Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:37:34 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: ./CsFeCl3.save/ file Fe.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 57 57 15 2485 2485 353 Max 58 58 16 2488 2488 358 Sum 4117 4117 1135 178973 178973 25647 bravais-lattice index = 14 lattice parameter (alat) = 13.6930 a.u. unit-cell volume = 1853.3641 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 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)= 13.692955 celldm(2)= 1.000000 celldm(3)= 0.833563 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 0.833563 ) 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 1.199669 ) 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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) Fe 8.00 55.84500 Fe( 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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 ) ( 0.4167817 ) 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= 230 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0043478 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0043478 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0043478 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0043478 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0043478 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0043478 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0043478 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0043478 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0043478 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0043478 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0043478 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0043478 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0043478 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0043478 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0043478 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0043478 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0043478 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0043478 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0043478 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0043478 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0043478 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0043478 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0043478 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0043478 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0043478 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0043478 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0043478 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0043478 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0043478 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0043478 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0043478 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0043478 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0043478 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0043478 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0043478 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0043478 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0043478 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0043478 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0043478 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 45) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0043478 k( 46) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0043478 k( 47) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0043478 k( 48) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0043478 k( 49) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0043478 k( 50) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0043478 k( 51) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0043478 k( 52) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0043478 k( 53) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0043478 k( 54) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0043478 k( 55) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0043478 k( 56) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0043478 k( 57) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0043478 k( 58) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0043478 k( 59) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0043478 k( 60) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0043478 k( 61) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0043478 k( 62) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0043478 k( 63) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0043478 k( 64) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0043478 k( 65) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0043478 k( 66) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0043478 k( 67) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0043478 k( 68) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0043478 k( 69) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0043478 k( 70) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0043478 k( 71) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0043478 k( 72) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0043478 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 75) = ( 0.0000000 0.0000000 0.0222161), wk = 0.0043478 k( 76) = ( 0.0000000 0.0000000 0.0444322), wk = 0.0043478 k( 77) = ( 0.0000000 0.0000000 0.0666483), wk = 0.0043478 k( 78) = ( 0.0000000 0.0000000 0.0888644), wk = 0.0043478 k( 79) = ( 0.0000000 0.0000000 0.1110804), wk = 0.0043478 k( 80) = ( 0.0000000 0.0000000 0.1332965), wk = 0.0043478 k( 81) = ( 0.0000000 0.0000000 0.1555126), wk = 0.0043478 k( 82) = ( 0.0000000 0.0000000 0.1777287), wk = 0.0043478 k( 83) = ( 0.0000000 0.0000000 0.1999448), wk = 0.0043478 k( 84) = ( 0.0000000 0.0000000 0.2221609), wk = 0.0043478 k( 85) = ( 0.0000000 0.0000000 0.2443770), wk = 0.0043478 k( 86) = ( 0.0000000 0.0000000 0.2665931), wk = 0.0043478 k( 87) = ( 0.0000000 0.0000000 0.2888092), wk = 0.0043478 k( 88) = ( 0.0000000 0.0000000 0.3110253), wk = 0.0043478 k( 89) = ( 0.0000000 0.0000000 0.3332414), wk = 0.0043478 k( 90) = ( 0.0000000 0.0000000 0.3554574), wk = 0.0043478 k( 91) = ( 0.0000000 0.0000000 0.3776735), wk = 0.0043478 k( 92) = ( 0.0000000 0.0000000 0.3998896), wk = 0.0043478 k( 93) = ( 0.0000000 0.0000000 0.4221057), wk = 0.0043478 k( 94) = ( 0.0000000 0.0000000 0.4443218), wk = 0.0043478 k( 95) = ( 0.0000000 0.0000000 0.4665379), wk = 0.0043478 k( 96) = ( 0.0000000 0.0000000 0.4887540), wk = 0.0043478 k( 97) = ( 0.0000000 0.0000000 0.5109701), wk = 0.0043478 k( 98) = ( 0.0000000 0.0000000 0.5331862), wk = 0.0043478 k( 99) = ( 0.0000000 0.0000000 0.5554023), wk = 0.0043478 k( 100) = ( 0.0000000 0.0000000 0.5776183), wk = 0.0043478 k( 101) = ( 0.0000000 0.0000000 0.5998344), wk = 0.0043478 k( 102) = ( 0.0000000 0.0000000 0.5998344), wk = 0.0043478 k( 103) = ( 0.0192308 0.0111029 0.5998344), wk = 0.0043478 k( 104) = ( 0.0384615 0.0222058 0.5998344), wk = 0.0043478 k( 105) = ( 0.0576923 0.0333087 0.5998344), wk = 0.0043478 k( 106) = ( 0.0769231 0.0444116 0.5998344), wk = 0.0043478 k( 107) = ( 0.0961538 0.0555145 0.5998344), wk = 0.0043478 k( 108) = ( 0.1153846 0.0666173 0.5998344), wk = 0.0043478 k( 109) = ( 0.1346154 0.0777202 0.5998344), wk = 0.0043478 k( 110) = ( 0.1538461 0.0888231 0.5998344), wk = 0.0043478 k( 111) = ( 0.1730769 0.0999260 0.5998344), wk = 0.0043478 k( 112) = ( 0.1923077 0.1110289 0.5998344), wk = 0.0043478 k( 113) = ( 0.2115385 0.1221318 0.5998344), wk = 0.0043478 k( 114) = ( 0.2307692 0.1332347 0.5998344), wk = 0.0043478 k( 115) = ( 0.2500000 0.1443376 0.5998344), wk = 0.0043478 k( 116) = ( 0.2692308 0.1554405 0.5998344), wk = 0.0043478 k( 117) = ( 0.2884615 0.1665433 0.5998344), wk = 0.0043478 k( 118) = ( 0.3076923 0.1776462 0.5998344), wk = 0.0043478 k( 119) = ( 0.3269231 0.1887491 0.5998344), wk = 0.0043478 k( 120) = ( 0.3461538 0.1998520 0.5998344), wk = 0.0043478 k( 121) = ( 0.3653846 0.2109549 0.5998344), wk = 0.0043478 k( 122) = ( 0.3846154 0.2220578 0.5998344), wk = 0.0043478 k( 123) = ( 0.4038462 0.2331607 0.5998344), wk = 0.0043478 k( 124) = ( 0.4230769 0.2442636 0.5998344), wk = 0.0043478 k( 125) = ( 0.4423077 0.2553665 0.5998344), wk = 0.0043478 k( 126) = ( 0.4615385 0.2664694 0.5998344), wk = 0.0043478 k( 127) = ( 0.4807692 0.2775722 0.5998344), wk = 0.0043478 k( 128) = ( 0.5000000 0.2886751 0.5998344), wk = 0.0043478 k( 129) = ( 0.5000000 0.2886751 0.5998344), wk = 0.0043478 k( 130) = ( 0.4888889 0.3079201 0.5998344), wk = 0.0043478 k( 131) = ( 0.4777778 0.3271651 0.5998344), wk = 0.0043478 k( 132) = ( 0.4666667 0.3464102 0.5998344), wk = 0.0043478 k( 133) = ( 0.4555556 0.3656552 0.5998344), wk = 0.0043478 k( 134) = ( 0.4444444 0.3849002 0.5998344), wk = 0.0043478 k( 135) = ( 0.4333333 0.4041452 0.5998344), wk = 0.0043478 k( 136) = ( 0.4222222 0.4233902 0.5998344), wk = 0.0043478 k( 137) = ( 0.4111111 0.4426352 0.5998344), wk = 0.0043478 k( 138) = ( 0.4000000 0.4618802 0.5998344), wk = 0.0043478 k( 139) = ( 0.3888889 0.4811252 0.5998344), wk = 0.0043478 k( 140) = ( 0.3777778 0.5003702 0.5998344), wk = 0.0043478 k( 141) = ( 0.3666667 0.5196152 0.5998344), wk = 0.0043478 k( 142) = ( 0.3555556 0.5388603 0.5998344), wk = 0.0043478 k( 143) = ( 0.3444444 0.5581053 0.5998344), wk = 0.0043478 k( 144) = ( 0.3333333 0.5773503 0.5998344), wk = 0.0043478 k( 145) = ( 0.3333333 0.5773503 0.5998344), wk = 0.0043478 k( 146) = ( 0.3218391 0.5574416 0.5998344), wk = 0.0043478 k( 147) = ( 0.3103448 0.5375330 0.5998344), wk = 0.0043478 k( 148) = ( 0.2988506 0.5176244 0.5998344), wk = 0.0043478 k( 149) = ( 0.2873563 0.4977157 0.5998344), wk = 0.0043478 k( 150) = ( 0.2758621 0.4778071 0.5998344), wk = 0.0043478 k( 151) = ( 0.2643678 0.4578985 0.5998344), wk = 0.0043478 k( 152) = ( 0.2528736 0.4379899 0.5998344), wk = 0.0043478 k( 153) = ( 0.2413793 0.4180812 0.5998344), wk = 0.0043478 k( 154) = ( 0.2298851 0.3981726 0.5998344), wk = 0.0043478 k( 155) = ( 0.2183908 0.3782640 0.5998344), wk = 0.0043478 k( 156) = ( 0.2068966 0.3583553 0.5998344), wk = 0.0043478 k( 157) = ( 0.1954023 0.3384467 0.5998344), wk = 0.0043478 k( 158) = ( 0.1839080 0.3185381 0.5998344), wk = 0.0043478 k( 159) = ( 0.1724138 0.2986294 0.5998344), wk = 0.0043478 k( 160) = ( 0.1609195 0.2787208 0.5998344), wk = 0.0043478 k( 161) = ( 0.1494253 0.2588122 0.5998344), wk = 0.0043478 k( 162) = ( 0.1379310 0.2389036 0.5998344), wk = 0.0043478 k( 163) = ( 0.1264368 0.2189949 0.5998344), wk = 0.0043478 k( 164) = ( 0.1149425 0.1990863 0.5998344), wk = 0.0043478 k( 165) = ( 0.1034483 0.1791777 0.5998344), wk = 0.0043478 k( 166) = ( 0.0919540 0.1592690 0.5998344), wk = 0.0043478 k( 167) = ( 0.0804598 0.1393604 0.5998344), wk = 0.0043478 k( 168) = ( 0.0689655 0.1194518 0.5998344), wk = 0.0043478 k( 169) = ( 0.0574713 0.0995431 0.5998344), wk = 0.0043478 k( 170) = ( 0.0459770 0.0796345 0.5998344), wk = 0.0043478 k( 171) = ( 0.0344828 0.0597259 0.5998344), wk = 0.0043478 k( 172) = ( 0.0229885 0.0398173 0.5998344), wk = 0.0043478 k( 173) = ( 0.0114942 0.0199086 0.5998344), wk = 0.0043478 k( 174) = ( 0.0000000 0.0000000 0.5998344), wk = 0.0043478 k( 175) = ( 0.5000000 0.2886751 0.5998344), wk = 0.0043478 k( 176) = ( 0.5000000 0.2886751 0.5776183), wk = 0.0043478 k( 177) = ( 0.5000000 0.2886751 0.5554023), wk = 0.0043478 k( 178) = ( 0.5000000 0.2886751 0.5331862), wk = 0.0043478 k( 179) = ( 0.5000000 0.2886751 0.5109701), wk = 0.0043478 k( 180) = ( 0.5000000 0.2886751 0.4887540), wk = 0.0043478 k( 181) = ( 0.5000000 0.2886751 0.4665379), wk = 0.0043478 k( 182) = ( 0.5000000 0.2886751 0.4443218), wk = 0.0043478 k( 183) = ( 0.5000000 0.2886751 0.4221057), wk = 0.0043478 k( 184) = ( 0.5000000 0.2886751 0.3998896), wk = 0.0043478 k( 185) = ( 0.5000000 0.2886751 0.3776735), wk = 0.0043478 k( 186) = ( 0.5000000 0.2886751 0.3554574), wk = 0.0043478 k( 187) = ( 0.5000000 0.2886751 0.3332414), wk = 0.0043478 k( 188) = ( 0.5000000 0.2886751 0.3110253), wk = 0.0043478 k( 189) = ( 0.5000000 0.2886751 0.2888092), wk = 0.0043478 k( 190) = ( 0.5000000 0.2886751 0.2665931), wk = 0.0043478 k( 191) = ( 0.5000000 0.2886751 0.2443770), wk = 0.0043478 k( 192) = ( 0.5000000 0.2886751 0.2221609), wk = 0.0043478 k( 193) = ( 0.5000000 0.2886751 0.1999448), wk = 0.0043478 k( 194) = ( 0.5000000 0.2886751 0.1777287), wk = 0.0043478 k( 195) = ( 0.5000000 0.2886751 0.1555126), wk = 0.0043478 k( 196) = ( 0.5000000 0.2886751 0.1332965), wk = 0.0043478 k( 197) = ( 0.5000000 0.2886751 0.1110804), wk = 0.0043478 k( 198) = ( 0.5000000 0.2886751 0.0888644), wk = 0.0043478 k( 199) = ( 0.5000000 0.2886751 0.0666483), wk = 0.0043478 k( 200) = ( 0.5000000 0.2886751 0.0444322), wk = 0.0043478 k( 201) = ( 0.5000000 0.2886751 0.0222161), wk = 0.0043478 k( 202) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0043478 k( 203) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0043478 k( 204) = ( 0.3333333 0.5773503 0.0222161), wk = 0.0043478 k( 205) = ( 0.3333333 0.5773503 0.0444322), wk = 0.0043478 k( 206) = ( 0.3333333 0.5773503 0.0666483), wk = 0.0043478 k( 207) = ( 0.3333333 0.5773503 0.0888644), wk = 0.0043478 k( 208) = ( 0.3333333 0.5773503 0.1110804), wk = 0.0043478 k( 209) = ( 0.3333333 0.5773503 0.1332965), wk = 0.0043478 k( 210) = ( 0.3333333 0.5773503 0.1555126), wk = 0.0043478 k( 211) = ( 0.3333333 0.5773503 0.1777287), wk = 0.0043478 k( 212) = ( 0.3333333 0.5773503 0.1999448), wk = 0.0043478 k( 213) = ( 0.3333333 0.5773503 0.2221609), wk = 0.0043478 k( 214) = ( 0.3333333 0.5773503 0.2443770), wk = 0.0043478 k( 215) = ( 0.3333333 0.5773503 0.2665931), wk = 0.0043478 k( 216) = ( 0.3333333 0.5773503 0.2888092), wk = 0.0043478 k( 217) = ( 0.3333333 0.5773503 0.3110253), wk = 0.0043478 k( 218) = ( 0.3333333 0.5773503 0.3332414), wk = 0.0043478 k( 219) = ( 0.3333333 0.5773503 0.3554574), wk = 0.0043478 k( 220) = ( 0.3333333 0.5773503 0.3776735), wk = 0.0043478 k( 221) = ( 0.3333333 0.5773503 0.3998896), wk = 0.0043478 k( 222) = ( 0.3333333 0.5773503 0.4221057), wk = 0.0043478 k( 223) = ( 0.3333333 0.5773503 0.4443218), wk = 0.0043478 k( 224) = ( 0.3333333 0.5773503 0.4665379), wk = 0.0043478 k( 225) = ( 0.3333333 0.5773503 0.4887540), wk = 0.0043478 k( 226) = ( 0.3333333 0.5773503 0.5109701), wk = 0.0043478 k( 227) = ( 0.3333333 0.5773503 0.5331862), wk = 0.0043478 k( 228) = ( 0.3333333 0.5773503 0.5554023), wk = 0.0043478 k( 229) = ( 0.3333333 0.5773503 0.5776183), wk = 0.0043478 k( 230) = ( 0.3333333 0.5773503 0.5998344), wk = 0.0043478 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 2) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0043478 k( 3) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0043478 k( 4) = ( 0.0576923 -0.0000000 -0.0000000), wk = 0.0043478 k( 5) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0043478 k( 6) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0043478 k( 7) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0043478 k( 8) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0043478 k( 9) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0043478 k( 10) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0043478 k( 11) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0043478 k( 12) = ( 0.2115385 -0.0000000 0.0000000), wk = 0.0043478 k( 13) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0043478 k( 14) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0043478 k( 15) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0043478 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0043478 k( 17) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0043478 k( 18) = ( 0.3269231 0.0000000 -0.0000000), wk = 0.0043478 k( 19) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0043478 k( 20) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0043478 k( 21) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0043478 k( 22) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0043478 k( 23) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0043478 k( 24) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0043478 k( 25) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0043478 k( 26) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0043478 k( 27) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 29) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0043478 k( 30) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0043478 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0043478 k( 32) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0043478 k( 33) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0043478 k( 34) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0043478 k( 35) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0043478 k( 36) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0043478 k( 37) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0043478 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0043478 k( 39) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0043478 k( 40) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0043478 k( 41) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0043478 k( 42) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0043478 k( 43) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 44) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 45) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0043478 k( 46) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0043478 k( 47) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0043478 k( 48) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0043478 k( 49) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0043478 k( 50) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0043478 k( 51) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0043478 k( 52) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0043478 k( 53) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0043478 k( 54) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0043478 k( 55) = ( 0.2068966 0.2068966 -0.0000000), wk = 0.0043478 k( 56) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0043478 k( 57) = ( 0.1839080 0.1839080 0.0000000), wk = 0.0043478 k( 58) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0043478 k( 59) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0043478 k( 60) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0043478 k( 61) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0043478 k( 62) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0043478 k( 63) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0043478 k( 64) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0043478 k( 65) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0043478 k( 66) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0043478 k( 67) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0043478 k( 68) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0043478 k( 69) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0043478 k( 70) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0043478 k( 71) = ( 0.0229885 0.0229885 -0.0000000), wk = 0.0043478 k( 72) = ( 0.0114942 0.0114942 -0.0000000), wk = 0.0043478 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043478 k( 75) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0043478 k( 76) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0043478 k( 77) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0043478 k( 78) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0043478 k( 79) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0043478 k( 80) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0043478 k( 81) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0043478 k( 82) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0043478 k( 83) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043478 k( 84) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0043478 k( 85) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0043478 k( 86) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0043478 k( 87) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0043478 k( 88) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0043478 k( 89) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0043478 k( 90) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0043478 k( 91) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0043478 k( 92) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043478 k( 93) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0043478 k( 94) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0043478 k( 95) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0043478 k( 96) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0043478 k( 97) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0043478 k( 98) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0043478 k( 99) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0043478 k( 100) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0043478 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 103) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0043478 k( 104) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0043478 k( 105) = ( 0.0576923 -0.0000000 0.5000000), wk = 0.0043478 k( 106) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0043478 k( 107) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0043478 k( 108) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0043478 k( 109) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0043478 k( 110) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0043478 k( 111) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0043478 k( 112) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0043478 k( 113) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0043478 k( 114) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0043478 k( 115) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0043478 k( 116) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0043478 k( 117) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0043478 k( 118) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0043478 k( 119) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0043478 k( 120) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0043478 k( 121) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0043478 