kpt #: 86 total cpu time spent up to now is 317.1 secs Computing kpt #: 87 total cpu time spent up to now is 320.3 secs Computing kpt #: 88 total cpu time spent up to now is 323.6 secs Computing kpt #: 89 total cpu time spent up to now is 326.8 secs Computing kpt #: 90 total cpu time spent up to now is 330.1 secs Computing kpt #: 91 total cpu time spent up to now is 333.3 secs Computing kpt #: 92 total cpu time spent up to now is 336.6 secs Computing kpt #: 93 total cpu time spent up to now is 339.8 secs Computing kpt #: 94 total cpu time spent up to now is 342.9 secs Computing kpt #: 95 total cpu time spent up to now is 346.1 secs Computing kpt #: 96 total cpu time spent up to now is 349.4 secs Computing kpt #: 97 total cpu time spent up to now is 352.5 secs Computing kpt #: 98 total cpu time spent up to now is 355.7 secs Computing kpt #: 99 total cpu time spent up to now is 358.9 secs Computing kpt #: 100 total cpu time spent up to now is 362.1 secs Computing kpt #: 101 total cpu time spent up to now is 365.3 secs Computing kpt #: 102 total cpu time spent up to now is 368.5 secs Computing kpt #: 103 total cpu time spent up to now is 371.7 secs Computing kpt #: 104 total cpu time spent up to now is 374.9 secs Computing kpt #: 105 total cpu time spent up to now is 378.1 secs Computing kpt #: 106 total cpu time spent up to now is 381.1 secs Computing kpt #: 107 total cpu time spent up to now is 384.3 secs Computing kpt #: 108 total cpu time spent up to now is 387.8 secs Computing kpt #: 109 total cpu time spent up to now is 391.1 secs Computing kpt #: 110 total cpu time spent up to now is 394.4 secs Computing kpt #: 111 total cpu time spent up to now is 397.6 secs Computing kpt #: 112 total cpu time spent up to now is 400.9 secs Computing kpt #: 113 total cpu time spent up to now is 404.1 secs Computing kpt #: 114 total cpu time spent up to now is 407.3 secs Computing kpt #: 115 total cpu time spent up to now is 410.6 secs Computing kpt #: 116 total cpu time spent up to now is 413.9 secs Computing kpt #: 117 total cpu time spent up to now is 417.1 secs Computing kpt #: 118 total cpu time spent up to now is 420.2 secs Computing kpt #: 119 total cpu time spent up to now is 423.4 secs Computing kpt #: 120 total cpu time spent up to now is 426.7 secs Computing kpt #: 121 total cpu time spent up to now is 429.9 secs Computing kpt #: 122 total cpu time spent up to now is 433.1 secs Computing kpt #: 123 total cpu time spent up to now is 436.3 secs Computing kpt #: 124 total cpu time spent up to now is 439.6 secs Computing kpt #: 125 total cpu time spent up to now is 443.0 secs Computing kpt #: 126 total cpu time spent up to now is 446.5 secs Computing kpt #: 127 total cpu time spent up to now is 449.9 secs Computing kpt #: 128 total cpu time spent up to now is 453.7 secs Computing kpt #: 129 total cpu time spent up to now is 457.3 secs Computing kpt #: 130 total cpu time spent up to now is 460.9 secs Computing kpt #: 131 total cpu time spent up to now is 464.5 secs Computing kpt #: 132 total cpu time spent up to now is 468.0 secs Computing kpt #: 133 total cpu time spent up to now is 471.4 secs Computing kpt #: 134 total cpu time spent up to now is 474.9 secs Computing kpt #: 135 total cpu time spent up to now is 478.5 secs Computing kpt #: 136 total cpu time spent up to now is 482.0 secs Computing kpt #: 137 total cpu time spent up to now is 485.4 secs Computing kpt #: 138 total cpu time spent up to now is 489.0 secs Computing kpt #: 139 total cpu time spent up to now is 492.8 secs Computing kpt #: 140 total cpu time spent up to now is 496.9 secs Computing kpt #: 141 total cpu time spent up to now is 500.9 secs Computing kpt #: 142 total cpu time spent up to now is 505.5 secs Computing kpt #: 143 total cpu time spent up to now is 510.5 secs Computing kpt #: 144 total cpu time spent up to now is 516.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.9 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.3 secs Computing kpt #: 147 total cpu time spent up to now is 536.2 secs Computing kpt #: 148 total cpu time spent up to now is 539.9 secs Computing kpt #: 149 total cpu time spent up to now is 543.3 secs Computing kpt #: 150 total cpu time spent up to now is 546.7 secs Computing kpt #: 151 total cpu time spent up to now is 549.9 secs Computing kpt #: 152 total cpu time spent up to now is 553.1 secs Computing kpt #: 153 total cpu time spent up to now is 556.3 secs Computing kpt #: 154 total cpu time spent up to now is 559.5 secs Computing kpt #: 155 total cpu time spent up to now is 562.8 secs Computing kpt #: 156 total cpu time spent up to now is 566.0 secs Computing kpt #: 157 total cpu time spent up to now is 569.1 secs Computing kpt #: 158 total cpu time spent up to now is 572.3 secs Computing kpt #: 159 total cpu time spent up to now is 575.6 secs Computing kpt #: 160 total cpu time spent up to now is 578.7 secs Computing kpt #: 161 total cpu time spent up to now is 581.9 secs Computing kpt #: 162 total cpu time spent up to now is 585.1 secs Computing kpt #: 163 total cpu time spent up to now is 588.3 secs Computing kpt #: 164 total cpu time spent up to now is 591.5 secs Computing kpt #: 165 total cpu time spent up to now is 594.7 secs Computing kpt #: 166 total cpu time spent up to now is 597.9 secs Computing kpt #: 167 total cpu time spent up to now is 601.1 secs Computing kpt #: 168 total cpu time spent up to now is 604.2 secs Computing kpt #: 169 total cpu time spent up to now is 607.4 secs Computing kpt #: 170 total cpu time spent up to now is 610.7 secs Computing kpt #: 171 total cpu time spent up to now is 613.8 secs Computing kpt #: 172 total cpu time spent up to now is 616.9 secs Computing kpt #: 173 total cpu time spent up to now is 620.1 secs Computing kpt #: 174 total cpu time spent up to now is 623.4 secs Computing kpt #: 175 total cpu time spent up to now is 626.6 secs Computing kpt #: 176 total cpu time spent up to now is 629.8 secs Computing kpt #: 177 total cpu time spent up to now is 633.8 secs Computing kpt #: 178 total cpu time spent up to now is 637.4 secs Computing kpt #: 179 total cpu time spent up to now is 641.0 secs Computing kpt #: 180 total cpu time spent up to now is 644.5 secs Computing kpt #: 181 total cpu time spent up to now is 648.2 secs Computing kpt #: 182 total cpu time spent up to now is 651.7 secs Computing kpt #: 183 total cpu time spent up to now is 655.3 secs Computing kpt #: 184 total cpu time spent up to now is 658.7 secs Computing kpt #: 185 total cpu time spent up to now is 662.0 secs Computing kpt #: 186 total cpu time spent up to now is 665.2 secs Computing kpt #: 187 total cpu time spent up to now is 668.5 secs Computing kpt #: 188 total cpu time spent up to now is 671.7 secs Computing kpt #: 189 total cpu time spent up to now is 674.9 secs Computing kpt #: 190 total cpu time spent up to now is 678.2 secs Computing kpt #: 191 total cpu time spent up to now is 682.2 secs Computing kpt #: 192 total cpu time spent up to now is 685.5 secs Computing kpt #: 193 total cpu time spent up to now is 689.3 secs Computing kpt #: 194 total cpu time spent up to now is 692.5 secs Computing kpt #: 195 total cpu time spent up to now is 695.9 secs Computing kpt #: 196 total cpu time spent up to now is 699.1 secs Computing kpt #: 197 total cpu time spent up to now is 702.5 secs Computing kpt #: 198 total cpu time spent up to now is 705.7 secs Computing kpt #: 199 total cpu time spent up to now is 708.9 secs Computing kpt #: 200 total cpu time spent up to now is 712.1 secs Computing kpt #: 201 total cpu time spent up to now is 715.3 secs Computing kpt #: 202 total cpu time spent up to now is 718.4 secs Computing kpt #: 203 total cpu time spent up to now is 721.5 secs Computing kpt #: 204 total cpu time spent up to now is 724.8 secs Computing kpt #: 205 total cpu time spent up to now is 729.8 secs Computing kpt #: 206 total cpu time spent up to now is 735.7 secs Computing kpt #: 207 total cpu time spent up to now is 740.7 secs Computing kpt #: 208 total cpu time spent up to now is 746.8 secs Computing kpt #: 209 total cpu time spent up to now is 752.0 secs Computing kpt #: 210 total cpu time spent up to now is 758.7 secs Computing kpt #: 211 total cpu time spent up to now is 762.7 secs Computing kpt #: 212 total cpu time spent up to now is 766.9 secs Computing kpt #: 213 total cpu time spent up to now is 770.8 secs Computing kpt #: 214 total cpu time spent up to now is 774.7 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 781.7 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 788.7 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 796.1 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 803.3 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 810.5 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 817.4 secs Computing kpt #: 221 total cpu time spent up to now is 823.2 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.4 secs Computing kpt #: 224 total cpu time spent up to now is 842.1 secs Computing kpt #: 225 total cpu time spent up to now is 846.1 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 853.0 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.3 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 867.3 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 874.5 secs Computing kpt #: 230 total cpu time spent up to now is 880.3 secs Computing kpt #: 231 total cpu time spent up to now is 887.1 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 894.4 secs ethr = 1.25E-08, avg # of iterations = 41.9 total cpu time spent up to now is 894.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21577 PWs) bands (ev): -14.4943 -14.4943 -14.4525 -14.4525 -10.6426 -10.6426 -10.0340 -10.0340 -9.9653 -9.9653 -9.9626 -9.9626 -9.7548 -9.7548 -9.7545 -9.7545 -3.4185 -3.4185 -3.2428 -3.2428 -2.1466 -2.1466 -2.1347 -2.1347 -1.8543 -1.8543 -1.8016 -1.8016 -0.8955 -0.8955 -0.0556 -0.0556 0.1333 0.1333 0.8922 0.8922 0.9513 0.9513 1.0959 1.0959 1.1001 1.1001 1.4007 1.4007 1.4025 1.4025 1.4185 1.4185 1.4190 1.4190 1.8277 1.8277 1.8927 1.8927 2.4411 2.4411 2.6941 2.6941 2.8734 2.8734 2.8879 2.8879 3.0896 3.0896 3.1191 3.1191 3.6276 3.6276 3.6528 3.6528 4.0084 4.0084 4.0364 4.0364 4.1445 4.1445 4.7522 4.7522 4.8170 4.8170 5.2511 5.2511 5.2770 5.2770 8.6633 8.6633 9.8752 9.8752 9.8957 9.8957 10.1769 10.1769 10.2249 10.2249 10.3419 10.3419 k = 0.0192 0.0111-0.0000 ( 21563 PWs) bands (ev): -14.4942 -14.4942 -14.4525 -14.4525 -10.6426 -10.6426 -10.0338 -10.0338 -9.9654 -9.9654 -9.9627 -9.9627 -9.7549 -9.7549 -9.7546 -9.7546 -3.4181 -3.4181 -3.2427 -3.2427 -2.1458 -2.1458 -2.1342 -2.1342 -1.8540 -1.8540 -1.8016 -1.8016 -0.8944 -0.8944 -0.0564 -0.0564 0.1341 0.1341 0.8917 0.8917 0.9507 0.9507 1.0961 1.0961 1.1003 1.1003 1.4002 1.4002 1.4026 1.4026 1.4177 1.4177 1.4197 1.4197 1.8269 1.8269 1.8918 1.8918 2.4401 2.4401 2.6931 2.6931 2.8726 2.8726 2.8860 2.8860 3.0889 3.0889 3.1197 3.1197 3.6276 3.6276 3.6529 3.6529 4.0084 4.0084 4.0364 4.0364 4.1446 4.1446 4.7524 4.7524 4.8172 4.8172 5.2504 5.2504 5.2763 5.2763 8.6671 8.6671 9.8787 9.8787 9.8952 9.8952 10.1795 10.1795 10.2275 10.2275 10.3426 10.3426 k = 0.0385 0.0222-0.0000 ( 21559 PWs) bands (ev): -14.4941 -14.4941 -14.4525 -14.4525 -10.6426 -10.6426 -10.0334 -10.0334 -9.9658 -9.9658 -9.9631 -9.9631 -9.7553 -9.7553 -9.7545 -9.7545 -3.4169 -3.4169 -3.2425 -3.2425 -2.1433 -2.1433 -2.1325 -2.1325 -1.8534 -1.8534 -1.8018 -1.8018 -0.8910 -0.8910 -0.0590 -0.0590 0.1364 0.1364 0.8902 0.8902 0.9488 0.9488 1.0963 1.0963 1.1012 1.1012 1.3984 1.3984 1.4031 1.4031 1.4165 1.4165 1.4209 1.4209 1.8245 1.8245 1.8891 1.8891 2.4371 2.4371 2.6901 2.6901 2.8698 2.8698 2.8811 2.8811 3.0869 3.0869 3.1214 3.1214 3.6277 3.6277 3.6530 3.6530 4.0083 4.0083 4.0366 4.0366 4.1447 4.1447 4.7529 4.7529 4.8177 4.8177 5.2480 5.2480 5.2744 5.2744 8.6783 8.6783 9.8892 9.8892 9.8936 9.8936 10.1869 10.1869 10.2358 10.2358 10.3448 10.3448 k = 0.0577 0.0333-0.0000 ( 21553 PWs) bands (ev): -14.4939 -14.4939 -14.4527 -14.4527 -10.6425 -10.6425 -10.0327 -10.0327 -9.9665 -9.9665 -9.9635 -9.9635 -9.7562 -9.7562 -9.7544 -9.7544 -3.4150 -3.4150 -3.2422 -3.2422 -2.1394 -2.1394 -2.1296 -2.1296 -1.8522 -1.8522 -1.8022 -1.8022 -0.8853 -0.8853 -0.0633 -0.0633 0.1403 0.1403 0.8875 0.8875 0.9459 0.9459 1.0960 1.0960 1.1034 1.1034 1.3947 1.3947 1.4039 1.4039 1.4155 1.4155 1.4225 1.4225 1.8203 1.8203 1.8848 1.8848 2.4323 2.4323 2.6848 2.6848 2.8626 2.8626 2.8762 2.8762 3.0834 3.0834 3.1241 3.1241 3.6277 3.6277 3.6532 3.6532 4.0080 4.0080 4.0368 4.0368 4.1449 4.1449 4.7538 4.7538 4.8185 4.8185 5.2437 5.2437 5.2718 5.2718 8.6969 8.6969 9.8904 9.8904 9.9068 9.9068 10.1985 10.1985 10.2500 10.2500 10.3482 10.3482 k = 0.0769 0.0444-0.0000 ( 21553 PWs) bands (ev): -14.4935 -14.4935 -14.4528 -14.4528 -10.6424 -10.6424 -10.0317 -10.0317 -9.9676 -9.9676 -9.9641 -9.9641 -9.7573 -9.7573 -9.7543 -9.7543 -3.4122 -3.4122 -3.2418 -3.2418 -2.1343 -2.1343 -2.1253 -2.1253 -1.8507 -1.8507 -1.8027 -1.8027 -0.8775 -0.8775 -0.0691 -0.0691 0.1457 0.1457 0.8836 0.8836 0.9420 0.9420 1.0952 1.0952 1.1068 1.1068 1.3886 1.3886 1.4050 1.4050 1.4153 1.4153 1.4247 1.4247 1.8142 1.8142 1.8793 1.8793 2.4256 2.4256 2.6768 2.6768 2.8505 2.8505 2.8728 2.8728 3.0786 3.0786 3.1276 3.1276 3.6277 3.6277 3.6534 3.6534 4.0076 4.0076 4.0373 4.0373 4.1451 4.1451 4.7551 4.7551 4.8197 4.8197 5.2368 5.2368 5.2692 5.2692 8.7226 8.7226 9.8859 9.8859 9.9309 9.9309 10.2130 10.2130 10.2709 10.2709 10.3523 10.3523 k = 0.0962 0.0555-0.0000 ( 21547 PWs) bands (ev): -14.4931 -14.4931 -14.4530 -14.4530 -10.6423 -10.6423 -10.0305 -10.0305 -9.9690 -9.9690 -9.9647 -9.9647 -9.7588 -9.7588 -9.7541 -9.7541 -3.4088 -3.4088 -3.2413 -3.2413 -2.1285 -2.1285 -2.1191 -2.1191 -1.8488 -1.8488 -1.8033 -1.8033 -0.8676 -0.8676 -0.0765 -0.0765 0.1525 0.1525 0.8785 0.8785 0.9374 0.9374 1.0940 1.0940 1.1111 1.1111 1.3803 1.3803 1.4064 1.4064 1.4159 1.4159 1.4273 1.4273 1.8058 1.8058 1.8727 1.8727 2.4174 2.4174 2.6655 2.6655 2.8356 2.8356 2.8697 2.8697 3.0724 3.0724 3.1315 3.1315 3.6278 3.6278 3.6538 3.6538 4.0068 4.0068 4.0380 4.0380 4.1455 4.1455 4.7567 4.7567 4.8212 4.8212 5.2271 5.2271 5.2670 5.2670 8.7553 8.7553 9.8798 9.8798 9.9611 9.9611 10.2297 10.2297 10.2990 10.2990 10.3567 10.3567 k = 0.1154 0.0666-0.0000 ( 21539 PWs) bands (ev): -14.4926 -14.4926 -14.4533 -14.4533 -10.6421 -10.6421 -10.0290 -10.0290 -9.9708 -9.9708 -9.9652 -9.9652 -9.7606 -9.7606 -9.7538 -9.7538 -3.4047 -3.4047 -3.2408 -3.2408 -2.1224 -2.1224 -2.1109 -2.1109 -1.8465 -1.8465 -1.8041 -1.8041 -0.8557 -0.8557 -0.0852 -0.0852 0.1608 0.1608 0.8718 0.8718 0.9323 0.9323 1.0924 1.0924 1.1162 1.1162 1.3699 1.3699 1.4082 1.4082 1.4170 1.4170 1.4304 1.4304 1.7949 1.7949 1.8657 1.8657 2.4077 2.4077 2.6505 2.6505 2.8198 2.8198 2.8665 2.8665 3.0649 3.0649 3.1356 3.1356 3.6279 3.6279 3.6541 3.6541 4.0058 4.0058 4.0390 4.0390 4.1459 4.1459 4.7586 4.7586 4.8229 4.8229 5.2149 5.2149 5.2652 5.2652 8.7947 8.7947 9.8717 9.8717 9.9969 9.9969 10.2480 10.2480 10.3338 10.3338 10.3610 10.3610 k = 0.1346 0.0777-0.0000 ( 21557 PWs) bands (ev): -14.4920 -14.4920 -14.4535 -14.4535 -10.6419 -10.6419 -10.0273 -10.0273 -9.9729 -9.9729 -9.9659 -9.9659 -9.7627 -9.7627 -9.7535 -9.7535 -3.3999 -3.3999 -3.2402 -3.2402 -2.1158 -2.1158 -2.1006 -2.1006 -1.8440 -1.8440 -1.8050 -1.8050 -0.8419 -0.8419 -0.0952 -0.0952 0.1704 0.1704 0.8635 0.8635 0.9270 0.9270 1.0906 1.0906 1.1218 1.1218 1.3579 1.3579 1.4102 1.4102 1.4187 1.4187 1.4340 1.4340 1.7813 1.7813 1.8583 1.8583 2.3968 2.3968 2.6310 2.6310 2.8043 2.8043 2.8632 2.8632 3.0562 3.0562 3.1398 3.1398 3.6280 3.6280 3.6546 3.6546 4.0043 4.0043 4.0402 4.0402 4.1465 4.1465 4.7608 4.7608 4.8249 4.8249 5.2006 5.2006 5.2637 5.2637 8.8404 8.8404 9.8618 9.8618 10.0376 10.0376 10.2679 10.2679 10.3630 10.3630 10.3769 10.3769 k = 0.1538 0.0888-0.0000 ( 21553 PWs) bands (ev): -14.4914 -14.4914 -14.4539 -14.4539 -10.6417 -10.6417 -10.0255 -10.0255 -9.9751 -9.9751 -9.9665 -9.9665 -9.7651 -9.7651 -9.7532 -9.7532 -3.3945 -3.3945 -3.2395 -3.2395 -2.1088 -2.1088 -2.0887 -2.0887 -1.8412 -1.8412 -1.8060 -1.8060 -0.8264 -0.8264 -0.1062 -0.1062 0.1812 0.1812 0.8534 0.8534 0.9218 0.9218 1.0886 1.0886 1.1279 1.1279 1.3447 1.3447 1.4124 1.4124 1.4208 1.4208 1.4378 1.4378 1.7650 1.7650 1.8509 1.8509 2.3849 2.3849 2.6069 2.6069 2.7900 2.7900 2.8597 2.8597 3.0465 3.0465 3.1440 3.1440 3.6281 3.6281 3.6550 3.6550 4.0026 4.0026 4.0416 4.0416 4.1472 4.1472 4.7632 4.7632 4.8271 4.8271 5.1844 5.1844 5.2623 5.2623 8.8919 8.8919 9.8499 9.8499 10.0821 10.0821 10.2896 10.2896 10.3675 10.3675 10.4223 10.4223 k = 0.1731 0.0999-0.0000 ( 21563 PWs) bands (ev): -14.4906 -14.4906 -14.4542 -14.4542 -10.6415 -10.6415 -10.0237 -10.0237 -9.9774 -9.9774 -9.9672 -9.9672 -9.7678 -9.7678 -9.7529 -9.7529 -3.3887 -3.3887 -3.2389 -3.2389 -2.1013 -2.1013 -2.0753 -2.0753 -1.8383 -1.8383 -1.8070 -1.8070 -0.8093 -0.8093 -0.1180 -0.1180 0.1933 0.1933 0.8416 0.8416 0.9167 0.9167 1.0865 1.0865 1.1342 1.1342 1.3305 1.3305 1.4147 1.4147 1.4234 1.4234 1.4420 1.4420 1.7463 1.7463 1.8434 1.8434 2.3723 2.3723 2.5784 2.5784 2.7771 2.7771 2.8560 2.8560 3.0359 3.0359 3.1480 3.1480 3.6281 3.6281 3.6555 3.6555 4.0005 4.0005 4.0432 4.0432 4.1479 4.1479 4.7658 4.7658 4.8295 4.8295 5.1669 5.1669 5.2612 5.2612 8.9490 8.9490 9.8363 9.8363 10.1293 10.1293 10.3131 10.3131 10.3721 10.3721 10.4698 10.4698 k = 0.1923 0.1110-0.0000 ( 21545 PWs) bands (ev): -14.4898 -14.4898 -14.4547 -14.4547 -10.6412 -10.6412 -10.0218 -10.0218 -9.9797 -9.9797 -9.9679 -9.9679 -9.7707 -9.7707 -9.7526 -9.7526 -3.3823 -3.3823 -3.2383 -3.2383 -2.0931 -2.0931 -2.0607 -2.0607 -1.8354 -1.8354 -1.8081 -1.8081 -0.7909 -0.7909 -0.1306 -0.1306 0.2065 0.2065 0.8282 0.8282 0.9119 0.9119 1.0842 1.0842 1.1407 1.1407 1.3158 1.3158 1.4171 1.4171 1.4263 1.4263 1.4463 1.4463 1.7253 1.7253 1.8358 1.8358 2.3592 2.3592 2.5462 2.5462 2.7658 2.7658 2.8524 2.8524 3.0245 3.0245 3.1518 3.1518 3.6282 3.6282 3.6560 3.6560 3.9981 3.9981 4.0449 4.0449 4.1488 4.1488 4.7686 4.7686 4.8321 4.8321 5.1483 5.1483 5.2601 5.2601 9.0112 9.0112 9.8212 9.8212 10.1775 10.1775 10.3372 10.3372 10.3799 10.3799 10.5146 10.5146 k = 0.2115 0.1221-0.0000 ( 21559 PWs) bands (ev): -14.4890 -14.4890 -14.4551 -14.4551 -10.6410 -10.6410 -10.0200 -10.0200 -9.9817 -9.9817 -9.9687 -9.9687 -9.7738 -9.7738 -9.7522 -9.7522 -3.3756 -3.3756 -3.2378 -3.2378 -2.0845 -2.0845 -2.0450 -2.0450 -1.8327 -1.8327 -1.8090 -1.8090 -0.7714 -0.7714 -0.1437 -0.1437 0.2207 0.2207 0.8131 0.8131 0.9074 0.9074 1.0818 1.0818 1.1470 1.1470 1.3010 1.3010 1.4195 1.4195 1.4297 1.4297 1.4507 1.4507 1.7023 1.7023 1.8281 1.8281 2.3459 2.3459 2.5109 2.5109 2.7559 2.7559 2.8488 2.8488 3.0125 3.0125 3.1554 3.1554 3.6283 3.6283 3.6566 3.6566 3.9956 3.9956 4.0466 4.0466 4.1498 4.1498 4.7715 4.7715 4.8348 4.8348 5.1291 5.1291 5.2591 5.2591 9.0779 9.0779 9.8048 9.8048 10.2245 10.2245 10.3557 10.3557 10.3983 10.3983 10.5587 10.5587 k = 0.2308 0.1332-0.0000 ( 21559 PWs) bands (ev): -14.4880 -14.4880 -14.4556 -14.4556 -10.6407 -10.6407 -10.0185 -10.0185 -9.9834 -9.9834 -9.9695 -9.9695 -9.7772 -9.7772 -9.7518 -9.7518 -3.3686 -3.3686 -3.2373 -3.2373 -2.0753 -2.0753 -2.0286 -2.0286 -1.8306 -1.8306 -1.8096 -1.8096 -0.7509 -0.7509 -0.1571 -0.1571 0.2358 0.2358 0.7966 0.7966 0.9031 0.9031 1.0793 1.0793 1.1530 1.1530 1.2866 1.2866 1.4217 1.4217 1.4335 1.4335 1.4552 1.4552 1.6778 1.6778 1.8203 1.8203 2.3326 2.3326 2.4735 2.4735 2.7469 2.7469 2.8454 2.8454 3.0001 3.0001 3.1588 3.1588 3.6284 3.6284 3.6571 3.6571 3.9930 3.9930 4.0483 4.0483 4.1508 4.1508 4.7745 4.7745 4.8375 4.8375 5.1095 5.1095 5.2581 5.2581 9.1486 9.1486 9.7877 9.7877 10.2685 10.2685 10.3646 10.3646 10.4324 10.4324 10.6056 10.6056 k = 0.2500 0.1443-0.0000 ( 21547 PWs) bands (ev): -14.4871 -14.4871 -14.4562 -14.4562 -10.6404 -10.6404 -10.0175 -10.0175 -9.9845 -9.9845 -9.9702 -9.9702 -9.7808 -9.7808 -9.7515 -9.7515 -3.3614 -3.3614 -3.2370 -3.2370 -2.0657 -2.0657 -2.0114 -2.0114 -1.8293 -1.8293 -1.8096 -1.8096 -0.7298 -0.7298 -0.1707 -0.1707 0.2517 0.2517 0.7789 0.7789 0.8990 0.8990 1.0769 1.0769 1.1584 1.1584 1.2730 1.2730 1.4239 1.4239 1.4376 1.4376 1.4596 1.4596 1.6519 1.6519 1.8122 1.8122 2.3195 2.3195 2.4349 2.4349 2.7387 2.7387 2.8421 2.8421 2.9874 2.9874 3.1619 3.1619 3.6285 3.6285 3.6576 3.6576 3.9903 3.9903 4.0499 4.0499 4.1519 4.1519 4.7774 4.7774 4.8403 4.8403 5.0898 5.0898 5.2573 5.2573 9.2230 9.2230 9.7700 9.7700 10.3079 10.3079 10.3695 10.3695 10.4769 10.4769 10.6564 10.6564 k = 0.2692 0.1554-0.0000 ( 21575 PWs) bands (ev): -14.4861 -14.4861 -14.4567 -14.4567 -10.6401 -10.6401 -10.0171 -10.0171 -9.9848 -9.9848 -9.9710 -9.9710 -9.7844 -9.7844 -9.7511 -9.7511 -3.3540 -3.3540 -3.2369 -3.2369 -2.0558 -2.0558 -1.9938 -1.9938 -1.8292 -1.8292 -1.8088 -1.8088 -0.7083 -0.7083 -0.1841 -0.1841 0.2683 0.2683 0.7602 0.7602 0.8952 0.8952 1.0744 1.0744 1.1630 1.1630 1.2607 1.2607 1.4260 1.4260 1.4419 1.4419 1.4640 1.4640 1.6250 1.6250 1.8040 1.8040 2.3069 2.3069 2.3958 2.3958 2.7312 2.7312 2.8390 2.8390 2.9746 2.9746 3.1648 3.1648 3.6286 3.6286 3.6582 3.6582 3.9876 3.9876 4.0514 4.0514 4.1531 4.1531 4.7804 4.7804 4.8430 4.8430 5.0704 5.0704 5.2565 5.2565 9.3004 9.3004 9.7522 9.7522 10.3424 10.3424 10.3735 10.3735 10.5275 10.5275 10.7112 10.7112 k = 0.2885 0.1665-0.0000 ( 21565 PWs) bands (ev): -14.4851 -14.4851 -14.4573 -14.4573 -10.6398 -10.6398 -10.0174 -10.0174 -9.9843 -9.9843 -9.9717 -9.9717 -9.7882 -9.7882 -9.7507 -9.7507 -3.3465 -3.3465 -3.2369 -3.2369 -2.0456 -2.0456 -1.9759 -1.9759 -1.8303 -1.8303 -1.8073 -1.8073 -0.6868 -0.6868 -0.1973 -0.1973 0.2855 0.2855 0.7405 0.7405 0.8916 0.8916 1.0721 1.0721 1.1662 1.1662 1.2505 1.2505 1.4280 1.4280 1.4465 1.4465 1.4682 1.4682 1.5975 1.5975 1.7958 1.7958 2.2949 2.2949 2.3570 2.3570 2.7243 2.7243 2.8362 2.8362 2.9620 2.9620 3.1674 3.1674 3.6287 3.6287 3.6587 3.6587 3.9850 3.9850 4.0528 4.0528 4.1542 4.1542 4.7833 4.7833 4.8457 4.8457 5.0516 5.0516 5.2558 5.2558 9.3802 9.3802 9.7346 9.7346 10.3675 10.3675 10.3826 10.3826 10.5811 10.5811 10.7701 10.7701 k = 0.3077 0.1776-0.0000 ( 21566 PWs) bands (ev): -14.4840 -14.4840 -14.4580 -14.4580 -10.6396 -10.6396 -10.0184 -10.0184 -9.9831 -9.9831 -9.9724 -9.9724 -9.7920 -9.7920 -9.7504 -9.7504 -3.3391 -3.3391 -3.2371 -3.2371 -2.0353 -2.0353 -1.9581 -1.9581 -1.8324 -1.8324 -1.8054 -1.8054 -0.6655 -0.6655 -0.2101 -0.2101 0.3031 0.3031 0.7202 0.7202 0.8882 0.8882 1.0698 1.0698 1.1679 1.1679 1.2429 1.2429 1.4299 1.4299 1.4511 1.4511 1.4721 1.4721 1.5696 1.5696 1.7875 1.7875 2.2834 2.2834 2.3193 2.3193 2.7178 2.7178 2.8336 2.8336 2.9496 2.9496 3.1697 3.1697 3.6288 3.6288 3.6592 3.6592 3.9825 3.9825 4.0540 4.0540 4.1554 4.1554 4.7861 4.7861 4.8483 4.8483 5.0335 5.0335 5.2552 5.2552 9.4620 9.4620 9.7175 9.7175 10.3744 10.3744 10.4062 10.4062 10.6346 10.6346 10.8326 10.8326 k = 0.3269 0.1887-0.0000 ( 21540 PWs) bands (ev): -14.4830 -14.4830 -14.4586 -14.4586 -10.6393 -10.6393 -10.0197 -10.0197 -9.9813 -9.9813 -9.9731 -9.9731 -9.7958 -9.7958 -9.7500 -9.7500 -3.3317 -3.3317 -3.2376 -3.2376 -2.0250 -2.0250 -1.9404 -1.9404 -1.8351 -1.8351 -1.8036 -1.8036 -0.6449 -0.6449 -0.2222 -0.2222 0.3211 0.3211 0.6994 0.6994 0.8850 0.8850 1.0677 1.0677 1.1680 1.1680 1.2380 1.2380 1.4316 1.4316 1.4557 1.4557 1.4758 1.4758 1.5419 1.5419 1.7794 1.7794 2.2711 2.2711 2.2848 2.2848 2.7119 2.7119 2.8313 2.8313 2.9377 2.9377 3.1719 3.1719 3.6289 3.6289 3.6596 3.6596 3.9801 3.9801 4.0551 4.0551 4.1565 4.1565 4.7888 4.7888 4.8508 4.8508 5.0164 5.0164 5.2547 5.2547 9.5452 9.5452 9.7012 9.7012 10.3772 10.3772 10.4303 10.4303 10.6853 10.6853 10.8965 10.8965 k = 0.3462 0.1999-0.0000 ( 21528 PWs) bands (ev): -14.4819 -14.4819 -14.4593 -14.4593 -10.6391 -10.6391 -10.0214 -10.0214 -9.9791 -9.9791 -9.9737 -9.9737 -9.7995 -9.7995 -9.7497 -9.7497 -3.3245 -3.3245 -3.2383 -3.2383 -2.0148 -2.0148 -1.9232 -1.9232 -1.8383 -1.8383 -1.8020 -1.8020 -0.6252 -0.6252 -0.2336 -0.2336 0.3394 0.3394 0.6781 0.6781 0.8821 0.8821 1.0657 1.0657 1.1667 1.1667 1.2359 1.2359 1.4332 1.4332 1.4603 1.4603 1.4790 1.4790 1.5148 1.5148 1.7714 1.7714 2.2458 2.2458 2.2665 2.2665 2.7064 2.7064 2.8293 2.8293 2.9265 2.9265 3.1738 3.1738 3.6290 3.6290 3.6601 3.6601 3.9779 3.9779 4.0560 4.0560 4.1575 4.1575 4.7912 4.7912 4.8531 4.8531 5.0006 5.0006 5.2542 5.2542 9.6291 9.6291 9.6860 9.6860 10.3792 10.3792 10.4504 10.4504 10.7308 10.7308 10.9130 10.9130 k = 0.3654 0.2110-0.0000 ( 21534 PWs) bands (ev): -14.4809 -14.4809 -14.4600 -14.4600 -10.6388 -10.6388 -10.0231 -10.0231 -9.9767 -9.9767 -9.9742 -9.9742 -9.8030 -9.8030 -9.7494 -9.7494 -3.3176 -3.3176 -3.2393 -3.2393 -2.0048 -2.0048 -1.9067 -1.9067 -1.8419 -1.8419 -1.8009 -1.8009 -0.6068 -0.6068 -0.2440 -0.2440 0.3580 0.3580 0.6566 0.6566 0.8794 0.8794 1.0640 1.0640 1.1649 1.1649 1.2357 1.2357 1.4346 1.4346 1.4647 1.4647 1.4806 1.4806 1.4898 1.4898 1.7639 1.7639 2.2149 2.2149 2.2574 2.2574 2.7015 2.7015 2.8275 2.8275 2.9161 2.9161 3.1754 3.1754 3.6290 3.6290 3.6605 3.6605 3.9758 3.9758 4.0568 4.0568 4.1585 4.1585 4.7935 4.7935 4.8552 4.8552 4.9863 4.9863 5.2538 5.2538 9.6720 9.6720 9.7131 9.7131 10.3810 10.3810 10.4649 10.4649 10.7687 10.7687 10.9179 10.9179 k = 0.3846 0.2221-0.0000 ( 21548 PWs) bands (ev): -14.4799 -14.4799 -14.4607 -14.4607 -10.6386 -10.6386 -10.0249 -10.0249 -9.9752 -9.9752 -9.9737 -9.9737 -9.8064 -9.8064 -9.7492 -9.7492 -3.3111 -3.3111 -3.2405 -3.2405 -1.9953 -1.9953 -1.8910 -1.8910 -1.8455 -1.8455 -1.8005 -1.8005 -0.5900 -0.5900 -0.2534 -0.2534 0.3767 0.3767 0.6350 0.6350 0.8770 0.8770 1.0625 1.0625 1.1631 1.1631 1.2368 1.2368 1.4359 1.4359 1.4623 1.4623 1.4690 1.4690 1.4856 1.4856 1.7569 1.7569 2.1865 2.1865 2.2501 2.2501 2.6972 2.6972 2.8261 2.8261 2.9066 2.9066 3.1768 3.1768 3.6291 3.6291 3.6608 3.6608 3.9740 3.9740 4.0575 4.0575 4.1594 4.1594 4.7955 4.7955 4.8571 4.8571 4.9735 4.9735 5.2535 5.2535 9.6596 9.6596 9.7963 9.7963 10.3825 10.3825 10.4718 10.4718 10.7982 10.7982 10.9250 10.9250 k = 0.4038 0.2332-0.0000 ( 21552 PWs) bands (ev): -14.4790 -14.4790 -14.4613 -14.4613 -10.6384 -10.6384 -10.0264 -10.0264 -9.9754 -9.9754 -9.9716 -9.9716 -9.8094 -9.8094 -9.7490 -9.7490 -3.3050 -3.3050 -3.2419 -3.2419 -1.9865 -1.9865 -1.8767 -1.8767 -1.8491 -1.8491 -1.8010 -1.8010 -0.5752 -0.5752 -0.2615 -0.2615 0.3956 0.3956 0.6135 0.6135 0.8749 0.8749 1.0612 1.0612 1.1620 1.1620 1.2385 1.2385 1.4368 1.4368 1.4396 1.4396 1.4728 1.4728 1.4875 1.4875 1.7506 1.7506 2.1616 2.1616 2.2440 2.2440 2.6935 2.6935 2.8249 2.8249 2.8983 2.8983 3.1780 3.1780 3.6291 3.6291 3.6611 3.6611 3.9725 3.9725 4.0580 4.0580 4.1601 4.1601 4.7973 4.7973 4.8588 4.8588 4.9624 4.9624 5.2533 5.2533 9.6488 9.6488 9.8780 9.8780 10.3837 10.3837 10.4692 10.4692 10.8207 10.8207 10.9335 10.9335 k = 0.4231 0.2443-0.0000 ( 21574 PWs) bands (ev): -14.4782 -14.4782 -14.4619 -14.4619 -10.6383 -10.6383 -10.0278 -10.0278 -9.9758 -9.9758 -9.9695 -9.9695 -9.8120 -9.8120 -9.7488 -9.7488 -3.2996 -3.2996 -3.2435 -3.2435 -1.9785 -1.9785 -1.8647 -1.8647 -1.8513 -1.8513 -1.8025 -1.8025 -0.5626 -0.5626 -0.2684 -0.2684 0.4144 0.4144 0.5923 0.5923 0.8731 0.8731 1.0602 1.0602 1.1617 1.1617 1.2405 1.2405 1.4189 1.4189 1.4379 1.4379 1.4762 1.4762 1.4891 1.4891 1.7452 1.7452 2.1406 2.1406 2.2391 2.2391 2.6904 2.6904 2.8240 2.8240 2.8913 2.8913 3.1790 3.1790 3.6292 3.6292 3.6613 3.6613 3.9712 3.9712 4.0584 4.0584 4.1608 4.1608 4.7987 4.7987 4.8601 4.8601 4.9532 4.9532 5.2531 5.2531 9.6398 9.6398 9.9570 9.9570 10.3848 10.3848 10.4560 10.4560 10.8394 10.8394 10.9405 10.9405 k = 0.4423 0.2554-0.0000 ( 21584 PWs) bands (ev): -14.4775 -14.4775 -14.4624 -14.4624 -10.6381 -10.6381 -10.0290 -10.0290 -9.9761 -9.9761 -9.9678 -9.9678 -9.8141 -9.8141 -9.7487 -9.7487 -3.2950 -3.2950 -3.2450 -3.2450 -1.9717 -1.9717 -1.8604 -1.8604 -1.8468 -1.8468 -1.8050 -1.8050 -0.5525 -0.5525 -0.2738 -0.2738 0.4331 0.4331 0.5716 0.5716 0.8717 0.8717 1.0594 1.0594 1.1621 1.1621 1.2424 1.2424 1.4016 1.4016 1.4386 1.4386 1.4791 1.4791 1.4904 1.4904 1.7408 1.7408 2.1238 2.1238 2.2352 2.2352 2.6879 2.6879 2.8233 2.8233 2.8857 2.8857 3.1797 3.1797 3.6292 3.6292 3.6615 3.6615 3.9702 3.9702 4.0588 4.0588 4.1613 4.1613 4.7999 4.7999 4.8612 4.8612 4.9460 4.9460 5.2529 5.2529 9.6327 9.6327 10.0316 10.0316 10.3856 10.3856 10.4325 10.4325 10.8568 10.8568 10.9436 10.9436 k = 0.4615 0.2665-0.0000 ( 21580 PWs) bands (ev): -14.4770 -14.4770 -14.4628 -14.4628 -10.6380 -10.6380 -10.0298 -10.0298 -9.9763 -9.9763 -9.9665 -9.9665 -9.8157 -9.8157 -9.7486 -9.7486 -3.2914 -3.2914 -3.2464 -3.2464 -1.9665 -1.9665 -1.8618 -1.8618 -1.8373 -1.8373 -1.8088 -1.8088 -0.5452 -0.5452 -0.2777 -0.2777 0.4509 0.4509 0.5523 0.5523 0.8707 0.8707 1.0589 1.0589 1.1629 1.1629 1.2440 1.2440 1.3884 1.3884 1.4391 1.4391 1.4813 1.4813 1.4912 1.4912 1.7376 1.7376 2.1117 2.1117 2.2325 2.2325 2.6862 2.6862 2.8228 2.8228 2.8816 2.8816 3.1803 3.1803 3.6292 3.6292 3.6617 3.6617 3.9695 3.9695 4.0590 4.0590 4.1616 4.1616 4.8007 4.8007 4.8620 4.8620 4.9408 4.9408 5.2528 5.2528 9.6275 9.6275 10.0989 10.0989 10.3862 10.3862 10.4015 10.4015 10.8734 10.8734 10.9420 10.9420 k = 0.4808 0.2776-0.0000 ( 21574 PWs) bands (ev): -14.4766 -14.4766 -14.4631 -14.4631 -10.6380 -10.6380 -10.0303 -10.0303 -9.9764 -9.9764 -9.9656 -9.9656 -9.8167 -9.8167 -9.7485 -9.7485 -3.2891 -3.2891 -3.2474 -3.2474 -1.9631 -1.9631 -1.8633 -1.8633 -1.8282 -1.8282 -1.8139 -1.8139 -0.5407 -0.5407 -0.2801 -0.2801 0.4661 0.4661 0.5362 0.5362 0.8701 0.8701 1.0586 1.0586 1.1636 1.1636 1.2450 1.2450 1.3800 1.3800 1.4394 1.4394 1.4827 1.4827 1.4916 1.4916 1.7356 1.7356 2.1043 2.1043 2.2309 2.2309 2.6851 2.6851 2.8226 2.8226 2.8791 2.8791 3.1806 3.1806 3.6292 3.6292 3.6618 3.6618 3.9690 3.9690 4.0591 4.0591 4.1619 4.1619 4.8012 4.8012 4.8625 4.8625 4.9376 4.9376 5.2527 5.2527 9.6244 9.6244 10.1521 10.1521 10.3696 10.3696 10.3867 10.3867 10.8874 10.8874 10.9372 10.9372 k = 0.5000 0.2887-0.0000 ( 21534 PWs) bands (ev): -14.4765 -14.4765 -14.4632 -14.4632 -10.6380 -10.6380 -10.0305 -10.0305 -9.9764 -9.9764 -9.9654 -9.9654 -9.8170 -9.8170 -9.7485 -9.7485 -3.2882 -3.2882 -3.2477 -3.2477 -1.9620 -1.9620 -1.8639 -1.8639 -1.8204 -1.8204 -1.8204 -1.8204 -0.5392 -0.5392 -0.2809 -0.2809 0.4730 0.4730 0.5289 0.5289 0.8699 0.8699 1.0585 1.0585 1.1639 1.1639 1.2454 1.2454 1.3771 1.3771 1.4395 1.4395 1.4832 1.4832 1.4918 1.4918 1.7349 1.7349 2.1018 2.1018 2.2304 2.2304 2.6848 2.6848 2.8225 2.8225 2.8782 2.8782 3.1807 3.1807 3.6292 3.6292 3.6618 3.6618 3.9689 3.9689 4.0592 4.0592 4.1619 4.1619 4.8014 4.8014 4.8626 4.8626 4.9366 4.9366 5.2527 5.2527 9.6233 9.6233 10.1748 10.1748 10.3540 10.3540 10.3868 10.3868 10.8937 10.8937 10.9339 10.9339 k = 0.5000 0.2887-0.0000 ( 21534 PWs) bands (ev): -14.4765 -14.4765 -14.4632 -14.4632 -10.6380 -10.6380 -10.0305 -10.0305 -9.9764 -9.9764 -9.9654 -9.9654 -9.8170 -9.8170 -9.7485 -9.7485 -3.2882 -3.2882 -3.2477 -3.2477 -1.9620 -1.9620 -1.8639 -1.8639 -1.8204 -1.8204 -1.8204 -1.8204 -0.5392 -0.5392 -0.2809 -0.2809 0.4730 0.4730 0.5289 0.5289 0.8699 0.8699 1.0585 1.0585 1.1639 1.1639 1.2454 1.2454 1.3771 1.3771 1.4395 1.4395 1.4832 1.4832 1.4918 1.4918 1.7349 1.7349 2.1018 2.1018 2.2304 2.2304 2.6848 2.6848 2.8225 2.8225 2.8782 2.8782 3.1807 3.1807 3.6292 3.6292 3.6618 3.6618 3.9689 3.9689 4.0592 4.0592 4.1619 4.1619 4.8014 4.8014 4.8626 4.8626 4.9366 4.9366 5.2527 5.2527 9.6233 9.6233 10.1748 10.1748 10.3540 10.3540 10.3868 10.3868 10.8937 10.8937 10.9339 10.9339 k = 0.4889 0.3079-0.0000 ( 21572 PWs) bands (ev): -14.4765 -14.4765 -14.4632 -14.4632 -10.6380 -10.6380 -10.0303 -10.0303 -9.9767 -9.9767 -9.9654 -9.9654 -9.8167 -9.8167 -9.7487 -9.7487 -3.2881 -3.2881 -3.2477 -3.2477 -1.9616 -1.9616 -1.8639 -1.8639 -1.8204 -1.8204 -1.8201 -1.8201 -0.5386 -0.5386 -0.2812 -0.2812 0.4737 0.4737 0.5290 0.5290 0.8677 0.8677 1.0590 1.0590 1.1646 1.1646 1.2451 1.2451 1.3765 1.3765 1.4398 1.4398 1.4832 1.4832 1.4925 1.4925 1.7334 1.7334 2.1037 2.1037 2.2296 2.2296 2.6828 2.6828 2.8221 2.8221 2.8780 2.8780 3.1809 3.1809 3.6292 3.6292 3.6618 3.6618 3.9692 3.9692 4.0590 4.0590 4.1618 4.1618 4.8014 4.8014 4.8627 4.8627 4.9374 4.9374 5.2515 5.2515 9.6203 9.6203 10.1776 10.1776 10.3576 10.3576 10.3935 10.3935 10.8961 10.8961 10.9383 10.9383 k = 0.4778 0.3272-0.0000 ( 21574 PWs) bands (ev): -14.4764 -14.4764 -14.4633 -14.4633 -10.6379 -10.6379 -10.0299 -10.0299 -9.9776 -9.9776 -9.9656 -9.9656 -9.8159 -9.8159 -9.7492 -9.7492 -3.2876 -3.2876 -3.2477 -3.2477 -1.9607 -1.9607 -1.8639 -1.8639 -1.8203 -1.8203 -1.8194 -1.8194 -0.5369 -0.5369 -0.2823 -0.2823 0.4757 0.4757 0.5293 0.5293 0.8614 0.8614 1.0606 1.0606 1.1665 1.1665 1.2443 1.2443 1.3748 1.3748 1.4407 1.4407 1.4831 1.4831 1.4946 1.4946 1.7292 1.7292 2.1093 2.1093 2.2272 2.2272 2.6771 2.6771 2.8211 2.8211 2.8775 2.8775 3.1815 3.1815 3.6292 3.6292 3.6618 3.6618 3.9702 3.9702 4.0587 4.0587 4.1615 4.1615 4.8016 4.8016 4.8628 4.8628 4.9398 4.9398 5.2478 5.2478 9.6114 9.6114 10.1860 10.1860 10.3682 10.3682 10.4132 10.4132 10.9033 10.9033 10.9512 10.9512 k = 0.4667 0.3464-0.0000 ( 21596 PWs) bands (ev): -14.4762 -14.4762 -14.4635 -14.4635 -10.6379 -10.6379 -10.0292 -10.0292 -9.9789 -9.9789 -9.9658 -9.9658 -9.8145 -9.8145 -9.7501 -9.7501 -3.2868 -3.2868 -3.2477 -3.2477 -1.9590 -1.9590 -1.8640 -1.8640 -1.8201 -1.8201 -1.8183 -1.8183 -0.5341 -0.5341 -0.2840 -0.2840 0.4790 0.4790 0.5300 0.5300 0.8511 0.8511 1.0633 1.0633 1.1693 1.1693 1.2432 1.2432 1.3720 1.3720 1.4421 1.4421 1.4830 1.4830 1.4980 1.4980 1.7224 1.7224 2.1184 2.1184 2.2234 2.2234 2.6675 2.6675 2.8196 2.8196 2.8766 2.8766 3.1825 3.1825 3.6292 3.6292 3.6619 3.6619 3.9718 3.9718 4.0580 4.0580 4.1609 4.1609 4.8019 4.8019 4.8630 4.8630 4.9439 4.9439 5.2419 5.2419 9.5978 9.5978 10.1999 10.1999 10.3855 10.3855 10.4448 10.4448 10.9149 10.9149 10.9727 10.9727 k = 0.4556 0.3657-0.0000 ( 21600 PWs) bands (ev): -14.4759 -14.4759 -14.4636 -14.4636 -10.6378 -10.6378 -10.0282 -10.0282 -9.9807 -9.9807 -9.9661 -9.9661 -9.8127 -9.8127 -9.7513 -9.7513 -3.2857 -3.2857 -3.2478 -3.2478 -1.9568 -1.9568 -1.8641 -1.8641 -1.8197 -1.8197 -1.8168 -1.8168 -0.5303 -0.5303 -0.2863 -0.2863 0.4835 0.4835 0.5309 0.5309 0.8375 0.8375 1.0669 1.0669 1.1724 1.1724 1.2419 1.2419 1.3683 1.3683 1.4440 1.4440 1.4829 1.4829 1.5024 1.5024 1.7135 1.7135 2.1304 2.1304 2.2183 2.2183 2.6542 2.6542 2.8178 2.8178 2.8754 2.8754 3.1838 3.1838 3.6293 3.6293 3.6620 3.6620 3.9740 3.9740 4.0572 4.0572 4.1602 4.1602 4.8022 4.8022 4.8633 4.8633 4.9494 4.9494 5.2337 5.2337 9.5807 9.5807 10.2192 10.2192 10.4093 10.4093 10.4871 10.4871 10.9303 10.9303 11.0026 11.0026 k = 0.4444 0.3849-0.0000 ( 21600 PWs) bands (ev): -14.4756 -14.4756 -14.4639 -14.4639 -10.6377 -10.6377 -10.0270 -10.0270 -9.9829 -9.9829 -9.9665 -9.9665 -9.8104 -9.8104 -9.7529 -9.7529 -3.2842 -3.2842 -3.2479 -3.2479 -1.9540 -1.9540 -1.8644 -1.8644 -1.8193 -1.8193 -1.8148 -1.8148 -0.5256 -0.5256 -0.2892 -0.2892 0.4891 0.4891 0.5323 0.5323 0.8211 0.8211 1.0714 1.0714 1.1752 1.1752 1.2409 1.2409 1.3637 1.3637 1.4462 1.4462 1.4827 1.4827 1.5078 1.5078 1.7031 1.7031 2.1450 2.1450 2.2122 2.2122 2.6373 2.6373 2.8160 2.8160 2.8739 2.8739 3.1852 3.1852 3.6293 3.6293 3.6621 3.6621 3.9766 3.9766 4.0561 4.0561 4.1593 4.1593 4.8027 4.8027 4.8637 4.8637 4.9564 4.9564 5.2236 5.2236 9.5616 9.5616 10.2436 10.2436 10.4390 10.4390 10.5385 10.5385 10.9485 10.9485 11.0405 11.0405 k = 0.4333 0.4041-0.0000 ( 21594 PWs) bands (ev): -14.4752 -14.4752 -14.4642 -14.4642 -10.6376 -10.6376 -10.0256 -10.0256 -9.9853 -9.9853 -9.9670 -9.9670 -9.8079 -9.8079 -9.7548 -9.7548 -3.2825 -3.2825 -3.2481 -3.2481 -1.9506 -1.9506 -1.8650 -1.8650 -1.8189 -1.8189 -1.8125 -1.8125 -0.5201 -0.5201 -0.2924 -0.2924 0.4957 0.4957 0.5343 0.5343 0.8024 0.8024 1.0767 1.0767 1.1769 1.1769 1.2405 1.2405 1.3584 1.3584 1.4487 1.4487 1.4825 1.4825 1.5139 1.5139 1.6916 1.6916 2.1617 2.1617 2.2055 2.2055 2.6171 2.6171 2.8143 2.8143 2.8721 2.8721 3.1868 3.1868 3.6293 3.6293 3.6623 3.6623 3.9795 3.9795 4.0548 4.0548 4.1584 4.1584 4.8032 4.8032 4.8641 4.8641 4.9646 4.9646 5.2117 5.2117 9.5416 9.5416 10.2729 10.2729 10.4739 10.4739 10.5977 10.5977 10.9683 10.9683 11.0863 11.0863 k = 0.4222 0.4234-0.0000 ( 21594 PWs) bands (ev): -14.4748 -14.4748 -14.4646 -14.4646 -10.6375 -10.6375 -10.0239 -10.0239 -9.9880 -9.9880 -9.9675 -9.9675 -9.8050 -9.8050 -9.7570 -9.7570 -3.2806 -3.2806 -3.2484 -3.2484 -1.9467 -1.9467 -1.8659 -1.8659 -1.8184 -1.8184 -1.8098 -1.8098 -0.5142 -0.5142 -0.2959 -0.2959 0.5031 0.5031 0.5371 0.5371 0.7820 0.7820 1.0827 1.0827 1.1773 1.1773 1.2409 1.2409 1.3525 1.3525 1.4514 1.4514 1.4823 1.4823 1.5205 1.5205 1.6794 1.6794 2.1791 2.1791 2.1994 2.1994 2.5941 2.5941 2.8127 2.8127 2.8702 2.8702 3.1884 3.1884 3.6293 3.6293 3.6624 3.6624 3.9827 3.9827 4.0534 4.0534 4.1574 4.1574 4.8038 4.8038 4.8645 4.8645 4.9740 4.9740 5.1983 5.1983 9.5218 9.5218 10.3067 10.3067 10.5133 10.5133 10.6635 10.6635 10.9880 10.9880 11.1394 11.1394 k = 0.4111 0.4426-0.0000 ( 21602 PWs) bands (ev): -14.4743 -14.4743 -14.4650 -14.4650 -10.6373 -10.6373 -10.0221 -10.0221 -9.9908 -9.9908 -9.9680 -9.9680 -9.8020 -9.8020 -9.7594 -9.7594 -3.2784 -3.2784 -3.2489 -3.2489 -1.9423 -1.9423 -1.8671 -1.8671 -1.8179 -1.8179 -1.8070 -1.8070 -0.5079 -0.5079 -0.2996 -0.2996 0.5113 0.5113 0.5407 0.5407 0.7602 0.7602 1.0893 1.0893 1.1760 1.1760 1.2424 1.2424 1.3459 1.3459 1.4540 1.4540 1.4820 1.4820 1.5276 1.5276 1.6670 1.6670 2.1869 2.1869 2.2044 2.2044 2.5688 2.5688 2.8113 2.8113 2.8682 2.8682 3.1900 3.1900 3.6294 3.6294 3.6625 3.6625 3.9859 3.9859 4.0519 4.0519 4.1564 4.1564 4.8044 4.8044 4.8650 4.8650 4.9844 4.9844 5.1838 5.1838 9.5030 9.5030 10.3447 10.3447 10.5563 10.5563 10.7350 10.7350 11.0055 11.0055 11.1995 11.1995 k = 0.4000 0.4619-0.0000 ( 21610 PWs) bands (ev): -14.4737 -14.4737 -14.4654 -14.4654 -10.6372 -10.6372 -10.0202 -10.0202 -9.9937 -9.9937 -9.9685 -9.9685 -9.7988 -9.7988 -9.7620 -9.7620 -3.2761 -3.2761 -3.2495 -3.2495 -1.9377 -1.9377 -1.8687 -1.8687 -1.8174 -1.8174 -1.8040 -1.8040 -0.5015 -0.5015 -0.3032 -0.3032 0.5199 0.5199 0.5453 0.5453 0.7375 0.7375 1.0962 1.0962 1.1733 1.1733 1.2449 1.2449 1.3387 1.3387 1.4566 1.4566 1.4817 1.4817 1.5351 1.5351 1.6546 1.6546 2.1814 2.1814 2.2241 2.2241 2.5417 2.5417 2.8102 2.8102 2.8661 2.8661 3.1914 3.1914 3.6294 3.6294 3.6627 3.6627 3.9890 3.9890 4.0503 4.0503 4.1555 4.1555 4.8050 4.8050 4.8655 4.8655 4.9956 4.9956 5.1685 5.1685 9.4858 9.4858 10.3862 10.3862 10.6016 10.6016 10.8112 10.8112 11.0177 11.0177 11.2657 11.2657 k = 0.3889 0.4811-0.0000 ( 21580 PWs) bands (ev): -14.4731 -14.4731 -14.4660 -14.4660 -10.6371 -10.6371 -10.0181 -10.0181 -9.9965 -9.9965 -9.9690 -9.9690 -9.7956 -9.7956 -9.7648 -9.7648 -3.2736 -3.2736 -3.2504 -3.2504 -1.9327 -1.9327 -1.8706 -1.8706 -1.8169 -1.8169 -1.8012 -1.8012 -0.4954 -0.4954 -0.3066 -0.3066 0.5288 0.5288 0.5512 0.5512 0.7143 0.7143 1.1035 1.1035 1.1693 1.1693 1.2482 1.2482 1.3311 1.3311 1.4591 1.4591 1.4814 1.4814 1.5428 1.5428 1.6424 1.6424 2.1751 2.1751 2.2460 2.2460 2.5134 2.5134 2.8093 2.8093 2.8640 2.8640 3.1927 3.1927 3.6294 3.6294 3.6628 3.6628 3.9920 3.9920 4.0487 4.0487 4.1547 4.1547 4.8055 4.8055 4.8660 4.8660 5.0076 5.0076 5.1526 5.1526 9.4707 9.4707 10.4307 10.4307 10.6482 10.6482 10.8913 10.8913 11.0204 11.0204 11.3348 11.3348 k = 0.3778 0.5004-0.0000 ( 21568 PWs) bands (ev): -14.4724 -14.4724 -14.4666 -14.4666 -10.6370 -10.6370 -10.0160 -10.0160 -9.9993 -9.9993 -9.9695 -9.9695 -9.7923 -9.7923 -9.7678 -9.7678 -3.2709 -3.2709 -3.2516 -3.2516 -1.9278 -1.9278 -1.8729 -1.8729 -1.8164 -1.8164 -1.7985 -1.7985 -0.4897 -0.4897 -0.3097 -0.3097 0.5379 0.5379 0.5582 0.5582 0.6909 0.6909 1.1109 1.1109 1.1643 1.1643 1.2523 1.2523 1.3230 1.3230 1.4612 1.4612 1.4811 1.4811 1.5509 1.5509 1.6305 1.6305 2.1693 2.1693 2.2689 2.2689 2.4847 2.4847 2.8085 2.8085 2.8621 2.8621 3.1938 3.1938 3.6294 3.6294 3.6629 3.6629 3.9946 3.9946 4.0472 4.0472 4.1540 4.1540 4.8061 4.8061 4.8664 4.8664 5.0200 5.0200 5.1367 5.1367 9.4579 9.4579 10.4771 10.4771 10.6945 10.6945 10.9742 10.9742 11.0089 11.0089 11.3446 11.3446 k = 0.3667 0.5196-0.0000 ( 21570 PWs) bands (ev): -14.4717 -14.4717 -14.4672 -14.4672 -10.6369 -10.6369 -10.0139 -10.0139 -10.0018 -10.0018 -9.9699 -9.9699 -9.7891 -9.7891 -9.7708 -9.7708 -3.2682 -3.2682 -3.2530 -3.2530 -1.9229 -1.9229 -1.8755 -1.8755 -1.8159 -1.8159 -1.7962 -1.7962 -0.4849 -0.4849 -0.3124 -0.3124 0.5472 0.5472 0.5662 0.5662 0.6677 0.6677 1.1182 1.1182 1.1587 1.1587 1.2570 1.2570 1.3147 1.3147 1.4630 1.4630 1.4809 1.4809 1.5592 1.5592 1.6192 1.6192 2.1646 2.1646 2.2921 2.2921 2.4562 2.4562 2.8080 2.8080 2.8605 2.8605 3.1947 3.1947 3.6295 3.6295 3.6630 3.6630 3.9967 3.9967 4.0460 4.0460 4.1535 4.1535 4.8065 4.8065 4.8668 4.8668 5.0326 5.0326 5.1210 5.1210 9.4478 9.4478 10.5242 10.5242 10.7391 10.7391 10.9797 10.9797 11.0592 11.0592 11.3264 11.3264 k = 0.3556 0.5389-0.0000 ( 21552 PWs) bands (ev): -14.4710 -14.4710 -14.4679 -14.4679 -10.6368 -10.6368 -10.0119 -10.0119 -10.0042 -10.0042 -9.9702 -9.9702 -9.7859 -9.7859 -9.7739 -9.7739 -3.2655 -3.2655 -3.2547 -3.2547 -1.9186 -1.9186 -1.8780 -1.8780 -1.8155 -1.8155 -1.7944 -1.7944 -0.4811 -0.4811 -0.3144 -0.3144 0.5564 0.5564 0.5749 0.5749 0.6454 0.6454 1.1255 1.1255 1.1527 1.1527 1.2622 1.2622 1.3065 1.3065 1.4644 1.4644 1.4807 1.4807 1.5677 1.5677 1.6085 1.6085 2.1611 2.1611 2.3151 2.3151 2.4290 2.4290 2.8076 2.8076 2.8592 2.8592 3.1954 3.1954 3.6295 3.6295 3.6631 3.6631 3.9983 3.9983 4.0450 4.0450 4.1531 4.1531 4.8069 4.8069 4.8671 4.8671 5.0452 5.0452 5.1061 5.1061 9.4405 9.4405 10.5694 10.5694 10.7804 10.7804 10.9359 10.9359 11.1428 11.1428 11.3142 11.3142 k = 0.3444 0.5581-0.0000 ( 21549 PWs) bands (ev): -14.4702 -14.4702 -14.4686 -14.4686 -10.6368 -10.6368 -10.0100 -10.0100 -10.0063 -10.0063 -9.9704 -9.9704 -9.7828 -9.7828 -9.7769 -9.7769 -3.2628 -3.2628 -3.2568 -3.2568 -1.9154 -1.9154 -1.8801 -1.8801 -1.8152 -1.8152 -1.7933 -1.7933 -0.4786 -0.4786 -0.3157 -0.3157 0.5653 0.5653 0.5826 0.5826 0.6262 0.6262 1.1322 1.1322 1.1467 1.1467 1.2672 1.2672 1.2995 1.2995 1.4652 1.4652 1.4806 1.4806 1.5761 1.5761 1.5988 1.5988 2.1589 2.1589 2.3361 2.3361 2.4052 2.4052 2.8073 2.8073 2.8583 2.8583 3.1957 3.1957 3.6295 3.6295 3.6632 3.6632 3.9992 3.9992 4.0444 4.0444 4.1528 4.1528 4.8071 4.8071 4.8672 4.8672 5.0566 5.0566 5.0931 5.0931 9.4361 9.4361 10.6074 10.6074 10.8165 10.8165 10.8860 10.8860 11.2191 11.2191 11.2999 11.2999 k = 0.3333 0.5774-0.0000 ( 21555 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.6368 -10.6368 -10.0088 -10.0088 -10.0076 -10.0076 -9.9704 -9.9704 -9.7799 -9.7799 -9.7798 -9.7798 -3.2610 -3.2610 -3.2584 -3.2584 -1.9142 -1.9142 -1.8809 -1.8809 -1.8150 -1.8150 -1.7929 -1.7929 -0.4777 -0.4777 -0.3162 -0.3162 0.5708 0.5708 0.5849 0.5849 0.6174 0.6174 1.1366 1.1366 1.1426 1.1426 1.2697 1.2697 1.2961 1.2961 1.4655 1.4655 1.4806 1.4806 1.5814 1.5814 1.5930 1.5930 2.1582 2.1582 2.3470 2.3470 2.3933 2.3933 2.8073 2.8073 2.8580 2.8580 3.1959 3.1959 3.6295 3.6295 3.6632 3.6632 3.9995 3.9995 4.0442 4.0442 4.1528 4.1528 4.8072 4.8072 4.8673 4.8673 5.0627 5.0627 5.0865 5.0865 9.4346 9.4346 10.6249 10.6249 10.8428 10.8428 10.8500 10.8500 11.2642 11.2642 11.2809 11.2809 k = 0.3333 0.5774-0.0000 ( 21555 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.6368 -10.6368 -10.0088 -10.0088 -10.0076 -10.0076 -9.9704 -9.9704 -9.7799 -9.7799 -9.7798 -9.7798 -3.2610 -3.2610 -3.2584 -3.2584 -1.9142 -1.9142 -1.8809 -1.8809 -1.8150 -1.8150 -1.7929 -1.7929 -0.4777 -0.4777 -0.3162 -0.3162 0.5708 0.5708 0.5849 0.5849 0.6174 0.6174 1.1366 1.1366 1.1426 1.1426 1.2697 1.2697 1.2961 1.2961 1.4655 1.4655 1.4806 1.4806 1.5814 1.5814 1.5930 1.5930 2.1582 2.1582 2.3470 2.3470 2.3933 2.3933 2.8073 2.8073 2.8580 2.8580 3.1959 3.1959 3.6295 3.6295 3.6632 3.6632 3.9995 3.9995 4.0442 4.0442 4.1528 4.1528 4.8072 4.8072 4.8673 4.8673 5.0627 5.0627 5.0865 5.0865 9.4346 9.4346 10.6249 10.6249 10.8428 10.8428 10.8500 10.8500 11.2642 11.2642 11.2809 11.2809 k = 0.3222 0.5581-0.0000 ( 21553 PWs) bands (ev): -14.4702 -14.4702 -14.4686 -14.4686 -10.6368 -10.6368 -10.0098 -10.0098 -10.0065 -10.0065 -9.9704 -9.9704 -9.7827 -9.7827 -9.7771 -9.7771 -3.2629 -3.2629 -3.2566 -3.2566 -1.9155 -1.9155 -1.8800 -1.8800 -1.8152 -1.8152 -1.7933 -1.7933 -0.4787 -0.4787 -0.3157 -0.3157 0.5611 0.5611 0.5889 0.5889 0.6240 0.6240 1.1325 1.1325 1.1465 1.1465 1.2669 1.2669 1.2999 1.2999 1.4652 1.4652 1.4806 1.4806 1.5760 1.5760 1.5988 1.5988 2.1589 2.1589 2.3369 2.3369 2.4046 2.4046 2.8073 2.8073 2.8583 2.8583 3.1957 3.1957 3.6295 3.6295 3.6632 3.6632 3.9992 3.9992 4.0444 4.0444 4.1528 4.1528 4.8071 4.8071 4.8672 4.8672 5.0571 5.0571 5.0926 5.0926 9.4361 9.4361 10.6024 10.6024 10.8391 10.8391 10.8685 10.8685 11.2367 11.2367 11.2806 11.2806 k = 0.3111 0.5389-0.0000 ( 21561 PWs) bands (ev): -14.4711 -14.4711 -14.4677 -14.4677 -10.6368 -10.6368 -10.0109 -10.0109 -10.0052 -10.0052 -9.9702 -9.9702 -9.7853 -9.7853 -9.7744 -9.7744 -3.2663 -3.2663 -3.2541 -3.2541 -1.9194 -1.9194 -1.8775 -1.8775 -1.8160 -1.8160 -1.7943 -1.7943 -0.4816 -0.4816 -0.3142 -0.3142 0.5422 0.5422 0.5971 0.5971 0.6375 0.6375 1.1264 1.1264 1.1517 1.1517 1.2605 1.2605 1.3093 1.3093 1.4645 1.4645 1.4805 1.4805 1.5676 1.5676 1.6087 1.6087 2.1611 2.1611 2.3192 2.3192 2.4259 2.4259 2.8076 2.8076 2.8594 2.8594 3.1954 3.1954 3.6295 3.6295 3.6631 3.6631 3.9985 3.9985 4.0449 4.0449 4.1530 4.1530 4.8068 4.8068 4.8670 4.8670 5.0476 5.0476 5.1039 5.1039 9.4405 9.4405 10.5434 10.5434 10.8624 10.8624 10.8812 10.8812 11.1982 11.1982 11.2485 11.2485 k = 0.3000 0.5196-0.0000 ( 21561 PWs) bands (ev): -14.4721 -14.4721 -14.4669 -14.4669 -10.6369 -10.6369 -10.0117 -10.0117 -10.0042 -10.0042 -9.9699 -9.9699 -9.7876 -9.7876 -9.7719 -9.7719 -3.2701 -3.2701 -3.2516 -3.2516 -1.9251 -1.9251 -1.8743 -1.8743 -1.8175 -1.8175 -1.7958 -1.7958 -0.4865 -0.4865 -0.3116 -0.3116 0.5216 0.5216 0.6060 0.6060 0.6536 0.6536 1.1204 1.1204 1.1563 1.1563 1.2532 1.2532 1.3220 1.3220 1.4633 1.4633 1.4803 1.4803 1.5590 1.5590 1.6196 1.6196 2.1647 2.1647 2.3022 2.3022 2.4493 2.4493 2.8079 2.8079 2.8614 2.8614 3.1947 3.1947 3.6295 3.6295 3.6630 3.6630 3.9974 3.9974 4.0456 4.0456 4.1533 4.1533 4.8063 4.8063 4.8666 4.8666 5.0385 5.0385 5.1162 5.1162 9.4477 9.4477 10.4662 10.4662 10.8838 10.8838 10.8980 10.8980 11.1561 11.1561 11.1988 11.1988 k = 0.2889 0.5004-0.0000 ( 21537 PWs) bands (ev): -14.4730 -14.4730 -14.4660 -14.4660 -10.6370 -10.6370 -10.0121 -10.0121 -10.0034 -10.0034 -9.9696 -9.9696 -9.7896 -9.7896 -9.7695 -9.7695 -3.2744 -3.2744 -3.2492 -3.2492 -1.9322 -1.9322 -1.8709 -1.8709 -1.8201 -1.8201 -1.7974 -1.7974 -0.4936 -0.4936 -0.3079 -0.3079 0.5009 0.5009 0.6150 0.6150 0.6715 0.6715 1.1145 1.1145 1.1600 1.1600 1.2464 1.2464 1.3371 1.3371 1.4618 1.4618 1.4798 1.4798 1.5506 1.5506 1.6312 1.6312 2.1696 2.1696 2.2878 2.2878 2.4732 2.4732 2.8085 2.8085 2.8643 2.8643 3.1938 3.1938 3.6294 3.6294 3.6629 3.6629 3.9961 3.9961 4.0464 4.0464 4.1536 4.1536 4.8056 4.8056 4.8660 4.8660 5.0308 5.0308 5.1284 5.1284 9.4577 9.4577 10.3810 10.3810 10.8776 10.8776 10.9338 10.9338 11.1112 11.1112 11.1429 11.1429 k = 0.2778 0.4811-0.0000 ( 21541 PWs) bands (ev): -14.4740 -14.4740 -14.4652 -14.4652 -10.6372 -10.6372 -10.0122 -10.0122 -10.0029 -10.0029 -9.9693 -9.9693 -9.7912 -9.7912 -9.7673 -9.7673 -3.2792 -3.2792 -3.2470 -3.2470 -1.9404 -1.9404 -1.8683 -1.8682 -1.8238 -1.8238 -1.7988 -1.7988 -0.5029 -0.5029 -0.3030 -0.3030 0.4802 0.4802 0.6243 0.6243 0.6906 0.6906 1.1090 1.1090 1.1627 1.1627 1.2404 1.2404 1.3542 1.3542 1.4601 1.4601 1.4790 1.4790 1.5425 1.5425 1.6435 1.6435 2.1758 2.1758 2.2768 2.2768 2.4970 2.4970 2.8092 2.8092 2.8683 2.8683 3.1927 3.1927 3.6294 3.6294 3.6627 3.6627 3.9947 3.9947 4.0472 4.0472 4.1539 4.1539 4.8047 4.8047 4.8652 4.8652 5.0248 5.0248 5.1404 5.1404 9.4703 9.4703 10.2917 10.2917 10.8621 10.8621 10.9652 10.9652 11.0635 11.0635 11.0859 11.0859 k = 0.2667 0.4619-0.0000 ( 21547 