k( 122) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0043478 k( 123) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0043478 k( 124) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0043478 k( 125) = ( 0.4423077 -0.0000000 0.5000000), wk = 0.0043478 k( 126) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0043478 k( 127) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0043478 k( 128) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 129) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 130) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0043478 k( 131) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0043478 k( 132) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0043478 k( 133) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0043478 k( 134) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0043478 k( 135) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0043478 k( 136) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0043478 k( 137) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0043478 k( 138) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0043478 k( 139) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0043478 k( 140) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0043478 k( 141) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0043478 k( 142) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0043478 k( 143) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0043478 k( 144) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 k( 145) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 k( 146) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0043478 k( 147) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0043478 k( 148) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0043478 k( 149) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0043478 k( 150) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0043478 k( 151) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0043478 k( 152) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0043478 k( 153) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0043478 k( 154) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0043478 k( 155) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0043478 k( 156) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0043478 k( 157) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0043478 k( 158) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0043478 k( 159) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0043478 k( 160) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0043478 k( 161) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0043478 k( 162) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0043478 k( 163) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0043478 k( 164) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0043478 k( 165) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0043478 k( 166) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0043478 k( 167) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0043478 k( 168) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0043478 k( 169) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0043478 k( 170) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0043478 k( 171) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0043478 k( 172) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0043478 k( 173) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0043478 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043478 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043478 k( 176) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0043478 k( 177) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0043478 k( 178) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0043478 k( 179) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0043478 k( 180) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0043478 k( 181) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0043478 k( 182) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0043478 k( 183) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0043478 k( 184) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0043478 k( 185) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0043478 k( 186) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0043478 k( 187) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0043478 k( 188) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0043478 k( 189) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0043478 k( 190) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0043478 k( 191) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0043478 k( 192) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0043478 k( 193) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0043478 k( 194) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0043478 k( 195) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0043478 k( 196) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0043478 k( 197) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0043478 k( 198) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0043478 k( 199) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0043478 k( 200) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0043478 k( 201) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0043478 k( 202) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043478 k( 203) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043478 k( 204) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0043478 k( 205) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0043478 k( 206) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0043478 k( 207) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0043478 k( 208) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0043478 k( 209) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0043478 k( 210) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0043478 k( 211) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0043478 k( 212) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0043478 k( 213) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0043478 k( 214) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0043478 k( 215) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0043478 k( 216) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0043478 k( 217) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0043478 k( 218) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0043478 k( 219) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0043478 k( 220) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0043478 k( 221) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043478 k( 222) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0043478 k( 223) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0043478 k( 224) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0043478 k( 225) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0043478 k( 226) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0043478 k( 227) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0043478 k( 228) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0043478 k( 229) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0043478 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0043478 Dense grid: 178973 G-vectors FFT dimensions: ( 80, 80, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.89 Mb ( 632, 92) NL pseudopotentials 1.91 Mb ( 316, 396) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2487) G-vector shells 0.01 Mb ( 1210) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.55 Mb ( 632, 368) Each subspace H/S matrix 0.06 Mb ( 61, 61) Each matrix 1.11 Mb ( 396, 2, 92) The potential is recalculated from file : ./CsFeCl3.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 6.8 secs Computing kpt #: 2 total cpu time spent up to now is 11.0 secs Computing kpt #: 3 total cpu time spent up to now is 15.2 secs Computing kpt #: 4 total cpu time spent up to now is 20.2 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 27.4 secs Computing kpt #: 6 total cpu time spent up to now is 31.5 secs Computing kpt #: 7 total cpu time spent up to now is 35.5 secs Computing kpt #: 8 total cpu time spent up to now is 39.6 secs Computing kpt #: 9 total cpu time spent up to now is 43.1 secs Computing kpt #: 10 total cpu time spent up to now is 46.7 secs Computing kpt #: 11 total cpu time spent up to now is 50.1 secs Computing kpt #: 12 total cpu time spent up to now is 53.5 secs Computing kpt #: 13 total cpu time spent up to now is 57.2 secs Computing kpt #: 14 total cpu time spent up to now is 61.3 secs Computing kpt #: 15 total cpu time spent up to now is 65.3 secs Computing kpt #: 16 total cpu time spent up to now is 68.8 secs Computing kpt #: 17 total cpu time spent up to now is 72.3 secs Computing kpt #: 18 total cpu time spent up to now is 75.7 secs Computing kpt #: 19 total cpu time spent up to now is 78.9 secs Computing kpt #: 20 total cpu time spent up to now is 82.2 secs Computing kpt #: 21 total cpu time spent up to now is 85.3 secs Computing kpt #: 22 total cpu time spent up to now is 88.6 secs Computing kpt #: 23 total cpu time spent up to now is 91.9 secs Computing kpt #: 24 total cpu time spent up to now is 95.1 secs Computing kpt #: 25 total cpu time spent up to now is 98.4 secs Computing kpt #: 26 total cpu time spent up to now is 101.9 secs Computing kpt #: 27 total cpu time spent up to now is 105.2 secs Computing kpt #: 28 total cpu time spent up to now is 108.6 secs Computing kpt #: 29 total cpu time spent up to now is 111.9 secs Computing kpt #: 30 total cpu time spent up to now is 115.2 secs Computing kpt #: 31 total cpu time spent up to now is 118.6 secs Computing kpt #: 32 total cpu time spent up to now is 122.0 secs Computing kpt #: 33 total cpu time spent up to now is 125.3 secs Computing kpt #: 34 total cpu time spent up to now is 128.5 secs Computing kpt #: 35 total cpu time spent up to now is 131.9 secs Computing kpt #: 36 total cpu time spent up to now is 135.3 secs Computing kpt #: 37 total cpu time spent up to now is 138.9 secs Computing kpt #: 38 total cpu time spent up to now is 142.5 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.5 secs Computing kpt #: 40 total cpu time spent up to now is 152.6 secs Computing kpt #: 41 total cpu time spent up to now is 155.6 secs Computing kpt #: 42 total cpu time spent up to now is 158.7 secs Computing kpt #: 43 total cpu time spent up to now is 161.6 secs Computing kpt #: 44 total cpu time spent up to now is 164.6 secs Computing kpt #: 45 total cpu time spent up to now is 167.8 secs Computing kpt #: 46 total cpu time spent up to now is 170.9 secs Computing kpt #: 47 total cpu time spent up to now is 174.0 secs Computing kpt #: 48 total cpu time spent up to now is 177.3 secs Computing kpt #: 49 total cpu time spent up to now is 180.8 secs Computing kpt #: 50 total cpu time spent up to now is 184.8 secs Computing kpt #: 51 total cpu time spent up to now is 189.