PWs) bands (ev): -14.4751 -14.4751 -14.4643 -14.4643 -10.6373 -10.6373 -10.0119 -10.0119 -10.0026 -10.0026 -9.9690 -9.9690 -9.7924 -9.7924 -9.7653 -9.7653 -3.2845 -3.2845 -3.2449 -3.2449 -1.9493 -1.9493 -1.8671 -1.8671 -1.8281 -1.8281 -1.8000 -1.8000 -0.5142 -0.5142 -0.2969 -0.2969 0.4598 0.4598 0.6341 0.6341 0.7105 0.7105 1.1038 1.1038 1.1644 1.1644 1.2356 1.2356 1.3731 1.3731 1.4580 1.4580 1.4779 1.4779 1.5347 1.5347 1.6564 1.6564 2.1831 2.1831 2.2695 2.2695 2.5205 2.5205 2.8100 2.8100 2.8732 2.8732 3.1914 3.1914 3.6294 3.6294 3.6625 3.6625 3.9933 3.9933 4.0480 4.0480 4.1542 4.1542 4.8036 4.8036 4.8641 4.8641 5.0207 5.0207 5.1521 5.1521 9.4854 9.4854 10.2003 10.2003 10.8385 10.8385 10.9870 10.9870 11.0130 11.0130 11.0313 11.0313 k = 0.2556 0.4426-0.0000 ( 21559 PWs) bands (ev): -14.4761 -14.4761 -14.4634 -14.4634 -10.6375 -10.6375 -10.0113 -10.0113 -10.0026 -10.0026 -9.9687 -9.9687 -9.7931 -9.7931 -9.7635 -9.7635 -3.2901 -3.2901 -3.2431 -3.2431 -1.9588 -1.9588 -1.8687 -1.8687 -1.8316 -1.8316 -1.8010 -1.8010 -0.5276 -0.5276 -0.2898 -0.2898 0.4396 0.4396 0.6444 0.6444 0.7307 0.7307 1.0992 1.0992 1.1652 1.1652 1.2320 1.2320 1.3935 1.3935 1.4558 1.4558 1.4764 1.4764 1.5274 1.5274 1.6699 1.6699 2.1915 2.1915 2.2664 2.2664 2.5434 2.5434 2.8111 2.8111 2.8793 2.8793 3.1898 3.1898 3.6293 3.6293 3.6622 3.6622 3.9921 3.9921 4.0488 4.0488 4.1545 4.1545 4.8022 4.8022 4.8629 4.8629 5.0186 5.0186 5.1633 5.1633 9.5028 9.5028 10.1078 10.1078 10.8079 10.8079 10.9560 10.9560 10.9795 10.9795 10.9995 10.9995 k = 0.2444 0.4234-0.0000 ( 21561 PWs) bands (ev): -14.4772 -14.4772 -14.4626 -14.4626 -10.6378 -10.6378 -10.0103 -10.0103 -10.0028 -10.0028 -9.9686 -9.9686 -9.7933 -9.7933 -9.7618 -9.7618 -3.2962 -3.2962 -3.2414 -3.2414 -1.9688 -1.9688 -1.8742 -1.8742 -1.8333 -1.8333 -1.8021 -1.8021 -0.5428 -0.5428 -0.2815 -0.2815 0.4197 0.4197 0.6555 0.6555 0.7509 0.7509 1.0950 1.0950 1.1654 1.1654 1.2297 1.2297 1.4150 1.4150 1.4533 1.4533 1.4746 1.4746 1.5208 1.5208 1.6838 1.6838 2.2009 2.2009 2.2675 2.2675 2.5656 2.5656 2.8124 2.8124 2.8864 2.8864 3.1880 3.1880 3.6293 3.6293 3.6619 3.6619 3.9910 3.9910 4.0494 4.0494 4.1547 4.1547 4.8005 4.8005 4.8614 4.8614 5.0186 5.0186 5.1739 5.1739 9.5223 9.5223 10.0148 10.0148 10.7716 10.7716 10.9003 10.9003 10.9311 10.9311 10.9918 10.9918 k = 0.2333 0.4041-0.0000 ( 21563 PWs) bands (ev): -14.4783 -14.4783 -14.4618 -14.4618 -10.6380 -10.6380 -10.0090 -10.0090 -10.0032 -10.0032 -9.9686 -9.9686 -9.7930 -9.7930 -9.7603 -9.7603 -3.3026 -3.3026 -3.2400 -3.2400 -1.9792 -1.9792 -1.8836 -1.8836 -1.8329 -1.8329 -1.8032 -1.8032 -0.5597 -0.5597 -0.2722 -0.2722 0.3999 0.3999 0.6674 0.6674 0.7707 0.7707 1.0915 1.0915 1.1652 1.1652 1.2286 1.2286 1.4366 1.4366 1.4507 1.4507 1.4725 1.4725 1.5155 1.5155 1.6980 1.6980 2.2112 2.2112 2.2730 2.2730 2.5870 2.5870 2.8139 2.8139 2.8946 2.8946 3.1860 3.1860 3.6292 3.6292 3.6616 3.6616 3.9902 3.9902 4.0499 4.0499 4.1548 4.1548 4.7987 4.7987 4.8597 4.8597 5.0206 5.0206 5.1841 5.1841 9.5437 9.5437 9.9219 9.9219 10.7308 10.7308 10.8452 10.8452 10.8836 10.8836 10.9678 10.9678 k = 0.2222 0.3849-0.0000 ( 21557 PWs) bands (ev): -14.4794 -14.4794 -14.4610 -14.4610 -10.6383 -10.6383 -10.0073 -10.0073 -10.0039 -10.0039 -9.9686 -9.9686 -9.7923 -9.7923 -9.7590 -9.7590 -3.3094 -3.3094 -3.2389 -3.2389 -1.9899 -1.9899 -1.8958 -1.8958 -1.8314 -1.8314 -1.8045 -1.8045 -0.5782 -0.5782 -0.2619 -0.2619 0.3803 0.3803 0.6802 0.6802 0.7898 0.7898 1.0885 1.0885 1.1648 1.1648 1.2286 1.2286 1.4479 1.4479 1.4558 1.4558 1.4709 1.4709 1.5130 1.5130 1.7123 1.7123 2.2222 2.2222 2.2829 2.2829 2.6076 2.6076 2.8156 2.8156 2.9037 2.9037 3.1839 3.1839 3.6292 3.6292 3.6612 3.6612 3.9896 3.9896 4.0503 4.0503 4.1547 4.1547 4.7966 4.7966 4.8578 4.8578 5.0247 5.0247 5.1936 5.1936 9.5666 9.5666 9.8295 9.8295 10.6867 10.6867 10.7916 10.7916 10.8373 10.8373 10.9316 10.9316 k = 0.2111 0.3657-0.0000 ( 21555 PWs) bands (ev): -14.4806 -14.4806 -14.4602 -14.4602 -10.6386 -10.6386 -10.0056 -10.0056 -10.0046 -10.0046 -9.9687 -9.9687 -9.7911 -9.7911 -9.7578 -9.7578 -3.3164 -3.3164 -3.2379 -3.2379 -2.0007 -2.0007 -1.9099 -1.9099 -1.8294 -1.8294 -1.8061 -1.8061 -0.5979 -0.5979 -0.2508 -0.2508 0.3610 0.3610 0.6939 0.6939 0.8078 0.8078 1.0861 1.0861 1.1644 1.1644 1.2299 1.2299 1.4450 1.4450 1.4629 1.4629 1.4749 1.4749 1.5177 1.5177 1.7267 1.7267 2.2340 2.2340 2.2971 2.2971 2.6272 2.6272 2.8177 2.8177 2.9138 2.9138 3.1815 3.1815 3.6291 3.6291 3.6608 3.6608 3.9893 3.9893 4.0505 4.0505 4.1546 4.1546 4.7943 4.7943 4.8558 4.8558 5.0309 5.0309 5.2025 5.2025 9.5909 9.5909 9.7379 9.7379 10.6402 10.6402 10.7403 10.7403 10.7922 10.7922 10.8883 10.8883 k = 0.2000 0.3464-0.0000 ( 21565 PWs) bands (ev): -14.4817 -14.4817 -14.4594 -14.4594 -10.6388 -10.6388 -10.0060 -10.0060 -10.0032 -10.0032 -9.9688 -9.9688 -9.7896 -9.7896 -9.7568 -9.7568 -3.3237 -3.3237 -3.2373 -3.2373 -2.0117 -2.0117 -1.9255 -1.9255 -1.8272 -1.8272 -1.8079 -1.8079 -0.6186 -0.6186 -0.2388 -0.2388 0.3419 0.3419 0.7084 0.7084 0.8246 0.8246 1.0844 1.0844 1.1639 1.1639 1.2326 1.2326 1.4421 1.4421 1.4605 1.4605 1.4779 1.4779 1.5336 1.5336 1.7408 1.7408 2.2464 2.2464 2.3155 2.3155 2.6457 2.6457 2.8200 2.8200 2.9248 2.9248 3.1790 3.1790 3.6290 3.6290 3.6603 3.6603 3.9894 3.9894 4.0505 4.0505 4.1543 4.1543 4.7919 4.7919 4.8535 4.8535 5.0389 5.0389 5.2107 5.2107 9.6161 9.6161 9.6477 9.6477 10.5920 10.5920 10.6914 10.6914 10.7486 10.7486 10.8412 10.8412 k = 0.1889 0.3272-0.0000 ( 21571 PWs) bands (ev): -14.4828 -14.4828 -14.4587 -14.4587 -10.6392 -10.6392 -10.0073 -10.0073 -10.0008 -10.0008 -9.9689 -9.9689 -9.7877 -9.7877 -9.7560 -9.7560 -3.3311 -3.3311 -3.2368 -3.2368 -2.0227 -2.0227 -1.9420 -1.9420 -1.8251 -1.8251 -1.8098 -1.8098 -0.6401 -0.6401 -0.2262 -0.2262 0.3230 0.3231 0.7235 0.7235 0.8398 0.8398 1.0832 1.0832 1.1631 1.1631 1.2369 1.2369 1.4391 1.4391 1.4567 1.4567 1.4759 1.4759 1.5561 1.5561 1.7545 1.7545 2.2594 2.2594 2.3377 2.3377 2.6632 2.6632 2.8226 2.8226 2.9364 2.9364 3.1762 3.1762 3.6289 3.6289 3.6598 3.6598 3.9897 3.9897 4.0503 4.0503 4.1538 4.1538 4.7892 4.7892 4.8511 4.8511 5.0488 5.0488 5.2184 5.2184 9.5586 9.5586 9.6424 9.6424 10.5427 10.5427 10.6452 10.6452 10.7064 10.7064 10.7919 10.7919 k = 0.1778 0.3079-0.0000 ( 21561 PWs) bands (ev): -14.4839 -14.4839 -14.4580 -14.4580 -10.6395 -10.6395 -10.0089 -10.0089 -9.9982 -9.9982 -9.9690 -9.9690 -9.7854 -9.7854 -9.7553 -9.7553 -3.3386 -3.3386 -3.2365 -3.2365 -2.0336 -2.0336 -1.9592 -1.9592 -1.8235 -1.8235 -1.8117 -1.8117 -0.6621 -0.6621 -0.2131 -0.2131 0.3046 0.3046 0.7391 0.7391 0.8535 0.8535 1.0825 1.0825 1.1618 1.1618 1.2431 1.2431 1.4361 1.4361 1.4523 1.4523 1.4722 1.4722 1.5810 1.5810 1.7677 1.7677 2.2729 2.2729 2.3632 2.3632 2.6797 2.6797 2.8256 2.8256 2.9486 2.9486 3.1734 3.1734 3.6288 3.6288 3.6593 3.6593 3.9904 3.9904 4.0500 4.0500 4.1533 4.1533 4.7864 4.7864 4.8485 4.8485 5.0605 5.0605 5.2253 5.2253 9.4718 9.4718 9.6688 9.6688 10.4927 10.4927 10.6020 10.6020 10.6656 10.6656 10.7392 10.7392 k = 0.1667 0.2887-0.0000 ( 21573 PWs) bands (ev): -14.4850 -14.4850 -14.4574 -14.4574 -10.6398 -10.6398 -10.0107 -10.0107 -9.9955 -9.9955 -9.9689 -9.9689 -9.7830 -9.7830 -9.7547 -9.7547 -3.3462 -3.3462 -3.2364 -3.2364 -2.0444 -2.0444 -1.9767 -1.9767 -1.8229 -1.8229 -1.8130 -1.8130 -0.6844 -0.6844 -0.1995 -0.1995 0.2866 0.2866 0.7550 0.7550 0.8657 0.8657 1.0823 1.0823 1.1598 1.1598 1.2514 1.2514 1.4330 1.4330 1.4478 1.4478 1.4679 1.4679 1.6067 1.6067 1.7803 1.7803 2.2868 2.2868 2.3917 2.3917 2.6951 2.6951 2.8289 2.8289 2.9612 2.9612 3.1703 3.1703 3.6287 3.6287 3.6588 3.6588 3.9914 3.9914 4.0494 4.0494 4.1526 4.1526 4.7835 4.7835 4.8458 4.8458 5.0736 5.0736 5.2316 5.2316 9.3872 9.3872 9.6951 9.6951 10.4421 10.4421 10.5618 10.5618 10.6254 10.6254 10.6807 10.6807 k = 0.1556 0.2694-0.0000 ( 21571 PWs) bands (ev): -14.4860 -14.4860 -14.4568 -14.4568 -10.6401 -10.6401 -10.0126 -10.0126 -9.9926 -9.9926 -9.9688 -9.9688 -9.7804 -9.7804 -9.7542 -9.7542 -3.3538 -3.3538 -3.2365 -3.2365 -2.0549 -2.0549 -1.9943 -1.9943 -1.8236 -1.8236 -1.8132 -1.8132 -0.7067 -0.7067 -0.1857 -0.1857 0.2692 0.2692 0.7710 0.7710 0.8764 0.8764 1.0826 1.0826 1.1569 1.1569 1.2616 1.2616 1.4301 1.4301 1.4432 1.4432 1.4635 1.4635 1.6324 1.6324 1.7922 1.7922 2.3010 2.3010 2.4224 2.4224 2.7096 2.7096 2.8325 2.8325 2.9740 2.9740 3.1671 3.1671 3.6287 3.6287 3.6583 3.6583 3.9927 3.9927 4.0487 4.0487 4.1519 4.1519 4.7806 4.7806 4.8431 4.8431 5.0881 5.0881 5.2373 5.2373 9.3053 9.3053 9.7211 9.7211 10.3910 10.3910 10.5248 10.5248 10.5832 10.5832 10.6234 10.6234 k = 0.1444 0.2502-0.0000 ( 21563 PWs) bands (ev): -14.4870 -14.4870 -14.4562 -14.4562 -10.6404 -10.6404 -10.0147 -10.0147 -9.9897 -9.9897 -9.9686 -9.9686 -9.7777 -9.7777 -9.7539 -9.7539 -3.3612 -3.3612 -3.2368 -3.2368 -2.0650 -2.0650 -2.0117 -2.0117 -1.8257 -1.8257 -1.8124 -1.8124 -0.7287 -0.7287 -0.1718 -0.1718 0.2523 0.2523 0.7868 0.7868 0.8858 0.8858 1.0832 1.0832 1.1532 1.1532 1.2736 1.2736 1.4271 1.4271 1.4386 1.4386 1.4590 1.4590 1.6577 1.6577 1.8034 1.8034 2.3153 2.3153 2.4547 2.4547 2.7233 2.7233 2.8365 2.8365 2.9869 2.9869 3.1637 3.1637 3.6286 3.6286 3.6577 3.6577 3.9942 3.9942 4.0477 4.0477 4.1511 4.1511 4.7775 4.7775 4.8403 4.8403 5.1036 5.1036 5.2424 5.2424 9.2264 9.2264 9.7463 9.7463 10.3394 10.3394 10.4909 10.4909 10.5348 10.5348 10.5776 10.5776 k = 0.1333 0.2309-0.0000 ( 21561 PWs) bands (ev): -14.4880 -14.4880 -14.4556 -14.4556 -10.6407 -10.6407 -10.0169 -10.0169 -9.9868 -9.9868 -9.9682 -9.9682 -9.7750 -9.7750 -9.7537 -9.7537 -3.3685 -3.3685 -3.2372 -3.2372 -2.0748 -2.0748 -2.0287 -2.0287 -1.8285 -1.8285 -1.8112 -1.8112 -0.7501 -0.7501 -0.1579 -0.1579 0.2363 0.2363 0.8021 0.8021 0.8940 0.8940 1.0841 1.0841 1.1488 1.1488 1.2869 1.2869 1.4242 1.4242 1.4343 1.4343 1.4545 1.4545 1.6822 1.6822 1.8138 1.8138 2.3297 2.3297 2.4877 2.4877 2.7363 2.7363 2.8406 2.8406 2.9997 2.9997 3.1601 3.1601 3.6285 3.6285 3.6572 3.6572 3.9958 3.9958 4.0466 4.0466 4.1503 4.1503 4.7745 4.7745 4.8375 4.8375 5.1200 5.1200 5.2469 5.2469 9.1510 9.1510 9.7703 9.7703 10.2872 10.2872 10.4590 10.4590 10.4846 10.4846 10.5421 10.5421 k = 0.1222 0.2117-0.0000 ( 21571 PWs) bands (ev): -14.4889 -14.4889 -14.4551 -14.4551 -10.6410 -10.6410 -10.0191 -10.0191 -9.9838 -9.9838 -9.9678 -9.9678 -9.7722 -9.7722 -9.7536 -9.7536 -3.3756 -3.3756 -3.2377 -3.2377 -2.0841 -2.0841 -2.0451 -2.0451 -1.8316 -1.8316 -1.8098 -1.8098 -0.7709 -0.7709 -0.1442 -0.1442 0.2210 0.2210 0.8168 0.8168 0.9015 0.9015 1.0853 1.0853 1.1438 1.1438 1.3011 1.3011 1.4213 1.4213 1.4303 1.4303 1.4501 1.4501 1.7056 1.7056 1.8236 1.8236 2.3440 2.3440 2.5206 2.5206 2.7491 2.7491 2.8450 2.8450 3.0122 3.0122 3.1564 3.1564 3.6284 3.6284 3.6566 3.6566 3.9976 3.9976 4.0454 4.0454 4.1494 4.1494 4.7716 4.7716 4.8348 4.8348 5.1368 5.1368 5.2508 5.2508 9.0794 9.0794 9.7927 9.7927 10.2348 10.2348 10.4236 10.4236 10.4441 10.4441 10.5120 10.5120 k = 0.1111 0.1925-0.0000 ( 21565 PWs) bands (ev): -14.4898 -14.4898 -14.4547 -14.4547 -10.6412 -10.6412 -10.0213 -10.0213 -9.9809 -9.9809 -9.9673 -9.9673 -9.7696 -9.7696 -9.7535 -9.7535 -3.3823 -3.3823 -3.2383 -3.2383 -2.0929 -2.0929 -2.0607 -2.0607 -1.8348 -1.8348 -1.8085 -1.8085 -0.7906 -0.7906 -0.1310 -0.1310 0.2067 0.2067 0.8305 0.8305 0.9083 0.9083 1.0867 1.0867 1.1383 1.1383 1.3157 1.3157 1.4185 1.4185 1.4267 1.4267 1.4458 1.4458 1.7275 1.7275 1.8328 1.8328 2.3580 2.3580 2.5524 2.5524 2.7618 2.7618 2.8494 2.8494 3.0243 3.0243 3.1525 3.1525 3.6282 3.6282 3.6561 3.6561 3.9995 3.9995 4.0440 4.0440 4.1486 4.1486 4.7686 4.7686 4.8321 4.8321 5.1538 5.1538 5.2543 5.2543 9.0122 9.0122 9.8131 9.8131 10.1827 10.1827 10.3826 10.3826 10.4175 10.4175 10.4824 10.4825 k = 0.1000 0.1732-0.0000 ( 21573 PWs) bands (ev): -14.4906 -14.4906 -14.4543 -14.4543 -10.6415 -10.6415 -10.0234 -10.0234 -9.9782 -9.9782 -9.9668 -9.9668 -9.7670 -9.7670 -9.7536 -9.7536 -3.3886 -3.3886 -3.2389 -3.2389 -2.1011 -2.1011 -2.0753 -2.0753 -1.8380 -1.8380 -1.8072 -1.8072 -0.8091 -0.8091 -0.1182 -0.1182 0.1935 0.1935 0.8430 0.8430 0.9146 0.9146 1.0882 1.0882 1.1326 1.1326 1.3303 1.3303 1.4157 1.4157 1.4236 1.4236 1.4416 1.4416 1.7477 1.7477 1.8415 1.8415 2.3716 2.3716 2.5822 2.5822 2.7751 2.7751 2.8538 2.8538 3.0357 3.0357 3.1484 3.1484 3.6281 3.6281 3.6555 3.6555 4.0013 4.0013 4.0426 4.0426 4.1478 4.1478 4.7659 4.7659 4.8296 4.8296 5.1706 5.1706 5.2573 5.2573 8.9498 8.9498 9.8313 9.8313 10.1319 10.1319 10.3441 10.3441 10.3966 10.3966 10.4450 10.4450 k = 0.0889 0.1540-0.0000 ( 21567 PWs) bands (ev): -14.4914 -14.4914 -14.4539 -14.4539 -10.6417 -10.6417 -10.0254 -10.0254 -9.9755 -9.9755 -9.9663 -9.9663 -9.7646 -9.7646 -9.7537 -9.7537 -3.3945 -3.3945 -3.2395 -3.2395 -2.1087 -2.1087 -2.0887 -2.0887 -1.8410 -1.8410 -1.8060 -1.8060 -0.8263 -0.8263 -0.1063 -0.1063 0.1813 0.1813 0.8542 0.8542 0.9207 0.9207 1.0897 1.0897 1.1269 1.1269 1.3444 1.3444 1.4131 1.4131 1.4209 1.4209 1.4376 1.4376 1.7659 1.7659 1.8498 1.8498 2.3845 2.3845 2.6089 2.6089 2.7891 2.7891 2.8581 2.8581 3.0464 3.0464 3.1442 3.1442 3.6281 3.6281 3.6550 3.6550 4.0031 4.0031 4.0413 4.0413 4.1471 4.1471 4.7632 4.7632 4.8272 4.8272 5.1867 5.1867 5.2599 5.2599 8.8924 8.8924 9.8471 9.8471 10.0834 10.0834 10.3099 10.3099 10.3773 10.3773 10.4098 10.4098 k = 0.0778 0.1347-0.0000 ( 21563 PWs) bands (ev): -14.4920 -14.4920 -14.4535 -14.4535 -10.6419 -10.6419 -10.0273 -10.0273 -9.9731 -9.9731 -9.9657 -9.9657 -9.7624 -9.7624 -9.7538 -9.7538 -3.3999 -3.3999 -3.2402 -3.2402 -2.1158 -2.1158 -2.1006 -2.1006 -1.8439 -1.8439 -1.8050 -1.8050 -0.8418 -0.8418 -0.0952 -0.0952 0.1704 0.1704 0.8638 0.8638 0.9265 0.9265 1.0913 1.0913 1.1212 1.1212 1.3577 1.3577 1.4106 1.4106 1.4187 1.4187 1.4338 1.4338 1.7817 1.7817 1.8578 1.8578 2.3966 2.3966 2.6319 2.6319 2.8041 2.8041 2.8621 2.8621 3.0562 3.0562 3.1400 3.1400 3.6280 3.6280 3.6546 3.6546 4.0046 4.0046 4.0400 4.0400 4.1465 4.1465 4.7608 4.7608 4.8249 4.8249 5.2019 5.2019 5.2622 5.2622 8.8407 8.8407 9.8603 9.8603 10.0382 10.0382 10.2802 10.2802 10.3539 10.3539 10.3838 10.3838 k = 0.0667 0.1155-0.0000 ( 21557 PWs) bands (ev): -14.4926 -14.4926 -14.4533 -14.4533 -10.6421 -10.6421 -10.0290 -10.0290 -9.9710 -9.9710 -9.9652 -9.9652 -9.7604 -9.7604 -9.7540 -9.7540 -3.4046 -3.4046 -3.2408 -3.2408 -2.1223 -2.1223 -2.1108 -2.1108 -1.8465 -1.8465 -1.8041 -1.8041 -0.8556 -0.8556 -0.0853 -0.0853 0.1608 0.1608 0.8719 0.8719 0.9321 0.9321 1.0928 1.0928 1.1158 1.1158 1.3697 1.3697 1.4084 1.4084 1.4170 1.4170 1.4304 1.4304 1.7950 1.7950 1.8654 1.8654 2.4076 2.4076 2.6508 2.6508 2.8199 2.8199 2.8659 2.8659 3.0649 3.0649 3.1357 3.1357 3.6279 3.6279 3.6541 3.6541 4.0059 4.0059 4.0389 4.0389 4.1459 4.1459 4.7586 4.7586 4.8229 4.8229 5.2156 5.2156 5.2644 5.2644 8.7949 8.7949 9.8711 9.8711 9.9972 9.9972 10.2546 10.2546 10.3244 10.3244 10.3690 10.3690 k = 0.0556 0.0962-0.0000 ( 21529 PWs) bands (ev): -14.4931 -14.4931 -14.4530 -14.4530 -10.6423 -10.6423 -10.0305 -10.0305 -9.9691 -9.9691 -9.9646 -9.9646 -9.7587 -9.7587 -9.7541 -9.7541 -3.4088 -3.4088 -3.2413 -3.2413 -2.1285 -2.1285 -2.1191 -2.1191 -1.8488 -1.8488 -1.8033 -1.8033 -0.8676 -0.8676 -0.0765 -0.0765 0.1525 0.1525 0.8785 0.8785 0.9373 0.9373 1.0941 1.0941 1.1109 1.1109 1.3802 1.3802 1.4066 1.4066 1.4159 1.4159 1.4273 1.4273 1.8058 1.8058 1.8726 1.8726 2.4173 2.4173 2.6656 2.6656 2.8357 2.8357 2.8694 2.8694 3.0724 3.0724 3.1315 3.1315 3.6278 3.6278 3.6538 3.6538 4.0069 4.0069 4.0380 4.0380 4.1455 4.1455 4.7567 4.7567 4.8212 4.8212 5.2274 5.2274 5.2667 5.2667 8.7555 8.7555 9.8795 9.8795 9.9613 9.9613 10.2326 10.2326 10.2952 10.2952 10.3598 10.3598 k = 0.0444 0.0770-0.0000 ( 21549 PWs) bands (ev): -14.4935 -14.4935 -14.4528 -14.4528 -10.6424 -10.6424 -10.0317 -10.0317 -9.9676 -9.9676 -9.9641 -9.9641 -9.7573 -9.7573 -9.7543 -9.7543 -3.4122 -3.4122 -3.2418 -3.2418 -2.1343 -2.1343 -2.1253 -2.1253 -1.8507 -1.8507 -1.8027 -1.8027 -0.8775 -0.8775 -0.0692 -0.0692 0.1457 0.1457 0.8836 0.8836 0.9420 0.9420 1.0953 1.0953 1.1067 1.1067 1.3886 1.3886 1.4051 1.4051 1.4153 1.4153 1.4246 1.4246 1.8142 1.8142 1.8792 1.8792 2.4256 2.4256 2.6768 2.6768 2.8505 2.8505 2.8726 2.8726 3.0786 3.0786 3.1276 3.1276 3.6277 3.6277 3.6534 3.6534 4.0076 4.0076 4.0373 4.0373 4.1451 4.1451 4.7551 4.7551 4.8197 4.8197 5.2368 5.2368 5.2691 5.2691 8.7227 8.7227 9.8859 9.8859 9.9310 9.9310 10.2140 10.2140 10.2698 10.2698 10.3533 10.3533 k = 0.0333 0.0577-0.0000 ( 21555 PWs) bands (ev): -14.4939 -14.4939 -14.4527 -14.4527 -10.6425 -10.6425 -10.0327 -10.0327 -9.9665 -9.9665 -9.9635 -9.9635 -9.7562 -9.7562 -9.7544 -9.7544 -3.4150 -3.4150 -3.2422 -3.2422 -2.1394 -2.1394 -2.1296 -2.1296 -1.8522 -1.8522 -1.8022 -1.8022 -0.8853 -0.8853 -0.0633 -0.0633 0.1403 0.1403 0.8875 0.8875 0.9459 0.9459 1.0960 1.0960 1.1034 1.1034 1.3947 1.3947 1.4039 1.4039 1.4155 1.4155 1.4225 1.4225 1.8203 1.8203 1.8848 1.8848 2.4323 2.4323 2.6848 2.6848 2.8626 2.8626 2.8762 2.8762 3.0834 3.0834 3.1241 3.1241 3.6277 3.6277 3.6532 3.6532 4.0080 4.0080 4.0368 4.0368 4.1449 4.1449 4.7538 4.7538 4.8185 4.8185 5.2437 5.2437 5.2718 5.2718 8.6969 8.6969 9.8904 9.8904 9.9069 9.9069 10.1987 10.1987 10.2498 10.2498 10.3484 10.3484 k = 0.0222 0.0385-0.0000 ( 21557 PWs) bands (ev): -14.4941 -14.4941 -14.4525 -14.4525 -10.6426 -10.6426 -10.0334 -10.0334 -9.9658 -9.9658 -9.9631 -9.9631 -9.7553 -9.7553 -9.7545 -9.7545 -3.4169 -3.4169 -3.2425 -3.2425 -2.1433 -2.1433 -2.1325 -2.1325 -1.8534 -1.8534 -1.8018 -1.8018 -0.8910 -0.8910 -0.0590 -0.0590 0.1364 0.1364 0.8902 0.8902 0.9488 0.9488 1.0963 1.0963 1.1012 1.1012 1.3984 1.3984 1.4031 1.4031 1.4165 1.4165 1.4209 1.4209 1.8245 1.8245 1.8891 1.8891 2.4371 2.4371 2.6901 2.6901 2.8698 2.8698 2.8811 2.8811 3.0869 3.0869 3.1214 3.1214 3.6277 3.6277 3.6530 3.6530 4.0083 4.0083 4.0366 4.0366 4.1447 4.1447 4.7529 4.7529 4.8177 4.8177 5.2480 5.2480 5.2744 5.2744 8.6783 8.6783 9.8892 9.8892 9.8935 9.8935 10.1870 10.1870 10.2358 10.2358 10.3448 10.3448 k = 0.0111 0.0192-0.0000 ( 21565 PWs) bands (ev): -14.4942 -14.4942 -14.4525 -14.4525 -10.6426 -10.6426 -10.0338 -10.0338 -9.9654 -9.9654 -9.9627 -9.9627 -9.7549 -9.7549 -9.7546 -9.7546 -3.4181 -3.4181 -3.2427 -3.2427 -2.1458 -2.1458 -2.1342 -2.1342 -1.8540 -1.8540 -1.8016 -1.8016 -0.8944 -0.8944 -0.0564 -0.0564 0.1341 0.1341 0.8917 0.8917 0.9507 0.9507 1.0961 1.0961 1.1003 1.1003 1.4002 1.4002 1.4026 1.4026 1.4177 1.4177 1.4197 1.4197 1.8269 1.8269 1.8918 1.8918 2.4401 2.4401 2.6931 2.6931 2.8726 2.8726 2.8860 2.8860 3.0889 3.0889 3.1197 3.1197 3.6276 3.6276 3.6529 3.6529 4.0084 4.0084 4.0364 4.0364 4.1446 4.1446 4.7524 4.7524 4.8172 4.8172 5.2504 5.2504 5.2763 5.2763 8.6671 8.6671 9.8787 9.8787 9.8952 9.8952 10.1795 10.1795 10.2275 10.2275 10.3426 10.3426 k = 0.0000 0.0000 0.0000 ( 21577 PWs) bands (ev): -14.4943 -14.4943 -14.4525 -14.4525 -10.6426 -10.6426 -10.0340 -10.0340 -9.9653 -9.9653 -9.9626 -9.9626 -9.7548 -9.7548 -9.7545 -9.7545 -3.4185 -3.4185 -3.2428 -3.2428 -2.1466 -2.1466 -2.1347 -2.1347 -1.8543 -1.8543 -1.8016 -1.8016 -0.8955 -0.8955 -0.0556 -0.0556 0.1333 0.1333 0.8922 0.8922 0.9513 0.9513 1.0959 1.0959 1.1001 1.1001 1.4007 1.4007 1.4025 1.4025 1.4185 1.4185 1.4190 1.4190 1.8277 1.8277 1.8927 1.8927 2.4411 2.4411 2.6941 2.6941 2.8734 2.8734 2.8879 2.8879 3.0896 3.0896 3.1191 3.1191 3.6276 3.6276 3.6528 3.6528 4.0084 4.0084 4.0364 4.0364 4.1445 4.1445 4.7522 4.7522 4.8170 4.8170 5.2511 5.2511 5.2770 5.2770 8.6633 8.6633 9.8752 9.8752 9.8957 9.8957 10.1769 10.1769 10.2249 10.2249 10.3419 10.3419 k = 0.0000 0.0000 0.0000 ( 21577 PWs) bands (ev): -14.4943 -14.4943 -14.4525 -14.4525 -10.6426 -10.6426 -10.0340 -10.0340 -9.9653 -9.9653 -9.9626 -9.9626 -9.7548 -9.7548 -9.7545 -9.7545 -3.4185 -3.4185 -3.2428 -3.2428 -2.1466 -2.1466 -2.1347 -2.1347 -1.8543 -1.8543 -1.8016 -1.8016 -0.8955 -0.8955 -0.0556 -0.0556 0.1333 0.1333 0.8922 0.8922 0.9513 0.9513 1.0959 1.0959 1.1001 1.1001 1.4007 1.4007 1.4025 1.4025 1.4185 1.4185 1.4190 1.4190 1.8277 1.8277 1.8927 1.8927 2.4411 2.4411 2.6941 2.6941 2.8734 2.8734 2.8879 2.8879 3.0896 3.0896 3.1191 3.1191 3.6276 3.6276 3.6528 3.6528 4.0084 4.0084 4.0364 4.0364 4.1445 4.1445 4.7522 4.7522 4.8170 4.8170 5.2511 5.2511 5.2770 5.2770 8.6633 8.6633 9.8752 9.8752 9.8957 9.8957 10.1769 10.1769 10.2249 10.2249 10.3419 10.3419 k = 0.0000 0.0000 0.0223 ( 21572 PWs) bands (ev): -14.4942 -14.4942 -14.4525 -14.4525 -10.6422 -10.6422 -10.0346 -10.0346 -9.9651 -9.9651 -9.9624 -9.9624 -9.7550 -9.7550 -9.7547 -9.7547 -3.4184 -3.4184 -3.2430 -3.2430 -2.1466 -2.1466 -2.1342 -2.1342 -1.8547 -1.8547 -1.8025 -1.8025 -0.8938 -0.8938 -0.0632 -0.0632 0.1418 0.1418 0.8924 0.8924 0.9515 0.9515 1.0955 1.0955 1.0999 1.0999 1.3887 1.3887 1.4037 1.4037 1.4134 1.4134 1.4324 1.4324 1.8299 1.8299 1.8947 1.8947 2.4416 2.4416 2.6921 2.6921 2.8676 2.8676 2.8881 2.8881 3.0893 3.0893 3.1241 3.1241 3.6281 3.6281 3.6536 3.6536 4.0082 4.0082 4.0360 4.0360 4.1441 4.1441 4.7527 4.7527 4.8173 4.8173 5.2504 5.2504 5.2762 5.2762 8.6677 8.6677 9.8307 9.8307 9.9394 9.9394 10.1772 10.1772 10.2253 10.2253 10.3275 10.3275 k = 0.0000 0.0000 0.0447 ( 21566 PWs) bands (ev): -14.4941 -14.4941 -14.4525 -14.4525 -10.6410 -10.6410 -10.0365 -10.0365 -9.9645 -9.9645 -9.9619 -9.9619 -9.7555 -9.7555 -9.7552 -9.7552 -3.4180 -3.4180 -3.2438 -3.2438 -2.1465 -2.1465 -2.1327 -2.1327 -1.8561 -1.8561 -1.8052 -1.8052 -0.8885 -0.8885 -0.0828 -0.0828 0.1639 0.1639 0.8930 0.8930 0.9521 0.9521 1.0944 1.0944 1.0994 1.0994 1.3750 1.3750 1.3873 1.3873 1.4239 1.4239 1.4445 1.4445 1.8364 1.8364 1.9007 1.9007 2.4430 2.4430 2.6855 2.6855 2.8526 2.8526 2.8889 2.8889 3.0880 3.0880 3.1382 3.1382 3.6296 3.6296 3.6558 3.6558 4.0076 4.0076 4.0350 4.0350 4.1430 4.1430 4.7542 4.7542 4.8183 4.8183 5.2482 5.2482 5.2740 5.2740 8.6807 8.6807 9.7771 9.7771 9.9905 9.9905 10.1778 10.1778 10.2265 10.2265 10.2887 10.2887 k = 0.0000 0.0000 0.0670 ( 21566 PWs) bands (ev): -14.4939 -14.4939 -14.4527 -14.4527 -10.6389 -10.6389 -10.0396 -10.0396 -9.9636 -9.9636 -9.9610 -9.9610 -9.7563 -9.7563 -9.7560 -9.7560 -3.4174 -3.4174 -3.2451 -3.2451 -2.1465 -2.1465 -2.1302 -2.1302 -1.8584 -1.8584 -1.8097 -1.8097 -0.8799 -0.8799 -0.1089 -0.1089 0.1941 0.1941 0.8939 0.8939 0.9531 0.9531 1.0928 1.0928 1.0986 1.0986 1.3605 1.3605 1.3699 1.3699 1.4331 1.4331 1.4549 1.4549 1.8471 1.8471 1.9106 1.9106 2.4455 2.4455 2.6722 2.6722 2.8335 2.8335 2.8902 2.8902 3.0853 3.0853 3.1585 3.1585 3.6320 3.6320 3.6595 3.6595 4.0064 4.0064 4.0334 4.0334 4.1412 4.1412 4.7568 4.7568 4.8200 4.8200 5.2447 5.2447 5.2703 5.2703 8.7023 8.7023 9.7235 9.7235 10.0401 10.0401 10.1776 10.1776 10.2286 10.2286 10.2342 10.2342 k = 0.0000 0.0000 0.0894 ( 21548 PWs) bands (ev): -14.4935 -14.4935 -14.4528 -14.4528 -10.6359 -10.6359 -10.0440 -10.0440 -9.9624 -9.9624 -9.9597 -9.9597 -9.7575 -9.7575 -9.7572 -9.7572 -3.4165 -3.4165 -3.2468 -3.2468 -2.1464 -2.1464 -2.1267 -2.1267 -1.8616 -1.8616 -1.8158 -1.8158 -0.8681 -0.8681 -0.1375 -0.1375 0.2287 0.2287 0.8952 0.8952 0.9545 0.9545 1.0906 1.0906 1.0976 1.0976 1.3454 1.3454 1.3516 1.3516 1.4408 1.4408 1.4634 1.4634 1.8618 1.8618 1.9243 1.9243 2.4489 2.4489 2.6496 2.6496 2.8161 2.8161 2.8920 2.8920 3.0813 3.0813 3.1822 3.1822 3.6353 3.6353 3.6646 3.6646 4.0049 4.0049 4.0310 4.0310 4.1386 4.1386 4.7603 4.7603 4.8222 4.8222 5.2399 5.2399 5.2652 5.2652 8.7321 8.7321 9.6708 9.6708 10.0878 10.0878 10.1672 10.1672 10.1718 10.1718 10.2096 10.2096 k = 0.0000 0.0000 0.1117 ( 21554 PWs) bands (ev): -14.4931 -14.4931 -14.4530 -14.4530 -10.6321 -10.6321 -10.0496 -10.0496 -9.9607 -9.9607 -9.9581 -9.9581 -9.7591 -9.7591 -9.7588 -9.7588 -3.4154 -3.4154 -3.2491 -3.2491 -2.1462 -2.1462 -2.1224 -2.1224 -1.8657 -1.8657 -1.8233 -1.8233 -0.8533 -0.8533 -0.1668 -0.1668 0.2656 0.2656 0.8968 0.8968 0.9564 0.9564 1.0883 1.0883 1.0965 1.0965 1.3298 1.3298 1.3326 1.3326 1.4469 1.4469 1.4700 1.4700 1.8803 1.8803 1.9417 1.9417 2.4534 2.4534 2.6161 2.6161 2.8037 2.8037 2.8942 2.8942 3.0759 3.0759 3.2076 3.2076 3.6395 3.6395 3.6710 3.6710 4.0029 4.0029 4.0280 4.0280 4.1354 4.1354 4.7647 4.7647 4.8251 4.8251 5.2337 5.2337 5.2588 5.2588 8.7699 8.7699 9.6198 9.6198 10.1063 10.1063 10.1166 10.1166 10.1332 10.1332 10.1962 10.1962 k = 0.0000 0.0000 0.1340 ( 21608 PWs) bands (ev): -14.4926 -14.4926 -14.4533 -14.4533 -10.6275 -10.6275 -10.0564 -10.0564 -9.9588 -9.9588 -9.9562 -9.9562 -9.7609 -9.7609 -9.7606 -9.7606 -3.4141 -3.4141 -3.2518 -3.2518 -2.1459 -2.1459 -2.1173 -2.1173 -1.8706 -1.8706 -1.8319 -1.8319 -0.8359 -0.8359 -0.1954 -0.1954 0.3036 0.3036 0.8987 0.8987 0.9585 0.9585 1.0859 1.0859 1.0953 1.0953 1.3131 1.3131 1.3139 1.3139 1.4515 1.4515 1.4747 1.4747 1.9023 1.9023 1.9624 1.9624 2.4587 2.4587 2.5725 2.5725 2.7968 2.7968 2.8967 2.8967 3.0694 3.0694 3.2336 3.2336 3.6444 3.6444 3.6786 3.6786 4.0005 4.0005 4.0243 4.0243 4.1314 4.1314 4.7701 4.7701 4.8285 4.8285 5.2262 5.2262 5.2510 5.2510 8.8154 8.8154 9.5710 9.5710 10.0407 10.0407 10.0523 10.0523 10.1763 10.1763 10.1976 10.1976 k = 0.0000 0.0000 0.1564 ( 21596 PWs) bands (ev): -14.4920 -14.4920 -14.4536 -14.4536 -10.6221 -10.6221 -10.0643 -10.0643 -9.9564 -9.9564 -9.9539 -9.9539 -9.7631 -9.7631 -9.7628 -9.7628 -3.4126 -3.4126 -3.2549 -3.2549 -2.1456 -2.1456 -2.1116 -2.1116 -1.8763 -1.8763 -1.8416 -1.8416 -0.8161 -0.8161 -0.2228 -0.2228 0.3421 0.3421 0.9009 0.9009 0.9611 0.9611 1.0837 1.0837 1.0943 1.0943 1.2931 1.2931 1.2980 1.2980 1.4543 1.4543 1.4773 1.4773 1.9276 1.9276 1.9862 1.9862 2.4650 2.4650 2.5208 2.5208 2.7941 2.7941 2.8995 2.8995 3.0617 3.0617 3.2598 3.2598 3.6501 3.6501 3.6873 3.6873 3.9976 3.9976 4.0198 4.0198 4.1269 4.1269 4.7762 4.7762 4.8324 4.8324 5.2176 5.2176 5.2420 5.2420 8.8679 8.8679 9.5250 9.5250 9.9768 9.9768 9.9884 9.9884 10.2013 10.2013 10.2160 10.2160 k = 0.0000 0.0000 0.1787 ( 21584 PWs) bands (ev): -14.4913 -14.4913 -14.4539 -14.4539 -10.6159 -10.6159 -10.0732 -10.0732 -9.9538 -9.9538 -9.9513 -9.9513 -9.7656 -9.7656 -9.7653 -9.7653 -3.4109 -3.4109 -3.2584 -3.2584 -2.1451 -2.1451 -2.1053 -2.1053 -1.8828 -1.8828 -1.8519 -1.8519 -0.7942 -0.7942 -0.2484 -0.2484 0.3807 0.3807 0.9033 0.9033 0.9640 0.9640 1.0819 1.0819 1.0935 1.0935 1.2730 1.2730 1.2820 1.2820 1.4555 1.4555 1.4779 1.4779 1.9558 1.9558 2.0130 2.0130 2.4630 2.4630 2.4723 2.4723 2.7942 2.7942 2.9024 2.9024 3.0529 3.0529 3.2859 3.2859 3.6565 3.6565 3.6969 3.6969 3.9942 3.9942 4.0146 4.0146 4.1217 4.1217 4.7830 4.7830 4.8368 4.8368 5.2079 5.2079 5.2318 5.2318 8.9271 8.9271 9.4823 9.4823 9.9158 9.9158 9.9272 9.9272 10.2057 10.2057 10.2413 10.2413 k = 0.0000 0.0000 0.2011 ( 21584 PWs) bands (ev): -14.4905 -14.4905 -14.4543 -14.4543 -10.6088 -10.6088 -10.0833 -10.0833 -9.9508 -9.9508 -9.9483 -9.9483 -9.7684 -9.7684 -9.7681 -9.7681 -3.4090 -3.4090 -3.2623 -3.2623 -2.1444 -2.1444 -2.0986 -2.0986 -1.8900 -1.8900 -1.8629 -1.8629 -0.7706 -0.7706 -0.2719 -0.2719 0.4190 0.4190 0.9059 0.9059 0.9672 0.9672 1.0807 1.0807 1.0930 1.0930 1.2528 1.2528 1.2661 1.2661 1.4549 1.4549 1.4765 1.4765 1.9865 1.9865 2.0425 2.0425 2.4004 2.4004 2.4805 2.4805 2.7959 2.7959 2.9053 2.9053 3.0430 3.0430 3.3119 3.3119 3.6634 3.6634 3.7074 3.7074 3.9905 3.9905 4.0087 4.0087 4.1160 4.1160 4.7904 4.7904 4.8415 4.8415 5.1973 5.1973 5.2206 5.2206 8.9923 8.9923 9.4435 9.4435 9.8586 9.8586 9.8698 9.8698 10.2102 10.2102 10.2480 10.2480 k = 0.0000 0.0000 0.2234 ( 21596 PWs) bands (ev): -14.4896 -14.4896 -14.4547 -14.4547 -10.6010 -10.6010 -10.0943 -10.0943 -9.9475 -9.9475 -9.9451 -9.9451 -9.7716 -9.7716 -9.7712 -9.7712 -3.4070 -3.4070 -3.2665 -3.2665 -2.1435 -2.1435 -2.0917 -2.0917 -1.8978 -1.8978 -1.8741 -1.8741 -0.7457 -0.7457 -0.2931 -0.2931 0.4570 0.4570 0.9087 0.9087 0.9707 0.9707 1.0804 1.0804 1.0929 1.0929 1.2326 1.2326 1.2505 1.2505 1.4526 1.4526 1.4732 1.4732 2.0196 2.0196 2.0744 2.0744 2.3342 2.3342 2.4895 2.4895 2.7985 2.7985 2.9079 2.9079 3.0321 3.0321 3.3377 3.3377 3.6709 3.6709 3.7187 3.7187 3.9862 3.9862 4.0019 4.0019 4.1098 4.1098 4.7984 4.7984 4.8466 4.8466 5.1857 5.1857 5.2084 5.2084 9.0629 9.0629 9.4090 9.4090 9.8058 9.8058 9.8169 9.8169 10.2143 10.2143 10.2518 10.2518 k = 0.0000 0.0000 0.2458 ( 21584 PWs) bands (ev): -14.4887 -14.4887 -14.4552 -14.4552 -10.5924 -10.5924 -10.1063 -10.1063 -9.9439 -9.9439 -9.9416 -9.9416 -9.7750 -9.7750 -9.7746 -9.7746 -3.4048 -3.4048 -3.2710 -3.2710 -2.1423 -2.1423 -2.0846 -2.0846 -1.9062 -1.9062 -1.8855 -1.8855 -0.7196 -0.7196 -0.3118 -0.3118 0.4944 0.4944 0.9116 0.9116 0.9744 0.9744 1.0811 1.0811 1.0934 1.0934 1.2127 1.2127 1.2353 1.2353 1.4488 1.4488 1.4680 1.4680 2.0547 2.0547 2.1084 2.1084 2.2649 2.2649 2.4995 2.4995 2.8015 2.8015 2.9102 2.9102 3.0203 3.0203 3.3633 3.3633 3.6789 3.6789 3.7305 3.7305 3.9815 3.9815 3.9944 3.9944 4.1030 4.1030 4.8069 4.8069 4.8520 4.8520 5.1733 5.1733 5.1954 5.1954 9.1383 9.1383 9.3791 9.3791 9.7581 9.7581 9.7691 9.7691 10.2177 10.2177 10.2541 10.2541 k = 0.0000 0.0000 0.2681 ( 21584 PWs) bands (ev): -14.4877 -14.4877 -14.4557 -14.4557 -10.5830 -10.5830 -10.1191 -10.1191 -9.9401 -9.9401 -9.9377 -9.9377 -9.7787 -9.7787 -9.7782 -9.7782 -3.4024 -3.4024 -3.2757 -3.2757 -2.1409 -2.1409 -2.0775 -2.0775 -1.9151 -1.9151 -1.8969 -1.8969 -0.6928 -0.6928 -0.3279 -0.3279 0.5312 0.5312 0.9146 0.9146 0.9783 0.9783 1.0829 1.0829 1.0946 1.0946 1.1930 1.1930 1.2207 1.2207 1.4433 1.4433 1.4611 1.4611 2.0914 2.0914 2.1443 2.1443 2.1934 2.1934 2.5103 2.5103 2.8044 2.8044 2.9118 2.9118 3.0076 3.0076 3.3889 3.3889 3.6873 3.6873 3.7428 3.7428 3.9763 3.9763 3.9861 3.9861 4.0958 4.0958 4.8157 4.8157 4.8576 4.8576 5.1603 5.1603 5.1817 5.1817 9.2176 9.2176 9.3543 9.3543 9.7159 9.7159 9.7268 9.7268 10.2198 10.2198 10.2548 10.2548 k = 0.0000 0.0000 0.2904 ( 21608 PWs) bands (ev): -14.4867 -14.4867 -14.4563 -14.4563 -10.5729 -10.5729 -10.1327 -10.1327 -9.9359 -9.9359 -9.9336 -9.9336 -9.7827 -9.7827 -9.7822 -9.7822 -3.3999 -3.3999 -3.2806 -3.2806 -2.1391 -2.1391 -2.0706 -2.0706 -1.9245 -1.9245 -1.9081 -1.9081 -0.6655 -0.6655 -0.3414 -0.3414 0.5674 0.5674 0.9178 0.9178 0.9823 0.9823 1.0859 1.0859 1.0963 1.0963 1.1738 1.1738 1.2067 1.2067 1.4363 1.4363 1.4526 1.4526 2.1201 2.1201 2.1295 2.1295 2.1818 2.1818 2.5219 2.5219 2.8068 2.8068 2.9126 2.9126 2.9941 2.9941 3.4143 3.4143 3.6961 3.6961 3.7556 3.7556 3.9707 3.9707 3.9769 3.9769 4.0882 4.0882 4.8247 4.8247 4.8633 4.8633 5.1467 5.1467 5.1673 5.1673 9.3001 9.3001 9.3350 9.3350 9.6795 9.6795 9.6903 9.6903 10.2202 10.2202 10.2532 10.2532 k = 0.0000 0.0000 0.3128 ( 21608 PWs) bands (ev): -14.4856 -14.4856 -14.4569 -14.4569 -10.5621 -10.5621 -10.1471 -10.1471 -9.9315 -9.9315 -9.9293 -9.9293 -9.7869 -9.7869 -9.7864 -9.7864 -3.3973 -3.3973 -3.2857 -3.2857 -2.1370 -2.1370 -2.0639 -2.0639 -1.9343 -1.9343 -1.9190 -1.9190 -0.6382 -0.6382 -0.3523 -0.3523 0.6031 0.6031 0.9212 0.9212 0.9864 0.9864 1.0902 1.0902 1.0986 1.0986 1.1550 1.1550 1.1936 1.1936 1.4279 1.4279 1.4425 1.4425 2.0456 2.0456 2.1687 2.1687 2.2206 2.2206 2.5343 2.5343 2.8084 2.8084 2.9123 2.9123 2.9798 2.9798 3.4397 3.4397 3.7053 3.7053 3.7686 3.7686 3.9646 3.9646 3.9668 3.9668 4.0802 4.0802 4.8340 4.8340 4.8692 4.8692 5.1327 5.1327 5.1525 5.1525 9.3212 9.3212 9.3848 9.3848 9.6493 9.6493 9.6600 9.6600 10.2180 10.2180 10.2488 10.2488 k = 0.0000 0.0000 0.3351 ( 21656 PWs) bands (ev): -14.4845 -14.4845 -14.4576 -14.4576 -10.5506 -10.5506 -10.1621 -10.1621 -9.9268 -9.9268 -9.9247 -9.9247 -9.7914 -9.7914 -9.7908 -9.7908 -3.3946 -3.3946 -3.2909 -3.2909 -2.1345 -2.1345 -2.0576 -2.0576 -1.9445 -1.9445 -1.9295 -1.9295 -0.6109 -0.6109 -0.3608 -0.3608 0.6383 0.6383 0.9248 0.9248 0.9906 0.9906 1.0957 1.0957 1.1014 1.1014 1.1368 1.1368 1.1816 1.1816 1.4183 1.4183 1.4312 1.4312 1.9703 1.9703 2.2088 2.2088 2.2604 2.2604 2.5475 2.5475 2.8088 2.8088 2.9107 2.9107 2.9648 2.9648 3.4650 3.4650 3.7148 3.7148 3.7819 3.7819 3.9558 3.9558 3.9580 3.9580 4.0717 4.0717 4.8433 4.8433 4.8752 4.8752 5.1183 5.1183 5.1373 5.1373 9.3134 9.3134 9.4704 9.4704 9.6255 9.6255 9.6361 9.6361 10.2128 10.2128 10.2409 10.2409 k = 0.0000 0.0000 0.3575 ( 21632 PWs) bands (ev): -14.4833 -14.4833 -14.4583 -14.4583 -10.5384 -10.5384 -10.1777 -10.1777 -9.9219 -9.9219 -9.9199 -9.9199 -9.7961 -9.7961 -9.7955 -9.7955 -3.3918 -3.3918 -3.2961 -3.2961 -2.1316 -2.1316 -2.0517 -2.0517 -1.9548 -1.9548 -1.9396 -1.9396 -0.5841 -0.5841 -0.3670 -0.3670 0.6731 0.6731 0.9287 0.9287 0.9947 0.9947 1.1025 1.1025 1.1041 1.1041 1.1193 1.1193 1.1714 1.1714 1.4074 1.4074 1.4186 1.4186 1.8947 1.8947 2.2493 2.2493 2.3011 2.3011 2.5614 2.5614 2.8078 2.8078 2.9075 2.9075 2.9492 2.9492 3.4903 3.4903 3.7246 3.7246 3.7954 3.7954 3.9440 3.9440 3.9510 3.9510 4.0629 4.0629 4.8528 4.8528 4.8813 4.8813 5.1039 5.1039 5.1219 5.1219 9.3116 9.3116 9.5547 9.5547 9.6094 9.6094 9.6187 9.6187 10.2038 10.2038 10.2288 10.2288 k = 0.0000 0.0000 0.3798 ( 21632 PWs) bands (ev): -14.4821 -14.4821 -14.4591 -14.4591 -10.5256 -10.5256 -10.1939 -10.1939 -9.9168 -9.9168 -9.9148 -9.9148 -9.8010 -9.8010 -9.8004 -9.8004 -3.3888 -3.3888 -3.3015 -3.3015 -2.1282 -2.1282 -2.0463 -2.0463 -1.9654 -1.9654 -1.9491 -1.9491 -0.5581 -0.5581 -0.3711 -0.3711 0.7079 0.7079 0.9330 0.9330 0.9989 0.9989 1.1024 1.1024 1.1060 1.1060 1.1105 1.1105 1.1636 1.1636 1.3956 1.3956 1.4050 1.4050 1.8191 1.8191 2.2901 2.2901 2.3422 2.3422 2.5760 2.5760 2.8051 2.8051 2.9025 2.9025 2.9331 2.9331 3.5155 3.5155 3.7347 3.7347 3.8090 3.8090 3.9312 3.9312 3.9435 3.9435 4.0537 4.0537 4.8623 4.8623 4.8875 4.8875 5.0893 5.0893 5.1064 5.1064 9.3161 9.3161 9.5941 9.5941 9.6079 9.6079 9.6429 9.6429 10.1904 10.1904 10.2120 10.2120 k = 0.0000 0.0000 0.4021 ( 21638 PWs) bands (ev): -14.4808 -14.4808 -14.4599 -14.4599 -10.5121 -10.5121 -10.2105 -10.2105 -9.9115 -9.9115 -9.9096 -9.9096 -9.8061 -9.8061 -9.8054 -9.8054 -3.3857 -3.3857 -3.3068 -3.3068 -2.1243 -2.1243 -2.0414 -2.0414 -1.9761 -1.9761 -1.9580 -1.9580 -0.5330 -0.5330 -0.3735 -0.3735 0.7426 0.7426 0.9379 0.9379 1.0031 1.0031 1.0862 1.0862 1.1059 1.1059 1.1197 1.1197 1.1597 1.1597 1.3828 1.3828 1.3904 1.3904 1.7441 1.7441 2.3308 2.3308 2.3836 2.3836 2.5913 2.5913 2.8004 2.8004 2.8954 2.8954 2.9165 2.9165 3.5407 3.5407 3.7452 3.7452 3.8227 3.8227 3.9176 3.9176 3.9356 3.9356 4.0442 4.0442 4.8719 4.8719 4.8938 4.8938 5.0748 5.0748 5.0909 5.0909 9.3269 9.3269 9.5914 9.5914 9.6038 9.6038 9.7208 9.7208 10.1721 10.1721 10.1900 10.1900 k = 0.0000 0.0000 0.4245 ( 21638 PWs) bands (ev): -14.4796 -14.4796 -14.4608 -14.4608 -10.4981 -10.4981 -10.2275 -10.2275 -9.9061 -9.9061 -9.9042 -9.9042 -9.8114 -9.8114 -9.8107 -9.8107 -3.3825 -3.3825 -3.3122 -3.3122 -2.1200 -2.1200 -2.0369 -2.0369 -1.9868 -1.9868 -1.9662 -1.9662 -0.5092 -0.5092 -0.3746 -0.3746 0.7774 0.7774 0.9436 0.9436 1.0073 1.0073 1.0708 1.0708 1.1028 1.1028 1.1300 1.1300 1.1604 1.1604 1.3692 1.3692 1.3752 1.3752 1.6701 1.6701 2.3712 2.3712 2.4249 2.4249 2.6072 2.6072 2.7936 2.7936 2.8862 2.8862 2.8994 2.8994 3.5657 3.5657 3.7558 3.7558 3.8364 3.8364 3.9030 3.9030 3.9272 3.9272 4.0343 4.0343 4.8815 4.8815 4.9002 4.9002 5.0605 5.0605 5.0754 5.0754 9.3440 9.3440 9.5940 9.5940 9.6062 9.6062 9.7921 9.7921 10.1485 10.1485 10.1626 10.1626 k = 0.0000 0.0000 0.4468 ( 21620 PWs) bands (ev): -14.4783 -14.4783 -14.4617 -14.4617 -10.4835 -10.4835 -10.2448 -10.2448 -9.9004 -9.9004 -9.8987 -9.8987 -9.8169 -9.8169 -9.8161 -9.8161 -3.3792 -3.3792 -3.3175 -3.3175 -2.1151 -2.1151 -2.0328 -2.0328 -1.9975 -1.9975 -1.9738 -1.9738 -0.4868 -0.4868 -0.3747 -0.3747 0.8124 0.8124 0.9506 0.9506 1.0116 1.0116 1.0561 1.0561 1.0973 1.0973 1.1413 1.1413 1.1652 1.1652 1.3550 1.3550 1.3593 1.3593 1.5974 1.5974 2.4111 2.4111 2.4659 2.4659 2.6237 2.6237 2.7845 2.7845 2.8745 2.8745 2.8820 2.8820 3.5905 3.5905 3.7668 3.7668 3.8501 3.8501 3.8875 3.8875 3.9183 3.9183 4.0240 4.0240 4.8911 4.8911 4.9067 4.9067 5.0465 5.0465 5.0602 5.0602 9.3675 9.3675 9.6030 9.6030 9.6150 9.6150 9.8509 9.8509 10.1198 10.1198 10.1300 10.1300 k = 0.0000 0.0000 0.4692 ( 21596 PWs) bands (ev): -14.4770 -14.4770 -14.4627 -14.4627 -10.4683 -10.4683 -10.2623 -10.2623 -9.8947 -9.8947 -9.8930 -9.8930 -9.8226 -9.8226 -9.8217 -9.8217 -3.3757 -3.3757 -3.3227 -3.3227 -2.1097 -2.1097 -2.0292 -2.0292 -2.0081 -2.0081 -1.9807 -1.9807 -0.4662 -0.4662 -0.3743 -0.3743 0.8471 0.8471 0.9595 0.9595 1.0160 1.0160 1.0422 1.0422 1.0904 1.0904 1.1535 1.1535 1.1730 1.1730 1.3403 1.3403 1.3429 1.3429 1.5263 1.5263 2.4500 2.4500 2.5063 2.5063 2.6408 2.6408 2.7729 2.7729 2.8604 2.8604 2.8642 2.8642 3.6151 3.6151 3.7779 3.7779 3.8638 3.8638 3.8710 3.8710 3.9091 3.9091 4.0134 4.0134 4.9009 4.9009 4.9135 4.9135 5.0329 5.0329 5.0453 5.0453 9.3973 9.3973 9.6181 9.6181 9.6301 9.6301 9.8904 9.8904 10.0861 10.0861 10.0925 10.0925 k = 0.0000 0.0000 0.4915 ( 21602 PWs) bands (ev): -14.4757 -14.4757 -14.4637 -14.4637 -10.4527 -10.4527 -10.2800 -10.2800 -9.8888 -9.8888 -9.8872 -9.8872 -9.8283 -9.8283 -9.8274 -9.8274 -3.3721 -3.3721 -3.3279 -3.3279 -2.1038 -2.1038 -2.0258 -2.0258 -2.0185 -2.0185 -1.9870 -1.9870 -0.4475 -0.4475 -0.3739 -0.3739 0.8803 0.8803 0.9720 0.9720 1.0206 1.0206 1.0290 1.0290 1.0828 1.0828 1.1667 1.1667 1.1829 1.1829 1.3253 1.3253 1.3262 1.3262 1.4574 1.4574 2.4878 2.4878 2.5458 2.5458 2.6583 2.6583 2.7588 2.7588 2.8437 2.8437 2.8461 2.8461 3.6395 3.6395 3.7892 3.7892 3.8537 3.8537 3.8774 3.8774 3.8994 3.8994 4.0025 4.0025 4.9108 4.9108 4.9206 4.9206 5.0197 5.0197 5.0307 5.0307 9.4331 9.4331 9.6393 9.6393 9.6511 9.6511 9.9042 9.9042 10.0480 10.0480 10.0510 10.0510 k = 0.0000 0.0000 0.5138 ( 21554 PWs) bands (ev): -14.4744 -14.4744 -14.4648 -14.4648 -10.4366 -10.4366 -10.2978 -10.2978 -9.8828 -9.8828 -9.8813 -9.8813 -9.8342 -9.8342 -9.8332 -9.8332 -3.3683 -3.3683 -3.3329 -3.3329 -2.0973 -2.0973 -2.0287 -2.0287 -2.0226 -2.0226 -1.9927 -1.9927 -0.4308 -0.4308 -0.3739 -0.3739 0.9094 0.9094 0.9912 0.9912 1.0165 1.0165 1.0254 1.0254 1.0752 1.0752 1.1806 1.1806 1.1943 1.1943 1.3092 1.3092 1.3100 1.3100 1.3909 1.3909 2.5241 2.5241 2.5842 2.5842 2.6764 2.6764 2.7422 2.7422 2.8245 2.8245 2.8276 2.8276 3.6635 3.6635 3.8006 3.8006 3.8355 3.8355 3.8894 3.8894 3.8908 3.8908 3.9912 3.9912 4.9210 4.9210 4.9280 4.9280 5.0071 5.0071 5.0166 5.0166 9.4747 9.4747 9.6660 9.6660 9.6775 9.6775 9.8905 9.8905 10.0063 10.0063 10.0065 10.0065 k = 0.0000 0.0000 0.5362 ( 21578 PWs) bands (ev): -14.4731 -14.4731 -14.4659 -14.4659 -10.4202 -10.4202 -10.3157 -10.3157 -9.8768 -9.8768 -9.8753 -9.8753 -9.8402 -9.8402 -9.8391 -9.8391 -3.3644 -3.3644 -3.3379 -3.3379 -2.0904 -2.0904 -2.0387 -2.0387 -2.0196 -2.0196 -1.9978 -1.9978 -0.4163 -0.4163 -0.3748 -0.3748 0.9317 0.9317 1.0046 1.0046 1.0201 1.0201 1.0304 1.0304 1.0678 1.0678 1.1952 1.1952 1.2068 1.2068 1.2918 1.2918 1.2945 1.2945 1.3274 1.3274 2.5589 2.5589 2.6213 2.6213 2.6948 2.6948 2.7231 2.7231 2.8026 2.8026 2.8089 2.8089 3.6871 3.6871 3.8120 3.8120 3.8165 3.8165 3.8790 3.8790 3.9042 3.9042 3.9796 3.9796 4.9314 4.9314 4.9359 4.9359 4.9950 4.9950 5.0029 5.0029 9.5218 9.5218 9.6980 9.6980 9.7091 9.7091 9.8545 9.8545 9.9596 9.9596 9.9625 9.9625 k = 0.0000 0.0000 0.5585 ( 21608 PWs) bands (ev): -14.4719 -14.4719 -14.4670 -14.4670 -10.4034 -10.4034 -10.3335 -10.3335 -9.8707 -9.8707 -9.8693 -9.8693 -9.8462 -9.8462 -9.8451 -9.8451 -3.3604 -3.3604 -3.3427 -3.3427 -2.0829 -2.0829 -2.0483 -2.0483 -2.0165 -2.0165 -2.0023 -2.0023 -0.4041 -0.4041 -0.3770 -0.3770 0.9477 0.9477 0.9933 0.9933 1.0358 1.0358 1.0584 1.0584 1.0607 1.0607 1.2105 1.2105 1.2202 1.2202 1.2635 1.2635 1.2777 1.2777 1.2791 1.2791 2.5918 2.5918 2.6567 2.6567 2.7016 2.7016 2.7135 2.7135 2.7781 2.7781 2.7899 2.7899 3.7102 3.7102 3.7967 3.7967 3.8235 3.8235 3.8684 3.8684 3.9173 3.9173 3.9677 3.9677 4.9422 4.9422 4.9443 4.9443 4.9836 4.9836 4.9897 4.9897 9.5736 9.5736 9.7345 9.7345 9.7450 9.7450 9.8044 9.8044 9.9120 9.9120 9.9172 9.9172 k = 0.0000 0.0000 0.5809 ( 21602 PWs) bands (ev): -14.4706 -14.4706 -14.4682 -14.4682 -10.3862 -10.3862 -10.3512 -10.3512 -9.8646 -9.8646 -9.8632 -9.8632 -9.8523 -9.8523 -9.8511 -9.8511 -3.3562 -3.3562 -3.3473 -3.3473 -2.0749 -2.0749 -2.0576 -2.0576 -2.0134 -2.0134 -2.0063 -2.0063 -0.3941 -0.3941 -0.3807 -0.3807 0.9603 0.9603 0.9824 0.9824 1.0414 1.0414 1.0539 1.0539 1.1034 1.1034 1.2074 1.2074 1.2263 1.2263 1.2342 1.2342 1.2593 1.2593 1.2638 1.2638 2.6226 2.6226 2.6776 2.6776 2.6903 2.6903 2.7325 2.7325 2.7511 2.7511 2.7708 2.7708 3.7328 3.7328 3.7761 3.7761 3.8349 3.8349 3.8574 3.8574 3.9303 3.9303 3.9555 3.9555 4.9532 4.9532 4.9533 4.9533 4.9728 4.9728 4.9771 4.9771 9.6295 9.6295 9.7473 9.7473 9.7750 9.7750 9.7846 9.7846 9.8647 9.8647 9.8717 9.8717 k = 0.0000 0.0000 0.6032 ( 21608 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.3688 -10.3688 -10.3688 -10.3688 -9.8584 -9.8584 -9.8584 -9.8584 -9.8572 -9.8572 -9.8572 -9.8572 -3.3518 -3.3518 -3.3518 -3.3518 -2.0665 -2.0665 -2.0665 -2.0665 -2.0100 -2.0100 -2.0100 -2.0100 -0.3864 -0.3864 -0.3864 -0.3864 0.9716 0.9716 0.9716 0.9716 1.0475 1.0475 1.0475 1.0475 1.1534 1.1534 1.1534 1.1534 1.2426 1.2426 1.2426 1.2426 1.2488 1.2488 1.2488 1.2488 2.6513 2.6513 2.6513 2.6513 2.7218 2.7218 2.7218 2.7218 2.7516 2.7516 2.7516 2.7516 3.7548 3.7548 3.7548 3.7548 3.8463 3.8463 3.8463 3.8463 3.9430 3.9430 3.9430 3.9430 4.9627 4.9627 4.9627 4.9627 4.9650 4.9650 4.9650 4.9650 9.6880 9.6880 9.6880 9.6880 9.8187 9.8187 9.8187 9.8187 9.8272 9.8272 9.8272 9.8272 k = 0.0000 0.0000 0.6032 ( 21608 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.3688 -10.3688 -10.3688 -10.3688 -9.8584 -9.8584 -9.8584 -9.8584 -9.8572 -9.8572 -9.8572 -9.8572 -3.3518 -3.3518 -3.3518 -3.3518 -2.0665 -2.0665 -2.0665 -2.0665 -2.0100 -2.0100 -2.0100 -2.0100 -0.3864 -0.3864 -0.3864 -0.3864 0.9716 0.9716 0.9716 0.9716 1.0475 1.0475 1.0475 1.0475 1.1534 1.1534 1.1534 1.1534 1.2426 1.2426 1.2426 1.2426 1.2488 1.2488 1.2488 1.2488 2.6513 2.6513 2.6513 2.6513 2.7218 2.7218 2.7218 2.7218 2.7516 2.7516 2.7516 2.7516 3.7548 3.7548 3.7548 3.7548 3.8463 3.8463 3.8463 3.8463 3.9430 3.9430 3.9430 3.9430 4.9627 4.9627 4.9627 4.9627 4.9650 4.9650 4.9650 4.9650 9.6880 9.6880 9.6880 9.6880 9.8187 9.8187 9.8187 9.8187 9.8272 9.8272 9.8272 9.8272 k = 0.0192 0.0111 0.6032 ( 21632 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.3687 -10.3687 -10.3687 -10.3687 -9.8586 -9.8586 -9.8586 -9.8586 -9.8573 -9.8573 -9.8573 -9.8573 -3.3515 -3.3515 -3.3515 -3.3515 -2.0660 -2.0660 -2.0660 -2.0660 -2.0095 -2.0095 -2.0095 -2.0095 -0.3859 -0.3859 -0.3859 -0.3859 0.9706 0.9706 0.9706 0.9706 1.0461 1.0461 1.0461 1.0461 1.1544 1.1544 1.1544 1.1544 1.2425 1.2425 1.2425 1.2425 1.2488 1.2488 1.2488 1.2488 2.6504 2.6504 2.6504 2.6504 2.7210 2.7210 2.7210 2.7210 2.7507 2.7507 2.7507 2.7507 3.7550 3.7550 3.7550 3.7550 3.8462 3.8462 3.8462 3.8462 3.9431 3.9431 3.9431 3.9431 4.9623 4.9623 4.9623 4.9623 4.9647 4.9647 4.9647 4.9647 9.6896 9.6896 9.6896 9.6896 9.8210 9.8210 9.8210 9.8210 9.8295 9.8295 9.8295 9.8295 k = 0.0385 0.0222 0.6032 ( 21654 PWs) bands (ev): -14.4693 -14.4693 -14.4693 -14.4693 -10.3683 -10.3683 -10.3683 -10.3683 -9.8591 -9.8591 -9.8591 -9.8591 -9.8575 -9.8575 -9.8575 -9.8575 -3.3507 -3.3507 -3.3507 -3.3507 -2.0644 -2.0644 -2.0644 -2.0644 -2.0079 -2.0079 -2.0079 -2.0079 -0.3845 -0.3845 -0.3845 -0.3845 0.9678 0.9678 0.9678 0.9678 1.0421 1.0421 1.0421 1.0421 1.1570 1.1570 1.1570 1.1570 1.2421 1.2421 1.2421 1.2421 1.2486 1.2486 1.2486 1.2486 2.6479 2.6479 2.6479 2.6479 2.7186 2.7186 2.7186 2.7186 2.7480 2.7480 2.7480 2.7480 3.7556 3.7556 3.7556 3.7556 3.8461 3.8461 3.8461 3.8461 3.9433 3.9433 3.9433 3.9433 4.9608 4.9608 4.9608 4.9608 4.9642 4.9642 4.9642 4.9642 9.6945 9.6945 9.6945 9.6945 9.8276 9.8276 9.8276 9.8276 9.8366 9.8366 9.8366 9.8366 k = 0.0577 0.0333 0.6032 ( 21654 PWs) bands (ev): -14.4693 -14.4693 -14.4693 -14.4693 -10.3677 -10.3677 -10.3677 -10.3677 -9.8602 -9.8602 -9.8602 -9.8602 -9.8578 -9.8578 -9.8578 -9.8578 -3.3493 -3.3493 -3.3493 -3.3493 -2.0619 -2.0619 -2.0619 -2.0619 -2.0052 -2.0052 -2.0052 -2.0052 -0.3822 -0.3822 -0.3822 -0.3822 0.9629 0.9629 0.9629 0.9629 1.0365 1.0365 1.0365 1.0365 1.1606 1.1606 1.1606 1.1606 1.2415 1.2415 1.2415 1.2415 1.2485 1.2485 1.2485 1.2485 2.6436 2.6436 2.6436 2.6436 2.7146 2.7146 2.7146 2.7146 2.7436 2.7436 2.7436 2.7436 3.7566 3.7566 3.7566 3.7566 3.8460 3.8460 3.8460 3.8460 3.9437 3.9437 3.9437 3.9437 4.9578 4.9578 4.9578 4.9578 4.9639 4.9639 4.9639 4.9639 9.7025 9.7025 9.7025 9.7025 9.8384 9.8384 9.8384 9.8384 9.8488 9.8488 9.8488 9.8488 k = 0.0769 0.0444 0.6032 ( 21642 PWs) bands (ev): -14.4692 -14.4692 -14.4692 -14.4692 -10.3669 -10.3669 -10.3669 -10.3669 -9.8617 -9.8617 -9.8617 -9.8617 -9.8579 -9.8579 -9.8579 -9.8579 -3.3473 -3.3473 -3.3473 -3.3473 -2.0585 -2.0585 -2.0585 -2.0585 -2.0014 -2.0014 -2.0014 -2.0014 -0.3790 -0.3790 -0.3790 -0.3790 0.9554 0.9554 0.9554 0.9554 1.0302 1.0302 1.0302 1.0302 1.1648 1.1648 1.1648 1.1648 1.2406 1.2406 1.2406 1.2406 1.2484 1.2484 1.2484 1.2484 2.6373 2.6373 2.6373 2.6373 2.7093 2.7093 2.7093 2.7093 2.7377 2.7377 2.7377 2.7377 3.7579 3.7579 3.7579 3.7579 3.8458 3.8458 3.8458 3.8458 3.9443 3.9443 3.9443 3.9443 4.9535 4.9535 4.9535 4.9535 4.9636 4.9636 4.9636 4.9636 9.7134 9.7134 9.7134 9.7134 9.8532 9.8532 9.8532 9.8532 9.8661 9.8661 9.8661 9.8661 k = 0.0962 0.0555 0.6032 ( 21642 PWs) bands (ev): -14.4691 -14.4691 -14.4691 -14.4691 -10.3658 -10.3658 -10.3658 -10.3658 -9.8638 -9.8638 -9.8638 -9.8638 -9.8581 -9.8581 -9.8581 -9.8581 -3.3449 -3.3449 -3.3449 -3.3449 -2.0542 -2.0542 -2.0542 -2.0542 -1.9965 -1.9965 -1.9965 -1.9965 -0.3749 -0.3749 -0.3749 -0.3749 0.9452 0.9452 0.9452 0.9452 1.0240 1.0240 1.0240 1.0240 1.1688 1.1688 1.1688 1.1688 1.2395 1.2395 1.2395 1.2395 1.2484 1.2484 1.2484 1.2484 2.6290 2.6290 2.6290 2.6290 2.7027 2.7027 2.7027 2.7027 2.7308 2.7308 2.7308 2.7308 3.7596 3.7596 3.7596 3.7596 3.8455 3.8455 3.8455 3.8455 3.9451 3.9451 3.9451 3.9451 4.9480 4.9480 4.9480 4.9480 4.9633 4.9633 4.9633 4.9633 9.7270 9.7270 9.7270 9.7270 9.8719 9.8719 9.8719 9.8719 9.8884 9.8884 9.8884 9.8884 k = 0.1154 0.0666 0.6032 ( 21632 PWs) bands (ev): -14.4690 -14.4690 -14.4690 -14.4690 -10.3645 -10.3645 -10.3645 -10.3645 -9.8663 -9.8663 -9.8663 -9.8663 -9.8582 -9.8582 -9.8582 -9.8582 -3.3419 -3.3419 -3.3419 -3.3419 -2.0491 -2.0491 -2.0491 -2.0491 -1.9906 -1.9906 -1.9906 -1.9906 -0.3700 -0.3700 -0.3700 -0.3700 0.9323 0.9323 0.9323 0.9323 1.0183 1.0183 1.0183 1.0183 1.1723 1.1723 1.1723 1.1723 1.2383 1.2383 1.2383 1.2383 1.2486 1.2486 1.2486 1.2486 2.6184 2.6184 2.6184 2.6184 2.6948 2.6948 2.6948 2.6948 2.7233 2.7233 2.7233 2.7233 3.7615 3.7615 3.7615 3.7615 3.8451 3.8451 3.8451 3.8451 3.9460 3.9460 3.9460 3.9460 4.9415 4.9415 4.9415 4.9415 4.9630 4.9630 4.9630 4.9630 9.7432 9.7432 9.7432 9.7432 9.8947 9.8947 9.8947 9.8947 9.9155 9.9155 9.9155 9.9155 k = 0.1346 0.0777 0.6032 ( 21620 PWs) bands (ev): -14.4688 -14.4688 -14.4688 -14.4688 -10.3630 -10.3630 -10.3630 -10.3630 -9.8692 -9.8692 -9.8692 -9.8692 -9.8584 -9.8584 -9.8584 -9.8584 -3.3386 -3.3386 -3.3386 -3.3386 -2.0434 -2.0434 -2.0434 -2.0434 -1.9836 -1.9836 -1.9836 -1.9836 -0.3644 -0.3644 -0.3644 -0.3644 0.9168 0.9168 0.9168 0.9168 1.0134 1.0134 1.0134 1.0134 1.1749 1.1749 1.1749 1.1749 1.2372 1.2372 1.2372 1.2372 1.2489 1.2489 1.2489 1.2489 2.6057 2.6057 2.6057 2.6057 2.6854 2.6854 2.6854 2.6854 2.7158 2.7158 2.7158 2.7158 3.7637 3.7637 3.7637 3.7637 3.8447 3.8447 3.8447 3.8447 3.9471 3.9471 3.9471 3.9471 4.9341 4.9341 4.9341 4.9341 4.9626 4.9626 4.9626 4.9626 9.7617 9.7617 9.7617 9.7617 9.9217 9.9217 9.9217 9.9217 9.9469 9.9469 9.9469 9.9469 k = 0.1538 0.0888 0.6032 ( 21618 PWs) bands (ev): -14.4687 -14.4687 -14.4687 -14.4687 -10.3613 -10.3613 -10.3613 -10.3613 -9.8725 -9.8725 -9.8725 -9.8725 -9.8586 -9.8586 -9.8586 -9.8586 -3.3348 -3.3348 -3.3348 -3.3348 -2.0372 -2.0372 -2.0372 -2.0372 -1.9756 -1.9756 -1.9756 -1.9756 -0.3580 -0.3580 -0.3580 -0.3580 0.8994 0.8994 0.8994 0.8994 1.0090 1.0090 1.0090 1.0090 1.1762 1.1762 1.1762 1.1762 1.2365 1.2365 1.2365 1.2365 1.2493 1.2493 1.2493 1.2493 2.5909 2.5909 2.5909 2.5909 2.6744 2.6744 2.6744 2.6744 2.7087 2.7087 2.7087 2.7087 3.7661 3.7661 3.7661 3.7661 3.8443 3.8443 3.8443 3.8443 3.9483 3.9483 3.9483 3.9483 4.9259 4.9259 4.9259 4.9259 4.9622 4.9622 4.9622 4.9622 