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.3 secs Computing kpt #: 53 total cpu time spent up to now is 202.6 secs Computing kpt #: 54 total cpu time spent up to now is 207.9 secs Computing kpt #: 55 total cpu time spent up to now is 213.0 secs Computing kpt #: 56 total cpu time spent up to now is 218.8 secs Computing kpt #: 57 total cpu time spent up to now is 223.8 secs Computing kpt #: 58 total cpu time spent up to now is 229.5 secs Computing kpt #: 59 total cpu time spent up to now is 235.3 secs Computing kpt #: 60 total cpu time spent up to now is 241.2 secs Computing kpt #: 61 total cpu time spent up to now is 246.3 secs Computing kpt #: 62 total cpu time spent up to now is 251.1 secs Computing kpt #: 63 total cpu time spent up to now is 255.9 secs Computing kpt #: 64 total cpu time spent up to now is 260.8 secs Computing kpt #: 65 total cpu time spent up to now is 265.6 secs Computing kpt #: 66 total cpu time spent up to now is 269.9 secs Computing kpt #: 67 total cpu time spent up to now is 274.2 secs Computing kpt #: 68 total cpu time spent up to now is 279.2 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.3 secs Computing kpt #: 70 total cpu time spent up to now is 291.9 secs Computing kpt #: 71 total cpu time spent up to now is 295.7 secs Computing kpt #: 72 total cpu time spent up to now is 299.8 secs Computing kpt #: 73 total cpu time spent up to now is 304.0 secs Computing kpt #: 74 total cpu time spent up to now is 308.2 secs Computing kpt #: 75 total cpu time spent up to now is 313.2 secs Computing kpt #: 76 total cpu time spent up to now is 317.2 secs Computing kpt #: 77 total cpu time spent up to now is 320.4 secs Computing kpt #: 78 total cpu time spent up to now is 323.9 secs Computing kpt #: 79 total cpu time spent up to now is 326.8 secs Computing kpt #: 80 total cpu time spent up to now is 329.8 secs Computing kpt #: 81 total cpu time spent up to now is 332.9 secs Computing kpt #: 82 total cpu time spent up to now is 335.6 secs Computing kpt #: 83 total cpu time spent up to now is 338.7 secs Computing kpt #: 84 total cpu time spent up to now is 341.7 secs Computing kpt #: 85 total cpu time spent up to now is 344.7 secs Computing kpt #: 86 total cpu time spent up to now is 347.7 secs Computing kpt #: 87 total cpu time spent up to now is 350.7 secs Computing kpt #: 88 total cpu time spent up to now is 353.8 secs Computing kpt #: 89 total cpu time spent up to now is 356.8 secs Computing kpt #: 90 total cpu time spent up to now is 359.9 secs Computing kpt #: 91 total cpu time spent up to now is 363.0 secs Computing kpt #: 92 total cpu time spent up to now is 366.1 secs Computing kpt #: 93 total cpu time spent up to now is 369.3 secs Computing kpt #: 94 total cpu time spent up to now is 372.4 secs Computing kpt #: 95 total cpu time spent up to now is 375.4 secs Computing kpt #: 96 total cpu time spent up to now is 378.6 secs Computing kpt #: 97 total cpu time spent up to now is 381.5 secs Computing kpt #: 98 total cpu time spent up to now is 384.6 secs Computing kpt #: 99 total cpu time spent up to now is 387.7 secs Computing kpt #: 100 total cpu time spent up to now is 391.0 secs Computing kpt #: 101 total cpu time spent up to now is 394.2 secs Computing kpt #: 102 total cpu time spent up to now is 397.4 secs Computing kpt #: 103 total cpu time spent up to now is 400.9 secs Computing kpt #: 104 total cpu time spent up to now is 404.3 secs Computing kpt #: 105 total cpu time spent up to now is 407.5 secs Computing kpt #: 106 total cpu time spent up to now is 410.7 secs Computing kpt #: 107 total cpu time spent up to now is 414.0 secs Computing kpt #: 108 total cpu time spent up to now is 417.2 secs Computing kpt #: 109 total cpu time spent up to now is 420.6 secs Computing kpt #: 110 total cpu time spent up to now is 423.8 secs Computing kpt #: 111 total cpu time spent up to now is 427.0 secs Computing kpt #: 112 total cpu time spent up to now is 430.3 secs Computing kpt #: 113 total cpu time spent up to now is 433.4 secs Computing kpt #: 114 total cpu time spent up to now is 436.6 secs Computing kpt #: 115 total cpu time spent up to now is 439.9 secs Computing kpt #: 116 total cpu time spent up to now is 443.8 secs Computing kpt #: 117 total cpu time spent up to now is 447.0 secs Computing kpt #: 118 total cpu time spent up to now is 451.2 secs Computing kpt #: 119 total cpu time spent up to now is 455.1 secs Computing kpt #: 120 total cpu time spent up to now is 459.2 secs Computing kpt #: 121 total cpu time spent up to now is 462.4 secs Computing kpt #: 122 total cpu time spent up to now is 465.8 secs Computing kpt #: 123 total cpu time spent up to now is 469.2 secs Computing kpt #: 124 total cpu time spent up to now is 473.1 secs Computing kpt #: 125 total cpu time spent up to now is 477.1 secs Computing kpt #: 126 total cpu time spent up to now is 480.6 secs Computing kpt #: 127 total cpu time spent up to now is 484.3 secs Computing kpt #: 128 total cpu time spent up to now is 487.9 secs Computing kpt #: 129 total cpu time spent up to now is 491.4 secs Computing kpt #: 130 total cpu time spent up to now is 494.7 secs Computing kpt #: 131 total cpu time spent up to now is 498.0 secs Computing kpt #: 132 total cpu time spent up to now is 501.5 secs Computing kpt #: 133 total cpu time spent up to now is 504.8 secs Computing kpt #: 134 total cpu time spent up to now is 508.6 secs Computing kpt #: 135 total cpu time spent up to now is 511.8 secs Computing kpt #: 136 total cpu time spent up to now is 515.1 secs Computing kpt #: 137 total cpu time spent up to now is 518.6 secs Computing kpt #: 138 total cpu time spent up to now is 521.9 secs Computing kpt #: 139 total cpu time spent up to now is 525.2 secs Computing kpt #: 140 total cpu time spent up to now is 528.3 secs Computing kpt #: 141 total cpu time spent up to now is 531.7 secs Computing kpt #: 142 total cpu time spent up to now is 535.0 secs Computing kpt #: 143 total cpu time spent up to now is 538.2 secs Computing kpt #: 144 total cpu time spent up to now is 541.5 secs Computing kpt #: 145 total cpu time spent up to now is 544.8 secs Computing kpt #: 146 total cpu time spent up to now is 548.1 secs Computing kpt #: 147 total cpu time spent up to now is 551.4 secs Computing kpt #: 148 total cpu time spent up to now is 554.8 secs Computing kpt #: 149 total cpu time spent up to now is 558.1 secs Computing kpt #: 150 total cpu time spent up to now is 561.3 secs Computing kpt #: 151 total cpu time spent up to now is 564.7 secs Computing kpt #: 152 total cpu time spent up to now is 568.0 secs Computing kpt #: 153 total cpu time spent up to now is 571.6 secs Computing kpt #: 154 total cpu time spent up to now is 574.8 secs Computing kpt #: 155 total cpu time spent up to now is 578.1 secs Computing kpt #: 156 total cpu time spent up to now is 581.3 secs Computing kpt #: 157 total cpu time spent up to now is 584.6 secs Computing kpt #: 158 total cpu time spent up to now is 587.9 secs Computing kpt #: 159 total cpu time spent up to now is 591.1 secs Computing kpt #: 160 total cpu time spent up to now is 594.3 secs Computing kpt #: 161 total cpu time spent up to now is 597.5 secs Computing kpt #: 162 total cpu time spent up to now is 600.7 secs Computing kpt #: 163 total cpu time spent up to now is 603.9 secs Computing kpt #: 164 total cpu time spent up to now is 607.0 secs Computing kpt #: 165 total cpu time spent up to now is 610.3 secs Computing kpt #: 166 total cpu time spent up to now is 613.5 secs Computing kpt #: 167 total cpu time spent up to now is 616.6 secs Computing kpt #: 168 total cpu time spent up to now is 619.7 secs Computing kpt #: 169 total cpu time spent up to now is 622.8 secs Computing kpt #: 170 total cpu time spent up to now is 625.9 secs Computing kpt #: 171 total cpu time spent up to now is 629.0 secs Computing kpt #: 172 total cpu time spent up to now is 632.2 secs Computing kpt #: 173 total cpu time spent up to now is 635.4 secs Computing kpt #: 174 total cpu time spent up to now is 638.7 secs Computing kpt #: 175 total cpu time spent up to now is 642.2 secs Computing kpt #: 176 total cpu time spent up to now is 645.5 secs Computing kpt #: 177 total cpu time spent up to now is 649.1 secs Computing kpt #: 178 total cpu time spent up to now is 653.8 secs Computing kpt #: 179 total cpu time spent up to now is 658.1 secs Computing kpt #: 180 total cpu time spent up to now is 663.1 secs Computing kpt #: 181 total cpu time spent up to now is 667.8 secs Computing kpt #: 182 total cpu time spent up to now is 671.8 secs Computing kpt #: 183 total cpu time spent up to now is 675.7 secs Computing kpt #: 184 total cpu time spent up to now is 682.3 secs Computing kpt #: 185 total cpu time spent up to now is 686.1 secs Computing kpt #: 186 total cpu time spent up to now is 689.6 secs Computing kpt #: 187 total cpu time spent up to now is 693.0 secs Computing kpt #: 188 total cpu time spent up to now is 696.2 secs Computing kpt #: 189 total cpu time spent up to now is 699.5 secs Computing kpt #: 190 total cpu time spent up to now is 702.8 secs Computing kpt #: 191 total cpu time spent up to now is 706.1 secs Computing kpt #: 192 total cpu time spent up to now is 709.3 secs Computing kpt #: 193 total cpu time spent up to now is 712.5 secs Computing kpt #: 194 total cpu time spent up to now is 715.8 secs Computing kpt #: 195 total cpu time spent up to now is 719.1 secs Computing kpt #: 196 total cpu time spent up to now is 722.3 secs Computing kpt #: 197 total cpu time spent up to now is 725.5 secs Computing kpt #: 198 total cpu time spent up to now is 728.7 secs Computing kpt #: 199 total cpu time spent up to now is 731.9 secs Computing kpt #: 200 total cpu time spent up to now is 735.1 secs Computing kpt #: 201 total cpu time spent up to now is 738.3 secs Computing kpt #: 202 total cpu time spent up to now is 741.5 secs Computing kpt #: 203 total cpu time spent up to now is 744.4 secs Computing kpt #: 204 total cpu time spent up to now is 747.4 secs Computing kpt #: 205 total cpu time spent up to now is 750.4 secs Computing kpt #: 206 total cpu time spent up to now is 753.3 secs Computing kpt #: 207 total cpu time spent up to now is 756.4 secs Computing kpt #: 208 total cpu time spent up to now is 759.3 secs Computing kpt #: 209 total cpu time spent up to now is 762.2 secs Computing kpt #: 210 total cpu time spent up to now is 765.2 secs Computing kpt #: 211 total cpu time spent up to now is 768.2 secs Computing kpt #: 212 total cpu time spent up to now is 771.2 secs Computing kpt #: 213 total cpu time spent up to now is 774.1 secs Computing kpt #: 214 total cpu time spent up to now is 777.1 secs Computing kpt #: 215 total cpu time spent up to now is 780.0 secs Computing kpt #: 216 total cpu time spent up to now is 783.0 secs Computing kpt #: 217 total cpu time spent up to now is 786.1 secs Computing kpt #: 218 total cpu time spent up to now is 789.1 secs Computing kpt #: 219 total cpu time spent up to now is 792.1 secs Computing kpt #: 220 total cpu time spent up to now is 795.3 secs Computing kpt #: 221 total cpu time spent up to now is 798.6 secs Computing kpt #: 222 total cpu time spent up to now is 801.9 secs Computing kpt #: 223 total cpu time spent up to now is 805.2 secs Computing kpt #: 224 total cpu time spent up to now is 808.9 secs Computing kpt #: 225 total cpu time spent up to now is 812.2 secs Computing kpt #: 226 total cpu time spent up to now is 815.4 secs Computing kpt #: 227 total cpu time spent up to now is 818.7 secs Computing kpt #: 228 total cpu time spent up to now is 822.0 secs Computing kpt #: 229 total cpu time spent up to now is 825.2 secs Computing kpt #: 230 total cpu time spent up to now is 828.5 secs ethr = 1.32E-08, avg # of iterations = 35.7 total cpu time spent up to now is 828.