9.7822 9.7822 9.7822 9.7822 9.9528 9.9528 9.9528 9.9528 9.9822 9.9822 9.9822 9.9822 k = 0.1731 0.0999 0.6032 ( 21610 PWs) bands (ev): -14.4685 -14.4685 -14.4685 -14.4685 -10.3595 -10.3595 -10.3595 -10.3595 -9.8760 -9.8760 -9.8760 -9.8760 -9.8588 -9.8588 -9.8588 -9.8588 -3.3308 -3.3308 -3.3308 -3.3308 -2.0306 -2.0306 -2.0306 -2.0306 -1.9666 -1.9666 -1.9666 -1.9666 -0.3511 -0.3511 -0.3511 -0.3511 0.8803 0.8803 0.8803 0.8803 1.0051 1.0051 1.0051 1.0051 1.1762 1.1762 1.1762 1.1762 1.2362 1.2362 1.2362 1.2362 1.2499 1.2499 1.2499 1.2499 2.5742 2.5742 2.5742 2.5742 2.6620 2.6620 2.6620 2.6620 2.7023 2.7023 2.7023 2.7023 3.7686 3.7686 3.7686 3.7686 3.8438 3.8438 3.8438 3.8438 3.9497 3.9497 3.9497 3.9497 4.9170 4.9170 4.9170 4.9170 4.9618 4.9618 4.9618 4.9618 9.8046 9.8046 9.8046 9.8046 9.9878 9.9878 9.9878 9.9878 10.0211 10.0211 10.0211 10.0211 k = 0.1923 0.1110 0.6032 ( 21626 PWs) bands (ev): -14.4683 -14.4683 -14.4683 -14.4683 -10.3575 -10.3575 -10.3575 -10.3575 -9.8798 -9.8798 -9.8798 -9.8798 -9.8590 -9.8590 -9.8590 -9.8590 -3.3265 -3.3265 -3.3265 -3.3265 -2.0237 -2.0237 -2.0237 -2.0237 -1.9568 -1.9568 -1.9568 -1.9568 -0.3436 -0.3436 -0.3436 -0.3436 0.8601 0.8601 0.8601 0.8601 1.0014 1.0014 1.0014 1.0014 1.1747 1.1747 1.1747 1.1747 1.2364 1.2364 1.2364 1.2364 1.2506 1.2506 1.2506 1.2506 2.5560 2.5560 2.5560 2.5560 2.6483 2.6483 2.6483 2.6483 2.6965 2.6965 2.6965 2.6965 3.7711 3.7711 3.7711 3.7711 3.8433 3.8433 3.8433 3.8433 3.9512 3.9512 3.9512 3.9512 4.9076 4.9076 4.9076 4.9076 4.9614 4.9614 4.9614 4.9614 9.8288 9.8288 9.8288 9.8288 10.0266 10.0266 10.0266 10.0266 10.0631 10.0631 10.0631 10.0631 k = 0.2115 0.1221 0.6032 ( 21622 PWs) bands (ev): -14.4681 -14.4681 -14.4681 -14.4681 -10.3553 -10.3553 -10.3553 -10.3553 -9.8839 -9.8839 -9.8839 -9.8839 -9.8592 -9.8592 -9.8592 -9.8592 -3.3219 -3.3219 -3.3219 -3.3219 -2.0167 -2.0167 -2.0167 -2.0167 -1.9462 -1.9462 -1.9462 -1.9462 -0.3357 -0.3357 -0.3357 -0.3357 0.8392 0.8392 0.8392 0.8392 0.9979 0.9979 0.9979 0.9979 1.1719 1.1719 1.1719 1.1719 1.2371 1.2371 1.2371 1.2371 1.2514 1.2514 1.2514 1.2514 2.5366 2.5366 2.5366 2.5366 2.6338 2.6338 2.6338 2.6338 2.6912 2.6912 2.6912 2.6912 3.7737 3.7737 3.7737 3.7737 3.8428 3.8428 3.8428 3.8428 3.9528 3.9528 3.9528 3.9528 4.8978 4.8978 4.8978 4.8978 4.9609 4.9609 4.9609 4.9609 9.8544 9.8544 9.8544 9.8544 10.0689 10.0689 10.0689 10.0689 10.1077 10.1077 10.1077 10.1077 k = 0.2308 0.1332 0.6032 ( 21618 PWs) bands (ev): -14.4679 -14.4679 -14.4679 -14.4679 -10.3531 -10.3531 -10.3531 -10.3531 -9.8881 -9.8881 -9.8881 -9.8881 -9.8594 -9.8594 -9.8594 -9.8594 -3.3173 -3.3173 -3.3173 -3.3173 -2.0095 -2.0095 -2.0095 -2.0095 -1.9349 -1.9349 -1.9349 -1.9349 -0.3275 -0.3275 -0.3275 -0.3275 0.8179 0.8179 0.8179 0.8179 0.9945 0.9945 0.9945 0.9945 1.1679 1.1679 1.1679 1.1679 1.2381 1.2381 1.2381 1.2381 1.2524 1.2524 1.2524 1.2524 2.5164 2.5164 2.5164 2.5164 2.6187 2.6187 2.6187 2.6187 2.6863 2.6863 2.6863 2.6863 3.7761 3.7761 3.7761 3.7761 3.8424 3.8424 3.8424 3.8424 3.9544 3.9544 3.9544 3.9544 4.8878 4.8878 4.8878 4.8878 4.9604 4.9604 4.9604 4.9604 9.8814 9.8814 9.8814 9.8814 10.1143 10.1143 10.1143 10.1143 10.1544 10.1544 10.1544 10.1544 k = 0.2500 0.1443 0.6032 ( 21640 PWs) bands (ev): -14.4677 -14.4677 -14.4677 -14.4677 -10.3508 -10.3508 -10.3508 -10.3508 -9.8924 -9.8924 -9.8924 -9.8924 -9.8597 -9.8597 -9.8597 -9.8597 -3.3125 -3.3125 -3.3125 -3.3125 -2.0024 -2.0024 -2.0024 -2.0024 -1.9231 -1.9231 -1.9231 -1.9231 -0.3190 -0.3190 -0.3190 -0.3190 0.7966 0.7966 0.7966 0.7966 0.9911 0.9911 0.9911 0.9911 1.1629 1.1629 1.1629 1.1629 1.2393 1.2393 1.2393 1.2393 1.2534 1.2534 1.2534 1.2534 2.4956 2.4956 2.4956 2.4956 2.6033 2.6033 2.6033 2.6033 2.6818 2.6818 2.6818 2.6818 3.7785 3.7785 3.7785 3.7785 3.8421 3.8421 3.8421 3.8421 3.9562 3.9562 3.9562 3.9562 4.8777 4.8777 4.8777 4.8777 4.9599 4.9599 4.9599 4.9599 9.9094 9.9094 9.9094 9.9094 10.1626 10.1626 10.1626 10.1626 10.2027 10.2027 10.2027 10.2027 k = 0.2692 0.1554 0.6032 ( 21638 PWs) bands (ev): -14.4675 -14.4675 -14.4675 -14.4675 -10.3484 -10.3484 -10.3484 -10.3484 -9.8967 -9.8967 -9.8967 -9.8967 -9.8599 -9.8599 -9.8599 -9.8599 -3.3078 -3.3078 -3.3078 -3.3078 -1.9953 -1.9953 -1.9953 -1.9953 -1.9111 -1.9111 -1.9111 -1.9111 -0.3105 -0.3105 -0.3105 -0.3105 0.7755 0.7755 0.7755 0.7755 0.9878 0.9878 0.9878 0.9878 1.1572 1.1572 1.1572 1.1572 1.2407 1.2407 1.2407 1.2407 1.2545 1.2545 1.2545 1.2545 2.4748 2.4748 2.4748 2.4748 2.5881 2.5881 2.5881 2.5881 2.6776 2.6776 2.6776 2.6776 3.7806 3.7806 3.7806 3.7806 3.8420 3.8420 3.8420 3.8420 3.9579 3.9579 3.9579 3.9579 4.8677 4.8677 4.8677 4.8677 4.9594 4.9594 4.9594 4.9594 9.9381 9.9381 9.9381 9.9381 10.2132 10.2132 10.2132 10.2132 10.2519 10.2519 10.2519 10.2519 k = 0.2885 0.1665 0.6032 ( 21638 PWs) bands (ev): -14.4673 -14.4673 -14.4673 -14.4673 -10.3460 -10.3460 -10.3460 -10.3460 -9.9010 -9.9010 -9.9010 -9.9010 -9.8601 -9.8601 -9.8601 -9.8601 -3.3031 -3.3031 -3.3031 -3.3031 -1.9885 -1.9885 -1.9885 -1.9885 -1.8989 -1.8989 -1.8989 -1.8989 -0.3021 -0.3021 -0.3021 -0.3021 0.7550 0.7550 0.7550 0.7550 0.9845 0.9845 0.9845 0.9845 1.1510 1.1510 1.1510 1.1510 1.2421 1.2421 1.2421 1.2421 1.2556 1.2556 1.2556 1.2556 2.4542 2.4542 2.4542 2.4542 2.5731 2.5731 2.5731 2.5731 2.6736 2.6736 2.6736 2.6736 3.7825 3.7825 3.7825 3.7825 3.8420 3.8420 3.8420 3.8420 3.9596 3.9596 3.9596 3.9596 4.8579 4.8579 4.8579 4.8579 4.9589 4.9589 4.9589 4.9589 9.9673 9.9673 9.9673 9.9673 10.2658 10.2658 10.2658 10.2658 10.3015 10.3015 10.3015 10.3015 k = 0.3077 0.1776 0.6032 ( 21618 PWs) bands (ev): -14.4672 -14.4672 -14.4672 -14.4672 -10.3437 -10.3437 -10.3437 -10.3437 -9.9053 -9.9053 -9.9053 -9.9053 -9.8603 -9.8603 -9.8603 -9.8603 -3.2986 -3.2986 -3.2986 -3.2986 -1.9819 -1.9819 -1.9819 -1.9819 -1.8868 -1.8868 -1.8868 -1.8868 -0.2939 -0.2939 -0.2939 -0.2939 0.7353 0.7353 0.7353 0.7353 0.9813 0.9813 0.9813 0.9813 1.1445 1.1445 1.1445 1.1445 1.2434 1.2434 1.2434 1.2434 1.2567 1.2567 1.2567 1.2567 2.4341 2.4341 2.4341 2.4341 2.5587 2.5587 2.5587 2.5587 2.6699 2.6699 2.6699 2.6699 3.7841 3.7841 3.7841 3.7841 3.8422 3.8422 3.8422 3.8422 3.9613 3.9613 3.9613 3.9613 4.8484 4.8484 4.8484 4.8484 4.9585 4.9585 4.9585 4.9585 9.9966 9.9966 9.9966 9.9966 10.3198 10.3198 10.3198 10.3198 10.3508 10.3508 10.3508 10.3508 k = 0.3269 0.1887 0.6032 ( 21608 PWs) bands (ev): -14.4670 -14.4670 -14.4670 -14.4670 -10.3414 -10.3414 -10.3414 -10.3414 -9.9094 -9.9094 -9.9094 -9.9094 -9.8605 -9.8605 -9.8605 -9.8605 -3.2943 -3.2943 -3.2943 -3.2943 -1.9757 -1.9757 -1.9757 -1.9757 -1.8750 -1.8750 -1.8750 -1.8750 -0.2860 -0.2860 -0.2860 -0.2860 0.7168 0.7168 0.7168 0.7168 0.9782 0.9782 0.9782 0.9782 1.1378 1.1378 1.1378 1.1378 1.2447 1.2447 1.2447 1.2447 1.2579 1.2579 1.2579 1.2579 2.4149 2.4149 2.4149 2.4149 2.5450 2.5450 2.5450 2.5450 2.6665 2.6665 2.6665 2.6665 3.7855 3.7855 3.7855 3.7855 3.8426 3.8426 3.8426 3.8426 3.9630 3.9630 3.9630 3.9630 4.8394 4.8394 4.8394 4.8394 4.9580 4.9580 4.9580 4.9580 10.0255 10.0255 10.0255 10.0255 10.3746 10.3746 10.3746 10.3746 10.3994 10.3994 10.3994 10.3994 k = 0.3462 0.1999 0.6032 ( 21588 PWs) bands (ev): -14.4668 -14.4668 -14.4668 -14.4668 -10.3392 -10.3392 -10.3392 -10.3392 -9.9132 -9.9132 -9.9132 -9.9132 -9.8607 -9.8607 -9.8607 -9.8607 -3.2902 -3.2902 -3.2902 -3.2902 -1.9699 -1.9699 -1.9699 -1.9699 -1.8637 -1.8637 -1.8637 -1.8637 -0.2786 -0.2786 -0.2786 -0.2786 0.6996 0.6996 0.6996 0.6996 0.9752 0.9752 0.9752 0.9752 1.1312 1.1312 1.1312 1.1312 1.2459 1.2459 1.2459 1.2459 1.2589 1.2589 1.2589 1.2589 2.3969 2.3969 2.3969 2.3969 2.5323 2.5323 2.5323 2.5323 2.6634 2.6634 2.6634 2.6634 3.7866 3.7866 3.7866 3.7866 3.8431 3.8431 3.8431 3.8431 3.9645 3.9645 3.9645 3.9645 4.8310 4.8310 4.8310 4.8310 4.9576 4.9576 4.9576 4.9576 10.0536 10.0536 10.0536 10.0536 10.4287 10.4287 10.4287 10.4287 10.4474 10.4474 10.4474 10.4474 k = 0.3654 0.2110 0.6032 ( 21584 PWs) bands (ev): -14.4666 -14.4666 -14.4666 -14.4666 -10.3372 -10.3372 -10.3372 -10.3372 -9.9168 -9.9168 -9.9168 -9.9168 -9.8609 -9.8609 -9.8609 -9.8609 -3.2865 -3.2865 -3.2865 -3.2865 -1.9645 -1.9645 -1.9645 -1.9645 -1.8531 -1.8531 -1.8531 -1.8531 -0.2717 -0.2717 -0.2717 -0.2717 0.6840 0.6840 0.6840 0.6840 0.9725 0.9725 0.9725 0.9725 1.1247 1.1247 1.1247 1.1247 1.2469 1.2469 1.2469 1.2469 1.2599 1.2599 1.2599 1.2599 2.3804 2.3804 2.3804 2.3804 2.5206 2.5206 2.5206 2.5206 2.6605 2.6605 2.6605 2.6605 3.7874 3.7874 3.7874 3.7874 3.8437 3.8437 3.8437 3.8437 3.9659 3.9659 3.9659 3.9659 4.8233 4.8233 4.8233 4.8233 4.9572 4.9572 4.9572 4.9572 10.0804 10.0804 10.0804 10.0804 10.4789 10.4789 10.4789 10.4789 10.4967 10.4967 10.4967 10.4967 k = 0.3846 0.2221 0.6032 ( 21594 PWs) bands (ev): -14.4665 -14.4665 -14.4665 -14.4665 -10.3353 -10.3353 -10.3353 -10.3353 -9.9201 -9.9201 -9.9201 -9.9201 -9.8611 -9.8611 -9.8611 -9.8611 -3.2831 -3.2831 -3.2831 -3.2831 -1.9598 -1.9598 -1.9598 -1.9598 -1.8435 -1.8435 -1.8434 -1.8434 -0.2656 -0.2656 -0.2656 -0.2656 0.6702 0.6702 0.6702 0.6702 0.9700 0.9700 0.9700 0.9700 1.1187 1.1187 1.1187 1.1187 1.2479 1.2479 1.2479 1.2479 1.2609 1.2609 1.2609 1.2609 2.3655 2.3655 2.3655 2.3655 2.5102 2.5102 2.5102 2.5102 2.6580 2.6580 2.6580 2.6580 3.7881 3.7881 3.7881 3.7881 3.8443 3.8443 3.8443 3.8443 3.9672 3.9672 3.9672 3.9672 4.8164 4.8164 4.8164 4.8164 4.9568 4.9568 4.9568 4.9568 10.1052 10.1052 10.1052 10.1052 10.5218 10.5218 10.5218 10.5218 10.5494 10.5494 10.5494 10.5494 k = 0.4038 0.2332 0.6032 ( 21590 PWs) bands (ev): -14.4664 -14.4664 -14.4664 -14.4664 -10.3337 -10.3337 -10.3337 -10.3337 -9.9229 -9.9229 -9.9229 -9.9229 -9.8612 -9.8612 -9.8612 -9.8612 -3.2802 -3.2802 -3.2802 -3.2802 -1.9556 -1.9556 -1.9556 -1.9556 -1.8349 -1.8349 -1.8349 -1.8349 -0.2602 -0.2602 -0.2602 -0.2602 0.6582 0.6582 0.6582 0.6582 0.9678 0.9678 0.9678 0.9678 1.1132 1.1132 1.1132 1.1132 1.2487 1.2487 1.2487 1.2487 1.2617 1.2617 1.2617 1.2617 2.3526 2.3526 2.3526 2.3526 2.5012 2.5012 2.5012 2.5012 2.6559 2.6559 2.6559 2.6559 3.7885 3.7885 3.7885 3.7885 3.8450 3.8450 3.8450 3.8450 3.9683 3.9683 3.9683 3.9683 4.8103 4.8103 4.8103 4.8103 4.9565 4.9565 4.9565 4.9565 10.1276 10.1276 10.1276 10.1276 10.5584 10.5584 10.5584 10.5584 10.6029 10.6029 10.6029 10.6029 k = 0.4231 0.2443 0.6032 ( 21580 PWs) bands (ev): -14.4663 -14.4663 -14.4663 -14.4663 -10.3323 -10.3323 -10.3323 -10.3323 -9.9254 -9.9254 -9.9254 -9.9254 -9.8613 -9.8613 -9.8613 -9.8613 -3.2777 -3.2777 -3.2777 -3.2777 -1.9521 -1.9521 -1.9521 -1.9521 -1.8277 -1.8277 -1.8277 -1.8277 -0.2558 -0.2558 -0.2558 -0.2558 0.6483 0.6483 0.6483 0.6483 0.9659 0.9659 0.9659 0.9659 1.1085 1.1085 1.1085 1.1085 1.2494 1.2494 1.2494 1.2494 1.2624 1.2624 1.2624 1.2624 2.3417 2.3417 2.3417 2.3417 2.4937 2.4937 2.4937 2.4937 2.6541 2.6541 2.6541 2.6541 3.7888 3.7888 3.7888 3.7888 3.8456 3.8456 3.8456 3.8456 3.9693 3.9693 3.9693 3.9693 4.8053 4.8053 4.8053 4.8053 4.9563 4.9563 4.9563 4.9563 10.1468 10.1468 10.1468 10.1468 10.5892 10.5892 10.5892 10.5892 10.6550 10.6550 10.6550 10.6550 k = 0.4423 0.2554 0.6032 ( 21582 PWs) bands (ev): -14.4662 -14.4662 -14.4662 -14.4662 -10.3311 -10.3311 -10.3311 -10.3311 -9.9273 -9.9273 -9.9273 -9.9273 -9.8614 -9.8614 -9.8614 -9.8614 -3.2758 -3.2758 -3.2758 -3.2758 -1.9494 -1.9494 -1.9494 -1.9494 -1.8219 -1.8219 -1.8219 -1.8219 -0.2522 -0.2522 -0.2522 -0.2522 0.6405 0.6405 0.6405 0.6405 0.9644 0.9644 0.9644 0.9644 1.1046 1.1046 1.1046 1.1046 1.2499 1.2499 1.2499 1.2499 1.2629 1.2629 1.2629 1.2629 2.3331 2.3331 2.3331 2.3331 2.4878 2.4878 2.4878 2.4878 2.6526 2.6526 2.6526 2.6526 3.7890 3.7890 3.7890 3.7890 3.8462 3.8462 3.8462 3.8462 3.9700 3.9700 3.9700 3.9700 4.8013 4.8013 4.8013 4.8013 4.9561 4.9561 4.9561 4.9561 10.1625 10.1625 10.1625 10.1625 10.6139 10.6139 10.6139 10.6139 10.7040 10.7040 10.7040 10.7040 k = 0.4615 0.2665 0.6032 ( 21582 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3303 -10.3303 -10.3303 -10.3303 -9.9287 -9.9287 -9.9287 -9.9287 -9.8615 -9.8615 -9.8615 -9.8615 -3.2744 -3.2744 -3.2744 -3.2744 -1.9474 -1.9474 -1.9474 -1.9474 -1.8176 -1.8176 -1.8176 -1.8176 -0.2497 -0.2497 -0.2497 -0.2497 0.6349 0.6349 0.6349 0.6349 0.9633 0.9633 0.9633 0.9633 1.1017 1.1017 1.1017 1.1017 1.2503 1.2503 1.2503 1.2503 1.2633 1.2633 1.2633 1.2633 2.3269 2.3269 2.3269 2.3269 2.4835 2.4835 2.4835 2.4835 2.6516 2.6516 2.6516 2.6516 3.7891 3.7891 3.7891 3.7891 3.8466 3.8466 3.8466 3.8466 3.9706 3.9706 3.9706 3.9706 4.7984 4.7984 4.7984 4.7984 4.9559 4.9559 4.9559 4.9559 10.1741 10.1741 10.1741 10.1741 10.6320 10.6320 10.6320 10.6320 10.7474 10.7474 10.7474 10.7474 k = 0.4808 0.2776 0.6032 ( 21570 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3298 -10.3298 -10.3298 -10.3298 -9.9296 -9.9296 -9.9296 -9.9296 -9.8615 -9.8615 -9.8615 -9.8615 -3.2735 -3.2735 -3.2735 -3.2735 -1.9462 -1.9462 -1.9462 -1.9462 -1.8150 -1.8150 -1.8150 -1.8150 -0.2481 -0.2481 -0.2481 -0.2481 0.6315 0.6315 0.6315 0.6315 0.9627 0.9627 0.9627 0.9627 1.1000 1.1000 1.1000 1.1000 1.2505 1.2505 1.2505 1.2505 1.2636 1.2636 1.2636 1.2636 2.3231 2.3231 2.3231 2.3231 2.4809 2.4809 2.4809 2.4809 2.6510 2.6510 2.6510 2.6510 3.7892 3.7892 3.7892 3.7892 3.8469 3.8469 3.8469 3.8469 3.9709 3.9709 3.9709 3.9709 4.7967 4.7967 4.7967 4.7967 4.9558 4.9558 4.9558 4.9558 10.1813 10.1813 10.1813 10.1813 10.6431 10.6431 10.6431 10.6431 10.7804 10.7804 10.7804 10.7804 k = 0.5000 0.2887 0.6032 ( 21572 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3297 -10.3297 -10.3296 -10.3296 -9.9298 -9.9298 -9.9298 -9.9298 -9.8615 -9.8615 -9.8615 -9.8615 -3.2732 -3.2732 -3.2732 -3.2732 -1.9458 -1.9458 -1.9458 -1.9458 -1.8142 -1.8142 -1.8142 -1.8142 -0.2476 -0.2476 -0.2476 -0.2476 0.6304 0.6304 0.6304 0.6304 0.9625 0.9625 0.9625 0.9625 1.0994 1.0994 1.0994 1.0994 1.2506 1.2506 1.2506 1.2506 1.2637 1.2637 1.2637 1.2637 2.3218 2.3218 2.3218 2.3218 2.4801 2.4801 2.4801 2.4801 2.6508 2.6508 2.6508 2.6508 3.7892 3.7892 3.7892 3.7892 3.8470 3.8470 3.8470 3.8470 3.9710 3.9710 3.9710 3.9710 4.7961 4.7961 4.7961 4.7961 4.9558 4.9558 4.9558 4.9558 10.1837 10.1837 10.1837 10.1837 10.6468 10.6468 10.6468 10.6468 10.7936 10.7936 10.7936 10.7936 k = 0.5000 0.2887 0.6032 ( 21572 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3297 -10.3297 -10.3296 -10.3296 -9.9298 -9.9298 -9.9298 -9.9298 -9.8615 -9.8615 -9.8615 -9.8615 -3.2732 -3.2732 -3.2732 -3.2732 -1.9458 -1.9458 -1.9458 -1.9458 -1.8142 -1.8142 -1.8142 -1.8142 -0.2476 -0.2476 -0.2476 -0.2476 0.6304 0.6304 0.6304 0.6304 0.9625 0.9625 0.9625 0.9625 1.0994 1.0994 1.0994 1.0994 1.2506 1.2506 1.2506 1.2506 1.2637 1.2637 1.2637 1.2637 2.3218 2.3218 2.3218 2.3218 2.4801 2.4801 2.4801 2.4801 2.6508 2.6508 2.6508 2.6508 3.7892 3.7892 3.7892 3.7892 3.8470 3.8470 3.8470 3.8470 3.9710 3.9710 3.9710 3.9710 4.7961 4.7961 4.7961 4.7961 4.9558 4.9558 4.9558 4.9558 10.1837 10.1837 10.1837 10.1837 10.6468 10.6468 10.6468 10.6468 10.7936 10.7936 10.7936 10.7936 k = 0.4889 0.3079 0.6032 ( 21572 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3296 -10.3296 -10.3295 -10.3295 -9.9301 -9.9301 -9.9300 -9.9300 -9.8615 -9.8615 -9.8614 -9.8614 -3.2738 -3.2738 -3.2725 -3.2725 -1.9467 -1.9467 -1.9440 -1.9440 -1.8145 -1.8145 -1.8141 -1.8141 -0.2476 -0.2476 -0.2471 -0.2471 0.6305 0.6305 0.6308 0.6308 0.9566 0.9566 0.9638 0.9638 1.1004 1.1004 1.1017 1.1017 1.2501 1.2501 1.2509 1.2509 1.2625 1.2625 1.2648 1.2648 2.3205 2.3205 2.3238 2.3238 2.4785 2.4785 2.4813 2.4813 2.6490 2.6490 2.6502 2.6502 3.7882 3.7882 3.7907 3.7907 3.8451 3.8451 3.8487 3.8487 3.9692 3.9692 3.9727 3.9727 4.7961 4.7961 4.7969 4.7969 4.9547 4.9547 4.9557 4.9557 10.1826 10.1826 10.1856 10.1856 10.6472 10.6472 10.6508 10.6508 10.7962 10.7962 10.7964 10.7964 k = 0.4778 0.3272 0.6032 ( 21574 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3294 -10.3294 -10.3293 -10.3293 -9.9308 -9.9308 -9.9307 -9.9307 -9.8613 -9.8613 -9.8609 -9.8609 -3.2741 -3.2741 -3.2715 -3.2715 -1.9468 -1.9468 -1.9415 -1.9415 -1.8149 -1.8149 -1.8142 -1.8142 -0.2472 -0.2472 -0.2461 -0.2461 0.6310 0.6310 0.6316 0.6316 0.9468 0.9468 0.9605 0.9605 1.1046 1.1046 1.1066 1.1066 1.2497 1.2497 1.2511 1.2511 1.2614 1.2614 1.2659 1.2659 2.3197 2.3197 2.3264 2.3264 2.4766 2.4766 2.4823 2.4823 2.6449 2.6449 2.6472 2.6472 3.7876 3.7876 3.7927 3.7927 3.8432 3.8432 3.8503 3.8503 3.9672 3.9672 3.9742 3.9742 4.7968 4.7968 4.7983 4.7983 4.9526 4.9526 4.9545 4.9545 10.1823 10.1823 10.1882 10.1882 10.6521 10.6521 10.6592 10.6592 10.8040 10.8040 10.8046 10.8046 k = 0.4667 0.3464 0.6032 ( 21572 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.3291 -10.3291 -10.3289 -10.3289 -9.9319 -9.9319 -9.9317 -9.9317 -9.8609 -9.8609 -9.8604 -9.8604 -3.2742 -3.2742 -3.2703 -3.2703 -1.9461 -1.9461 -1.9381 -1.9381 -1.8155 -1.8155 -1.8145 -1.8145 -0.2463 -0.2463 -0.2446 -0.2446 0.6320 0.6320 0.6330 0.6330 0.9340 0.9340 0.9534 0.9534 1.1114 1.1114 1.1132 1.1132 1.2493 1.2493 1.2510 1.2510 1.2606 1.2606 1.2669 1.2669 2.3195 2.3195 2.3295 2.3295 2.4745 2.4745 2.4829 2.4829 2.6386 2.6386 2.6421 2.6421 3.7876 3.7876 3.7950 3.7950 3.8411 3.8411 3.8517 3.8517 3.9650 3.9651 3.9755 3.9755 4.7983 4.7983 4.8005 4.8005 4.9493 4.9493 4.9523 4.9523 10.1829 10.1829 10.1915 10.1915 10.6614 10.6614 10.6717 10.6717 10.8171 10.8171 10.8178 10.8178 k = 0.4556 0.3657 0.6032 ( 21584 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.3287 -10.3287 -10.3284 -10.3284 -9.9333 -9.9333 -9.9330 -9.9330 -9.8603 -9.8603 -9.8597 -9.8597 -3.2741 -3.2741 -3.2690 -3.2690 -1.9447 -1.9447 -1.9341 -1.9340 -1.8162 -1.8162 -1.8151 -1.8151 -0.2450 -0.2450 -0.2428 -0.2428 0.6335 0.6335 0.6348 0.6348 0.9190 0.9190 0.9433 0.9433 1.1198 1.1198 1.1207 1.1207 1.2491 1.2491 1.2505 1.2505 1.2600 1.2600 1.2678 1.2678 2.3198 2.3198 2.3333 2.3333 2.4722 2.4722 2.4833 2.4833 2.6301 2.6301 2.6350 2.6350 3.7879 3.7879 3.7976 3.7976 3.8390 3.8390 3.8531 3.8531 3.9628 3.9628 3.9767 3.9767 4.8004 4.8004 4.8034 4.8034 4.9451 4.9451 4.9490 4.9490 10.1843 10.1843 10.1954 10.1954 10.6748 10.6748 10.6879 10.6879 10.8353 10.8353 10.8362 10.8362 k = 0.4444 0.3849 0.6032 ( 21584 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.3282 -10.3282 -10.3278 -10.3278 -9.9350 -9.9350 -9.9347 -9.9347 -9.8596 -9.8596 -9.8589 -9.8589 -3.2738 -3.2738 -3.2675 -3.2675 -1.9427 -1.9427 -1.9293 -1.9293 -1.8170 -1.8170 -1.8159 -1.8159 -0.2433 -0.2433 -0.2406 -0.2406 0.6355 0.6355 0.6373 0.6373 0.9026 0.9026 0.9312 0.9312 1.1283 1.1283 1.1290 1.1290 1.2490 1.2490 1.2497 1.2497 1.2596 1.2596 1.2686 1.2686 2.3206 2.3206 2.3376 2.3376 2.4698 2.4698 2.4835 2.4835 2.6196 2.6196 2.6261 2.6261 3.7887 3.7887 3.8005 3.8005 3.8368 3.8368 3.8543 3.8543 3.9605 3.9605 3.9777 3.9777 4.8032 4.8032 4.8068 4.8068 4.9400 4.9400 4.9448 4.9448 10.1864 10.1864 10.1996 10.1996 10.6920 10.6920 10.7075 10.7075 10.8586 10.8586 10.8595 10.8595 k = 0.4333 0.4041 0.6032 ( 21588 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.3275 -10.3275 -10.3271 -10.3271 -9.9369 -9.9369 -9.9365 -9.9365 -9.8589 -9.8589 -9.8580 -9.8580 -3.2734 -3.2734 -3.2659 -3.2659 -1.9400 -1.9400 -1.9241 -1.9241 -1.8179 -1.8179 -1.8169 -1.8169 -0.2414 -0.2414 -0.2381 -0.2381 0.6380 0.6380 0.6404 0.6404 0.8853 0.8853 0.9178 0.9178 1.1357 1.1357 1.1383 1.1383 1.2486 1.2486 1.2492 1.2492 1.2595 1.2595 1.2692 1.2692 2.3217 2.3217 2.3426 2.3426 2.4674 2.4674 2.4836 2.4836 2.6075 2.6075 2.6158 2.6158 3.7898 3.7898 3.8035 3.8035 3.8347 3.8347 3.8555 3.8555 3.9582 3.9582 3.9786 3.9786 4.8066 4.8066 4.8108 4.8108 4.9342 4.9342 4.9398 4.9398 10.1892 10.1892 10.2042 10.2042 10.7125 10.7125 10.7298 10.7298 10.8866 10.8866 10.8874 10.8874 k = 0.4222 0.4234 0.6032 ( 21596 PWs) bands (ev): -14.4659 -14.4659 -14.4659 -14.4659 -10.3269 -10.3269 -10.3263 -10.3263 -9.9388 -9.9388 -9.9385 -9.9385 -9.8581 -9.8581 -9.8572 -9.8572 -3.2728 -3.2728 -3.2643 -3.2643 -1.9370 -1.9370 -1.9184 -1.9184 -1.8188 -1.8188 -1.8180 -1.8180 -0.2392 -0.2392 -0.2355 -0.2355 0.6410 0.6410 0.6442 0.6442 0.8674 0.8674 0.9037 0.9037 1.1425 1.1425 1.1473 1.1473 1.2474 1.2474 1.2496 1.2496 1.2596 1.2596 1.2696 1.2696 2.3232 2.3232 2.3480 2.3480 2.4650 2.4650 2.4836 2.4836 2.5941 2.5941 2.6044 2.6044 3.7912 3.7912 3.8065 3.8065 3.8325 3.8325 3.8565 3.8565 3.9560 3.9560 3.9793 3.9793 4.8105 4.8105 4.8152 4.8152 4.9277 4.9277 4.9340 4.9340 10.1924 10.1924 10.2089 10.2089 10.7355 10.7355 10.7543 10.7543 10.9194 10.9194 10.9200 10.9200 k = 0.4111 0.4426 0.6032 ( 21594 PWs) bands (ev): -14.4659 -14.4659 -14.4659 -14.4659 -10.3261 -10.3261 -10.3256 -10.3256 -9.9408 -9.9408 -9.9405 -9.9405 -9.8574 -9.8574 -9.8564 -9.8564 -3.2721 -3.2721 -3.2627 -3.2627 -1.9336 -1.9336 -1.9124 -1.9124 -1.8198 -1.8198 -1.8194 -1.8194 -0.2370 -0.2370 -0.2328 -0.2328 0.6444 0.6444 0.6487 0.6487 0.8493 0.8493 0.8893 0.8893 1.1485 1.1485 1.1556 1.1556 1.2463 1.2463 1.2504 1.2504 1.2596 1.2596 1.2699 1.2699 2.3250 2.3250 2.3539 2.3539 2.4629 2.4629 2.4837 2.4837 2.5797 2.5797 2.5923 2.5923 3.7928 3.7928 3.8094 3.8094 3.8303 3.8303 3.8574 3.8574 3.9538 3.9538 3.9799 3.9799 4.8148 4.8148 4.8200 4.8200 4.9208 4.9208 4.9278 4.9278 10.1961 10.1961 10.2138 10.2138 10.7603 10.7603 10.7801 10.7801 10.9566 10.9566 10.9569 10.9569 k = 0.4000 0.4619 0.6032 ( 21610 PWs) bands (ev): -14.4658 -14.4658 -14.4658 -14.4658 -10.3254 -10.3254 -10.3248 -10.3248 -9.9428 -9.9428 -9.9424 -9.9424 -9.8567 -9.8567 -9.8556 -9.8556 -3.2714 -3.2714 -3.2612 -3.2612 -1.9302 -1.9302 -1.9064 -1.9064 -1.8209 -1.8209 -1.8206 -1.8206 -0.2347 -0.2347 -0.2301 -0.2301 0.6483 0.6483 0.6539 0.6539 0.8315 0.8315 0.8750 0.8750 1.1535 1.1535 1.1629 1.1629 1.2452 1.2452 1.2514 1.2514 1.2596 1.2596 1.2701 1.2701 2.3268 2.3268 2.3601 2.3601 2.4609 2.4609 2.4838 2.4838 2.5649 2.5649 2.5801 2.5801 3.7945 3.7945 3.8121 3.8121 3.8283 3.8283 3.8583 3.8583 3.9518 3.9518 3.9804 3.9804 4.8194 4.8194 4.8250 4.8250 4.9136 4.9136 4.9213 4.9213 10.1999 10.1999 10.2186 10.2186 10.7859 10.7859 10.8064 10.8064 10.9981 10.9981 10.9981 10.9981 k = 0.3889 0.4811 0.6032 ( 21612 PWs) bands (ev): -14.4658 -14.4658 -14.4658 -14.4658 -10.3247 -10.3247 -10.3240 -10.3240 -9.9445 -9.9445 -9.9442 -9.9442 -9.8561 -9.8561 -9.8550 -9.8550 -3.2707 -3.2707 -3.2597 -3.2597 -1.9267 -1.9267 -1.9005 -1.9005 -1.8225 -1.8225 -1.8214 -1.8214 -0.2325 -0.2325 -0.2275 -0.2275 0.6524 0.6524 0.6598 0.6598 0.8142 0.8142 0.8614 0.8614 1.1576 1.1576 1.1691 1.1691 1.2444 1.2444 1.2526 1.2526 1.2596 1.2596 1.2700 1.2700 2.3287 2.3287 2.3666 2.3666 2.4591 2.4591 2.4840 2.4840 2.5502 2.5502 2.5683 2.5683 3.7962 3.7962 3.8145 3.8145 3.8264 3.8264 3.8591 3.8591 3.9501 3.9501 3.9809 3.9809 4.8242 4.8242 4.8301 4.8301 4.9064 4.9064 4.9146 4.9146 10.2038 10.2038 10.2231 10.2231 10.8112 10.8112 10.8322 10.8322 11.0434 11.0434 11.0438 11.0438 k = 0.3778 0.5004 0.6032 ( 21604 PWs) bands (ev): -14.4658 -14.4657 -14.4657 -14.4657 -10.3240 -10.3240 -10.3233 -10.3233 -9.9461 -9.9461 -9.9458 -9.9458 -9.8556 -9.8556 -9.8544 -9.8544 -3.2700 -3.2700 -3.2584 -3.2584 -1.9236 -1.9236 -1.8950 -1.8950 -1.8241 -1.8241 -1.8220 -1.8220 -0.2306 -0.2306 -0.2252 -0.2252 0.6566 0.6566 0.6661 0.6661 0.7979 0.7979 0.8489 0.8489 1.1607 1.1607 1.1741 1.1741 1.2439 1.2439 1.2539 1.2539 1.2595 1.2595 1.2698 1.2698 2.3304 2.3304 2.3731 2.3731 2.4572 2.4572 2.4842 2.4842 2.5365 2.5365 2.5576 2.5576 3.7978 3.7978 3.8165 3.8165 3.8248 3.8248 3.8598 3.8598 3.9486 3.9486 3.9812 3.9812 4.8290 4.8290 4.8351 4.8351 4.8994 4.8994 4.9082 4.9082 10.2075 10.2075 10.2274 10.2274 10.8351 10.8351 10.8563 10.8563 11.0927 11.0927 11.0933 11.0933 k = 0.3667 0.5196 0.6032 ( 21582 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3235 -10.3235 -10.3227 -10.3227 -9.9474 -9.9474 -9.9471 -9.9471 -9.8552 -9.8552 -9.8540 -9.8540 -3.2693 -3.2693 -3.2573 -3.2573 -1.9209 -1.9209 -1.8903 -1.8903 -1.8255 -1.8255 -1.8224 -1.8224 -0.2289 -0.2289 -0.2232 -0.2232 0.6605 0.6605 0.6726 0.6726 0.7833 0.7833 0.8382 0.8382 1.1630 1.1630 1.1779 1.1779 1.2437 1.2437 1.2553 1.2553 1.2594 1.2594 1.2695 1.2695 2.3319 2.3319 2.3794 2.3794 2.4552 2.4552 2.4843 2.4843 2.5246 2.5246 2.5485 2.5485 3.7992 3.7992 3.8181 3.8181 3.8234 3.8234 3.8604 3.8604 3.9474 3.9474 3.9815 3.9815 4.8335 4.8335 4.8398 4.8398 4.8931 4.8931 4.9023 4.9023 10.2108 10.2108 10.2310 10.2310 10.8561 10.8561 10.8775 10.8775 11.1456 11.1456 11.1463 11.1463 k = 0.3556 0.5389 0.6032 ( 21580 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3231 -10.3231 -10.3223 -10.3223 -9.9484 -9.9484 -9.9481 -9.9481 -9.8550 -9.8550 -9.8537 -9.8537 -3.2688 -3.2688 -3.2565 -3.2565 -1.9188 -1.9188 -1.8865 -1.8865 -1.8266 -1.8266 -1.8227 -1.8227 -0.2276 -0.2276 -0.2217 -0.2217 0.6637 0.6637 0.6786 0.6786 0.7712 0.7712 0.8298 0.8298 1.1644 1.1644 1.1804 1.1804 1.2438 1.2438 1.2565 1.2565 1.2592 1.2592 1.2691 1.2691 2.3330 2.3330 2.3849 2.3849 2.4528 2.4528 2.4842 2.4842 2.5156 2.5156 2.5417 2.5417 3.8003 3.8003 3.8193 3.8193 3.8223 3.8223 3.8609 3.8609 3.9465 3.9465 3.9817 3.9817 4.8373 4.8373 4.8436 4.8436 4.8878 4.8878 4.8975 4.8975 10.2135 10.2135 10.2340 10.2340 10.8729 10.8729 10.8945 10.8945 11.2021 11.2021 11.2024 11.2024 k = 0.3444 0.5581 0.6032 ( 21596 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3228 -10.3228 -10.3220 -10.3220 -9.9491 -9.9491 -9.9487 -9.9487 -9.8548 -9.8548 -9.8536 -9.8536 -3.2685 -3.2685 -3.2560 -3.2560 -1.9174 -1.9174 -1.8842 -1.8842 -1.8273 -1.8273 -1.8228 -1.8228 -0.2268 -0.2268 -0.2208 -0.2208 0.6658 0.6658 0.6831 0.6831 0.7629 0.7629 0.8245 0.8245 1.1652 1.1652 1.1817 1.1817 1.2439 1.2439 1.2574 1.2574 1.2590 1.2590 1.2688 1.2688 2.3337 2.3337 2.3889 2.3889 2.4504 2.4504 2.4840 2.4840 2.5103 2.5103 2.5376 2.5376 3.8009 3.8009 3.8200 3.8200 3.8217 3.8217 3.8612 3.8612 3.9460 3.9460 3.9818 3.9818 4.8399 4.8399 4.8462 4.8462 4.8843 4.8843 4.8942 4.8942 10.2153 10.2153 10.2359 10.2359 10.8839 10.8839 10.9057 10.9057 11.2596 11.2596 11.2617 11.2617 k = 0.3333 0.5774 0.6032 ( 21588 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3227 -10.3227 -10.3219 -10.3219 -9.9493 -9.9493 -9.9490 -9.9489 -9.8548 -9.8548 -9.8535 -9.8535 -3.2684 -3.2684 -3.2558 -3.2558 -1.9170 -1.9170 -1.8834 -1.8834 -1.8275 -1.8275 -1.8228 -1.8228 -0.2265 -0.2265 -0.2204 -0.2204 0.6665 0.6665 0.6848 0.6848 0.7600 0.7600 0.8226 0.8226 1.1654 1.1654 1.1821 1.1821 1.2440 1.2440 1.2577 1.2577 1.2589 1.2589 1.2687 1.2687 2.3338 2.3338 2.3904 2.3904 2.4493 2.4493 2.4838 2.4838 2.5086 2.5086 2.5363 2.5363 3.8011 3.8011 3.8202 3.8202 3.8215 3.8215 3.8613 3.8613 3.9459 3.9459 3.9818 3.9818 4.8408 4.8408 4.8471 4.8471 4.8831 4.8831 4.8931 4.8931 10.2160 10.2160 10.2366 10.2366 10.8879 10.8879 10.9097 10.9097 11.3001 11.3001 11.3175 11.3176 k = 0.3333 0.5774 0.6032 ( 21588 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3227 -10.3227 -10.3219 -10.3219 -9.9493 -9.9493 -9.9490 -9.9489 -9.8548 -9.8548 -9.8535 -9.8535 -3.2684 -3.2684 -3.2558 -3.2558 -1.9170 -1.9170 -1.8834 -1.8834 -1.8275 -1.8275 -1.8228 -1.8228 -0.2265 -0.2265 -0.2204 -0.2204 0.6665 0.6665 0.6848 0.6848 0.7600 0.7600 0.8226 0.8226 1.1654 1.1654 1.1821 1.1821 1.2440 1.2440 1.2577 1.2577 1.2589 1.2589 1.2687 1.2687 2.3338 2.3338 2.3904 2.3904 2.4493 2.4493 2.4838 2.4838 2.5086 2.5086 2.5363 2.5363 3.8011 3.8011 3.8202 3.8202 3.8215 3.8215 3.8613 3.8613 3.9459 3.9459 3.9818 3.9818 4.8408 4.8408 4.8471 4.8471 4.8831 4.8831 4.8931 4.8931 10.2160 10.2160 10.2366 10.2366 10.8879 10.8879 10.9097 10.9097 11.3001 11.3001 11.3175 11.3175 k = 0.3222 0.5581 0.6032 ( 21596 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3228 -10.3228 -10.3220 -10.3220 -9.9491 -9.9491 -9.9487 -9.9487 -9.8548 -9.8548 -9.8536 -9.8536 -3.2685 -3.2685 -3.2560 -3.2560 -1.9174 -1.9174 -1.8842 -1.8842 -1.8273 -1.8273 -1.8228 -1.8228 -0.2268 -0.2268 -0.2208 -0.2208 0.6659 0.6659 0.6833 0.6833 0.7628 0.7628 0.8245 0.8245 1.1652 1.1652 1.1818 1.1818 1.2439 1.2439 1.2573 1.2573 1.2590 1.2590 1.2688 1.2688 2.3337 2.3337 2.3889 2.3889 2.4507 2.4507 2.4841 2.4841 2.5100 2.5100 2.5375 2.5375 3.8009 3.8009 3.8200 3.8200 3.8217 3.8217 3.8612 3.8612 3.9460 3.9460 3.9818 3.9818 4.8400 4.8400 4.8463 4.8463 4.8842 4.8842 4.8941 4.8941 10.2152 10.2152 10.2358 10.2358 10.8836 10.8836 10.9054 10.9054 11.2523 11.2523 11.2523 11.2523 k = 0.3111 0.5389 0.6032 ( 21580 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3231 -10.3231 -10.3223 -10.3223 -9.9484 -9.9484 -9.9480 -9.9480 -9.8549 -9.8549 -9.8537 -9.8537 -3.2689 -3.2689 -3.2566 -3.2566 -1.9188 -1.9188 -1.8864 -1.8864 -1.8271 -1.8271 -1.8231 -1.8231 -0.2278 -0.2278 -0.2219 -0.2219 0.6641 0.6641 0.6796 0.6796 0.7706 0.7706 0.8298 0.8298 1.1647 1.1647 1.1808 1.1808 1.2433 1.2433 1.2564 1.2564 1.2593 1.2593 1.2692 1.2692 2.3335 2.3335 2.3850 2.3850 2.4551 2.4551 2.4855 2.4855 2.5139 2.5139 2.5406 2.5406 3.8004 3.8004 3.8194 3.8194 3.8221 3.8221 3.8609 3.8609 3.9464 3.9464 3.9816 3.9816 4.8381 4.8381 4.8443 4.8443 4.8873 4.8873 4.8970 4.8970 10.2128 10.2128 10.2333 10.2333 10.8705 10.8705 10.8918 10.8918 11.1789 11.1789 11.1816 11.1816 k = 0.3000 0.5196 0.6032 ( 21584 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3237 -10.3237 -10.3229 -10.3229 -9.9472 -9.9472 -9.9469 -9.9469 -9.8552 -9.8552 -9.8539 -9.8539 -3.2697 -3.2697 -3.2576 -3.2576 -1.9211 -1.9211 -1.8900 -1.8900 -1.8272 -1.8272 -1.8237 -1.8237 -0.2294 -0.2294 -0.2238 -0.2238 0.6619 0.6619 0.6755 0.6755 0.7816 0.7816 0.8381 0.8381 1.1639 1.1639 1.1795 1.1795 1.2424 1.2424 1.2549 1.2549 1.2598 1.2598 1.2696 1.2696 2.3336 2.3336 2.3802 2.3802 2.4616 2.4616 2.4881 2.4881 2.5197 2.5197 2.5453 2.5453 3.7996 3.7996 3.8184 3.8184 3.8227 3.8227 3.8603 3.8603 3.9470 3.9470 3.9814 3.9814 4.8358 4.8358 4.8418 4.8418 4.8915 4.8915 4.9009 4.9009 10.2084 10.2084 10.2287 10.2287 10.8484 10.8484 10.8689 10.8689 11.1053 11.1053 11.1089 11.1089 k = 0.2889 0.5004 0.6032 ( 21590 PWs) bands (ev): -14.4658 -14.4658 -14.4658 -14.4658 -10.3245 -10.3245 -10.3238 -10.3238 -9.9456 -9.9456 -9.9452 -9.9452 -9.8554 -9.8554 -9.8542 -9.8542 -3.2707 -3.2707 -3.2591 -3.2591 -1.9241 -1.9241 -1.8946 -1.8946 -1.8278 -1.8278 -1.8249 -1.8249 -0.2318 -0.2318 -0.2264 -0.2264 0.6598 0.6598 0.6722 0.6722 0.7947 0.7947 0.8489 0.8489 1.1630 1.1630 1.1778 1.1778 1.2412 1.2412 1.2532 1.2532 1.2604 1.2604 1.2700 1.2700 2.3344 2.3344 2.3756 2.3756 2.4698 2.4698 2.4921 2.4921 2.5268 2.5268 2.5512 2.5512 3.7987 3.7987 3.8171 3.8171 3.8234 3.8234 3.8596 3.8596 3.9478 3.9478 3.9810 3.9810 4.8336 4.8336 4.8394 4.8394 4.8963 4.8963 4.9056 4.9056 10.2019 10.2019 10.2219 10.2219 10.8179 10.8179 10.8372 10.8372 11.0323 11.0323 11.0365 11.0365 k = 0.2778 0.4811 0.6032 ( 21586 PWs) bands (ev): -14.4658 -14.4658 -14.4658 -14.4658 -10.3255 -10.3255 -10.3248 -10.3248 -9.9435 -9.9435 -9.9431 -9.9431 -9.8558 -9.8558 -9.8546 -9.8546 -3.2721 -3.2721 -3.2610 -3.2610 -1.9279 -1.9279 -1.9001 -1.9001 -1.8293 -1.8293 -1.8269 -1.8269 -0.2349 -0.2349 -0.2299 -0.2299 0.6585 0.6585 0.6704 0.6704 0.8091 0.8091 0.8613 0.8613 1.1620 1.1620 1.1760 1.1760 1.2397 1.2397 1.2512 1.2512 1.2610 1.2610 1.2703 1.2703 2.3363 2.3363 2.3723 2.3723 2.4790 2.4790 2.4975 2.4975 2.5350 2.5350 2.5580 2.5580 3.7977 3.7977 3.8156 3.8156 3.8242 3.8242 3.8587 3.8587 3.9486 3.9486 3.9805 3.9805 4.8320 4.8320 4.8374 4.8374 4.9015 4.9015 4.9105 4.9105 10.1931 10.1931 10.2126 10.2126 10.7799 10.7799 10.7973 10.7973 10.9606 10.9606 10.9653 10.9653 k = 0.2667 0.4619 0.6032 ( 21584 PWs) bands (ev): -14.4659 -14.4659 -14.4659 -14.4659 -10.3268 -10.3268 -10.3262 -10.3262 -9.9409 -9.9409 -9.9405 -9.9405 -9.8561 -9.8561 -9.8550 -9.8550 -3.2739 -3.2739 -3.2633 -3.2633 -1.9323 -1.9323 -1.9063 -1.9063 -1.8318 -1.8318 -1.8298 -1.8298 -0.2387 -0.2387 -0.2342 -0.2342 0.6586 0.6586 0.6706 0.6706 0.8243 0.8243 0.8750 0.8750 1.1610 1.1610 1.1741 1.1741 1.2380 1.2380 1.2492 1.2492 1.2615 1.2615 1.2704 1.2704 2.3396 2.3396 2.3707 2.3707 2.4891 2.4891 2.5041 2.5041 2.5440 2.5440 2.5655 2.5655 3.7965 3.7965 3.8137 3.8137 3.8249 3.8249 3.8578 3.8578 3.9494 3.9494 3.9798 3.9798 4.8311 4.8311 4.8361 4.8361 4.9068 4.9068 4.9156 4.9156 10.1817 10.1817 10.2008 10.2008 10.7352 10.7352 10.7505 10.7505 10.8905 10.8905 10.8960 10.8960 k = 0.2556 0.4426 0.6032 ( 21580 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.3283 -10.3283 -10.3277 -10.3277 -9.9379 -9.9379 -9.9375 -9.9375 -9.8565 -9.8565 -9.8554 -9.8554 -3.2760 -3.2760 -3.2661 -3.2661 -1.9373 -1.9373 -1.9131 -1.9131 -1.8355 -1.8355 -1.8338 -1.8338 -0.2433 -0.2433 -0.2392 -0.2392 0.6603 0.6603 0.6730 0.6730 0.8397 0.8397 0.8893 0.8893 1.1601 1.1601 1.1723 1.1723 1.2363 1.2363 1.2472 1.2472 1.2619 1.2619 1.2703 1.2703 2.3446 2.3446 2.3713 2.3713 2.4999 2.4999 2.5118 2.5118 2.5535 2.5535 2.5735 2.5735 3.7953 3.7953 3.8117 3.8117 3.8256 3.8256 3.8567 3.8567 3.9501 3.9501 3.9789 3.9789 4.8312 4.8312 4.8357 4.8357 4.9121 4.9121 4.9205 4.9205 10.1678 10.1678 10.1862 10.1862 10.6853 10.6853 10.6980 10.6980 10.8224 10.8224 10.8288 10.8288 k = 0.2444 0.4234 0.6032 ( 21586 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3300 -10.3300 -10.3295 -10.3295 -9.9345 -9.9345 -9.9340 -9.9340 -9.8569 -9.8569 -9.8558 -9.8558 -3.2786 -3.2785 -3.2693 -3.2693 -1.9428 -1.9428 -1.9204 -1.9204 -1.8404 -1.8404 -1.8388 -1.8388 -0.2486 -0.2486 -0.2450 -0.2450 0.6641 0.6641 0.6778 0.6778 0.8552 0.8552 0.9039 0.9039 1.1594 1.1594 1.1707 1.1707 1.2346 1.2346 1.2452 1.2452 1.2621 1.2621 1.2700 1.2700 2.3515 2.3515 2.3741 2.3741 2.5113 2.5113 2.5205 2.5205 2.5635 2.5635 2.5819 2.5819 3.7940 3.7940 3.8094 3.8094 3.8263 3.8263 3.8555 3.8555 3.9508 3.9508 3.9778 3.9778 4.8323 4.8323 4.8362 4.8362 4.9172 4.9172 4.9254 4.9254 10.1512 10.1512 10.1689 10.1689 10.6312 10.6312 10.6412 10.6412 10.7564 10.7564 10.7638 10.7638 k = 0.2333 0.4041 0.6032 ( 21584 PWs) bands (ev): -14.4663 -14.4663 -14.4663 -14.4663 -10.3319 -10.3319 -10.3314 -10.3314 -9.9308 -9.9308 -9.9303 -9.9303 -9.8573 -9.8573 -9.8562 -9.8562 -3.2814 -3.2814 -3.2729 -3.2729 -1.9487 -1.9487 -1.9281 -1.9281 -1.8465 -1.8465 -1.8449 -1.8449 -0.2546 -0.2546 -0.2515 -0.2515 0.6699 0.6699 0.6849 0.6849 0.8703 0.8703 0.9184 0.9184 1.1590 1.1590 1.1695 1.1695 1.2329 1.2329 1.2434 1.2434 1.2622 1.2622 1.2695 1.2695 2.3605 2.3605 2.3794 2.3794 2.5232 2.5232 2.5300 2.5300 2.5736 2.5736 2.5906 2.5906 3.7927 3.7927 3.8070 3.8070 3.8271 3.8271 3.8544 3.8544 3.9513 3.9513 3.9766 3.9766 4.8344 4.8344 4.8377 4.8377 4.9221 4.9221 4.9300 4.9300 10.1320 10.1320 10.1489 10.1489 10.5744 10.5744 10.5818 10.5818 10.6923 10.6923 10.7005 10.7005 k = 0.2222 0.3849 0.6032 ( 21584 PWs) bands (ev): -14.4664 -14.4664 -14.4664 -14.4664 -10.3340 -10.3340 -10.3335 -10.3335 -9.9267 -9.9267 -9.9262 -9.9262 -9.8577 -9.8577 -9.8566 -9.8566 -3.2846 -3.2846 -3.2769 -3.2769 -1.9550 -1.9550 -1.9361 -1.9361 -1.8538 -1.8538 -1.8521 -1.8521 -0.2612 -0.2612 -0.2586 -0.2586 0.6781 0.6781 0.6945 0.6945 0.8850 0.8850 0.9323 0.9323 1.1590 1.1590 1.1686 1.1686 1.2314 1.2314 1.2418 1.2418 1.2621 1.2621 1.2687 1.2687 2.3714 2.3714 2.3871 2.3871 2.5356 2.5356 2.5403 2.5403 2.5838 2.5838 2.5994 2.5994 3.7912 3.7912 3.8044 3.8044 3.8279 3.8279 3.8533 3.8533 3.9517 3.9517 3.9752 3.9752 4.8376 4.8376 4.8403 4.8403 4.9268 4.9268 4.9344 4.9344 10.1105 10.1105 10.1263 10.1263 10.5162 10.5162 10.5212 10.5212 10.6296 10.6297 10.6386 10.6386 k = 0.2111 0.3657 0.6032 ( 21576 PWs) bands (ev): -14.4666 -14.4666 -14.4666 -14.4666 -10.3362 -10.3362 -10.3358 -10.3358 -9.9224 -9.9224 -9.9218 -9.9218 -9.8580 -9.8580 -9.8570 -9.8570 -3.2881 -3.2881 -3.2811 -3.2811 -1.9616 -1.9616 -1.9444 -1.9444 -1.8621 -1.8621 -1.8604 -1.8604 -0.2684 -0.2684 -0.2662 -0.2662 0.6884 0.6884 0.7062 0.7062 0.8989 0.8989 0.9455 0.9455 1.1593 1.1593 1.1682 1.1682 1.2300 1.2300 1.2404 1.2404 1.2617 1.2617 1.2676 1.2676 2.3844 2.3844 2.3972 2.3972 2.5483 2.5483 2.5512 2.5512 2.5941 2.5941 2.6083 2.6083 3.7896 3.7896 3.8016 3.8016 3.8287 3.8287 3.8522 3.8522 3.9519 3.9519 3.9735 3.9735 4.8418 4.8418 4.8438 4.8438 4.9312 4.9312 4.9385 4.9385 10.0866 10.0866 10.1013 10.1013 10.4577 10.4577 10.4606 10.4606 10.5682 10.5682 10.5777 10.5777 k = 0.2000 0.3464 0.6032 ( 21584 PWs) bands (ev): -14.4668 -14.4668 -14.4668 -14.4668 -10.3385 -10.3385 -10.3381 -10.3381 -9.9178 -9.9178 -9.9173 -9.9173 -9.8583 -9.8583 -9.8573 -9.8573 -3.2919 -3.2919 -3.2857 -3.2857 -1.9684 -1.9684 -1.9528 -1.9528 -1.8714 -1.8714 -1.8696 -1.8696 -0.2761 -0.2761 -0.2743 -0.2743 0.7009 0.7009 0.7201 0.7201 0.9119 0.9120 0.9577 0.9577 1.1602 1.1602 1.1683 1.1683 1.2287 1.2287 1.2393 1.2393 1.2612 1.2612 1.2664 1.2664 2.3993 2.3993 2.4094 2.4094 2.5614 2.5614 2.5626 2.5626 2.6042 2.6042 2.6172 2.6172 3.7879 3.7879 3.7987 3.7987 3.8297 3.8297 3.8511 3.8511 3.9520 3.9520 3.9717 3.9717 4.8470 4.8470 4.8483 4.8483 4.9353 4.9353 4.9423 4.9423 10.0608 10.0608 10.0743 10.0743 10.3999 10.3999 10.4011 10.4011 10.5078 10.5078 10.5175 10.5175 k = 0.1889 0.3272 0.6032 ( 21584 PWs) bands (ev): -14.4669 -14.4669 -14.4669 -14.4669 -10.3409 -10.3409 -10.3406 -10.3406 -9.9132 -9.9132 -9.9126 -9.9126 -9.8585 -9.8585 -9.8576 -9.8576 -3.2959 -3.2959 -3.2905 -3.2905 -1.9754 -1.9754 -1.9615 -1.9615 -1.8815 -1.8815 -1.8795 -1.8795 -0.2842 -0.2842 -0.2828 -0.2828 0.7154 0.7154 0.7357 0.7357 0.9240 0.9240 0.9687 0.9687 1.1615 1.1615 1.1691 1.1691 1.2277 1.2277 1.2384 1.2384 1.2605 1.2605 1.2649 1.2649 2.4159 2.4159 2.4238 2.4238 2.5745 2.5745 2.5747 2.5747 2.6142 2.6142 2.6261 2.6261 3.7860 3.7860 3.7957 3.7957 3.8307 3.8307 3.8502 3.8502 3.9518 3.9518 3.9698 3.9698 4.8530 4.8530 4.8538 4.8538 4.9392 4.9392 4.9458 4.9458 10.0333 10.0333 10.0456 10.0456 10.3432 10.3432 10.3435 10.3435 10.4482 10.4482 10.4581 10.4581 k = 0.1778 0.3079 0.6032 ( 21594 PWs) bands (ev): -14.4671 -14.4671 -14.4671 -14.4671 -10.3433 -10.3433 -10.3431 -10.3431 -9.9084 -9.9084 -9.9078 -9.9078 -9.8587 -9.8587 -9.8578 -9.8578 -3.3002 -3.3002 -3.2955 -3.2955 -1.9825 -1.9825 -1.9702 -1.9702 -1.8922 -1.8922 -1.8901 -1.8901 -0.2926 -0.2926 -0.2915 -0.2915 0.7317 0.7317 0.7530 0.7530 0.9351 0.9351 0.9784 0.9784 1.1633 1.1633 1.1703 1.1703 1.2269 1.2269 1.2378 1.2378 1.2597 1.2597 1.2632 1.2632 2.4340 2.4340 2.4398 2.4398 2.5867 2.5867 2.5882 2.5882 2.6240 2.6240 2.6348 2.6348 3.7840 3.7840 3.7925 3.7925 3.8319 3.8319 3.8493 3.8493 3.9516 3.9516 3.9677 3.9677 4.8599 4.8599 4.8600 4.8600 4.9426 4.9426 4.9489 4.9489 10.0046 10.0046 10.0156 10.0156 10.2874 10.2874 10.2890 10.2890 10.3896 10.3896 10.3994 10.3994 k = 0.1667 0.2887 0.6032 ( 21606 PWs) bands (ev): -14.4673 -14.4673 -14.4673 -14.4673 -10.3458 -10.3458 -10.3456 -10.3456 -9.9035 -9.9035 -9.9029 -9.9029 -9.8589 -9.8589 -9.8580 -9.8580 -3.3046 -3.3046 -3.3005 -3.3005 -1.9897 -1.9897 -1.9789 -1.9789 -1.9033 -1.9033 -1.9012 -1.9012 -0.3012 -0.3012 -0.3004 -0.3004 0.7495 0.7495 0.7715 0.7715 0.9452 0.9452 0.9868 0.9868 1.1654 1.1654 1.1721 1.1721 1.2263 1.2263 1.2373 1.2373 1.2587 1.2587 1.2614 1.2614 2.4533 2.4533 2.4574 2.4574 2.5991 2.5991 2.6017 2.6017 2.6337 2.6337 2.6435 2.6435 3.7819 3.7819 3.7893 3.7893 3.8331 3.8331 3.8486 3.8486 3.9512 3.9512 3.9655 3.9655 4.8671 4.8671 4.8674 4.8674 4.9458 4.9458 4.9517 4.9517 9.9751 9.9751 9.9848 9.9848 10.2341 10.2341 10.2367 10.2367 10.3321 10.3321 10.3416 10.3416 k = 0.1556 0.2694 0.6032 ( 21598 PWs) bands (ev): -14.4675 -14.4675 -14.4675 -14.4675 -10.3483 -10.3483 -10.3481 -10.3481 -9.8987 -9.8987 -9.8981 -9.8981 -9.8590 -9.8590 -9.8582 -9.8582 -3.3091 -3.3091 -3.3057 -3.3057 -1.9969 -1.9969 -1.9876 -1.9876 -1.9146 -1.9146 -1.9125 -1.9125 -0.3099 -0.3099 -0.3093 -0.3093 0.7687 0.7687 0.7910 0.7910 0.9543 0.9543 0.9939 0.9939 1.1678 1.1678 1.1741 1.1741 1.2260 1.2260 1.2371 1.2371 1.2575 1.2575 1.2594 1.2594 2.4734 2.4734 2.4762 2.4762 2.6115 2.6116 2.6150 2.6150 2.6432 2.6432 2.6521 2.6521 3.7797 3.7797 3.7860 3.7860 3.8344 3.8344 3.8479 3.8479 3.9507 3.9507 3.9632 3.9632 4.8747 4.8747 4.8756 4.8756 4.9487 4.9487 4.9542 4.9542 9.9452 9.9452 9.9536 9.9536 10.1835 10.1835 10.1870 10.1870 10.2758 10.2758 10.2851 10.2851 k = 0.1444 0.2502 0.6032 ( 21598 PWs) bands (ev): -14.4677 -14.4677 -14.4677 -14.4677 -10.3507 -10.3507 -10.3505 -10.3505 -9.8939 -9.8939 -9.8934 -9.8934 -9.8590 -9.8590 -9.8583 -9.8583 -3.3136 -3.3136 -3.3108 -3.3108 -2.0042 -2.0042 -1.9962 -1.9962 -1.9259 -1.9259 -1.9239 -1.9239 -0.3186 -0.3186 -0.3182 -0.3182 0.7888 0.7888 0.8111 0.8111 0.9625 0.9625 0.9999 0.9999 1.1703 1.1703 1.1761 1.1761 1.2260 1.2260 1.2371 1.2371 1.2564 1.2564 1.2573 1.2573 2.4940 2.4940 2.4957 2.4957 2.6240 2.6240 2.6280 2.6280 2.6527 2.6527 2.6606 2.6606 3.7774 3.7774 3.7827 3.7827 3.8358 3.8358 3.8474 3.8474 3.9501 3.9501 3.9608 3.9608 4.8829 4.8829 4.8841 4.8841 4.9512 4.9512 4.9563 4.9563 9.9155 9.9155 9.9227 9.9227 10.1358 10.1358 10.1398 10.1398 10.2211 10.2211 10.2301 10.2301 k = 0.1333 0.2309 0.6032 ( 21606 PWs) bands (ev): -14.4679 -14.4679 -14.4679 -14.4679 -10.3530 -10.3530 -10.3529 -10.3529 -9.8893 -9.8893 -9.8887 -9.8887 -9.8590 -9.8590 -9.8583 -9.8583 -3.3182 -3.3182 -3.3159 -3.3159 -2.0113 -2.0113 -2.0047 -2.0047 -1.9370 -1.9370 -1.9351 -1.9351 -0.3272 -0.3272 -0.3269 -0.3269 0.8096 0.8096 0.8316 0.8316 0.9700 0.9700 1.0048 1.0048 1.1727 1.1727 1.1780 1.1780 1.2264 1.2264 1.2372 1.2372 1.2552 1.2552 1.2553 1.2553 2.5148 2.5148 2.5155 2.5155 2.6361 2.6361 2.6404 2.6404 2.6622 2.6622 2.6690 2.6690 3.7750 3.7750 3.7794 3.7794 3.8372 3.8372 3.8469 3.8469 3.9494 3.9494 3.9585 3.9585 4.8914 4.8914 4.8930 4.8930 4.9534 4.9534 4.9581 4.9581 9.8863 9.8863 9.8924 9.8924 10.0911 10.0911 10.0955 10.0955 10.1684 10.1684 10.1769 10.1769 k = 0.1222 0.2117 0.6032 ( 21606 PWs) bands (ev): -14.4681 -14.4681 -14.4681 -14.4681 -10.3553 -10.3553 -10.3552 -10.3552 -9.8848 -9.8848 -9.8843 -9.8843 -9.8590 -9.8590 -9.8583 -9.8583 -3.3227 -3.3227 -3.3209 -3.3209 -2.0184 -2.0184 -2.0130 -2.0130 -1.9478 -1.9478 -1.9461 -1.9461 -0.3355 -0.3355 -0.3353 -0.3353 0.8308 0.8308 0.8519 0.8519 0.9770 0.9770 1.0089 1.0089 1.1748 1.1748 1.1793 1.1793 1.2272 1.2272 1.2374 1.2374 1.2533 1.2533 1.2540 1.2540 2.5353 2.5353 2.5353 2.5353 2.6479 2.6479 2.6520 2.6520 2.6719 2.6719 2.6776 2.6776 3.7726 3.7726 3.7762 3.7762 3.8386 3.8386 3.8466 3.8466 3.9487 3.9487 3.9562 3.9562 4.9001 4.9001 4.9019 4.9019 4.9553 4.9553 4.9597 4.9597 9.8581 9.8581 9.8631 9.8631 10.0495 10.0495 10.0541 10.0541 10.1180 10.1180 10.1259 10.1259 k = 0.1111 0.1925 0.6032 ( 21622 PWs) bands (ev): -14.4683 -14.4683 -14.4683 -14.4683 -10.3575 -10.3575 -10.3574 -10.3574 -9.8806 -9.8806 -9.8801 -9.8801 -9.8589 -9.8589 -9.8583 -9.8583 -3.3271 -3.3271 -3.3257 -3.3257 -2.0253 -2.0253 -2.0210 -2.0210 -1.9580 -1.9580 -1.9565 -1.9565 -0.3435 -0.3435 -0.3433 -0.3433 0.8519 0.8519 0.8718 0.8718 0.9836 0.9836 1.0123 1.0123 1.1762 1.1762 1.1799 1.1799 1.2284 1.2284 1.2377 1.2377 1.2515 1.2515 1.2528 1.2528 2.5546 2.5546 2.5550 2.5550 2.6591 2.6591 2.6625 2.6625 2.6820 2.6820 2.6863 2.6863 3.7702 3.7702 3.7730 3.7730 3.8400 3.8400 3.8463 3.8463 3.9480 3.9480 3.9539 3.9539 4.9089 4.9089 4.9109 4.9109 4.9570 4.9570 4.9609 4.9609 9.8313 9.8313 9.8353 9.8353 10.0110 10.0110 10.0157 10.0157 10.0702 10.0702 10.0776 10.0776 k = 0.1000 0.1732 0.6032 ( 21614 PWs) bands (ev): -14.4685 -14.4685 -14.4685 -14.4685 -10.3595 -10.3595 -10.3594 -10.3594 -9.8766 -9.8766 -9.8761 -9.8761 -9.8588 -9.8588 -9.8582 -9.8582 -3.3312 -3.3312 -3.3302 -3.3302 -2.0319 -2.0319 -2.0286 -2.0286 -1.9675 -1.9675 -1.9663 -1.9663 -0.3510 -0.3510 -0.3509 -0.3509 0.8725 0.8725 0.8908 0.8908 0.9901 0.9901 1.0154 1.0154 1.1769 1.1769 1.1795 1.1795 1.2301 1.2301 1.2382 1.2382 1.2500 1.2500 1.2518 1.2518 2.5730 2.5730 2.5735 2.5735 2.6695 2.6695 2.6720 2.6720 2.6924 2.6924 2.6953 2.6953 3.7678 3.7678 3.7699 3.7699 3.8413 3.8413 3.8461 3.8461 3.9473 3.9473 3.9518 3.9518 4.9175 4.9175 4.9196 4.9196 4.9584 4.9584 4.9619 4.9619 9.8061 9.8061 9.8093 9.8093 9.9758 9.9758 9.9804 9.9804 10.0257 10.0257 10.0324 10.0324 k = 0.0889 0.1540 0.6032 ( 21622 PWs) bands (ev): -14.4687 -14.4687 -14.4687 -14.4687 -10.3613 -10.3613 -10.3613 -10.3613 -9.8729 -9.8729 -9.8724 -9.8724 -9.8587 -9.8587 -9.8582 -9.8582 -3.3352 -3.3352 -3.3344 -3.3344 -2.0382 -2.0382 -2.0358 -2.0358 -1.9762 -1.9762 -1.9753 -1.9753 -0.3580 -0.3580 -0.3579 -0.3579 0.8923 0.8923 0.9084 0.9084 0.9967 0.9967 1.0182 1.0182 1.1765 1.1765 1.1781 1.1781 1.2320 1.2320 1.2387 1.2387 1.2489 1.2489 1.2509 1.2509 2.5899 2.5899 2.5905 2.5905 2.6791 2.6791 2.6807 2.6807 2.7027 2.7027 2.7044 2.7044 3.7654 3.7654 3.7671 3.7671 3.8424 3.8424 3.8460 3.8460 3.9465 3.9465 3.9499 3.9499 4.9258 4.9258 4.9279 4.9279 4.9596 4.9596 4.9627 4.9627 9.7829 9.7829 9.7854 9.7854 9.9440 9.9440 9.9483 9.9483 9.9848 9.9848 9.9907 9.9907 k = 0.0778 0.1347 0.6032 ( 21626 PWs) bands (ev): -14.4688 -14.4688 -14.4688 -14.4688 -10.3630 -10.3630 -10.3630 -10.3630 -9.8695 -9.8695 -9.8691 -9.8691 -9.8585 -9.8585 -9.8581 -9.8581 -3.3388 -3.3388 -3.3383 -3.3383 -2.0441 -2.0441 -2.0425 -2.0425 -1.9840 -1.9840 -1.9833 -1.9833 -0.3643 -0.3643 -0.3643 -0.3643 0.9108 0.9108 0.9242 0.9242 1.0036 1.0036 1.0211 1.0211 1.1750 1.1750 1.1758 1.1758 1.2341 1.2341 1.2393 1.2393 1.2482 1.2482 1.2501 1.2501 2.6050 2.6050 2.6055 2.6055 2.6878 2.6878 2.6887 2.6887 2.7127 2.7127 2.7135 2.7135 3.7633 3.7633 3.7644 3.7644 3.8434 3.8434 3.8460 3.8460 3.9458 3.9458 3.9482 3.9482 4.9337 4.9337 4.9357 4.9357 4.9606 4.9606 4.9633 4.9633 9.7619 9.7619 9.7636 9.7636 9.9156 9.9156 9.9196 9.9196 9.9478 9.9478 9.9530 9.9530 k = 0.0667 0.1155 0.6032 ( 21642 PWs) bands (ev): -14.4690 -14.4690 -14.4690 -14.4690 -10.3645 -10.3645 -10.3645 -10.3645 -9.8666 -9.8666 -9.8662 -9.8662 -9.8584 -9.8584 -9.8580 -9.8580 -3.3421 -3.3421 -3.3418 -3.3418 -2.0496 -2.0496 -2.0485 -2.0485 -1.9908 -1.9908 -1.9904 -1.9904 -0.3700 -0.3700 -0.3700 -0.3700 0.9275 0.9275 0.9378 0.9378 1.0112 1.0112 1.0243 1.0244 1.1724 1.1724 1.1726 1.1726 1.2363 1.2363 1.2399 1.2399 1.2479 1.2479 1.2495 1.2495 2.6180 2.6180 2.6184 2.6184 2.6959 2.6959 2.6963 2.6963 2.7220 2.7220 2.7223 2.7223 3.7612 3.7612 3.7619 3.7619 3.8443 3.8443 3.8460 3.8460 3.9452 3.9452 3.9468 3.9468 4.9410 4.9410 4.9428 4.9428 4.9614 4.9614 4.9637 4.9637 9.7431 9.7431 9.7444 9.7444 9.8907 9.8907 9.8942 9.8942 9.9154 9.9154 9.9197 9.9197 k = 0.0556 0.0962 0.6032 ( 21650 PWs) bands (ev): -14.4691 -14.4691 -14.4691 -14.4691 -10.3658 -10.3658 -10.3658 -10.3658 -9.8640 -9.8640 -9.8637 -9.8637 -9.8582 -9.8582 -9.8579 -9.8579 -3.3449 -3.3449 -3.3448 -3.3448 -2.0544 -2.0544 -2.0538 -2.0538 -1.9966 -1.9966 -1.9964 -1.9964 -0.3749 -0.3749 -0.3749 -0.3749 0.9419 0.9419 0.9489 0.9489 1.0193 1.0193 1.0282 1.0282 1.1688 1.1688 1.1690 1.1690 1.2382 1.2382 1.2406 1.2406 1.2478 1.2478 1.2490 1.2490 2.6288 2.6288 2.6290 2.6290 2.7031 2.7031 2.7032 2.7032 2.7304 2.7304 2.7304 2.7304 3.7594 3.7594 3.7598 3.7598 3.8450 3.8450 3.8460 3.8460 3.9446 3.9446 3.9455 3.9455 4.9474 4.9474 4.9491 4.9491 4.9621 4.9621 4.9640 4.9640 9.7269 9.7269 9.7276 9.7276 9.8695 9.8695 9.8723 9.8723 9.8878 9.8878 9.8911 9.8911 k = 0.0444 0.0770 0.6032 ( 21654 PWs) bands (ev): -14.4692 -14.4692 -14.4692 -14.4692 -10.3669 -10.3669 -10.3669 -10.3669 -9.8619 -9.8619 -9.8616 -9.8616 -9.8580 -9.8580 -9.8578 -9.8578 -3.3474 -3.3474 -3.3473 -3.3473 -2.0586 -2.0586 -2.0583 -2.0583 -2.0014 -2.0014 -2.0013 -2.0013 -0.3790 -0.3790 -0.3790 -0.3790 0.9534 0.9534 0.9575 0.9575 1.0275 1.0275 1.0327 1.0327 1.1647 1.1647 1.1649 1.1649 1.2399 1.2399 1.2412 1.2412 1.2480 1.2480 1.2488 1.2488 2.6372 2.6372 2.6374 2.6374 2.7094 2.7094 2.7094 2.7094 2.7376 2.7376 2.7376 2.7376 3.7578 3.7578 3.7580 3.7580 3.8455 3.8455 3.8460 3.8460 3.9441 3.9441 3.9446 3.9446 4.9529 4.9529 4.9543 4.9543 4.9627 4.9627 4.9642 4.9642 9.7132 9.7132 9.7137 9.7137 9.8518 9.8518 9.8538 9.8538 9.8653 9.8653 9.8676 9.8676 k = 0.0333 0.0577 0.6032 ( 21650 PWs) bands (ev): -14.4693 -14.4693 -14.4693 -14.4693 -10.3677 -10.3677 -10.3677 -10.3677 -9.8602 -9.8602 -9.8601 -9.8601 -9.8578 -9.8578 -9.8577 -9.8577 -3.3493 -3.3493 -3.3492 -3.3492 -2.0620 -2.0620 -2.0618 -2.0618 -2.0052 -2.0052 -2.0051 -2.0051 -0.3822 -0.3822 -0.3822 -0.3822 0.9620 0.9620 0.9638 0.9638 