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22395 PWs) bands (ev): -14.9012 -14.9012 -14.8666 -14.8666 -10.7852 -10.7852 -10.2918 -10.2918 -10.2544 -10.2544 -10.2522 -10.2522 -10.0894 -10.0894 -10.0891 -10.0891 -3.7980 -3.7980 -3.6483 -3.6483 -2.4895 -2.4895 -2.4883 -2.4883 -2.2430 -2.2430 -2.2105 -2.2105 -0.8142 -0.8142 -0.0447 -0.0447 0.0829 0.0829 0.8819 0.8819 0.8829 0.8829 0.8951 0.8951 0.9288 0.9288 1.1756 1.1756 1.1986 1.1986 1.3646 1.3646 1.3674 1.3674 1.6937 1.6937 1.7890 1.7890 2.0832 2.0832 2.2981 2.2981 2.4643 2.4643 2.5146 2.5146 2.6771 2.6771 4.0790 4.0790 4.7661 4.7661 4.7889 4.7889 4.8404 4.8404 4.8962 4.8962 5.4302 5.4302 5.5245 5.5245 5.5630 5.5630 6.0767 6.0767 6.0926 6.0926 8.3013 8.3013 9.5737 9.5737 9.8958 9.8958 9.9467 9.9467 k = 0.0192 0.0111-0.0000 ( 22403 PWs) bands (ev): -14.9011 -14.9011 -14.8666 -14.8666 -10.7851 -10.7851 -10.2916 -10.2916 -10.2545 -10.2545 -10.2523 -10.2523 -10.0894 -10.0894 -10.0892 -10.0892 -3.7976 -3.7976 -3.6483 -3.6483 -2.4888 -2.4888 -2.4878 -2.4878 -2.2427 -2.2427 -2.2106 -2.2106 -0.8131 -0.8131 -0.0454 -0.0454 0.0837 0.0837 0.8813 0.8813 0.8826 0.8826 0.8958 0.8958 0.9283 0.9283 1.1752 1.1752 1.1983 1.1983 1.3648 1.3648 1.3676 1.3676 1.6928 1.6928 1.7880 1.7880 2.0822 2.0822 2.2975 2.2975 2.4634 2.4634 2.5129 2.5129 2.6763 2.6763 4.0793 4.0793 4.7661 4.7661 4.7890 4.7890 4.8405 4.8405 4.8965 4.8965 5.4302 5.4302 5.5246 5.5246 5.5631 5.5631 6.0760 6.0760 6.0920 6.0920 8.3049 8.3049 9.5773 9.5773 9.8981 9.8981 9.9491 9.9491 k = 0.0385 0.0222-0.0000 ( 22415 PWs) bands (ev): -14.9010 -14.9010 -14.8666 -14.8666 -10.7849 -10.7849 -10.2912 -10.2912 -10.2550 -10.2550 -10.2527 -10.2527 -10.0899 -10.0899 -10.0891 -10.0891 -3.7966 -3.7966 -3.6481 -3.6481 -2.4872 -2.4872 -2.4860 -2.4860 -2.2419 -2.2419 -2.2107 -2.2107 -0.8098 -0.8098 -0.0477 -0.0477 0.0860 0.0860 0.8795 0.8795 0.8820 0.8820 0.8977 0.8977 0.9268 0.9268 1.1736 1.1736 1.1975 1.1975 1.3655 1.3655 1.3684 1.3684 1.6902 1.6902 1.7851 1.7851 2.0791 2.0791 2.2955 2.2955 2.4607 2.4607 2.5081 2.5081 2.6739 2.6739 4.0804 4.0804 4.7662 4.7662 4.7891 4.7891 4.8411 4.8411 4.8972 4.8972 5.4302 5.4302 5.5250 5.5250 5.5635 5.5635 6.0739 6.0739 6.0905 6.0905 8.3159 8.3159 9.5883 9.5883 9.9048 9.9048 9.9564 9.9564 k = 0.0577 0.0333-0.0000 ( 22433 PWs) bands (ev): -14.9008 -14.9008 -14.8667 -14.8667 -10.7846 -10.7846 -10.2906 -10.2906 -10.2558 -10.2558 -10.2532 -10.2532 -10.0906 -10.0906 -10.0890 -10.0890 -3.7950 -3.7950 -3.6478 -3.6478 -2.4851 -2.4851 -2.4823 -2.4823 -2.2407 -2.2407 -2.2109 -2.2109 -0.8043 -0.8043 -0.0515 -0.0515 0.0900 0.0900 0.8767 0.8767 0.8812 0.8812 0.9002 0.9002 0.9245 0.9245 1.1704 1.1704 1.1970 1.1970 1.3666 1.3666 1.3697 1.3697 1.6858 1.6858 1.7804 1.7804 2.0740 2.0740 2.2921 2.2921 2.4556 2.4556 2.5009 2.5009 2.6700 2.6700 4.0821 4.0821 4.7663 4.7663 4.7892 4.7892 4.8419 4.8419 4.8984 4.8984 5.4302 5.4302 5.5257 5.5257 5.5641 5.5641 6.0698 6.0698 6.0888 6.0888 8.3341 8.3341 9.6064 9.6064 9.9151 9.9151 9.9690 9.9690 k = 0.0769 0.0444-0.0000 ( 22435 PWs) bands (ev): -14.9006 -14.9006 -14.8669 -14.8669 -10.7841 -10.7841 -10.2897 -10.2897 -10.2572 -10.2572 -10.2536 -10.2536 -10.0916 -10.0916 -10.0889 -10.0889 -3.7927 -3.7927 -3.6474 -3.6474 -2.4824 -2.4824 -2.4771 -2.4771 -2.2390 -2.2390 -2.2112 -2.2112 -0.7967 -0.7967 -0.0567 -0.0567 0.0954 0.0954 0.8729 0.8729 0.8801 0.8801 0.9028 0.9028 0.9219 0.9219 1.1650 1.1650 1.1972 1.1972 1.3679 1.3679 1.3717 1.3717 1.6792 1.6792 1.7743 1.7743 2.0670 2.0670 2.2869 2.2869 2.4478 2.4478 2.4924 2.4924 2.6645 2.6645 4.0844 4.0844 4.7665 4.7665 4.7894 4.7894 4.8430 4.8430 4.9002 4.9002 5.4301 5.4301 5.5266 5.5266 5.5649 5.5649 6.0631 6.0631 6.0874 6.0874 8.3594 8.3594 9.6313 9.6313 9.9281 9.9281 9.9871 9.9873 k = 0.0962 0.0555-0.0000 ( 22437 PWs) bands (ev): -14.9002 -14.9002 -14.8670 -14.8670 -10.7836 -10.7836 -10.2886 -10.2886 -10.2589 -10.2589 -10.2541 -10.2541 -10.0929 -10.0929 -10.0887 -10.0887 -3.7898 -3.7898 -3.6469 -3.6469 -2.4791 -2.4791 -2.4704 -2.4704 -2.2368 -2.2368 -2.2115 -2.2115 -0.7869 -0.7869 -0.0632 -0.0632 0.1024 0.1024 0.8680 0.8680 0.8787 0.8787 0.9050 0.9050 0.9200 0.9200 1.1573 1.1573 1.1985 1.1985 1.3695 1.3695 1.3743 1.3743 1.6704 1.6704 1.7670 1.7670 2.0582 2.0582 2.2794 2.2794 2.4368 2.4368 2.4840 2.4840 2.6577 2.6577 4.0873 4.0873 4.7667 4.7667 4.7897 4.7897 4.8442 4.8442 4.9024 4.9024 5.4301 5.4301 5.5278 5.5278 5.5659 5.5659 6.0539 6.0539 6.0864 6.0864 8.3914 8.3914 9.6628 9.6628 9.9428 9.9428 9.9960 9.9960 k = 0.1154 0.0666-0.0000 ( 22445 PWs) bands (ev): -14.8998 -14.8998 -14.8672 -14.8672 -10.7829 -10.7829 -10.2874 -10.2874 -10.2608 -10.2608 -10.2546 -10.2546 -10.0946 -10.0946 -10.0884 -10.0884 -3.7863 -3.7863 -3.6463 -3.6463 -2.4750 -2.4750 -2.4623 -2.4623 -2.2344 -2.2344 -2.2118 -2.2118 -0.7752 -0.7752 -0.0709 -0.0709 0.1108 0.1108 0.8615 0.8615 0.8771 0.8771 0.9058 0.9058 0.9198 0.9198 1.1476 1.1476 1.2008 1.2008 1.3712 1.3712 1.3774 1.3774 1.6589 1.6589 1.7590 1.7590 2.0479 2.0479 2.2688 2.2688 2.4231 2.4231 2.4762 2.4762 2.6495 2.6495 4.0906 4.0906 4.7669 4.7669 4.7900 4.7900 4.8456 4.8456 4.9051 4.9051 5.4300 5.4300 5.5292 5.5292 5.5671 5.5671 6.0427 6.0427 6.0857 6.0857 8.4301 8.4301 9.7004 9.7004 9.9580 9.9580 9.9935 9.9935 k = 0.1346 0.0777-0.0000 ( 22444 PWs) bands (ev): -14.8994 -14.8994 -14.8675 -14.8675 -10.7821 -10.7821 -10.2862 -10.2862 -10.2629 -10.2629 -10.2552 -10.2552 -10.0965 -10.0965 -10.0881 -10.0881 -3.7823 -3.7823 -3.6456 -3.6456 -2.4703 -2.4703 -2.4529 -2.4529 -2.2318 -2.2318 -2.2121 -2.2121 -0.7616 -0.7616 -0.0797 -0.0797 0.1205 0.1205 0.8532 0.8532 0.8753 0.8753 0.9053 0.9053 0.9217 0.9217 1.1363 1.1363 1.2039 1.2039 1.3732 1.3732 1.3810 1.3810 1.6447 1.6447 1.7505 1.7505 2.0363 2.0363 2.2542 2.2542 2.4081 2.4081 2.4693 2.4693 2.6402 2.6402 4.0943 4.0943 4.7671 4.7671 4.7904 4.7904 4.8470 4.8470 4.9084 4.9084 5.4299 5.4299 5.5308 5.5308 5.5684 5.5684 6.0297 6.0297 6.0853 6.0853 8.4750 8.4750 9.7436 9.7436 9.9723 9.9723 9.9869 9.9869 k = 0.1538 0.0888-0.0000 ( 22418 PWs) bands (ev): -14.8988 -14.8988 -14.8678 -14.8678 -10.7812 -10.7812 -10.2853 -10.2853 -10.2647 -10.2647 -10.2558 -10.2558 -10.0987 -10.0987 -10.0878 -10.0878 -3.7778 -3.7778 -3.6450 -3.6450 -2.4649 -2.4649 -2.4424 -2.4424 -2.2293 -2.2293 -2.2121 -2.2121 -0.7463 -0.7463 -0.0894 -0.0894 0.1316 0.1316 0.8430 0.8430 0.8732 0.8732 0.9043 0.9043 0.9249 0.9249 1.1236 1.1236 1.2077 1.2077 1.3753 1.3753 1.3850 1.3850 1.6277 1.6277 1.7417 1.7417 2.0235 2.0235 2.2349 2.2349 2.3933 2.3933 2.4628 2.4628 2.6298 2.6298 4.0983 4.0983 4.7673 4.7673 4.7907 4.7907 4.8484 4.8484 4.9121 4.9121 5.4298 5.4298 5.5325 5.5325 5.5700 5.5700 6.0153 6.0153 6.0850 6.0850 8.5258 8.5258 9.7917 9.7917 9.9716 9.9716 9.9891 9.9891 k = 0.1731 0.0999-0.0000 ( 22430 PWs) bands (ev): -14.8982 -14.8982 -14.8681 -14.8681 -10.7802 -10.7802 -10.2851 -10.2851 -10.2659 -10.2659 -10.2564 -10.2564 -10.1012 -10.1012 -10.0875 -10.0875 -3.7729 -3.7729 -3.6443 -3.6443 -2.4590 -2.4590 -2.4307 -2.4307 -2.2270 -2.2270 -2.2117 -2.2117 -0.7293 -0.7293 -0.0998 -0.0998 0.1439 0.1439 0.8310 0.8310 0.8710 0.8710 0.9035 0.9035 0.9286 0.9286 1.1100 1.1100 1.2120 1.2120 1.3775 1.3775 1.3893 1.3893 1.6079 1.6079 1.7329 1.7329 2.0099 2.0099 2.2104 2.2104 2.3801 2.3801 2.4566 2.4566 2.6185 2.6185 4.1024 4.1024 4.7676 4.7676 4.7912 4.7912 4.8498 4.8498 4.9162 4.9162 5.4297 5.4297 5.5344 5.5344 5.5716 5.5716 5.9998 5.9998 6.0849 6.0849 8.5820 8.5820 9.8438 9.8438 9.9577 9.9577 9.9982 9.9982 k = 0.1923 0.1110-0.0000 ( 22438 PWs) bands (ev): -14.8976 -14.8976 -14.8684 -14.8684 -10.7791 -10.7791 -10.2859 -10.2859 -10.2660 -10.2660 -10.2571 -10.2571 -10.1040 -10.1040 -10.0872 -10.0872 -3.7676 -3.7676 -3.6437 -3.6437 -2.4526 -2.4526 -2.4181 -2.4181 -2.2256 -2.2256 -2.2105 -2.2105 -0.7109 -0.7109 -0.1108 -0.1108 0.1574 0.1574 0.8173 0.8173 0.8687 0.8687 0.9031 0.9031 0.9325 0.9325 1.0958 1.0958 1.2169 1.2169 1.3799 1.3799 1.3939 1.3939 1.5855 1.5855 1.7239 1.7239 1.9958 1.9958 2.1810 2.1810 2.3689 2.3689 2.4507 2.4507 2.6066 2.6066 4.1067 4.1067 4.7678 4.7678 4.7916 4.7916 4.8510 4.8510 4.9206 4.9206 5.4296 5.4296 5.5364 5.5364 5.5733 5.5733 5.9836 5.9836 6.0848 6.0848 8.6434 8.6434 9.8989 9.8989 9.9419 9.9419 10.0040 10.0040 k = 0.2115 0.1221-0.0000 ( 22444 PWs) bands (ev): -14.8969 -14.8969 -14.8688 -14.8688 -10.7779 -10.7779 -10.2878 -10.2878 -10.2650 -10.2650 -10.2578 -10.2578 -10.1071 -10.1071 -10.0868 -10.0868 -3.7619 -3.7619 -3.6431 -3.6431 -2.4457 -2.4457 -2.4046 -2.4046 -2.2252 -2.2252 -2.2083 -2.2083 -0.6913 -0.6913 -0.1223 -0.1223 0.1719 0.1719 0.8021 0.8021 0.8663 0.8663 0.9031 0.9031 0.9362 0.9362 1.0815 1.0815 1.2222 1.2222 1.3824 1.3824 1.3986 1.3986 1.5609 1.5609 1.7148 1.7148 1.9814 1.9814 2.1476 2.1476 2.3596 2.3596 2.4449 2.4449 2.5940 2.5940 4.1110 4.1110 4.7681 4.7681 4.7921 4.7921 4.8522 4.8522 4.9253 4.9253 5.4294 5.4294 5.5385 5.5385 5.5751 5.5751 5.9669 5.9669 6.0847 6.0847 8.7093 8.7093 9.9239 9.9239 9.9567 9.9567 10.0077 10.0077 k = 0.2308 0.1332-0.0000 ( 22432 PWs) bands (ev): -14.8961 -14.8961 -14.8693 -14.8693 -10.7767 -10.7767 -10.2906 -10.2906 -10.2629 -10.2629 -10.2584 -10.2584 -10.1104 -10.1104 -10.0864 -10.0864 -3.7560 -3.7560 -3.6426 -3.6426 -2.4384 -2.4384 -2.3904 -2.3904 -2.2257 -2.2257 -2.2054 -2.2054 -0.6706 -0.6706 -0.1340 -0.1340 0.1874 0.1874 0.7858 0.7858 0.8638 0.8638 0.9035 0.9035 0.9397 0.9397 1.0676 1.0676 1.2279 1.2279 1.3849 1.3849 1.4035 1.4035 1.5342 1.5342 1.7055 1.7055 1.9671 1.9671 2.1113 2.1113 2.3517 2.3517 2.4394 2.4394 2.5811 2.5811 4.1153 4.1153 4.7683 4.7683 4.7925 4.7925 4.8533 4.8533 4.9301 4.9301 5.4293 5.4293 5.5406 5.5406 5.5770 5.5770 5.9499 5.9499 6.0848 6.0848 8.7794 8.7794 9.9068 9.9068 10.0099 10.0099 10.0128 10.0128 k = 0.2500 0.1443-0.0000 ( 22442 PWs) bands (ev): -14.8954 -14.8954 -14.8697 -14.8697 -10.7755 -10.7755 -10.2940 -10.2940 -10.2603 -10.2603 -10.2590 -10.2590 -10.1140 -10.1140 -10.0861 -10.0861 -3.7499 -3.7499 -3.6421 -3.6421 -2.4307 -2.4307 -2.3757 -2.3757 -2.2269 -2.2269 -2.2021 -2.2021 -0.6492 -0.6492 -0.1457 -0.1457 0.2037 0.2037 0.7683 0.7683 0.8613 0.8613 0.9041 0.9041 0.9426 0.9426 1.0546 1.0546 1.2339 1.2339 1.3874 1.3874 1.4083 1.4083 1.5059 1.5059 1.6960 1.6960 1.9530 1.9530 2.0729 2.0729 2.3449 2.3449 2.4341 2.4341 2.5681 2.5681 4.1194 4.1194 4.7686 4.7686 4.7930 4.7930 4.8543 4.8543 4.9349 4.9349 5.4291 5.4291 5.5428 5.5428 5.5789 5.5789 5.9331 5.9331 6.0848 6.0848 8.8531 8.8531 9.8894 9.8894 10.0125 10.0125 10.0627 10.0627 k = 0.2692 0.1554-0.0000 ( 22434 PWs) bands (ev): -14.8946 -14.8946 -14.8702 -14.8702 -10.7743 -10.7743 -10.2976 -10.2976 -10.2600 -10.2600 -10.2567 -10.2567 -10.1177 -10.1177 -10.0857 -10.0857 -3.7437 -3.7437 -3.6419 -3.6419 -2.4228 -2.4228 -2.3606 -2.3606 -2.2286 -2.2286 -2.1986 -2.1986 -0.6272 -0.6272 -0.1574 -0.1574 0.2207 0.2207 0.7500 0.7500 0.8589 0.8589 0.9050 0.9050 0.9447 0.9447 1.0429 1.0429 1.2401 1.2401 1.3899 1.3899 1.4130 1.4130 1.4763 1.4763 1.6861 1.6861 1.9394 1.9394 2.0336 2.0336 2.3388 2.3388 2.4292 2.4292 2.5550 2.5550 4.1234 4.1234 4.7688 4.7688 4.7935 4.7935 4.8551 4.8551 4.9397 4.9397 5.4289 5.4289 5.5449 5.5449 5.5807 5.5807 5.9165 5.9165 6.0850 6.0850 8.9300 8.9300 9.8723 9.8723 10.0145 10.0145 10.1024 10.1024 k = 0.2885 0.1665-0.0000 ( 22410 PWs) bands (ev): -14.8937 -14.8937 -14.8707 -14.8707 -10.7730 -10.7730 -10.3013 -10.3013 -10.2606 -10.2606 -10.2531 -10.2531 -10.1217 -10.1217 -10.0853 -10.0853 -3.7374 -3.7374 -3.6418 -3.6418 -2.4147 -2.4147 -2.3454 -2.3454 -2.2306 -2.2306 -2.1953 -2.1953 -0.6051 -0.6051 -0.1688 -0.1688 0.2384 0.2384 0.7308 0.7308 0.8566 0.8566 0.9060 0.9060 0.9460 0.9460 1.0331 1.0331 1.2465 1.2465 1.3923 1.3923 1.4177 1.4177 1.4458 1.4458 1.6761 1.6761 1.9266 1.9266 1.9942 1.9942 2.3333 2.3333 2.4246 2.4246 2.5422 2.5422 4.1272 4.1272 4.7690 4.7690 4.7939 4.7939 4.8559 4.8559 4.9444 4.9444 5.4288 5.4288 5.5470 5.5470 5.5826 5.5826 5.9005 5.9005 6.0852 6.0852 9.0095 9.0095 9.8557 9.8557 10.0162 10.0162 10.1319 10.1319 k = 0.3077 0.1776-0.0000 ( 22412 PWs) bands (ev): -14.8929 -14.8929 -14.8713 -14.8713 -10.7718 -10.7718 -10.3051 -10.3051 -10.2613 -10.2613 -10.2493 -10.2493 -10.1258 -10.1258 -10.0850 -10.0850 -3.7311 -3.7311 -3.6419 -3.6419 -2.4065 -2.4065 -2.3300 -2.3300 -2.2330 -2.2330 -2.1923 -2.1923 -0.5831 -0.5831 -0.1798 -0.1798 0.2566 0.2566 0.7109 0.7109 0.8544 0.8544 0.9071 0.9071 0.9463 0.9463 1.0255 1.0255 1.2529 1.2529 1.3946 1.3946 1.4147 1.4147 1.4221 1.4221 1.6659 1.6659 1.9146 1.9146 1.9556 1.9556 2.3282 2.3282 2.4205 2.4205 2.5297 2.5297 4.1307 4.1307 4.7693 4.7693 4.7943 4.7943 4.8566 4.8566 4.9489 4.9489 5.4286 5.4286 5.5490 5.5490 5.5844 5.5844 5.8852 5.8852 6.0854 6.0854 9.0911 9.0911 9.8399 9.8399 10.0178 10.0178 10.1545 10.1545 k = 0.3269 0.1887-0.0000 ( 22410 PWs) bands (ev): -14.8920 -14.8920 -14.8718 -14.8718 -10.7706 -10.7706 -10.3087 -10.3087 -10.2619 -10.2619 -10.2452 -10.2452 -10.1301 -10.1301 -10.0847 -10.0847 -3.7249 -3.7249 -3.6422 -3.6422 -2.3984 -2.3984 -2.3149 -2.3149 -2.2355 -2.2355 -2.1897 -2.1897 -0.5617 -0.5617 -0.1902 -0.1902 0.2753 0.2753 0.6904 0.6904 0.8524 0.8524 0.9083 0.9083 0.9459 0.9459 1.0204 1.0204 1.2593 1.2593 1.3831 1.3831 1.3970 1.3970 1.4262 1.4262 1.6558 1.6558 1.9032 1.9032 1.9187 1.9187 2.3235 2.3235 2.4168 2.4168 2.5178 2.5178 4.1340 4.1340 4.7694 4.7694 4.7947 4.7947 4.8573 4.8573 4.9532 4.9532 5.4284 5.4284 5.5509 5.5509 5.5860 5.5860 5.8709 5.8709 6.0856 6.0856 9.1743 9.1743 9.8251 9.8251 10.0193 10.0193 10.1708 10.1708 k = 0.3462 0.1999-0.0000 ( 22394 PWs) bands (ev): -14.8912 -14.8912 -14.8724 -14.8724 -10.7694 -10.7694 -10.3122 -10.3122 -10.2625 -10.2625 -10.2410 -10.2410 -10.1344 -10.1344 -10.0844 -10.0844 -3.7188 -3.7188 -3.6426 -3.6426 -2.3903 -2.3903 -2.3002 -2.3002 -2.2383 -2.2383 -2.1876 -2.1876 -0.5411 -0.5411 -0.2000 -0.2000 0.2943 0.2943 0.6693 0.6693 0.8505 0.8505 0.9095 0.9095 0.9450 0.9450 1.0176 1.0176 1.2655 1.2655 1.3520 1.3520 1.3990 1.3990 1.4300 1.4300 1.6458 1.6458 1.8814 1.8814 1.8952 1.8952 2.3191 2.3191 2.4136 2.4136 2.5066 2.5066 4.1369 4.1369 4.7696 4.7696 4.7951 4.7951 4.8578 4.8578 4.9571 4.9571 5.4282 5.4282 5.5526 5.5526 5.5876 5.5876 5.8577 5.8577 6.0859 6.0859 9.2584 9.2584 9.8114 9.8114 10.0207 10.0207 10.1799 10.1799 k = 0.3654 0.2110-0.0000 ( 22396 PWs) bands (ev): -14.8904 -14.8904 -14.8730 -14.8730 -10.7684 -10.7684 -10.3154 -10.3154 -10.2630 -10.2630 -10.2368 -10.2368 -10.1387 -10.1387 -10.0841 -10.0841 -3.7130 -3.7130 -3.6434 -3.6434 -2.3825 -2.3825 -2.2860 -2.2860 -2.2411 -2.2411 -2.1862 -2.1862 -0.5217 -0.5217 -0.2089 -0.2089 0.3136 0.3136 0.6478 0.6478 0.8489 0.8489 0.9106 0.9106 0.9444 0.9444 1.0166 1.0166 1.2715 1.2715 1.3214 1.3214 1.4008 1.4008 1.4334 1.4334 1.6363 1.6363 1.8492 1.8492 1.8860 1.8860 2.3151 2.3151 2.4109 2.4109 2.4962 2.4962 4.1396 4.1396 4.7698 4.7698 4.7955 4.7955 4.8583 4.8583 4.9606 4.9606 5.4280 5.4280 5.5542 5.5542 5.5891 5.5891 5.8457 5.8457 6.0862 6.0862 9.3429 9.3429 9.7991 9.7991 10.0220 10.0220 10.1800 10.1800 k = 0.3846 0.2221-0.0000 ( 22382 PWs) bands (ev): -14.8896 -14.8896 -14.8735 -14.8735 -10.7674 -10.7674 -10.3182 -10.3182 -10.2635 -10.2635 -10.2327 -10.2327 -10.1430 -10.1430 -10.0839 -10.0839 -3.7076 -3.7076 -3.6443 -3.6443 -2.3751 -2.3751 -2.2728 -2.2728 -2.2437 -2.2437 -2.1855 -2.1855 -0.5040 -0.5040 -0.2168 -0.2168 0.3332 0.3332 0.6259 0.6259 0.8475 0.8475 0.9117 0.9117 0.9446 0.9446 1.0171 1.0171 1.2771 1.2771 1.2920 1.2920 1.4025 1.4025 1.4364 1.4364 1.6274 1.6274 1.8196 1.8196 1.8785 1.8785 2.3115 2.3115 2.4086 2.4086 2.4869 2.4869 4.1419 4.1419 4.7699 4.7699 4.7958 4.7958 4.8588 4.8588 4.9638 4.9638 5.4279 5.4279 5.5557 5.5557 5.5904 5.5904 5.8350 5.8350 6.0864 6.0864 9.4272 9.4272 9.7881 9.7881 10.0231 10.0231 10.1695 10.1695 k = 0.4038 0.2332-0.0000 ( 22356 PWs) bands (ev): -14.8888 -14.8888 -14.8741 -14.8741 -10.7666 -10.7666 -10.3208 -10.3208 -10.2639 -10.2639 -10.2287 -10.2287 -10.1471 -10.1471 -10.0836 -10.0836 -3.7025 -3.7025 -3.6453 -3.6453 -2.3683 -2.3683 -2.2614 -2.2614 -2.2454 -2.2454 -2.1857 -2.1857 -0.4883 -0.4883 -0.2238 -0.2238 0.3528 0.3528 0.6039 0.6039 0.8463 0.8463 0.9126 0.9126 0.9456 0.9456 1.0188 1.0188 1.2642 1.2642 1.2822 1.2822 1.4040 1.4040 1.4390 1.4390 1.6194 1.6194 1.7936 1.7936 1.8722 1.8722 2.3083 2.3083 2.4068 2.4068 2.4787 2.4787 4.1439 4.1439 4.7700 4.7700 4.7960 4.7960 4.8591 4.8591 4.9665 4.9665 5.4277 5.4277 5.5569 5.5569 5.5915 5.5915 5.8258 5.8258 6.0867 6.0867 9.5105 9.5105 9.7787 9.7787 10.0240 10.0240 10.1484 10.1484 k = 0.4231 0.2443-0.0000 ( 22382 PWs) bands (ev): -14.8882 -14.8882 -14.8746 -14.8746 -10.7658 -10.7658 -10.3229 -10.3229 -10.2643 -10.2643 -10.2250 -10.2250 -10.1509 -10.1509 -10.0835 -10.0835 -3.6980 -3.6980 -3.6465 -3.6465 -2.3622 -2.3622 -2.2555 -2.2555 -2.2426 -2.2426 -2.1868 -2.1868 -0.4749 -0.4749 -0.2296 -0.2296 0.3724 0.3724 0.5822 0.5822 0.8454 0.8454 0.9133 0.9133 0.9476 0.9476 1.0212 1.0212 1.2389 1.2389 1.2865 1.2865 1.4052 1.4052 1.4411 1.4411 1.6125 1.6125 1.7716 1.7716 1.8671 1.8671 2.3056 2.3056 2.4053 2.4053 2.4719 2.4719 4.1455 4.1455 4.7701 4.7701 4.7962 4.7962 4.8594 4.8594 4.9687 4.9687 5.4276 5.4276 5.5579 5.5579 5.5925 5.5925 5.8182 5.8182 6.0869 6.0869 9.5921 9.5921 9.7709 9.7709 10.0249 10.0249 10.1170 10.1170 k = 0.4423 0.2554-0.0000 ( 22376 PWs) bands (ev): -14.8876 -14.8876 -14.8750 -14.8750 -10.7653 -10.7653 -10.3246 -10.3246 -10.2645 -10.2645 -10.2217 -10.2217 -10.1542 -10.1542 -10.0833 -10.0833 -3.6942 -3.6942 -3.6476 -3.6476 -2.3571 -2.3571 -2.2557 -2.2557 -2.2345 -2.2345 -2.1888 -2.1888 -0.4642 -0.4642 -0.2342 -0.2342 0.3914 0.3914 0.5612 0.5612 0.8446 0.8446 0.9139 0.9139 0.9502 0.9502 1.0242 1.0242 1.2170 1.2170 1.2901 1.2901 1.4061 1.4061 1.4428 1.4428 1.6069 1.6069 1.7541 1.7541 1.8631 1.8631 2.3034 2.3034 2.4043 2.4043 2.4664 2.4664 4.1468 4.1468 4.7702 4.7702 4.7964 4.7964 4.8597 4.8597 4.9705 4.9705 5.4275 5.4275 5.5587 5.5587 5.5932 5.5932 5.8122 5.8122 6.0870 6.0870 9.6708 9.6708 9.7648 9.7648 10.0255 10.0255 10.0769 10.0769 k = 0.4615 0.2665-0.0000 ( 22376 PWs) bands (ev): -14.8872 -14.8872 -14.8753 -14.8753 -10.7648 -10.7648 -10.3258 -10.3258 -10.2647 -10.2647 -10.2191 -10.2191 -10.1568 -10.1568 -10.0832 -10.0832 -3.6913 -3.6913 -3.6486 -3.6486 -2.3531 -2.3531 -2.2572 -2.2572 -2.2262 -2.2262 -2.1915 -2.1915 -0.4563 -0.4563 -0.2375 -0.2375 0.4088 0.4088 0.5423 0.5423 0.8441 0.8441 0.9143 0.9143 0.9526 0.9526 1.0272 1.0272 1.1997 1.1997 1.2928 1.2928 1.4068 1.4068 1.4440 1.4440 1.6029 1.6029 1.7413 1.7413 1.8603 1.8603 2.3019 2.3019 2.4035 2.4035 2.4624 2.4624 4.1477 4.1477 4.7703 4.7703 4.7965 4.7965 4.8598 4.8598 4.9718 4.9718 5.4274 5.4274 5.5593 5.5593 5.5938 5.5938 5.8079 5.8079 6.0872 6.0872 9.7448 9.7448 9.7608 9.7608 10.0255 10.0255 10.0302 10.0302 k = 0.4808 0.2776-0.0000 ( 22378 PWs) bands (ev): -14.8869 -14.8869 -14.8756 -14.8756 -10.7646 -10.7646 -10.3266 -10.3266 -10.2649 -10.2649 -10.2174 -10.2174 -10.1585 -10.1585 -10.0832 -10.0832 -3.6894 -3.6894 -3.6493 -3.6493 -2.3507 -2.3507 -2.2583 -2.2583 -2.2200 -2.2200 -2.1942 -2.1942 -0.4516 -0.4516 -0.2395 -0.2395 0.4223 0.4223 0.5278 0.5278 0.8437 0.8437 0.9145 0.9145 0.9544 0.9544 1.0295 1.0295 1.1884 1.1884 1.2944 1.2944 1.4072 1.4072 1.4447 1.4447 1.6004 1.6004 1.7335 1.7335 1.8587 1.8587 2.3009 2.3009 2.4031 2.4031 2.4600 2.4600 4.1482 4.1482 4.7703 4.7703 4.7966 4.7966 4.8599 4.8599 4.9725 4.9725 5.4274 5.4274 5.5597 5.5597 5.5941 5.5941 5.8053 5.8053 6.0873 6.0873 9.7574 9.7574 9.8113 9.8113 9.9802 9.9802 10.0263 10.0263 k = 0.5000 0.2887-0.0000 ( 22370 PWs) bands (ev): -14.8868 -14.8868 -14.8756 -14.8756 -10.7645 -10.7645 -10.3268 -10.3268 -10.2649 -10.2649 -10.2169 -10.2169 -10.1591 -10.1591 -10.0831 -10.0831 -3.6888 -3.6888 -3.6496 -3.6496 -2.3498 -2.3498 -2.2587 -2.2587 -2.2174 -2.2174 -2.1955 -2.1955 -0.4500 -0.4500 -0.2402 -0.2402 0.4277 0.4277 0.5220 0.5220 0.8436 0.8436 0.9146 0.9146 0.9550 0.9550 1.0305 1.0305 1.1844 1.1844 1.2950 1.2950 1.4074 1.4074 1.4449 1.4449 1.5995 1.5995 1.7309 1.7309 1.8581 1.8581 2.3006 2.3006 2.4030 2.4030 2.4591 2.4591 4.1484 4.1484 4.7703 4.7703 4.7966 4.7966 4.8600 4.8600 4.9728 4.9728 5.4273 5.4273 5.5598 5.5598 5.5942 5.5942 5.8044 5.8044 6.0873 6.0873 9.7566 9.7566 9.8464 9.8464 9.9505 9.9505 10.0264 10.0264 k = 0.5000 0.2887-0.0000 ( 22370 PWs) bands (ev): -14.8868 -14.8868 -14.8756 -14.8756 -10.7645 -10.7645 -10.3268 -10.3268 -10.2649 -10.2649 -10.2169 -10.2169 -10.1591 -10.1591 -10.0831 -10.0831 -3.6888 -3.6888 -3.6496 -3.6496 -2.3498 -2.3498 -2.2587 -2.2587 -2.2174 -2.2174 -2.1955 -2.1955 -0.4500 -0.4500 -0.2402 -0.2402 0.4277 0.4277 0.5220 0.5220 0.8436 0.8436 0.9146 0.9146 0.9550 0.9550 1.0305 1.0305 1.1844 1.1844 1.2950 1.2950 1.4074 1.4074 1.4449 1.4449 1.5995 1.5995 1.7309 1.7309 1.8581 1.8581 2.3006 2.3006 2.4030 2.4030 2.4591 2.4591 4.1484 4.1484 4.7703 4.7703 4.7966 4.7966 4.8600 4.8600 4.9728 4.9728 5.4273 5.4273 5.5598 5.5598 5.5942 5.5942 5.8044 5.8044 6.0873 6.0873 9.7566 9.7566 9.8464 9.8464 9.9505 9.9505 10.0264 10.0264 k = 0.4889 0.3079-0.0000 ( 22382 PWs) bands (ev): -14.8868 -14.8868 -14.8757 -14.8757 -10.7645 -10.7645 -10.3267 -10.3267 -10.2653 -10.2653 -10.2169 -10.2169 -10.1587 -10.1587 -10.0833 -10.0833 -3.6886 -3.6886 -3.6496 -3.6496 -2.3495 -2.3495 -2.2587 -2.2587 -2.2173 -2.2173 -2.1956 -2.1956 -0.4492 -0.4492 -0.2405 -0.2405 0.4286 0.4286 0.5219 0.5219 0.8441 0.8441 0.9083 0.9083 0.9578 0.9578 1.0318 1.0318 1.1836 1.1836 1.2964 1.2964 1.4076 1.4076 1.4449 1.4449 1.5971 1.5971 1.7339 1.7339 1.8573 1.8573 2.2992 2.2992 2.4024 2.4024 2.4588 2.4588 4.1486 4.1486 4.7703 4.7703 4.7967 4.7967 4.8602 4.8602 4.9726 4.9726 5.4273 5.4273 5.5598 5.5598 5.5942 5.5942 5.8052 5.8052 6.0862 6.0862 9.7480 9.7480 9.8488 9.8488 9.9542 9.9542 10.0383 10.0383 k = 0.4778 