1.0353 1.0353 1.0377 1.0377 1.1606 1.1606 1.1607 1.1607 1.2412 1.2412 1.2418 1.2418 1.2483 1.2483 1.2487 1.2487 2.6436 2.6436 2.6436 2.6436 2.7146 2.7146 2.7146 2.7146 2.7435 2.7435 2.7436 2.7436 3.7565 3.7565 3.7566 3.7566 3.8459 3.8459 3.8461 3.8461 3.9436 3.9436 3.9438 3.9438 4.9573 4.9573 4.9583 4.9583 4.9632 4.9632 4.9643 4.9643 9.7024 9.7024 9.7026 9.7026 9.8378 9.8378 9.8389 9.8389 9.8483 9.8483 9.8495 9.8495 k = 0.0222 0.0385 0.6032 ( 21658 PWs) bands (ev): -14.4693 -14.4693 -14.4693 -14.4693 -10.3683 -10.3683 -10.3683 -10.3683 -9.8591 -9.8591 -9.8591 -9.8591 -9.8576 -9.8576 -9.8575 -9.8575 -3.3507 -3.3507 -3.3507 -3.3507 -2.0645 -2.0645 -2.0644 -2.0644 -2.0079 -2.0079 -2.0078 -2.0078 -0.3845 -0.3845 -0.3845 -0.3845 0.9676 0.9676 0.9681 0.9681 1.0418 1.0418 1.0425 1.0425 1.1569 1.1569 1.1570 1.1570 1.2420 1.2420 1.2422 1.2422 1.2486 1.2486 1.2487 1.2487 2.6479 2.6479 2.6479 2.6479 2.7185 2.7185 2.7186 2.7186 2.7479 2.7479 2.7480 2.7480 3.7555 3.7555 3.7556 3.7556 3.8461 3.8461 3.8462 3.8462 3.9433 3.9433 3.9434 3.9434 4.9605 4.9605 4.9611 4.9611 4.9639 4.9639 4.9645 4.9645 9.6945 9.6945 9.6945 9.6945 9.8274 9.8274 9.8278 9.8278 9.8364 9.8364 9.8368 9.8368 k = 0.0111 0.0192 0.6032 ( 21628 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.3687 -10.3687 -10.3687 -10.3687 -9.8586 -9.8586 -9.8586 -9.8586 -9.8573 -9.8573 -9.8573 -9.8573 -3.3515 -3.3515 -3.3515 -3.3515 -2.0660 -2.0660 -2.0660 -2.0660 -2.0095 -2.0095 -2.0095 -2.0095 -0.3859 -0.3859 -0.3859 -0.3859 0.9706 0.9706 0.9707 0.9707 1.0460 1.0460 1.0461 1.0461 1.1544 1.1544 1.1544 1.1544 1.2425 1.2425 1.2425 1.2425 1.2488 1.2488 1.2488 1.2488 2.6504 2.6504 2.6504 2.6504 2.7210 2.7210 2.7210 2.7210 2.7507 2.7507 2.7507 2.7507 3.7550 3.7550 3.7550 3.7550 3.8462 3.8462 3.8462 3.8462 3.9431 3.9431 3.9431 3.9431 4.9622 4.9622 4.9623 4.9623 4.9646 4.9646 4.9647 4.9647 9.6896 9.6896 9.6896 9.6896 9.8209 9.8209 9.8210 9.8210 9.8295 9.8295 9.8295 9.8295 k = 0.0000 0.0000 0.6032 ( 21608 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.3688 -10.3688 -10.3688 -10.3688 -9.8584 -9.8584 -9.8584 -9.8584 -9.8572 -9.8572 -9.8572 -9.8572 -3.3518 -3.3518 -3.3518 -3.3518 -2.0665 -2.0665 -2.0665 -2.0665 -2.0100 -2.0100 -2.0100 -2.0100 -0.3864 -0.3864 -0.3864 -0.3864 0.9716 0.9716 0.9716 0.9716 1.0475 1.0475 1.0475 1.0475 1.1534 1.1534 1.1534 1.1534 1.2426 1.2426 1.2426 1.2426 1.2488 1.2488 1.2488 1.2488 2.6513 2.6513 2.6513 2.6513 2.7218 2.7218 2.7218 2.7218 2.7516 2.7516 2.7516 2.7516 3.7548 3.7548 3.7548 3.7548 3.8463 3.8463 3.8463 3.8463 3.9430 3.9430 3.9430 3.9430 4.9627 4.9627 4.9627 4.9627 4.9650 4.9650 4.9650 4.9650 9.6880 9.6880 9.6880 9.6880 9.8187 9.8187 9.8187 9.8187 9.8272 9.8272 9.8272 9.8272 k = 0.5000 0.2887 0.6032 ( 21572 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.3297 -10.3297 -10.3296 -10.3296 -9.9298 -9.9298 -9.9298 -9.9298 -9.8615 -9.8615 -9.8615 -9.8615 -3.2732 -3.2732 -3.2732 -3.2732 -1.9458 -1.9458 -1.9458 -1.9458 -1.8142 -1.8142 -1.8142 -1.8142 -0.2476 -0.2476 -0.2476 -0.2476 0.6304 0.6304 0.6304 0.6304 0.9625 0.9625 0.9625 0.9625 1.0994 1.0994 1.0994 1.0994 1.2506 1.2506 1.2506 1.2506 1.2637 1.2637 1.2637 1.2637 2.3218 2.3218 2.3218 2.3218 2.4801 2.4801 2.4801 2.4801 2.6508 2.6508 2.6508 2.6508 3.7892 3.7892 3.7892 3.7892 3.8470 3.8470 3.8470 3.8470 3.9710 3.9710 3.9710 3.9710 4.7961 4.7961 4.7961 4.7961 4.9558 4.9558 4.9558 4.9558 10.1837 10.1837 10.1837 10.1837 10.6468 10.6468 10.6468 10.6468 10.7936 10.7936 10.7936 10.7936 k = 0.5000 0.2887 0.5809 ( 21562 PWs) bands (ev): -14.4665 -14.4665 -14.4657 -14.4657 -10.3485 -10.3485 -10.3107 -10.3107 -9.9354 -9.9354 -9.9241 -9.9241 -9.8682 -9.8682 -9.8549 -9.8549 -3.2745 -3.2745 -3.2720 -3.2720 -1.9482 -1.9482 -1.9431 -1.9431 -1.8156 -1.8156 -1.8128 -1.8128 -0.2653 -0.2653 -0.2303 -0.2303 0.6146 0.6146 0.6476 0.6476 0.9520 0.9520 0.9736 0.9736 1.0928 1.0928 1.1033 1.1033 1.1942 1.1942 1.2418 1.2418 1.2789 1.2789 1.3185 1.3185 2.2954 2.2954 2.3456 2.3456 2.4694 2.4694 2.4863 2.4863 2.6351 2.6351 2.6686 2.6686 3.7786 3.7786 3.7952 3.7952 3.8423 3.8423 3.8556 3.8556 3.9584 3.9584 3.9835 3.9835 4.7831 4.7831 4.8095 4.8095 4.9467 4.9467 4.9655 4.9655 10.1691 10.1691 10.1928 10.1928 10.6402 10.6402 10.6557 10.6557 10.7866 10.7866 10.8047 10.8047 k = 0.5000 0.2887 0.5585 ( 21578 PWs) bands (ev): -14.4669 -14.4669 -14.4654 -14.4654 -10.3672 -10.3672 -10.2916 -10.2916 -9.9409 -9.9409 -9.9184 -9.9184 -9.8748 -9.8748 -9.8483 -9.8483 -3.2757 -3.2757 -3.2707 -3.2707 -1.9505 -1.9505 -1.9403 -1.9403 -1.8170 -1.8170 -1.8114 -1.8114 -0.2834 -0.2834 -0.2137 -0.2137 0.6002 0.6002 0.6661 0.6661 0.9423 0.9423 0.9853 0.9853 1.0850 1.0850 1.0937 1.0937 1.1515 1.1515 1.2243 1.2243 1.2974 1.2974 1.3845 1.3845 2.2665 2.2665 2.3666 2.3666 2.4562 2.4562 2.4851 2.4851 2.6246 2.6247 2.6866 2.6866 3.7651 3.7651 3.7949 3.7949 3.8433 3.8433 3.8662 3.8662 3.9456 3.9456 3.9958 3.9958 4.7709 4.7709 4.8232 4.8232 4.9383 4.9383 4.9759 4.9759 10.1505 10.1505 10.1954 10.1954 10.6356 10.6356 10.6674 10.6674 10.7851 10.7851 10.8172 10.8172 k = 0.5000 0.2887 0.5362 ( 21586 PWs) bands (ev): -14.4674 -14.4674 -14.4650 -14.4650 -10.3856 -10.3856 -10.2726 -10.2726 -9.9462 -9.9462 -9.9125 -9.9125 -9.8814 -9.8814 -9.8418 -9.8418 -3.2768 -3.2768 -3.2693 -3.2693 -1.9526 -1.9526 -1.9374 -1.9374 -1.8182 -1.8182 -1.8100 -1.8100 -0.3015 -0.3015 -0.1980 -0.1980 0.5874 0.5874 0.6854 0.6854 0.9333 0.9333 0.9963 0.9963 1.0530 1.0530 1.0790 1.0790 1.1421 1.1421 1.2071 1.2071 1.3161 1.3161 1.4521 1.4521 2.2354 2.2354 2.3843 2.3843 2.4415 2.4415 2.4743 2.4743 2.6219 2.6219 2.7034 2.7034 3.7496 3.7496 3.7898 3.7898 3.8486 3.8486 3.8778 3.8778 3.9331 3.9331 4.0078 4.0078 4.7597 4.7597 4.8368 4.8368 4.9305 4.9305 4.9870 4.9870 10.1294 10.1294 10.1907 10.1907 10.6322 10.6322 10.6824 10.6824 10.7894 10.7894 10.8289 10.8289 k = 0.5000 0.2887 0.5138 ( 21576 PWs) bands (ev): -14.4678 -14.4678 -14.4647 -14.4647 -10.4038 -10.4038 -10.2537 -10.2537 -9.9514 -9.9514 -9.9066 -9.9066 -9.8879 -9.8879 -9.8353 -9.8353 -3.2779 -3.2779 -3.2680 -3.2680 -1.9546 -1.9546 -1.9343 -1.9343 -1.8194 -1.8194 -1.8088 -1.8088 -0.3195 -0.3195 -0.1834 -0.1834 0.5761 0.5761 0.7049 0.7049 0.9251 0.9251 0.9902 0.9902 1.0212 1.0212 1.0722 1.0722 1.1463 1.1463 1.1905 1.1905 1.3349 1.3349 1.5206 1.5206 2.2024 2.2024 2.3985 2.3985 2.4259 2.4259 2.4548 2.4548 2.6265 2.6265 2.7185 2.7185 3.7328 3.7328 3.7822 3.7822 3.8555 3.8555 3.8890 3.8890 3.9214 3.9214 4.0195 4.0195 4.7498 4.7498 4.8501 4.8501 4.9232 4.9232 4.9987 4.9987 10.1071 10.1071 10.1788 10.1788 10.6296 10.6296 10.7011 10.7011 10.7981 10.7981 10.8380 10.8380 k = 0.5000 0.2887 0.4915 ( 21590 PWs) bands (ev): -14.4683 -14.4683 -14.4645 -14.4645 -10.4215 -10.4215 -10.2349 -10.2349 -9.9563 -9.9563 -9.9007 -9.9007 -9.8943 -9.8943 -9.8289 -9.8289 -3.2790 -3.2790 -3.2666 -3.2666 -1.9563 -1.9563 -1.9311 -1.9311 -1.8204 -1.8204 -1.8077 -1.8077 -0.3373 -0.3373 -0.1703 -0.1703 0.5664 0.5664 0.7233 0.7233 0.9173 0.9173 0.9474 0.9474 1.0286 1.0286 1.0668 1.0668 1.1533 1.1533 1.1747 1.1747 1.3535 1.3535 1.5897 1.5897 2.1677 2.1677 2.4060 2.4060 2.4096 2.4096 2.4320 2.4320 2.6363 2.6363 2.7315 2.7315 3.7148 3.7148 3.7737 3.7737 3.8620 3.8620 3.8965 3.8965 3.9145 3.9145 4.0309 4.0309 4.7413 4.7413 4.8628 4.8628 4.9164 4.9164 5.0111 5.0111 10.0848 10.0848 10.1605 10.1605 10.6273 10.6273 10.7239 10.7239 10.8083 10.8083 10.8447 10.8447 k = 0.5000 0.2887 0.4692 ( 21588 PWs) bands (ev): -14.4688 -14.4688 -14.4642 -14.4642 -10.4389 -10.4389 -10.2163 -10.2163 -9.9611 -9.9611 -9.9007 -9.9007 -9.8948 -9.8948 -9.8226 -9.8226 -3.2799 -3.2799 -3.2653 -3.2653 -1.9579 -1.9579 -1.9277 -1.9277 -1.8213 -1.8213 -1.8068 -1.8068 -0.3547 -0.3547 -0.1588 -0.1588 0.5580 0.5580 0.7372 0.7372 0.9023 0.9023 0.9155 0.9155 1.0386 1.0386 1.0649 1.0649 1.1589 1.1589 1.1620 1.1620 1.3718 1.3718 1.6591 1.6591 2.1314 2.1314 2.3827 2.3827 2.4017 2.4017 2.4236 2.4236 2.6491 2.6491 2.7422 2.7422 3.6958 3.6958 3.7648 3.7648 3.8657 3.8657 3.8940 3.8940 3.9203 3.9203 4.0419 4.0419 4.7346 4.7346 4.8747 4.8747 4.9102 4.9102 5.0240 5.0240 10.0632 10.0632 10.1368 10.1368 10.6247 10.6247 10.7508 10.7508 10.8154 10.8154 10.8502 10.8502 k = 0.5000 0.2887 0.4468 ( 21576 PWs) bands (ev): -14.4693 -14.4693 -14.4640 -14.4640 -10.4558 -10.4558 -10.1981 -10.1981 -9.9656 -9.9656 -9.9069 -9.9069 -9.8889 -9.8889 -9.8165 -9.8165 -3.2809 -3.2809 -3.2639 -3.2639 -1.9593 -1.9593 -1.9242 -1.9242 -1.8220 -1.8220 -1.8061 -1.8061 -0.3717 -0.3717 -0.1493 -0.1493 0.5510 0.5510 0.7399 0.7399 0.8783 0.8783 0.9080 0.9080 1.0423 1.0423 1.0710 1.0710 1.1456 1.1456 1.1698 1.1698 1.3898 1.3898 1.7285 1.7285 2.0939 2.0939 2.3496 2.3496 2.3863 2.3863 2.4260 2.4260 2.6636 2.6636 2.7508 2.7508 3.6758 3.6758 3.7558 3.7558 3.8621 3.8621 3.8932 3.8932 3.9312 3.9312 4.0525 4.0525 4.7296 4.7296 4.8853 4.8853 4.9048 4.9048 5.0376 5.0376 10.0433 10.0433 10.1089 10.1089 10.6214 10.6214 10.7812 10.7812 10.8158 10.8158 10.8557 10.8557 k = 0.5000 0.2887 0.4245 ( 21586 PWs) bands (ev): -14.4698 -14.4698 -14.4639 -14.4639 -10.4722 -10.4722 -10.1802 -10.1802 -9.9699 -9.9699 -9.9129 -9.9129 -9.8831 -9.8831 -9.8105 -9.8105 -3.2817 -3.2817 -3.2626 -3.2626 -1.9605 -1.9605 -1.9207 -1.9207 -1.8224 -1.8224 -1.8056 -1.8056 -0.3880 -0.3880 -0.1420 -0.1420 0.5453 0.5453 0.7251 0.7251 0.8733 0.8733 0.9040 0.9040 1.0408 1.0408 1.0835 1.0835 1.1334 1.1334 1.1785 1.1785 1.4073 1.4073 1.7976 1.7976 2.0555 2.0555 2.3122 2.3122 2.3715 2.3715 2.4266 2.4266 2.6789 2.6789 2.7571 2.7571 3.6550 3.6550 3.7468 3.7468 3.8519 3.8519 3.8975 3.8975 3.9426 3.9426 4.0627 4.0627 4.7265 4.7265 4.8922 4.8922 4.9025 4.9025 5.0516 5.0516 10.0256 10.0256 10.0778 10.0778 10.6169 10.6169 10.8023 10.8023 10.8197 10.8197 10.8636 10.8636 k = 0.5000 0.2887 0.4021 ( 21582 PWs) bands (ev): -14.4704 -14.4704 -14.4637 -14.4637 -10.4880 -10.4880 -10.1628 -10.1628 -9.9740 -9.9740 -9.9188 -9.9188 -9.8774 -9.8774 -9.8047 -9.8047 -3.2826 -3.2826 -3.2613 -3.2613 -1.9616 -1.9616 -1.9170 -1.9170 -1.8227 -1.8227 -1.8054 -1.8054 -0.4037 -0.4037 -0.1372 -0.1372 0.5407 0.5407 0.6973 0.6973 0.8819 0.8819 0.9044 0.9044 1.0382 1.0382 1.0956 1.0956 1.1253 1.1253 1.1876 1.1876 1.4242 1.4242 1.8660 1.8660 2.0165 2.0165 2.2727 2.2727 2.3575 2.3575 2.4240 2.4240 2.6947 2.6947 2.7615 2.7615 3.6333 3.6333 3.7378 3.7378 3.8391 3.8391 3.9038 3.9038 3.9539 3.9539 4.0725 4.0725 4.7253 4.7253 4.8904 4.8904 4.9081 4.9081 5.0659 5.0659 10.0105 10.0105 10.0447 10.0447 10.6109 10.6109 10.7886 10.7886 10.8450 10.8450 10.8827 10.8827 k = 0.5000 0.2887 0.3798 ( 21586 PWs) bands (ev): -14.4709 -14.4709 -14.4636 -14.4636 -10.5032 -10.5032 -10.1459 -10.1459 -9.9777 -9.9777 -9.9245 -9.9245 -9.8717 -9.8717 -9.7991 -9.7991 -3.2833 -3.2833 -3.2600 -3.2600 -1.9624 -1.9624 -1.9132 -1.9132 -1.8229 -1.8229 -1.8054 -1.8054 -0.4186 -0.4186 -0.1350 -0.1350 0.5371 0.5371 0.6655 0.6655 0.8870 0.8870 0.9176 0.9176 1.0362 1.0362 1.0977 1.0977 1.1298 1.1298 1.1970 1.1970 1.4402 1.4402 1.9312 1.9312 1.9794 1.9794 2.2318 2.2318 2.3441 2.3441 2.4182 2.4182 2.7105 2.7105 2.7640 2.7640 3.6107 3.6107 3.7289 3.7289 3.8253 3.8253 3.9104 3.9104 3.9649 3.9649 4.0818 4.0818 4.7259 4.7259 4.8860 4.8860 4.9155 4.9155 5.0806 5.0806 9.9983 9.9983 10.0103 10.0103 10.6032 10.6032 10.7667 10.7667 10.8576 10.8576 10.9222 10.9222 k = 0.5000 0.2887 0.3575 ( 21602 PWs) bands (ev): -14.4714 -14.4714 -14.4635 -14.4635 -10.5177 -10.5177 -10.1298 -10.1298 -9.9811 -9.9811 -9.9300 -9.9300 -9.8662 -9.8662 -9.7937 -9.7937 -3.2840 -3.2840 -3.2587 -3.2587 -1.9631 -1.9631 -1.9094 -1.9094 -1.8228 -1.8228 -1.8056 -1.8056 -0.4328 -0.4328 -0.1355 -0.1355 0.5343 0.5343 0.6342 0.6342 0.8862 0.8862 0.9410 0.9410 1.0353 1.0353 1.0909 1.0909 1.1453 1.1453 1.2070 1.2070 1.4553 1.4553 1.9315 1.9315 2.0058 2.0058 2.1903 2.1903 2.3314 2.3314 2.4093 2.4093 2.7259 2.7259 2.7650 2.7650 3.5873 3.5873 3.7201 3.7201 3.8112 3.8112 3.9170 3.9170 3.9754 3.9754 4.0907 4.0907 4.7283 4.7283 4.8813 4.8813 4.9223 4.9223 5.0955 5.0955 9.9745 9.9745 9.9904 9.9904 10.5936 10.5936 10.7403 10.7403 10.8645 10.8645 10.9729 10.9729 k = 0.5000 0.2887 0.3351 ( 21616 PWs) bands (ev): -14.4719 -14.4719 -14.4634 -14.4634 -10.5316 -10.5316 -10.1143 -10.1143 -9.9841 -9.9841 -9.9352 -9.9352 -9.8609 -9.8609 -9.7886 -9.7886 -3.2846 -3.2846 -3.2575 -3.2575 -1.9637 -1.9637 -1.9056 -1.9056 -1.8227 -1.8227 -1.8061 -1.8061 -0.4460 -0.4460 -0.1388 -0.1388 0.5323 0.5323 0.6055 0.6055 0.8845 0.8845 0.9675 0.9675 1.0359 1.0359 1.0830 1.0830 1.1640 1.1640 1.2178 1.2178 1.4693 1.4693 1.8920 1.8920 2.0703 2.0703 2.1486 2.1486 2.3193 2.3193 2.3976 2.3976 2.7404 2.7404 2.7651 2.7651 3.5630 3.5630 3.7113 3.7113 3.7969 3.7969 3.9233 3.9233 3.9854 3.9854 4.0990 4.0990 4.7323 4.7323 4.8767 4.8767 4.9280 4.9280 5.1104 5.1104 9.9393 9.9393 9.9853 9.9853 10.5821 10.5821 10.7107 10.7107 10.8699 10.8699 11.0302 11.0302 k = 0.5000 0.2887 0.3128 ( 21586 PWs) bands (ev): -14.4724 -14.4724 -14.4633 -14.4633 -10.5448 -10.5448 -10.0998 -10.0998 -9.9867 -9.9867 -9.9402 -9.9402 -9.8558 -9.8558 -9.7837 -9.7837 -3.2852 -3.2852 -3.2563 -3.2563 -1.9641 -1.9641 -1.9017 -1.9017 -1.8224 -1.8224 -1.8068 -1.8068 -0.4584 -0.4584 -0.1448 -0.1448 0.5307 0.5307 0.5802 0.5802 0.8827 0.8827 0.9942 0.9942 1.0384 1.0384 1.0760 1.0760 1.1839 1.1839 1.2296 1.2296 1.4821 1.4821 1.8512 1.8512 2.1053 2.1053 2.1362 2.1362 2.3080 2.3080 2.3836 2.3836 2.7514 2.7514 2.7672 2.7672 3.5377 3.5377 3.7028 3.7028 3.7828 3.7828 3.9293 3.9293 3.9948 3.9948 4.1069 4.1069 4.7376 4.7376 4.8724 4.8724 4.9326 4.9326 5.1252 5.1252 9.9044 9.9044 9.9841 9.9841 10.5687 10.5687 10.6788 10.6788 10.8746 10.8746 11.0931 11.0931 k = 0.5000 0.2887 0.2904 ( 21598 PWs) bands (ev): -14.4729 -14.4729 -14.4632 -14.4632 -10.5572 -10.5572 -10.0862 -10.0862 -9.9888 -9.9888 -9.9450 -9.9450 -9.8509 -9.8509 -9.7791 -9.7791 -3.2857 -3.2857 -3.2552 -3.2552 -1.9643 -1.9643 -1.8978 -1.8978 -1.8221 -1.8221 -1.8076 -1.8076 -0.4699 -0.4699 -0.1532 -0.1532 0.5294 0.5294 0.5586 0.5586 0.8811 0.8811 1.0186 1.0186 1.0435 1.0435 1.0712 1.0712 1.2046 1.2046 1.2428 1.2428 1.4934 1.4934 1.8101 1.8101 2.0648 2.0648 2.1974 2.1974 2.2973 2.2973 2.3683 2.3683 2.7537 2.7537 2.7764 2.7764 3.5116 3.5116 3.6944 3.6944 3.7688 3.7688 3.9349 3.9349 4.0036 4.0036 4.1143 4.1143 4.7441 4.7441 4.8683 4.8683 4.9362 4.9362 5.1398 5.1398 9.8702 9.8702 9.9867 9.9867 10.5537 10.5537 10.6456 10.6456 10.8785 10.8785 11.1609 11.1609 k = 0.5000 0.2887 0.2681 ( 21586 PWs) bands (ev): -14.4734 -14.4734 -14.4632 -14.4632 -10.5688 -10.5688 -10.0739 -10.0739 -9.9903 -9.9903 -9.9494 -9.9494 -9.8462 -9.8462 -9.7747 -9.7747 -3.2861 -3.2861 -3.2542 -3.2542 -1.9644 -1.9644 -1.8939 -1.8939 -1.8219 -1.8218 -1.8086 -1.8086 -0.4805 -0.4805 -0.1637 -0.1637 0.5272 0.5272 0.5417 0.5417 0.8797 0.8797 1.0366 1.0366 1.0506 1.0506 1.0729 1.0729 1.2257 1.2257 1.2578 1.2578 1.5032 1.5032 1.7690 1.7690 2.0243 2.0243 2.2536 2.2536 2.2873 2.2873 2.3552 2.3552 2.7512 2.7512 2.7891 2.7891 3.4846 3.4846 3.6863 3.6863 3.7551 3.7551 3.9401 3.9401 4.0118 4.0118 4.1212 4.1212 4.7513 4.7513 4.8646 4.8646 4.9388 4.9388 5.1542 5.1542 9.8372 9.8372 9.9931 9.9931 10.5374 10.5374 10.6118 10.6118 10.8818 10.8818 11.1465 11.1465 k = 0.5000 0.2887 0.2458 ( 21596 PWs) bands (ev): -14.4738 -14.4738 -14.4632 -14.4632 -10.5795 -10.5795 -10.0629 -10.0629 -9.9910 -9.9910 -9.9536 -9.9536 -9.8418 -9.8418 -9.7707 -9.7707 -3.2865 -3.2865 -3.2532 -3.2532 -1.9644 -1.9644 -1.8901 -1.8901 -1.8216 -1.8216 -1.8097 -1.8097 -0.4901 -0.4901 -0.1758 -0.1758 0.5203 0.5203 0.5331 0.5331 0.8784 0.8784 1.0479 1.0479 1.0526 1.0526 1.0875 1.0875 1.2470 1.2470 1.2750 1.2750 1.5113 1.5113 1.7282 1.7282 1.9850 1.9850 2.2775 2.2775 2.2880 2.2880 2.3609 2.3609 2.7473 2.7473 2.8020 2.8020 3.4567 3.4567 3.6784 3.6784 3.7419 3.7419 3.9448 3.9448 4.0194 4.0194 4.1276 4.1276 4.7590 4.7590 4.8614 4.8614 4.9406 4.9406 5.1680 5.1680 9.8058 9.8058 10.0030 10.0030 10.5201 10.5201 10.5779 10.5779 10.8845 10.8845 11.1173 11.1173 k = 0.5000 0.2887 0.2234 ( 21600 PWs) bands (ev): -14.4743 -14.4743 -14.4632 -14.4632 -10.5895 -10.5895 -10.0535 -10.0535 -9.9908 -9.9908 -9.9574 -9.9574 -9.8377 -9.8377 -9.7669 -9.7669 -3.2869 -3.2869 -3.2523 -3.2523 -1.9643 -1.9643 -1.8863 -1.8863 -1.8215 -1.8215 -1.8108 -1.8108 -0.4988 -0.4988 -0.1890 -0.1890 0.5097 0.5097 0.5311 0.5311 0.8772 0.8772 1.0511 1.0511 1.0587 1.0587 1.1070 1.1070 1.2683 1.2683 1.2947 1.2947 1.5176 1.5176 1.6878 1.6878 1.9472 1.9472 2.2685 2.2685 2.2831 2.2831 2.4025 2.4025 2.7431 2.7431 2.8143 2.8143 3.4279 3.4279 3.6709 3.6709 3.7293 3.7293 3.9491 3.9491 4.0263 4.0263 4.1335 4.1335 4.7668 4.7668 4.8587 4.8587 4.9415 4.9415 5.1812 5.1812 9.7761 9.7761 10.0163 10.0163 10.5023 10.5023 10.5447 10.5447 10.8865 10.8865 11.0871 11.0871 k = 0.5000 0.2887 0.2011 ( 21592 PWs) bands (ev): -14.4747 -14.4747 -14.4632 -14.4632 -10.5985 -10.5985 -10.0460 -10.0460 -9.9895 -9.9895 -9.9609 -9.9609 -9.8340 -9.8340 -9.7635 -9.7635 -3.2871 -3.2871 -3.2514 -3.2514 -1.9641 -1.9641 -1.8827 -1.8827 -1.8215 -1.8215 -1.8118 -1.8118 -0.5067 -0.5067 -0.2028 -0.2028 0.5004 0.5004 0.5305 0.5305 0.8762 0.8762 1.0500 1.0500 1.0701 1.0701 1.1258 1.1258 1.2894 1.2894 1.3169 1.3169 1.5219 1.5219 1.6479 1.6479 1.9113 1.9113 2.2568 2.2568 2.2672 2.2672 2.4552 2.4552 2.7390 2.7390 2.8258 2.8258 3.3984 3.3984 3.6638 3.6638 3.7175 3.7175 3.9529 3.9529 4.0325 4.0325 4.1388 4.1388 4.7744 4.7744 4.8566 4.8566 4.9419 4.9419 5.1937 5.1937 9.7485 9.7485 10.0325 10.0325 10.4843 10.4843 10.5127 10.5127 10.8881 10.8881 11.0583 11.0583 k = 0.5000 0.2887 0.1787 ( 21582 PWs) bands (ev): -14.4750 -14.4750 -14.4632 -14.4632 -10.6067 -10.6067 -10.0403 -10.0403 -9.9872 -9.9872 -9.9641 -9.9641 -9.8305 -9.8305 -9.7604 -9.7604 -3.2874 -3.2874 -3.2507 -3.2507 -1.9639 -1.9639 -1.8792 -1.8792 -1.8216 -1.8216 -1.8129 -1.8129 -0.5136 -0.5136 -0.2166 -0.2166 0.4929 0.4929 0.5302 0.5302 0.8751 0.8751 1.0496 1.0496 1.0830 1.0830 1.1426 1.1426 1.3105 1.3105 1.3408 1.3408 1.5241 1.5241 1.6090 1.6090 1.8777 1.8777 2.2365 2.2365 2.2573 2.2573 2.5080 2.5080 2.7355 2.7355 2.8363 2.8363 3.3683 3.3683 3.6572 3.6572 3.7064 3.7064 3.9564 3.9564 4.0381 4.0381 4.1436 4.1436 4.7813 4.7813 4.8553 4.8553 4.9417 4.9417 5.2053 5.2053 9.7232 9.7232 10.0511 10.0511 10.4667 10.4667 10.4824 10.4824 10.8892 10.8892 11.0320 11.0320 k = 0.5000 0.2887 0.1564 ( 21562 PWs) bands (ev): -14.4754 -14.4754 -14.4632 -14.4632 -10.6140 -10.6140 -10.0363 -10.0363 -9.9839 -9.9839 -9.9670 -9.9670 -9.8274 -9.8274 -9.7576 -9.7576 -3.2876 -3.2876 -3.2500 -3.2500 -1.9636 -1.9636 -1.8759 -1.8759 -1.8219 -1.8219 -1.8138 -1.8138 -0.5197 -0.5197 -0.2299 -0.2299 0.4871 0.4871 0.5299 0.5299 0.8741 0.8741 1.0500 1.0500 1.0970 1.0970 1.1575 1.1575 1.3314 1.3314 1.3658 1.3658 1.5238 1.5238 1.5714 1.5714 1.8467 1.8467 2.2128 2.2128 2.2506 2.2506 2.5583 2.5583 2.7333 2.7333 2.8458 2.8458 3.3378 3.3378 3.6511 3.6511 3.6964 3.6964 3.9594 3.9594 4.0431 4.0431 4.1479 4.1479 4.7872 4.7872 4.8549 4.8549 4.9412 4.9412 5.2158 5.2158 9.7005 9.7005 10.0714 10.0714 10.4498 10.4498 10.4546 10.4546 10.8900 10.8900 11.0086 11.0086 k = 0.5000 0.2887 0.1340 ( 21578 PWs) bands (ev): -14.4757 -14.4757 -14.4632 -14.4632 -10.6203 -10.6203 -10.0338 -10.0338 -9.9801 -9.9801 -9.9694 -9.9694 -9.8247 -9.8247 -9.7552 -9.7552 -3.2878 -3.2878 -3.2494 -3.2494 -1.9633 -1.9633 -1.8729 -1.8729 -1.8221 -1.8221 -1.8147 -1.8147 -0.5249 -0.5249 -0.2424 -0.2424 0.4826 0.4826 0.5297 0.5297 0.8731 0.8731 1.0510 1.0510 1.1118 1.1118 1.1711 1.1711 1.3519 1.3519 1.3909 1.3909 1.5184 1.5184 1.5381 1.5381 1.8187 1.8187 2.1888 2.1888 2.2451 2.2451 2.6037 2.6037 2.7339 2.7339 2.8542 2.8542 3.3072 3.3072 3.6456 3.6456 3.6875 3.6875 3.9619 3.9619 4.0474 4.0474 4.1516 4.1516 4.7921 4.7921 4.8553 4.8553 4.9404 4.9404 5.2253 5.2253 9.6804 9.6804 10.0925 10.0925 10.4289 10.4289 10.4347 10.4347 10.8907 10.8907 10.9885 10.9885 k = 0.5000 0.2887 0.1117 ( 21570 PWs) bands (ev): -14.4759 -14.4759 -14.4632 -14.4632 -10.6257 -10.6257 -10.0322 -10.0322 -9.9763 -9.9763 -9.9715 -9.9715 -9.8224 -9.8224 -9.7532 -9.7532 -3.2879 -3.2879 -3.2489 -3.2489 -1.9629 -1.9629 -1.8703 -1.8703 -1.8223 -1.8223 -1.8156 -1.8156 -0.5293 -0.5293 -0.2535 -0.2535 0.4793 0.4793 0.5295 0.5295 0.8723 0.8723 1.0525 1.0525 1.1265 1.1265 1.1842 1.1842 1.3717 1.3717 1.4150 1.4150 1.4938 1.4938 1.5236 1.5236 1.7941 1.7941 2.1658 2.1658 2.2406 2.2406 2.6410 2.6410 2.7398 2.7398 2.8615 2.8615 3.2771 3.2771 3.6408 3.6408 3.6798 3.6798 3.9641 3.9641 4.0510 4.0510 4.1547 4.1547 4.7957 4.7957 4.8564 4.8564 4.9395 4.9395 5.2334 5.2334 9.6632 9.6632 10.1134 10.1134 10.4068 10.4068 10.4208 10.4208 10.8913 10.8913 10.9716 10.9716 k = 0.5000 0.2887 0.0894 ( 21556 PWs) bands (ev): -14.4761 -14.4761 -14.4632 -14.4632 -10.6301 -10.6301 -10.0314 -10.0314 -9.9736 -9.9736 -9.9723 -9.9723 -9.8205 -9.8205 -9.7515 -9.7515 -3.2881 -3.2881 -3.2485 -3.2485 -1.9626 -1.9626 -1.8680 -1.8680 -1.8224 -1.8224 -1.8165 -1.8165 -0.5329 -0.5329 -0.2630 -0.2630 0.4768 0.4768 0.5293 0.5293 0.8715 0.8715 1.0542 1.0542 1.1398 1.1398 1.1978 1.1978 1.3906 1.3906 1.4365 1.4365 1.4619 1.4619 1.5169 1.5169 1.7734 1.7734 2.1449 2.1449 2.2369 2.2369 2.6657 2.6657 2.7547 2.7547 2.8674 2.8674 3.2483 3.2483 3.6367 3.6367 3.6734 3.6734 3.9658 3.9658 4.0539 4.0539 4.1573 4.1573 4.7982 4.7982 4.8580 4.8580 4.9386 4.9386 5.2403 5.2403 9.6490 9.6490 10.1331 10.1331 10.3882 10.3882 10.4090 10.4090 10.8919 10.8919 10.9579 10.9579 k = 0.5000 0.2887 0.0670 ( 21562 PWs) bands (ev): -14.4763 -14.4763 -14.4632 -14.4632 -10.6335 -10.6335 -10.0309 -10.0309 -9.9747 -9.9747 -9.9695 -9.9695 -9.8190 -9.8190 -9.7502 -9.7502 -3.2881 -3.2881 -3.2481 -3.2481 -1.9624 -1.9624 -1.8662 -1.8662 -1.8222 -1.8222 -1.8175 -1.8175 -0.5357 -0.5357 -0.2707 -0.2707 0.4751 0.4751 0.5292 0.5292 0.8708 0.8708 1.0559 1.0559 1.1505 1.1505 1.2125 1.2125 1.4081 1.4081 1.4300 1.4300 1.4567 1.4567 1.5097 1.5097 1.7568 1.7568 2.1271 2.1271 2.2340 2.2340 2.6777 2.6777 2.7773 2.7773 2.8721 2.8721 3.2221 3.2221 3.6335 3.6335 3.6683 3.6683 3.9672 3.9672 4.0562 4.0562 4.1593 4.1593 4.7998 4.7998 4.8598 4.8598 4.9378 4.9378 5.2457 5.2457 9.6378 9.6378 10.1501 10.1501 10.3735 10.3735 10.3995 10.3995 10.8925 10.8925 10.9474 10.9474 k = 0.5000 0.2887 0.0447 ( 21568 PWs) bands (ev): -14.4764 -14.4764 -14.4632 -14.4632 -10.6360 -10.6360 -10.0306 -10.0306 -9.9757 -9.9757 -9.9672 -9.9672 -9.8179 -9.8179 -9.7492 -9.7492 -3.2882 -3.2882 -3.2479 -3.2479 -1.9621 -1.9621 -1.8649 -1.8649 -1.8218 -1.8218 -1.8185 -1.8185 -0.5376 -0.5376 -0.2763 -0.2763 0.4739 0.4739 0.5290 0.5290 0.8703 0.8703 1.0572 1.0572 1.1581 1.1581 1.2276 1.2276 1.4038 1.4038 1.4235 1.4235 1.4707 1.4707 1.5020 1.5020 1.7447 1.7447 2.1134 2.1134 2.2320 2.2320 2.6825 2.6825 2.8000 2.8000 2.8755 2.8755 3.2005 3.2005 3.6311 3.6311 3.6647 3.6647 3.9681 3.9681 4.0579 4.0579 4.1608 4.1608 4.8007 4.8007 4.8613 4.8613 4.9371 4.9371 5.2496 5.2496 9.6298 9.6298 10.1634 10.1634 10.3627 10.3627 10.3925 10.3925 10.8931 10.8931 10.9399 10.9399 k = 0.5000 0.2887 0.0223 ( 21556 PWs) bands (ev): -14.4765 -14.4765 -14.4632 -14.4632 -10.6375 -10.6375 -10.0305 -10.0305 -9.9763 -9.9763 -9.9658 -9.9658 -9.8172 -9.8172 -9.7487 -9.7487 -3.2882 -3.2882 -3.2478 -3.2478 -1.9620 -1.9620 -1.8642 -1.8642 -1.8212 -1.8212 -1.8195 -1.8195 -0.5388 -0.5388 -0.2797 -0.2797 0.4733 0.4733 0.5289 0.5289 0.8700 0.8700 1.0582 1.0582 1.1625 1.1625 1.2402 1.2402 1.3845 1.3845 1.4349 1.4349 1.4799 1.4799 1.4950 1.4950 1.7374 1.7374 2.1048 2.1048 2.2308 2.2308 2.6843 2.6843 2.8165 2.8165 2.8775 2.8775 3.1859 3.1859 3.6297 3.6297 3.6625 3.6625 3.9687 3.9687 4.0588 4.0588 4.1617 4.1617 4.8012 4.8012 4.8623 4.8623 4.9367 4.9367 5.2519 5.2519 9.6250 9.6250 10.1719 10.1719 10.3562 10.3562 10.3882 10.3882 10.8935 10.8935 10.9354 10.9354 k = 0.5000 0.2887-0.0000 ( 21534 PWs) bands (ev): -14.4765 -14.4765 -14.4632 -14.4632 -10.6380 -10.6380 -10.0305 -10.0305 -9.9764 -9.9764 -9.9654 -9.9654 -9.8170 -9.8170 -9.7485 -9.7485 -3.2882 -3.2882 -3.2477 -3.2477 -1.9620 -1.9620 -1.8639 -1.8639 -1.8204 -1.8204 -1.8204 -1.8204 -0.5392 -0.5392 -0.2809 -0.2809 0.4730 0.4730 0.5289 0.5289 0.8699 0.8699 1.0585 1.0585 1.1639 1.1639 1.2454 1.2454 1.3771 1.3771 1.4395 1.4395 1.4832 1.4832 1.4918 1.4918 1.7349 1.7349 2.1018 2.1018 2.2304 2.2304 2.6848 2.6848 2.8225 2.8225 2.8782 2.8782 3.1807 3.1807 3.6292 3.6292 3.6618 3.6618 3.9689 3.9689 4.0592 4.0592 4.1619 4.1619 4.8014 4.8014 4.8626 4.8626 4.9366 4.9366 5.2527 5.2527 9.6233 9.6233 10.1748 10.1748 10.3540 10.3540 10.3868 10.3868 10.8937 10.8937 10.9339 10.9339 k = 0.3333 0.5774-0.0000 ( 21555 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.6368 -10.6368 -10.0088 -10.0088 -10.0076 -10.0076 -9.9704 -9.9704 -9.7799 -9.7799 -9.7798 -9.7798 -3.2610 -3.2610 -3.2584 -3.2584 -1.9142 -1.9142 -1.8809 -1.8809 -1.8150 -1.8150 -1.7929 -1.7929 -0.4777 -0.4777 -0.3162 -0.3162 0.5708 0.5708 0.5849 0.5849 0.6174 0.6174 1.1366 1.1366 1.1426 1.1426 1.2697 1.2697 1.2961 1.2961 1.4655 1.4655 1.4806 1.4806 1.5814 1.5814 1.5930 1.5930 2.1582 2.1582 2.3470 2.3470 2.3933 2.3933 2.8073 2.8073 2.8580 2.8580 3.1959 3.1959 3.6295 3.6295 3.6632 3.6632 3.9995 3.9995 4.0442 4.0442 4.1528 4.1528 4.8072 4.8072 4.8673 4.8673 5.0627 5.0627 5.0865 5.0865 9.4346 9.4346 10.6249 10.6249 10.8428 10.8428 10.8500 10.8500 11.2642 11.2642 11.2809 11.2809 k = 0.3333 0.5774 0.0223 ( 21564 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.6363 -10.6363 -10.0086 -10.0086 -10.0074 -10.0074 -9.9711 -9.9711 -9.7801 -9.7801 -9.7800 -9.7800 -3.2609 -3.2609 -3.2584 -3.2584 -1.9141 -1.9141 -1.8809 -1.8809 -1.8153 -1.8153 -1.7930 -1.7930 -0.4774 -0.4774 -0.3145 -0.3145 0.5704 0.5704 0.5850 0.5850 0.6176 0.6176 1.1345 1.1345 1.1402 1.1402 1.2694 1.2694 1.2965 1.2965 1.4647 1.4647 1.4799 1.4799 1.5837 1.5837 1.5956 1.5956 2.1585 2.1585 2.3483 2.3483 2.3948 2.3948 2.8009 2.8009 2.8572 2.8572 3.2009 3.2009 3.6299 3.6299 3.6639 3.6639 3.9993 3.9993 4.0439 4.0439 4.1525 4.1525 4.8067 4.8067 4.8666 4.8666 5.0627 5.0627 5.0864 5.0864 9.4377 9.4377 10.6209 10.6209 10.8406 10.8406 10.8478 10.8478 11.2668 11.2668 11.2830 11.2830 k = 0.3333 0.5774 0.0447 ( 21528 PWs) bands (ev): -14.4694 -14.4694 -14.4694 -14.4694 -10.6348 -10.6348 -10.0082 -10.0082 -10.0070 -10.0070 -9.9730 -9.9730 -9.7807 -9.7807 -9.7806 -9.7806 -3.2609 -3.2609 -3.2585 -3.2585 -1.9139 -1.9139 -1.8809 -1.8809 -1.8159 -1.8159 -1.7933 -1.7933 -0.4766 -0.4766 -0.3096 -0.3096 0.5692 0.5692 0.5852 0.5852 0.6180 0.6180 1.1286 1.1286 1.1333 1.1333 1.2681 1.2681 1.2970 1.2970 1.4626 1.4626 1.4778 1.4778 1.5905 1.5905 1.6036 1.6036 2.1597 2.1597 2.3522 2.3522 2.3992 2.3992 2.7826 2.7826 2.8551 2.8551 3.2152 3.2152 3.6313 3.6313 3.6661 3.6661 3.9986 3.9986 4.0430 4.0430 4.1516 4.1516 4.8051 4.8051 4.8646 4.8646 5.0627 5.0627 5.0862 5.0862 9.4469 9.4469 10.6092 10.6092 10.8345 10.8345 10.8416 10.8416 11.2742 11.2742 11.2884 11.2885 k = 0.3333 0.5774 0.0670 ( 21564 PWs) bands (ev): -14.4693 -14.4693 -14.4693 -14.4693 -10.6322 -10.6322 -10.0075 -10.0075 -10.0064 -10.0064 -9.9761 -9.9761 -9.7816 -9.7816 -9.7815 -9.7815 -3.2608 -3.2608 -3.2587 -3.2587 -1.9135 -1.9135 -1.8810 -1.8810 -1.8169 -1.8169 -1.7937 -1.7937 -0.4751 -0.4751 -0.3014 -0.3014 0.5672 0.5672 0.5856 0.5856 0.6188 0.6188 1.1196 1.1196 1.1231 1.1231 1.2653 1.2653 1.2966 1.2966 1.4591 1.4591 1.4746 1.4746 1.6019 1.6019 1.6168 1.6168 2.1616 2.1616 2.3584 2.3584 2.4063 2.4063 2.7548 2.7548 2.8515 2.8515 3.2365 3.2365 3.6336 3.6336 3.6697 3.6697 3.9975 3.9975 4.0415 4.0415 4.1502 4.1502 4.8026 4.8026 4.8613 4.8613 5.0627 5.0627 5.0858 5.0858 9.4621 9.4621 10.5903 10.5903 10.8251 10.8251 10.8320 10.8320 11.2855 11.2856 11.2954 11.2954 k = 0.3333 0.5774 0.0894 ( 21558 PWs) bands (ev): -14.4692 -14.4692 -14.4692 -14.4692 -10.6287 -10.6287 -10.0066 -10.0066 -10.0054 -10.0054 -9.9805 -9.9805 -9.7829 -9.7829 -9.7828 -9.7828 -3.2607 -3.2607 -3.2589 -3.2589 -1.9131 -1.9131 -1.8811 -1.8810 -1.8183 -1.8183 -1.7943 -1.7943 -0.4730 -0.4730 -0.2903 -0.2903 0.5647 0.5647 0.5862 0.5862 0.6198 0.6198 1.1086 1.1086 1.1108 1.1108 1.2602 1.2602 1.2942 1.2942 1.4545 1.4545 1.4705 1.4705 1.6178 1.6178 1.6348 1.6348 2.1642 2.1642 2.3667 2.3667 2.4158 2.4158 2.7197 2.7197 2.8464 2.8464 3.2624 3.2624 3.6367 3.6367 3.6746 3.6746 3.9959 3.9959 4.0394 4.0394 4.1482 4.1482 4.7994 4.7994 4.8570 4.8570 5.0624 5.0624 5.0852 5.0852 9.4834 9.4834 10.5653 10.5653 10.8136 10.8136 10.8202 10.8202 11.2995 11.2995 11.2999 11.2999 k = 0.3333 0.5774 0.1117 ( 21564 PWs) bands (ev): -14.4691 -14.4691 -14.4691 -14.4691 -10.6242 -10.6242 -10.0054 -10.0054 -10.0042 -10.0042 -9.9861 -9.9861 -9.7846 -9.7846 -9.7844 -9.7844 -3.2606 -3.2606 -3.2592 -3.2592 -1.9125 -1.9125 -1.8811 -1.8811 -1.8200 -1.8200 -1.7950 -1.7950 -0.4703 -0.4703 -0.2764 -0.2764 0.5619 0.5619 0.5868 0.5868 0.6210 0.6210 1.0963 1.0963 1.0972 1.0972 1.2526 1.2526 1.2888 1.2888 1.4490 1.4490 1.4655 1.4655 1.6381 1.6381 1.6572 1.6572 2.1676 2.1676 2.3764 2.3764 2.4275 2.4275 2.6795 2.6795 2.8400 2.8400 3.2912 3.2912 3.6407 3.6407 3.6809 3.6809 3.9938 3.9938 4.0367 4.0367 4.1456 4.1456 4.7955 4.7955 4.8518 4.8518 5.0618 5.0618 5.0841 5.0841 9.5107 9.5107 10.5352 10.5352 10.8010 10.8010 10.8073 10.8073 11.2890 11.2890 11.3146 11.3147 k = 0.3333 0.5774 0.1340 ( 21564 PWs) bands (ev): -14.4690 -14.4690 -14.4690 -14.4690 -10.6187 -10.6187 -10.0039 -10.0039 -10.0028 -10.0028 -9.9929 -9.9929 -9.7866 -9.7866 -9.7864 -9.7864 -3.2605 -3.2605 -3.2595 -3.2595 -1.9119 -1.9119 -1.8812 -1.8812 -1.8218 -1.8218 -1.7959 -1.7959 -0.4670 -0.4670 -0.2601 -0.2601 0.5590 0.5590 0.5875 0.5875 0.6224 0.6224 1.0834 1.0834 1.0835 1.0835 1.2424 1.2424 1.2804 1.2804 1.4427 1.4427 1.4600 1.4600 1.6625 1.6625 1.6835 1.6835 2.1716 2.1716 2.3871 2.3871 2.4408 2.4408 2.6360 2.6360 2.8322 2.8322 3.3215 3.3215 3.6454 3.6454 3.6885 3.6885 3.9913 3.9913 4.0333 4.0333 4.1425 4.1425 4.7911 4.7911 4.8460 4.8460 5.0606 5.0606 5.0824 5.0824 9.5438 9.5438 10.5015 10.5015 10.7883 10.7883 10.7944 10.7944 11.2445 11.2445 11.3287 11.3287 k = 0.3333 0.5774 0.1564 ( 21576 PWs) bands (ev): -14.4688 -14.4688 -14.4688 -14.4688 -10.6122 -10.6122 -10.0022 -10.0022 -10.0011 -10.0011 -10.0009 -10.0009 -9.7889 -9.7889 -9.7887 -9.7887 -3.2603 -3.2603 -3.2599 -3.2599 -1.9112 -1.9112 -1.8813 -1.8813 -1.8238 -1.8238 -1.7970 -1.7970 -0.4629 -0.4629 -0.2420 -0.2420 0.5565 0.5565 0.5884 0.5884 0.6240 0.6240 1.0697 1.0697 1.0706 1.0706 1.2298 1.2298 1.2690 1.2690 1.4360 1.4360 1.4540 1.4540 1.6904 1.6904 1.7131 1.7131 2.1760 2.1760 2.3974 2.3974 2.4555 2.4555 2.5907 2.5907 2.8232 2.8232 3.3524 3.3524 3.6509 3.6509 3.6973 3.6973 3.9883 3.9883 4.0293 4.0293 4.1388 4.1388 4.7865 4.7865 4.8398 4.8398 5.0587 5.0587 5.0801 5.0801 9.5825 9.5825 10.4654 10.4654 10.7764 10.7764 10.7822 10.7822 11.1894 11.1894 11.3349 11.3349 k = 0.3333 0.5774 0.1787 ( 21582 PWs) bands (ev): -14.4687 -14.4687 -14.4687 -14.4687 -10.6048 -10.6048 -10.0100 -10.0100 -10.0002 -10.0002 -9.9991 -9.9991 -9.7916 -9.7916 -9.7913 -9.7913 -3.2603 -3.2603 -3.2601 -3.2601 -1.9106 -1.9106 -1.8815 -1.8815 -1.8259 -1.8259 -1.7981 -1.7981 -0.4582 -0.4582 -0.2224 -0.2224 0.5548 0.5548 0.5893 0.5893 0.6257 0.6257 1.0565 1.0565 1.0579 1.0579 1.2153 1.2153 1.2553 1.2553 1.4288 1.4288 1.4474 1.4474 1.7213 1.7213 1.7456 1.7456 2.1808 2.1808 2.4052 2.4052 2.4709 2.4709 2.5465 2.5465 2.8129 2.8129 3.3833 3.3833 3.6570 3.6570 3.7072 3.7072 3.9848 3.9848 4.0248 4.0248 4.1346 4.1346 4.7820 4.7820 4.8335 4.8335 5.0560 5.0560 5.0771 5.0771 9.6268 9.6268 10.4283 10.4283 10.7660 10.7660 10.7714 10.7714 11.1330 11.1330 11.3452 11.3452 k = 0.3333 0.5774 0.2011 ( 21561 PWs) bands (ev): -14.4685 -14.4685 -14.4685 -14.4685 -10.5965 -10.5965 -10.0202 -10.0202 -9.9980 -9.9980 -9.9969 -9.9969 -9.7945 -9.7945 -9.7942 -9.7942 -3.2608 -3.2608 -3.2598 -3.2598 -1.9100 -1.9100 -1.8816 -1.8816 -1.8279 -1.8279 -1.7994 -1.7994 -0.4528 -0.4528 -0.2020 -0.2020 0.5544 0.5544 0.5903 0.5903 0.6276 0.6276 1.0440 1.0440 1.0454 1.0454 1.1994 1.1994 1.2397 1.2397 1.4212 1.4212 1.4403 1.4403 1.7546 1.7546 1.7804 1.7804 2.1855 2.1855 2.4048 2.4048 2.4868 2.4868 2.5093 2.5093 2.8014 2.8014 3.4138 3.4138 3.6637 3.6637 3.7180 3.7180 3.9809 3.9809 4.0195 4.0195 4.1299 4.1299 4.7776 4.7776 4.8273 4.8273 5.0524 5.0524 5.0732 5.0732 9.6764 9.6764 10.3911 10.3911 10.7575 10.7575 10.7627 10.7627 11.0768 11.0768 11.3582 11.3583 k = 0.3333 0.5774 0.2234 ( 21591 PWs) bands (ev): -14.4683 -14.4683 -14.4683 -14.4683 -10.5872 -10.5872 -10.0314 -10.0314 -9.9956 -9.9956 -9.9945 -9.9945 -9.7978 -9.7978 -9.7974 -9.7974 -3.2613 -3.2613 -3.2596 -3.2596 -1.9095 -1.9095 -1.8817 -1.8817 -1.8298 -1.8298 -1.8008 -1.8008 -0.4466 -0.4466 -0.1815 -0.1815 0.5561 0.5561 0.5914 0.5914 0.6295 0.6295 1.0322 1.0322 1.0331 1.0331 1.1830 1.1830 1.2231 1.2231 1.4133 1.4133 1.4327 1.4327 1.7900 1.7900 1.8171 1.8171 2.1892 2.1892 2.3861 2.3861 2.4901 2.4901 2.5027 2.5027 2.7888 2.7888 3.4437 3.4437 3.6709 3.6709 3.7298 3.7298 3.9764 3.9764 4.0137 4.0137 4.1246 4.1246 4.7737 4.7737 4.8213 4.8213 5.0478 5.0478 5.0683 5.0683 9.7311 9.7311 10.3548 10.3548 10.7514 10.7514 10.7564 10.7564 11.0215 11.0215 11.3724 11.3729 k = 0.3333 0.5774 0.2458 ( 21609 PWs) bands (ev): -14.4681 -14.4681 -14.4681 -14.4681 -10.5771 -10.5771 -10.0436 -10.0436 -9.9930 -9.9930 -9.9919 -9.9919 -9.8012 -9.8012 -9.8009 -9.8009 -3.2619 -3.2619 -3.2593 -3.2593 -1.9091 -1.9091 -1.8819 -1.8819 -1.8315 -1.8315 -1.8023 -1.8023 -0.4397 -0.4397 -0.1617 -0.1617 0.5604 0.5604 0.5927 0.5927 0.6316 0.6316 1.0207 1.0207 1.0209 1.0209 1.1669 1.1669 1.2062 1.2062 1.4049 1.4049 1.4245 1.4245 1.8269 1.8269 1.8553 1.8553 2.1899 2.1899 2.3508 2.3508 2.4891 2.4891 2.5182 2.5182 2.7752 2.7752 3.4728 3.4728 3.6785 3.6785 3.7423 3.7423 3.9715 3.9715 4.0072 4.0072 4.1188 4.1188 4.7703 4.7703 4.8159 4.8159 5.0421 5.0421 5.0624 5.0624 9.7906 9.7906 10.3203 10.3203 10.7479 10.7479 10.7528 10.7528 10.9676 10.9676 11.3686 11.3686 k = 0.3333 0.5774 0.2681 ( 21576 PWs) bands (ev): -14.4679 -14.4679 -14.4679 -14.4679 -10.5660 -10.5660 -10.0567 -10.0567 -9.9901 -9.9901 -9.9891 -9.9891 -9.8049 -9.8049 -9.8045 -9.8045 -3.2625 -3.2625 -3.2590 -3.2590 -1.9088 -1.9088 -1.8820 -1.8820 -1.8329 -1.8329 -1.8038 -1.8038 -0.4319 -0.4319 -0.1435 -0.1435 0.5682 0.5682 0.5942 0.5942 0.6340 0.6340 1.0076 1.0076 1.0099 1.0099 1.1519 1.1519 1.1898 1.1898 1.3962 1.3962 1.4157 1.4157 1.8649 1.8649 1.8946 1.8946 2.1826 2.1826 2.3141 2.3141 2.4958 2.4958 2.5328 2.5328 2.7606 2.7606 3.5010 3.5010 3.6865 3.6865 3.7554 3.7554 3.9661 3.9661 4.0000 4.0000 4.1125 4.1125 4.7678 4.7678 4.8111 4.8111 5.0354 5.0354 5.0555 5.0555 9.8544 9.8544 10.2881 10.2881 10.7472 10.7472 10.7521 10.7521 10.9155 10.9155 11.3654 11.3657 k = 0.3333 0.5774 0.2904 ( 21612 PWs) bands (ev): -14.4676 -14.4676 -14.4676 -14.4676 -10.5542 -10.5542 -10.0707 -10.0707 -9.9871 -9.9871 -9.9861 -9.9861 -9.8088 -9.8088 -9.8084 -9.8084 -3.2630 -3.2630 -3.2588 -3.2588 -1.9088 -1.9088 -1.8822 -1.8822 -1.8340 -1.8340 -1.8054 -1.8054 -0.4234 -0.4234 -0.1276 -0.1276 0.5800 0.5800 0.5959 0.5959 0.6368 0.6368 0.9933 0.9933 0.9988 0.9988 1.1391 1.1391 1.1747 1.1747 1.3871 1.3871 1.4063 1.4063 1.9038 1.9038 1.9348 1.9348 2.1589 2.1589 2.2899 2.2899 2.5045 2.5045 2.5463 2.5463 2.7451 2.7451 3.5283 3.5283 3.6947 3.6947 3.7691 3.7691 3.9602 3.9602 3.9923 3.9923 4.1057 4.1057 4.7661 4.7661 4.8070 4.8070 5.0277 5.0277 5.0476 5.0476 9.9221 9.9221 10.2588 10.2588 10.7493 10.7493 10.7543 10.7543 10.8657 10.8657 11.3585 11.3585 k = 0.3333 0.5774 0.3128 ( 21609 PWs) bands (ev): -14.4674 -14.4674 -14.4674 -14.4674 -10.5415 -10.5415 -10.0855 -10.0855 -9.9839 -9.9839 -9.9830 -9.9830 -9.8129 -9.8129 -9.8124 -9.8124 -3.2636 -3.2636 -3.2585 -3.2585 -1.9090 -1.9090 -1.8823 -1.8823 -1.8349 -1.8349 -1.8069 -1.8069 -0.4140 -0.4140 -0.1147 -0.1147 0.5961 0.5961 0.5980 0.5980 0.6405 0.6405 0.9776 0.9776 0.9871 0.9871 1.1289 1.1289 1.1617 1.1617 1.3776 1.3776 1.3964 1.3964 1.9431 1.9431 1.9755 1.9755 2.1165 2.1165 2.2825 2.2825 2.5132 2.5132 2.5584 2.5584 2.7288 2.7288 3.5546 3.5546 3.7031 3.7031 3.7831 3.7831 3.9538 3.9538 3.9839 3.9839 4.0984 4.0984 4.7655 4.7655 4.8039 4.8039 5.0190 5.0190 5.0387 5.0387 9.9931 9.9931 10.2327 10.2327 10.7542 10.7542 10.7593 10.7593 10.8189 10.8189 11.3483 11.3483 k = 0.3333 0.5774 0.3351 ( 21591 PWs) bands (ev): -14.4672 -14.4672 -14.4672 -14.4672 -10.5281 -10.5281 -10.1011 -10.1011 -9.9806 -9.9806 -9.9797 -9.9797 -9.8171 -9.8171 -9.8165 -9.8165 -3.2642 -3.2642 -3.2582 -3.2582 -1.9094 -1.9094 -1.8825 -1.8825 -1.8354 -1.8354 -1.8085 -1.8085 -0.4038 -0.4038 -0.1055 -0.1055 0.6006 0.6006 0.6153 0.6153 0.6467 0.6467 0.9601 0.9601 0.9744 0.9744 1.1219 1.1219 1.1512 1.1512 1.3678 1.3678 1.3860 1.3860 1.9826 1.9826 2.0165 2.0165 2.0624 2.0624 2.2856 2.2856 2.5208 2.5208 2.5687 2.5687 2.7119 2.7119 3.5799 3.5799 3.7117 3.7117 3.7973 3.7973 3.9470 3.9470 3.9748 3.9748 4.0906 4.0906 4.7661 4.7661 4.8018 4.8018 5.0094 5.0094 5.0288 5.0288 10.0661 10.0661 10.2101 10.2101 10.7618 10.7618 10.7651 10.7651 10.7779 10.7779 11.3354 11.3387 k = 0.3333 0.5774 0.3575 ( 21582 PWs) bands (ev): -14.4670 -14.4670 -14.4670 -14.4670 -10.5140 -10.5140 -10.1174 -10.1174 -9.9772 -9.9772 -9.9764 -9.9764 -9.8214 -9.8214 -9.8207 -9.8207 -3.2648 -3.2648 -3.2579 -3.2579 -1.9099 -1.9099 -1.8826 -1.8826 -1.8355 -1.8355 -1.8100 -1.8100 -0.3928 -0.3928 -0.1002 -0.1002 0.6036 0.6036 0.6317 0.6317 0.6618 0.6618 0.9411 0.9411 0.9606 0.9606 1.1180 1.1180 1.1438 1.1438 1.3575 1.3575 1.3752 1.3752 2.0023 2.0023 2.0221 2.0221 2.0575 2.0575 2.2940 2.2940 2.5269 2.5269 2.5769 2.5769 2.6944 2.6944 3.6043 3.6043 3.7204 3.7204 3.8117 3.8117 3.9398 3.9398 3.9652 3.9652 4.0824 4.0824 4.7678 4.7678 4.8008 4.8008 4.9990 4.9990 5.0181 5.0181 10.1395 10.1395 10.1913 10.1913 10.7364 10.7364 10.7718 10.7718 10.7792 10.7792 11.3207 11.3207 k = 0.3333 0.5774 0.3798 ( 21609 PWs) bands (ev): -14.4668 -14.4668 -14.4668 -14.4668 -10.4991 -10.4991 -10.1343 -10.1343 -9.9738 -9.9738 -9.9730 -9.9730 -9.8257 -9.8257 -9.8250 -9.8250 -3.2653 -3.2653 -3.2576 -3.2576 -1.9106 -1.9106 -1.8827 -1.8827 -1.8354 -1.8354 -1.8115 -1.8115 -0.3809 -0.3809 -0.0988 -0.0988 0.6073 0.6073 0.6403 0.6403 0.6909 0.6909 0.9210 0.9210 0.9456 0.9456 1.1169 1.1169 1.1395 1.1395 1.3470 1.3470 1.3639 1.3639 1.9389 1.9389 2.0611 2.0611 2.0981 2.0981 2.3052 2.3052 2.5310 2.5310 2.5829 2.5829 2.6765 2.6765 3.6278 3.6278 3.7292 3.7292 3.8261 3.8261 3.9321 3.9321 3.9550 3.9550 4.0737 4.0737 4.7708 4.7708 4.8008 4.8008 4.9880 4.9880 5.0066 5.0066 10.1757 10.1757 10.2111 10.2111 10.7067 10.7067 10.7839 10.7839 10.7919 10.7919 11.3052 11.3056 k = 0.3333 0.5774 0.4021 ( 21612 PWs) bands (ev): -14.4666 -14.4666 -14.4666 -14.4666 -10.4836 -10.4836 -10.1517 -10.1517 -9.9703 -9.9703 -9.9695 -9.9695 -9.8299 -9.8299 -9.8292 -9.8292 -3.2658 -3.2658 -3.2573 -3.2573 -1.9114 -1.9114 -1.8828 -1.8828 -1.8350 -1.8350 -1.8130 -1.8130 -0.3682 -0.3682 -0.1012 -0.1012 0.6117 0.6117 0.6458 0.6458 0.7288 0.7288 0.9002 0.9002 0.9297 0.9297 1.1183 1.1183 1.1382 1.1382 1.3362 1.3362 1.3522 1.3522 1.8733 1.8733 2.0994 2.0994 2.1382 2.1382 2.3182 2.3182 2.5328 2.5328 2.5865 2.5865 2.6582 2.6582 3.6504 3.6504 3.7380 3.7380 3.8404 3.8404 3.9242 3.9242 3.9441 3.9441 4.0646 4.0646 4.7750 4.7750 4.8021 4.8021 4.9764 4.9764 4.9945 4.9945 10.1647 10.1647 10.2743 10.2743 10.6898 10.6898 10.7977 10.7977 10.8067 10.8067 11.2896 11.2896 k = 0.3333 0.5774 0.4245 ( 21624 PWs) bands (ev): -14.4664 -14.4664 -14.4664 -14.4664 -10.4675 -10.4675 -10.1696 -10.1696 -9.9668 -9.9668 -9.9661 -9.9661 -9.8342 -9.8342 -9.8333 -9.8333 -3.2663 -3.2663 -3.2570 -3.2570 -1.9123 -1.9123 -1.8829 -1.8829 -1.8343 -1.8343 -1.8144 -1.8144 -0.3547 -0.3547 -0.1070 -0.1070 0.6168 0.6168 0.6508 0.6508 0.7728 0.7728 0.8791 0.8791 0.9133 0.9133 1.1216 1.1216 1.1395 1.1395 1.3252 1.3252 1.3403 1.3403 1.8062 1.8062 2.1367 2.1367 2.1775 2.1775 2.3326 2.3326 2.5324 2.5324 2.5875 2.5875 2.6397 2.6397 3.6722 3.6722 3.7468 3.7468 3.8546 3.8546 3.9159 3.9159 3.9327 3.9327 4.0552 4.0552 4.7804 4.7804 4.8045 4.8045 4.9644 4.9644 4.9818 4.9818 10.1573 10.1573 10.3220 10.3220 10.6936 10.6936 10.8125 10.8125 10.8230 10.8230 11.2754 11.2757 k = 0.3333 0.5774 0.4468 ( 21621 PWs) bands (ev): -14.4663 -14.4663 -14.4663 -14.4663 -10.4508 -10.4508 -10.1880 -10.1880 -9.9634 -9.9634 -9.9628 -9.9628 -9.8382 -9.8382 -9.8373 -9.8373 -3.2668 -3.2668 -3.2567 -3.2567 -1.9132 -1.9132 -1.8830 -1.8830 -1.8335 -1.8335 -1.8158 -1.8158 -0.3404 -0.3404 -0.1158 -0.1158 0.6226 0.6226 0.6558 0.6558 0.8216 0.8216 0.8583 0.8583 0.8969 0.8969 1.1266 1.1266 1.1429 1.1429 1.3142 1.3142 1.3283 1.3283 1.7380 1.7380 2.1727 2.1727 2.2155 2.2155 2.3481 2.3481 2.5294 2.5294 2.5859 2.5859 2.6211 2.6211 3.6932 3.6932 3.7556 3.7556 3.8685 3.8685 3.9074 3.9074 3.9208 3.9208 4.0454 4.0454 4.7870 4.7870 4.8080 4.8080 4.9522 4.9522 4.9687 4.9687 10.1538 10.1538 10.3467 10.3467 10.7254 10.7254 10.8277 10.8277 10.8399 10.8399 11.2641 11.2645 k = 0.3333 0.5774 0.4692 ( 21624 PWs) bands (ev): -14.4661 -14.4661 -14.4661 -14.4661 -10.4336 -10.4336 -10.2067 -10.2067 -9.9602 -9.9602 -9.9596 -9.9596 -9.8420 -9.8420 -9.8411 -9.8411 -3.2672 -3.2672 -3.2565 -3.2565 -1.9141 -1.9141 -1.8831 -1.8831 -1.8326 -1.8326 -1.8171 -1.8171 -0.3253 -0.3253 -0.1271 -0.1271 0.6293 0.6293 0.6610 0.6610 0.8380 0.8380 0.8723 0.8723 0.8832 0.8832 1.1327 1.1327 1.1481 1.1481 1.3032 1.3032 1.3162 1.3162 1.6691 1.6691 2.2069 2.2069 2.2519 2.2519 2.3645 2.3645 2.5241 2.5241 2.5818 2.5818 2.6026 2.6026 3.7134 3.7134 3.7643 3.7643 3.8819 3.8819 3.8988 3.8988 3.9086 3.9086 4.0352 4.0352 4.7946 4.7946 4.8125 4.8125 4.9399 4.9399 4.9554 4.9554 10.1540 10.1540 10.3492 10.3492 10.7838 10.7838 10.8424 10.8424 10.8568 10.8568 11.2541 11.2548 k = 0.3333 0.5774 0.4915 ( 21624 PWs) bands (ev): -14.4660 -14.4660 -14.4660 -14.4660 -10.4159 -10.4159 -10.2257 -10.2257 -9.9572 -9.9572 -9.9567 -9.9567 -9.8456 -9.8456 -9.8445 -9.8445 -3.2675 -3.2675 -3.2563 -3.2563 -1.9149 -1.9149 -1.8832 -1.8832 -1.8316 -1.8316 -1.8183 -1.8183 -0.3096 -0.3096 -0.1404 -0.1404 0.6365 0.6365 0.6664 0.6664 0.8187 0.8187 0.8650 0.8650 0.9322 0.9322 1.1396 1.1396 1.1546 1.1546 1.2925 1.2925 1.3044 1.3044 1.5995 1.5995 2.2389 2.2389 2.2863 2.2863 2.3816 2.3816 2.5166 2.5166 2.5753 2.5753 2.5842 2.5842 3.7329 3.7329 3.7728 3.7728 3.8903 3.8903 3.8913 3.8913 3.8995 3.8995 4.0249 4.0249 4.8030 4.8030 4.8181 4.8181 4.9277 4.9277 4.9421 4.9421 10.1578 10.1578 10.3370 10.3370 10.8559 10.8559 10.8584 10.8584 10.8753 10.8753 11.2484 11.2486 k = 0.3333 0.5774 0.5138 ( 21606 PWs) bands (ev): -14.4659 -14.4659 -14.4659 -14.4659 -10.3978 -10.3978 -10.2448 -10.2448 -9.9546 -9.9546 -9.9541 -9.9541 -9.8487 -9.8487 -9.8476 -9.8476 -3.2678 -3.2678 -3.2561 -3.2561 -1.9156 -1.9156 -1.8833 -1.8833 -1.8305 -1.8305 -1.8195 -1.8195 -0.2932 -0.2932 -0.1552 -0.1552 0.6443 0.6443 0.6718 0.6718 0.8009 0.8009 0.8514 0.8514 0.9918 0.9918 1.1468 1.1468 1.1618 1.1618 1.2824 1.2824 1.2931 1.2931 1.5298 1.5298 2.2681 2.2681 2.3179 2.3179 2.3990 2.3990 2.5073 2.5073 2.5660 2.5660 2.5668 2.5668 3.7517 3.7517 3.7809 3.7809 3.8805 3.8805 3.8820 3.8820 3.9095 3.9095 4.0144 4.0144 4.8121 4.8121 4.8244 4.8244 4.9158 4.9158 4.9289 4.9289 10.1651 10.1651 10.3175 10.3175 10.8674 10.8674 10.8845 10.8845 10.9516 10.9516 11.2487 11.2488 k = 0.3333 0.5774 0.5362 ( 21588 PWs) bands (ev): -14.4658 -14.4658 -14.4658 -14.4658 -10.3793 -10.3793 -10.2642 -10.2642 -9.9524 -9.9524 -9.9520 -9.9520 -9.8512 -9.8512 -9.8501 -9.8501 -3.2681 -3.2681 -3.2560 -3.2560 -1.9162 -1.9162 -1.8833 -1.8833 -1.8295 -1.8295 -1.8207 -1.8207 -0.2763 -0.2763 -0.1713 -0.1713 0.6521 0.6521 0.6768 0.6768 0.7850 0.7850 0.8396 0.8396 1.0540 1.0540 1.1537 1.1537 1.1691 1.1691 1.2733 1.2733 1.2827 1.2827 1.4599 1.4599 2.2938 2.2938 2.3460 2.3460 2.4164 2.4164 2.4974 2.4974 2.5481 2.5481 2.5570 2.5570 3.7699 3.7699 3.7885 3.7885 3.8666 3.8666 3.8742 3.8742 3.9215 3.9215 4.0039 4.0039 4.8216 4.8216 4.8314 4.8314 4.9045 4.9045 4.9164 4.9164 10.1757 10.1757 10.2948 10.2948 10.8765 10.8765 10.8958 10.8958 11.0466 11.0466 11.2558 11.2559 k = 0.3333 0.5774 0.5585 ( 21591 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3605 -10.3605 -10.2836 -10.2836 -9.9507 -9.9507 -9.9503 -9.9503 -9.8531 -9.8531 -9.8519 -9.8519 -3.2682 -3.2682 -3.2559 -3.2559 -1.9166 -1.9166 -1.8833 -1.8833 -1.8285 -1.8285 -1.8217 -1.8217 -0.2590 -0.2590 -0.1882 -0.1882 0.6592 0.6592 0.6810 0.6810 0.7720 0.7720 0.8305 0.8305 1.1183 1.1183 1.1597 1.1597 1.1756 1.1756 1.2658 1.2658 1.2740 1.2740 1.3904 1.3904 2.3146 2.3146 2.3690 2.3690 2.4325 2.4325 2.4886 2.4886 2.5309 2.5309 2.5471 2.5471 3.7875 3.7875 3.7949 3.7949 3.8519 3.8519 3.8676 3.8676 3.9328 3.9328 3.9939 3.9939 4.8306 4.8306 4.8384 4.8384 4.8943 4.8943 4.9051 4.9051 10.1891 10.1891 10.2717 10.2717 10.8829 10.8829 10.9036 10.9036 11.1451 11.1451 11.2694 11.2695 k = 0.3333 0.5774 0.5809 ( 21573 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3415 -10.3415 -10.3029 -10.3029 -9.9496 -9.9496 -9.9493 -9.9493 -9.8543 -9.8543 -9.8531 -9.8531 -3.2683 -3.2683 -3.2558 -3.2558 -1.9169 -1.9169 -1.8834 -1.8834 -1.8278 -1.8278 -1.8224 -1.8224 -0.2415 -0.2415 -0.2055 -0.2055 0.6645 0.6645 0.6838 0.6838 0.7632 0.7632 0.8246 0.8246 1.1639 1.1639 1.1802 1.1802 1.1843 1.1843 1.2607 1.2607 1.2679 1.2679 1.3215 1.3215 2.3288 2.3288 2.3847 2.3847 2.4448 2.4448 2.4838 2.4838 2.5159 2.5159 2.5394 2.5394 3.7995 3.7995 3.8045 3.8045 3.8367 3.8367 3.8630 3.8630 3.9419 3.9419 3.9856 3.9856 4.8379 4.8379 4.8444 4.8444 4.8864 4.8864 4.8965 4.8965 10.2046 10.2046 10.2501 10.2501 10.8866 10.8866 10.9082 10.9082 11.2437 11.2437 11.2893 11.2893 k = 0.3333 0.5774 0.6032 ( 21588 PWs) bands (ev): -14.4657 -14.4657 -14.4657 -14.4657 -10.3227 -10.3227 -10.3219 -10.3219 -9.9493 -9.9493 -9.9490 -9.9489 -9.8548 -9.8548 -9.8535 -9.8535 -3.2684 -3.2684 -3.2558 -3.2558 -1.9170 -1.9170 -1.8834 -1.8834 -1.8275 -1.8275 -1.8228 -1.8228 -0.2265 -0.2265 -0.2204 -0.2204 0.6665 0.6665 0.6848 0.6848 0.7600 0.7600 0.8226 0.8226 1.1654 1.1654 1.1821 1.1821 1.2440 1.2440 1.2577 1.2577 1.2589 1.2589 1.2687 1.2687 2.3338 2.3338 2.3904 2.3904 2.4493 2.4493 2.4838 2.4838 2.5086 2.5086 2.5363 2.5363 3.8011 3.8011 3.8202 3.8202 3.8215 3.8215 3.8613 3.8613 3.9459 3.9459 3.9818 3.9818 4.8408 4.8408 4.8471 4.8471 4.8831 4.8831 4.8931 4.8931 10.2160 10.2160 10.2366 10.2366 10.8879 10.8879 10.9097 10.9097 11.3001 11.3001 11.3175 11.3179 Writing output data file CsNiCl3.save init_run : 0.75s CPU 0.94s WALL ( 1 calls) electrons : 885.22s CPU 891.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 885.20s CPU 891.58s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.30s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.31s WALL ( 232 calls) cegterg : 834.14s CPU 839.24s WALL ( 605 calls) Called by sum_band: Called by *egterg: h_psi : 460.12s CPU 464.70s WALL ( 10550 calls) s_psi : 36.06s CPU 35.97s WALL ( 10550 calls) g_psi : 0.94s CPU 1.04s WALL ( 9713 calls) cdiaghg : 254.68s CPU 255.40s WALL ( 9945 calls) cegterg:over : 45.50s CPU 45.41s WALL ( 9713 calls) cegterg:upda : 38.50s CPU 38.52s WALL ( 9713 calls) cegterg:last : 21.18s CPU 21.24s WALL ( 1301 calls) cdiaghg:chol : 10.56s CPU 10.80s WALL ( 9945 calls) cdiaghg:inve : 8.18s CPU 8.05s WALL ( 9945 calls) cdiaghg:para : 17.04s CPU 17.21s WALL ( 19890 calls) Called by h_psi: h_psi:vloc : 360.86s CPU 365.34s WALL ( 10550 calls) h_psi:vnl : 98.01s CPU 98.16s WALL ( 10550 calls) add_vuspsi : 53.92s CPU 53.95s WALL ( 10550 calls) General routines calbec : 44.03s CPU 44.17s WALL ( 10550 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 348.66s CPU 352.95s WALL ( 1365884 calls) davcio : 0.27s CPU 0.65s WALL ( 464 calls) Parallel routines fft_scatter : 204.12s CPU 206.53s WALL ( 1365899 calls) PWSCF : 16m14.15s CPU 16m43.62s WALL This run was terminated on: 6:52:47 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=