0.3272-0.0000 ( 22404 PWs) bands (ev): -14.8867 -14.8867 -14.8757 -14.8757 -10.7643 -10.7643 -10.3264 -10.3264 -10.2666 -10.2666 -10.2169 -10.2169 -10.1576 -10.1576 -10.0839 -10.0839 -3.6882 -3.6882 -3.6497 -3.6497 -2.3484 -2.3484 -2.2588 -2.2588 -2.2168 -2.2168 -2.1956 -2.1956 -0.4471 -0.4471 -0.2413 -0.2413 0.4311 0.4311 0.5215 0.5215 0.8456 0.8456 0.8935 0.8935 0.9625 0.9625 1.0357 1.0357 1.1811 1.1811 1.3004 1.3004 1.4083 1.4083 1.4448 1.4448 1.5905 1.5905 1.7424 1.7424 1.8548 1.8548 2.2949 2.2949 2.4006 2.4006 2.4579 2.4579 4.1491 4.1491 4.7703 4.7703 4.7967 4.7967 4.8611 4.8611 4.9722 4.9722 5.4273 5.4273 5.5599 5.5599 5.5943 5.5943 5.8073 5.8073 6.0828 6.0828 9.7261 9.7261 9.8561 9.8561 9.9651 9.9651 10.0703 10.0703 k = 0.4667 0.3464-0.0000 ( 22392 PWs) bands (ev): -14.8865 -14.8865 -14.8758 -14.8758 -10.7642 -10.7642 -10.3259 -10.3259 -10.2685 -10.2685 -10.2169 -10.2169 -10.1557 -10.1557 -10.0848 -10.0848 -3.6874 -3.6874 -3.6498 -3.6498 -2.3466 -2.3466 -2.2589 -2.2589 -2.2161 -2.2161 -2.1957 -2.1957 -0.4436 -0.4436 -0.2428 -0.2428 0.4352 0.4352 0.5210 0.5210 0.8479 0.8479 0.8743 0.8743 0.9657 0.9657 1.0415 1.0415 1.1773 1.1773 1.3067 1.3067 1.4094 1.4094 1.4447 1.4447 1.5809 1.5809 1.7550 1.7550 1.8509 1.8509 2.2876 2.2876 2.3981 2.3981 2.4565 2.4565 4.1499 4.1499 4.7704 4.7704 4.7967 4.7967 4.8624 4.8624 4.9714 4.9714 5.4273 5.4273 5.5601 5.5601 5.5944 5.5944 5.8108 5.8108 6.0774 6.0774 9.6971 9.6971 9.8682 9.8682 9.9832 9.9832 10.1159 10.1159 k = 0.4556 0.3657-0.0000 ( 22388 PWs) bands (ev): -14.8863 -14.8863 -14.8760 -14.8760 -10.7639 -10.7639 -10.3251 -10.3251 -10.2711 -10.2711 -10.2169 -10.2169 -10.1533 -10.1533 -10.0860 -10.0860 -3.6863 -3.6863 -3.6499 -3.6499 -2.3441 -2.3441 -2.2591 -2.2591 -2.2151 -2.2151 -2.1957 -2.1957 -0.4388 -0.4388 -0.2447 -0.2447 0.4409 0.4409 0.5203 0.5203 0.8511 0.8511 0.8526 0.8526 0.9667 0.9667 1.0481 1.0481 1.1726 1.1726 1.3148 1.3148 1.4110 1.4110 1.4445 1.4445 1.5696 1.5696 1.7704 1.7704 1.8456 1.8456 2.2770 2.2770 2.3951 2.3951 2.4545 2.4545 4.1509 4.1509 4.7704 4.7704 4.7968 4.7968 4.8642 4.8642 4.9704 4.9704 5.4273 5.4273 5.5603 5.5603 5.5945 5.5945 5.8157 5.8157 6.0700 6.0700 9.6659 9.6659 9.8850 9.8850 10.0079 10.0079 10.1703 10.1703 k = 0.4444 0.3849-0.0000 ( 22396 PWs) bands (ev): -14.8861 -14.8861 -14.8762 -14.8762 -10.7636 -10.7636 -10.3241 -10.3241 -10.2742 -10.2742 -10.2169 -10.2169 -10.1504 -10.1504 -10.0876 -10.0876 -3.6850 -3.6850 -3.6501 -3.6501 -2.3411 -2.3411 -2.2595 -2.2595 -2.2140 -2.2140 -2.1957 -2.1957 -0.4329 -0.4329 -0.2471 -0.2471 0.4480 0.4480 0.5198 0.5198 0.8290 0.8290 0.8552 0.8552 0.9657 0.9657 1.0547 1.0547 1.1673 1.1673 1.3242 1.3242 1.4128 1.4128 1.4442 1.4442 1.5576 1.5576 1.7879 1.7879 1.8393 1.8393 2.2630 2.2630 2.3921 2.3921 2.4521 2.4521 4.1521 4.1521 4.7705 4.7705 4.7969 4.7969 4.8664 4.8664 4.9692 4.9692 5.4273 5.4273 5.5606 5.5606 5.5947 5.5947 5.8219 5.8219 6.0608 6.0608 9.6349 9.6349 9.9063 9.9063 10.0389 10.0389 10.2308 10.2308 k = 0.4333 0.4041-0.0000 ( 22392 PWs) bands (ev): -14.8857 -14.8857 -14.8765 -14.8765 -10.7633 -10.7633 -10.3230 -10.3230 -10.2776 -10.2776 -10.2169 -10.2169 -10.1471 -10.1471 -10.0895 -10.0895 -3.6834 -3.6834 -3.6504 -3.6504 -2.3374 -2.3374 -2.2601 -2.2601 -2.2128 -2.2128 -2.1955 -2.1955 -0.4262 -0.4262 -0.2497 -0.2497 0.4564 0.4564 0.5196 0.5196 0.8043 0.8043 0.8599 0.8599 0.9633 0.9633 1.0607 1.0607 1.1615 1.1615 1.3346 1.3346 1.4150 1.4150 1.4439 1.4439 1.5454 1.5454 1.8064 1.8064 1.8326 1.8326 2.2459 2.2459 2.3893 2.3893 2.4493 2.4493 4.1535 4.1535 4.7706 4.7706 4.7970 4.7970 4.8689 4.8689 4.9678 4.9678 5.4273 5.4273 5.5609 5.5609 5.5949 5.5949 5.8291 5.8291 6.0500 6.0500 9.6055 9.6055 9.9318 9.9318 10.0756 10.0756 10.2959 10.2959 k = 0.4222 0.4234-0.0000 ( 22382 PWs) bands (ev): -14.8854 -14.8854 -14.8768 -14.8768 -10.7629 -10.7629 -10.3217 -10.3217 -10.2813 -10.2813 -10.2169 -10.2169 -10.1437 -10.1437 -10.0917 -10.0917 -3.6816 -3.6816 -3.6509 -3.6509 -2.3332 -2.3332 -2.2610 -2.2610 -2.2116 -2.2116 -2.1951 -2.1951 -0.4187 -0.4187 -0.2526 -0.2526 0.4659 0.4659 0.5198 0.5198 0.7787 0.7787 0.8653 0.8653 0.9598 0.9598 1.0656 1.0656 1.1556 1.1556 1.3457 1.3457 1.4173 1.4173 1.4435 1.4435 1.5333 1.5333 1.8199 1.8199 1.8315 1.8315 2.2257 2.2257 2.3869 2.3869 2.4463 2.4463 4.1550 4.1550 4.7706 4.7706 4.7971 4.7971 4.8717 4.8717 4.9663 4.9663 5.4272 5.4272 5.5613 5.5613 5.5951 5.5951 5.8375 5.8375 6.0379 6.0379 9.5785 9.5785 9.9611 9.9611 10.1172 10.1172 10.3646 10.3646 k = 0.4111 0.4426-0.0000 ( 22378 PWs) bands (ev): -14.8849 -14.8849 -14.8771 -14.8771 -10.7625 -10.7625 -10.3202 -10.3202 -10.2851 -10.2851 -10.2168 -10.2168 -10.1400 -10.1400 -10.0941 -10.0941 -3.6795 -3.6795 -3.6514 -3.6514 -2.3285 -2.3285 -2.2622 -2.2622 -2.2105 -2.2105 -2.1945 -2.1945 -0.4108 -0.4108 -0.2556 -0.2556 0.4763 0.4763 0.5210 0.5210 0.7526 0.7526 0.8711 0.8711 0.9555 0.9555 1.0694 1.0694 1.1494 1.1494 1.3572 1.3572 1.4198 1.4198 1.4431 1.4431 1.5214 1.5214 1.8147 1.8147 1.8499 1.8499 2.2030 2.2030 2.3849 2.3849 2.4431 2.4431 4.1565 4.1565 4.7707 4.7707 4.7973 4.7973 4.8745 4.8745 4.9648 4.9648 5.4272 5.4272 5.5617 5.5617 5.5954 5.5954 5.8468 5.8468 6.0247 6.0247 9.5543 9.5543 9.9938 9.9938 10.1628 10.1628 10.4362 10.4362 k = 0.4000 0.4619-0.0000 ( 22384 PWs) bands (ev): -14.8845 -14.8845 -14.8775 -14.8775 -10.7621 -10.7621 -10.3186 -10.3186 -10.2888 -10.2888 -10.2167 -10.2167 -10.1363 -10.1363 -10.0968 -10.0968 -3.6773 -3.6773 -3.6522 -3.6522 -2.3235 -2.3235 -2.2638 -2.2638 -2.2095 -2.2095 -2.1937 -2.1937 -0.4029 -0.4029 -0.2586 -0.2586 0.4873 0.4873 0.5233 0.5233 0.7262 0.7262 0.8773 0.8773 0.9506 0.9506 1.0723 1.0723 1.1431 1.1431 1.3689 1.3689 1.4224 1.4224 1.4425 1.4425 1.5100 1.5100 1.8072 1.8072 1.8714 1.8714 2.1784 2.1784 2.3833 2.3833 2.4399 2.4399 4.1579 4.1579 4.7708 4.7708 4.7974 4.7974 4.8772 4.8772 4.9632 4.9632 5.4272 5.4272 5.5620 5.5620 5.5956 5.5956 5.8568 5.8568 6.0109 6.0109 9.5331 9.5331 10.0295 10.0295 10.2114 10.2114 10.5100 10.5100 k = 0.3889 0.4811-0.0000 ( 22386 PWs) bands (ev): -14.8840 -14.8840 -14.8780 -14.8780 -10.7617 -10.7617 -10.3168 -10.3168 -10.2925 -10.2925 -10.2166 -10.2166 -10.1326 -10.1326 -10.0997 -10.0997 -3.6749 -3.6749 -3.6532 -3.6532 -2.3182 -2.3182 -2.2659 -2.2659 -2.2086 -2.2086 -2.1927 -2.1927 -0.3952 -0.3952 -0.2615 -0.2615 0.4984 0.4984 0.5273 0.5273 0.6997 0.6997 0.8837 0.8837 0.9452 0.9452 1.0744 1.0744 1.1368 1.1368 1.3806 1.3806 1.4250 1.4250 1.4418 1.4418 1.4988 1.4988 1.8000 1.8000 1.8937 1.8937 2.1523 2.1523 2.3821 2.3821 2.4369 2.4369 4.1592 4.1592 4.7708 4.7708 4.7975 4.7975 4.8798 4.8798 4.9618 4.9618 5.4271 5.4271 5.5624 5.5624 5.5959 5.5959 5.8676 5.8676 5.9966 5.9966 9.5151 9.5151 10.0673 10.0673 10.2619 10.2619 10.5852 10.5852 k = 0.3778 0.5004-0.0000 ( 22382 PWs) bands (ev): -14.8834 -14.8834 -14.8785 -14.8785 -10.7614 -10.7614 -10.3150 -10.3150 -10.2960 -10.2960 -10.2165 -10.2165 -10.1290 -10.1290 -10.1028 -10.1028 -3.6724 -3.6724 -3.6543 -3.6543 -2.3127 -2.3127 -2.2685 -2.2685 -2.2078 -2.2078 -2.1917 -2.1917 -0.3881 -0.3881 -0.2640 -0.2640 0.5091 0.5091 0.5334 0.5334 0.6733 0.6733 0.8903 0.8903 0.9396 0.9396 1.0763 1.0763 1.1303 1.1303 1.3921 1.3921 1.4274 1.4274 1.4410 1.4410 1.4881 1.4881 1.7936 1.7936 1.9164 1.9164 2.1254 2.1254 2.3812 2.3812 2.4341 2.4341 4.1604 4.1604 4.7709 4.7709 4.7976 4.7976 4.8821 4.8821 4.9606 4.9606 5.4271 5.4271 5.5627 5.5627 5.5961 5.5961 5.8788 5.8788 5.9821 5.9821 9.5004 9.5004 10.1063 10.1063 10.3129 10.3129 10.6602 10.6603 k = 0.3667 0.5196-0.0000 ( 22402 PWs) bands (ev): -14.8828 -14.8828 -14.8790 -14.8790 -10.7611 -10.7611 -10.3131 -10.3131 -10.2993 -10.2993 -10.2164 -10.2164 -10.1254 -10.1254 -10.1059 -10.1059 -3.6699 -3.6699 -3.6558 -3.6558 -2.3073 -2.3073 -2.2715 -2.2715 -2.2071 -2.2071 -2.1908 -2.1908 -0.3820 -0.3820 -0.2662 -0.2662 0.5191 0.5191 0.5417 0.5417 0.6475 0.6475 0.8968 0.8968 0.9338 0.9338 1.0782 1.0782 1.1239 1.1239 1.4032 1.4032 1.4298 1.4298 1.4401 1.4401 1.4777 1.4777 1.7883 1.7883 1.9393 1.9393 2.0986 2.0986 2.3805 2.3805 2.4317 2.4317 4.1613 4.1613 4.7709 4.7709 4.7976 4.7976 4.8840 4.8840 4.9595 4.9595 5.4271 5.4271 5.5630 5.5630 5.5963 5.5963 5.8904 5.8904 5.9678 5.9678 9.4890 9.4890 10.1451 10.1451 10.3631 10.3631 10.6351 10.6351 k = 0.3556 0.5389-0.0000 ( 22402 PWs) bands (ev): -14.8822 -14.8822 -14.8796 -14.8796 -10.7609 -10.7609 -10.3111 -10.3111 -10.3022 -10.3022 -10.2162 -10.2162 -10.1219 -10.1219 -10.1092 -10.1092 -3.6673 -3.6673 -3.6575 -3.6575 -2.3021 -2.3021 -2.2748 -2.2748 -2.2064 -2.2064 -2.1901 -2.1901 -0.3773 -0.3773 -0.2679 -0.2679 0.5287 0.5287 0.5515 0.5515 0.6226 0.6226 0.9033 0.9033 0.9279 0.9279 1.0803 1.0803 1.1179 1.1179 1.4135 1.4135 1.4319 1.4319 1.4391 1.4391 1.4678 1.4678 1.7843 1.7843 1.9616 1.9616 2.0729 2.0729 2.3800 2.3800 2.4298 2.4298 4.1620 4.1620 4.7710 4.7710 4.7977 4.7977 4.8854 4.8854 4.9588 4.9588 5.4270 5.4270 5.5632 5.5632 5.5965 5.5965 5.9020 5.9020 5.9540 5.9540 9.4809 9.4809 10.1813 10.1813 10.4109 10.4109 10.5893 10.5893 k = 0.3444 0.5581-0.0000 ( 22400 PWs) bands (ev): -14.8816 -14.8816 -14.8802 -14.8802 -10.7607 -10.7607 -10.3092 -10.3092 -10.3048 -10.3048 -10.2161 -10.2161 -10.1186 -10.1186 -10.1124 -10.1124 -3.6647 -3.6647 -3.6596 -3.6596 -2.2979 -2.2979 -2.2779 -2.2779 -2.2059 -2.2059 -2.1897 -2.1897 -0.3742 -0.3742 -0.2690 -0.2690 0.5380 0.5380 0.5610 0.5610 0.6006 0.6006 0.9095 0.9095 0.9221 0.9221 1.0826 1.0826 1.1128 1.1128 1.4222 1.4222 1.4336 1.4336 1.4382 1.4382 1.4595 1.4595 1.7819 1.7819 1.9815 1.9815 2.0506 2.0506 2.3797 2.3797 2.4286 2.4286 4.1625 4.1625 4.7710 4.7710 4.7977 4.7977 4.8863 4.8863 4.9584 4.9584 5.4270 5.4270 5.5634 5.5634 5.5966 5.5966 5.9134 5.9134 5.9413 5.9413 9.4761 9.4761 10.2104 10.2104 10.4547 10.4547 10.5385 10.5385 k = 0.3333 0.5774-0.0000 ( 22404 PWs) bands (ev): -14.8809 -14.8809 -14.8809 -14.8809 -10.7607 -10.7607 -10.3075 -10.3075 -10.3067 -10.3067 -10.2161 -10.2161 -10.1156 -10.1156 -10.1154 -10.1154 -3.6625 -3.6625 -3.6616 -3.6616 -2.2960 -2.2960 -2.2793 -2.2793 -2.2057 -2.2057 -2.1896 -2.1896 -0.3731 -0.3731 -0.2694 -0.2694 0.5439 0.5439 0.5648 0.5648 0.5899 0.5899 0.9138 0.9138 0.9179 0.9179 1.0838 1.0838 1.1106 1.1106 1.4261 1.4261 1.4343 1.4343 1.4377 1.4377 1.4557 1.4557 1.7811 1.7811 1.9916 1.9916 2.0397 2.0397 2.3797 2.3797 2.4282 2.4282 4.1626 4.1626 4.7710 4.7710 4.7977 4.7977 4.8866 4.8866 4.9583 4.9583 5.4270 5.4270 5.5634 5.5634 5.5966 5.5966 5.9206 5.9206 5.9336 5.9336 9.4745 9.4745 10.2231 10.2231 10.4874 10.4874 10.5002 10.5002 k = 0.3333 0.5774-0.0000 ( 22404 PWs) bands (ev): -14.8809 -14.8809 -14.8809 -14.8809 -10.7607 -10.7607 -10.3075 -10.3075 -10.3067 -10.3067 -10.2161 -10.2161 -10.1156 -10.1156 -10.1154 -10.1154 -3.6625 -3.6625 -3.6616 -3.6616 -2.2960 -2.2960 -2.2793 -2.2793 -2.2057 -2.2057 -2.1896 -2.1896 -0.3731 -0.3731 -0.2694 -0.2694 0.5439 0.5439 0.5648 0.5648 0.5899 0.5899 0.9138 0.9138 0.9179 0.9179 1.0838 1.0838 1.1106 1.1106 1.4261 1.4261 1.4343 1.4343 1.4377 1.4377 1.4557 1.4557 1.7811 1.7811 1.9916 1.9916 2.0397 2.0397 2.3797 2.3797 2.4282 2.4282 4.1626 4.1626 4.7710 4.7710 4.7977 4.7977 4.8866 4.8866 4.9583 4.9583 5.4270 5.4270 5.5634 5.5634 5.5966 5.5966 5.9206 5.9206 5.9336 5.9336 9.4745 9.4745 10.2231 10.2231 10.4874 10.4874 10.5002 10.5002 k = 0.3218 0.5574-0.0000 ( 22396 PWs) bands (ev): -14.8816 -14.8816 -14.8802 -14.8802 -10.7607 -10.7607 -10.3090 -10.3090 -10.3050 -10.3050 -10.2161 -10.2161 -10.1186 -10.1186 -10.1124 -10.1124 -3.6649 -3.6649 -3.6594 -3.6594 -2.2981 -2.2981 -2.2777 -2.2777 -2.2060 -2.2060 -2.1897 -2.1897 -0.3744 -0.3744 -0.2689 -0.2689 0.5329 0.5329 0.5694 0.5694 0.5973 0.5973 0.9095 0.9095 0.9220 0.9220 1.0820 1.0820 1.1137 1.1137 1.4218 1.4218 1.4336 1.4336 1.4382 1.4382 1.4598 1.4598 1.7820 1.7820 1.9818 1.9818 2.0506 2.0506 2.3798 2.3798 2.4287 2.4287 4.1625 4.1625 4.7710 4.7710 4.7977 4.7977 4.8863 4.8863 4.9584 4.9584 5.4270 5.4270 5.5634 5.5634 5.5966 5.5966 5.9136 5.9136 5.9412 5.9412 9.4761 9.4761 10.2051 10.2051 10.4708 10.4708 10.5273 10.5273 k = 0.3103 0.5375-0.0000 ( 22410 PWs) bands (ev): -14.8824 -14.8824 -14.8794 -14.8794 -10.7609 -10.7609 -10.3104 -10.3104 -10.3029 -10.3029 -10.2164 -10.2164 -10.1214 -10.1214 -10.1095 -10.1095 -3.6682 -3.6682 -3.6569 -3.6569 -2.3032 -2.3032 -2.2740 -2.2740 -2.2073 -2.2073 -2.1897 -2.1897 -0.3782 -0.3782 -0.2676 -0.2676 0.5114 0.5114 0.5806 0.5806 0.6110 0.6110 0.9039 0.9039 0.9272 0.9272 1.0773 1.0773 1.1224 1.1224 1.4125 1.4125 1.4321 1.4321 1.4390 1.4390 1.4688 1.4688 1.7845 1.7845 1.9644 1.9644 2.0715 2.0715 2.3800 2.3800 2.4302 2.4302 4.1620 4.1620 4.7710 4.7710 4.7977 4.7977 4.8855 4.8855 4.9587 4.9587 5.4270 5.4270 5.5632 5.5632 5.5964 5.5964 5.9037 5.9037 5.9528 5.9528 9.4811 9.4811 10.1525 10.1525 10.4764 10.4764 10.5512 10.5512 k = 0.2989 0.5176-0.0000 ( 22406 PWs) bands (ev): -14.8832 -14.8832 -14.8787 -14.8787 -10.7612 -10.7612 -10.3113 -10.3113 -10.3008 -10.3008 -10.2169 -10.2169 -10.1238 -10.1238 -10.1069 -10.1069 -3.6718 -3.6718 -3.6544 -3.6544 -2.3097 -2.3097 -2.2700 -2.2700 -2.2099 -2.2099 -2.1895 -2.1895 -0.3846 -0.3846 -0.2653 -0.2653 0.4882 0.4882 0.5926 0.5926 0.6275 0.6275 0.8984 0.8984 0.9318 0.9318 1.0713 1.0713 1.1354 1.1354 1.4013 1.4013 1.4302 1.4302 1.4396 1.4396 1.4798 1.4798 1.7887 1.7887 1.9477 1.9477 2.0945 2.0945 2.3804 2.3804 2.4329 2.4329 4.1611 4.1611 4.7709 4.7709 4.7976 4.7976 4.8842 4.8842 4.9590 4.9590 5.4271 5.4271 5.5628 5.5628 5.5961 5.5961 5.8948 5.8948 5.9645 5.9645 9.4892 9.4892 10.0781 10.0781 10.4972 10.4972 10.5656 10.5656 k = 0.2874 0.4977-0.0000 ( 22398 PWs) bands (ev): -14.8840 -14.8840 -14.8780 -14.8780 -10.7617 -10.7617 -10.3117 -10.3117 -10.2988 -10.2988 -10.2176 -10.2176 -10.1258 -10.1258 -10.1044 -10.1044 -3.6758 -3.6758 -3.6522 -3.6522 -2.3170 -2.3170 -2.2661 -2.2661 -2.2139 -2.2139 -2.1891 -2.1891 -0.3937 -0.3937 -0.2619 -0.2619 0.4649 0.4649 0.6043 0.6043 0.6465 0.6465 0.8933 0.8933 0.9357 0.9357 1.0650 1.0650 1.1519 1.1519 1.3894 1.3894 1.4281 1.4281 1.4398 1.4398 1.4918 1.4918 1.7944 1.7944 1.9337 1.9337 2.1179 2.1179 2.3811 2.3811 2.4367 2.4367 4.1599 4.1599 4.7709 4.7709 4.7975 4.7975 4.8825 4.8825 4.9593 4.9593 5.4271 5.4271 5.5623 5.5623 5.5957 5.5957 5.8874 5.8874 5.9760 5.9760 9.5003 9.5003 9.9928 9.9928 10.5225 10.5225 10.5701 10.5701 k = 0.2759 0.4778-0.0000 ( 22392 PWs) bands (ev): -14.8849 -14.8849 -14.8772 -14.8772 -10.7622 -10.7622 -10.3117 -10.3117 -10.2968 -10.2968 -10.2187 -10.2187 -10.1273 -10.1273 -10.1021 -10.1021 -3.6803 -3.6803 -3.6501 -3.6501 -2.3250 -2.3250 -2.2630 -2.2630 -2.2189 -2.2189 -2.1885 -2.1885 -0.4053 -0.4053 -0.2576 -0.2576 0.4418 0.4418 0.6155 0.6155 0.6675 0.6675 0.8885 0.8885 0.9389 0.9389 1.0589 1.0589 1.1714 1.1714 1.3772 1.3772 1.4258 1.4258 1.4396 1.4396 1.5047 1.5047 1.8013 1.8013 1.9233 1.9233 2.1411 2.1411 2.3819 2.3819 2.4416 2.4416 4.1584 4.1584 4.7708 4.7708 4.7973 4.7973 4.8806 4.8806 4.9594 4.9594 5.4272 5.4272 5.5617 5.5617 5.5952 5.5952 5.8817 5.8817 5.9870 5.9870 9.5143 9.5143 9.9019 9.9019 10.5462 10.5462 10.5647 10.5647 k = 0.2644 0.4579-0.0000 ( 22366 PWs) bands (ev): -14.8858 -14.8858 -14.8765 -14.8765 -10.7630 -10.7630 -10.3111 -10.3111 -10.2949 -10.2949 -10.2203 -10.2203 -10.1283 -10.1283 -10.1000 -10.1000 -3.6851 -3.6851 -3.6482 -3.6482 -2.3335 -2.3335 -2.2611 -2.2611 -2.2245 -2.2245 -2.1880 -2.1880 -0.4194 -0.4194 -0.2522 -0.2522 0.4190 0.4190 0.6265 0.6265 0.6901 0.6901 0.8841 0.8841 0.9412 0.9412 1.0531 1.0531 1.1934 1.1934 1.3651 1.3651 1.4233 1.4233 1.4389 1.4389 1.5186 1.5186 1.8094 1.8094 1.9169 1.9169 2.1638 2.1638 2.3830 2.3830 2.4478 2.4478 4.1565 4.1565 4.7707 4.7707 4.7971 4.7971 4.8785 4.8785 4.9592 4.9592 5.4273 5.4273 5.5609 5.5609 5.5945 5.5945 5.8778 5.8778 5.9976 5.9976 9.5310 9.5310 9.8081 9.8081 10.5484 10.5484 10.5668 10.5668 k = 0.2529 0.4380-0.0000 ( 22355 PWs) bands (ev): -14.8867 -14.8867 -14.8757 -14.8757 -10.7638 -10.7638 -10.3101 -10.3101 -10.2930 -10.2930 -10.2222 -10.2222 -10.1286 -10.1286 -10.0981 -10.0981 -3.6903 -3.6903 -3.6466 -3.6466 -2.3423 -2.3423 -2.2614 -2.2614 -2.2297 -2.2297 -2.1877 -2.1877 -0.4358 -0.4358 -0.2458 -0.2458 0.3966 0.3966 0.6376 0.6376 0.7137 0.7137 0.8803 0.8803 0.9427 0.9427 1.0480 1.0480 1.2174 1.2174 1.3533 1.3533 1.4207 1.4207 1.4377 1.4377 1.5335 1.5335 1.8184 1.8184 1.9148 1.9148 2.1858 2.1858 2.3843 2.3843 2.4552 2.4552 4.1543 4.1543 4.7706 4.7706 4.7969 4.7969 4.8763 4.8763 4.9588 4.9588 5.4274 5.4274 5.5598 5.5598 5.5936 5.5936 5.8758 5.8758 6.0077 6.0077 9.5501 9.5501 9.7129 9.7129 10.5251 10.5251 10.5793 10.5793 k = 0.2414 0.4181-0.0000 ( 22351 PWs) bands (ev): -14.8876 -14.8876 -14.8750 -14.8750 -10.7647 -10.7647 -10.3086 -10.3086 -10.2912 -10.2912 -10.2245 -10.2245 -10.1283 -10.1283 -10.0964 -10.0964 -3.6958 -3.6958 -3.6451 -3.6451 -2.3514 -2.3514 -2.2652 -2.2652 -2.2329 -2.2329 -2.1878 -2.1878 -0.4541 -0.4541 -0.2383 -0.2383 0.3745 0.3745 0.6491 0.6491 0.7378 0.7378 0.8770 0.8770 0.9434 0.9434 1.0435 1.0435 1.2424 1.2424 1.3426 1.3426 1.4178 1.4178 1.4361 1.4361 1.5494 1.5494 1.8284 1.8284 1.9172 1.9172 2.2069 2.2069 2.3860 2.3860 2.4637 2.4637 4.1518 4.1518 4.7704 4.7704 4.7966 4.7966 4.8740 4.8740 4.9579 4.9579 5.4276 5.4276 5.5587 5.5587 5.5926 5.5926 5.8757 5.8757 6.0172 6.0172 9.5714 9.5714 9.6171 9.6171 10.4942 10.4942 10.5533 10.5533 k = 0.2299 0.3982-0.0000 ( 22361 PWs) bands (ev): -14.8885 -14.8885 -14.8743 -14.8743 -10.7658 -10.7658 -10.3067 -10.3067 -10.2894 -10.2894 -10.2272 -10.2272 -10.1275 -10.1275 -10.0949 -10.0949 -3.7016 -3.7016 -3.6439 -3.6439 -2.3607 -2.3607 -2.2729 -2.2729 -2.2338 -2.2338 -2.1882 -2.1882 -0.4742 -0.4742 -0.2300 -0.2300 0.3527 0.3527 0.6612 0.6612 0.7619 0.7619 0.8743 0.8743 0.9433 0.9433 1.0397 1.0397 1.2664 1.2664 1.3346 1.3346 1.4149 1.4149 1.4340 1.4340 1.5661 1.5661 1.8392 1.8392 1.9240 1.9240 2.2271 2.2271 2.3880 2.3880 2.4733 2.4733 4.1490 4.1490 4.7703 4.7703 4.7963 4.7963 4.8717 4.8717 4.9566 4.9566 5.4277 5.4277 5.5573 5.5573 5.5914 5.5914 5.8776 5.8776 6.0260 6.0260 9.5210 9.5210 9.5952 9.5952 10.4574 10.4574 10.5061 10.5061 k = 0.2184 0.3783-0.0000 ( 22377 PWs) bands (ev): -14.8895 -14.8895 -14.8736 -14.8736 -10.7669 -10.7669 -10.3045 -10.3045 -10.2877 -10.2877 -10.2301 -10.2301 -10.1262 -10.1262 -10.0936 -10.0936 -3.7077 -3.7077 -3.6430 -3.6430 -2.3702 -2.3702 -2.2835 -2.2835 -2.2331 -2.2331 -2.1891 -2.1891 -0.4957 -0.4957 -0.2207 -0.2207 0.3313 0.3313 0.6742 0.6742 0.7854 0.7854 0.8722 0.8722 0.9426 0.9426 1.0369 1.0369 1.2833 1.2833 1.3353 1.3353 1.4117 1.4117 1.4314 1.4314 1.5835 1.5835 1.8510 1.8510 1.9353 1.9353 2.2461 2.2461 2.3906 2.3906 2.4838 2.4838 4.1459 4.1459 4.7701 4.7701 4.7960 4.7960 4.8694 4.8694 4.9548 4.9548 5.4279 5.4279 5.5558 5.5558 5.5901 5.5901 5.8813 5.8813 6.0342 6.0342 9.4259 9.4259 9.6204 9.6204 10.4162 10.4162 10.4595 10.4595 k = 0.2069 0.3584-0.0000 ( 22389 PWs) bands (ev): -14.8904 -14.8904 -14.8729 -14.8729 -10.7682 -10.7682 -10.3019 -10.3019 -10.2862 -10.2862 -10.2333 -10.2333 -10.1244 -10.1244 -10.0924 -10.0924 -3.7140 -3.7140 -3.6423 -3.6423 -2.3797 -2.3797 -2.2960 -2.2960 -2.2317 -2.2317 -2.1904 -2.1904 -0.5183 -0.5183 -0.2107 -0.2107 0.3102 0.3102 0.6880 0.6880 0.8076 0.8076 0.8708 0.8708 0.9415 0.9415 1.0351 1.0351 1.2856 1.2856 1.3519 1.3519 1.4085 1.4085 1.4285 1.4285 1.6012 1.6012 1.8638 1.8638 1.9507 1.9507 2.2639 2.2639 2.3937 2.3937 2.4953 2.4953 4.1425 4.1425 4.7699 4.7699 4.7956 4.7956 4.8671 4.8671 4.9526 4.9526 5.4281 5.4281 5.5541 5.5541 5.5887 5.5887 5.8869 5.8869 6.0418 6.0418 9.3317 9.3317 9.6471 9.6471 10.3715 10.3715 10.4141 10.4141 k = 0.1954 0.3384-0.0000 ( 22391 PWs) bands (ev): -14.8914 -14.8914 -14.8723 -14.8723 -10.7695 -10.7695 -10.2990 -10.2990 -10.2847 -10.2847 -10.2365 -10.2365 -10.1223 -10.1223 -10.0914 -10.0914 -3.7204 -3.7204 -3.6418 -3.6418 -2.3892 -2.3892 -2.3098 -2.3098 -2.2301 -2.2301 -2.1923 -2.1923 -0.5418 -0.5418 -0.1999 -0.1999 0.2895 0.2895 0.7027 0.7027 0.8280 0.8280 0.8703 0.8703 0.9400 0.9400 1.0346 1.0346 1.2792 1.2792 1.3780 1.3780 1.4052 1.4052 1.4252 1.4252 1.6188 1.6188 1.8776 1.8776 1.9702 1.9702 2.2804 2.2804 2.3974 2.3974 2.5075 2.5075 4.1389 4.1389 4.7697 4.7697 4.7952 4.7952 4.8650 4.8650 4.9498 4.9498 5.4283 5.4283 5.5522 5.5522 5.5871 5.5871 5.8944 5.8944 6.0486 6.0486 9.2390 9.2390 9.6751 9.6751 10.3243 10.3243 10.3700 10.3700 k = 0.1839 0.3185-0.0000 ( 22395 PWs) bands (ev): -14.8923 -14.8923 -14.8716 -14.8716 -10.7708 -10.7708 -10.2958 -10.2958 -10.2834 -10.2834 -10.2398 -10.2398 -10.1199 -10.1199 -10.0905 -10.0905 -3.7270 -3.7270 -3.6415 -3.6415 -2.3987 -2.3987 -2.3244 -2.3244 -2.2284 -2.2284 -2.1946 -2.1946 -0.5657 -0.5657 -0.1886 -0.1886 0.2693 0.2693 0.7181 0.7181 0.8453 0.8453 0.8713 0.8713 0.9384 0.9384 1.0357 1.0357 1.2704 1.2704 1.4015 1.4015 1.4070 1.4070 1.4221 1.4221 1.6359 1.6359 1.8924 1.8924 1.9934 1.9934 2.2954 2.2954 2.4019 2.4019 2.5203 2.5203 4.1350 4.1350 4.7695 4.7695 4.7947 4.7947 4.8629 4.8629 4.9467 4.9467 5.4285 5.4285 5.5503 5.5503 5.5853 5.5853 5.9034 5.9034 6.0548 6.0548 9.1482 9.1482 9.7041 9.7041 10.2746 10.2746 10.3274 10.3274 k = 0.1724 0.2986-0.0000 ( 22409 PWs) bands (ev): -14.8932 -14.8932 -14.8710 -14.8710 -10.7721 -10.7721 -10.2924 -10.2924 -10.2823 -10.2823 -10.2430 -10.2430 -10.1173 -10.1173 -10.0898 -10.0898 -3.7337 -3.7337 -3.6414 -3.6414 -2.4080 -2.4080 -2.3394 -2.3394 -2.2268 -2.2268 -2.1972 -2.1972 -0.5899 -0.5899 -0.1767 -0.1767 0.2496 0.2496 0.7340 0.7340 0.8572 0.8572 0.8753 0.8753 0.9369 0.9369 1.0389 1.0389 1.2611 1.2611 1.3983 1.3983 1.4166 1.4166 1.4385 1.4385 1.6522 1.6522 1.9078 1.9078 2.0200 2.0200 2.3091 2.3091 2.4072 2.4072 2.5337 2.5337 4.1310 4.1310 4.7693 4.7693 4.7943 4.7943 4.8610 4.8610 4.9431 4.9431 5.4287 5.4287 5.5482 5.5482 5.5835 5.5835 5.9141 5.9141 6.0603 6.0603 9.0597 9.0597 9.7337 9.7337 10.2222 10.2222 10.2865 10.2865 k = 0.1609 0.2787-0.0000 ( 22421 PWs) bands (ev): -14.8941 -14.8941 -14.8705 -14.8705 -10.7735 -10.7735 -10.2889 -10.2889 -10.2815 -10.2815 -10.2459 -10.2459 -10.1146 -10.1146 -10.0893 -10.0893 -3.7403 -3.7403 -3.6415 -3.6415 -2.4171 -2.4171 -2.3547 -2.3547 -2.2254 -2.2254 -2.2002 -2.2002 -0.6140 -0.6140 -0.1645 -0.1645 0.2305 0.2305 0.7503 0.7503 0.8626 0.8626 0.8830 0.8830 0.9356 0.9356 1.0445 1.0445 1.2521 1.2521 1.3949 1.3949 1.4127 1.4127 1.4684 1.4684 1.6674 1.6674 1.9238 1.9238 2.0494 2.0494 2.3214 2.3214 2.4133 2.4133 2.5474 2.5474 4.1267 4.1267 4.7690 4.7690 4.7938 4.7938 4.8591 4.8591 4.9392 4.9392 5.4288 5.4288 5.5460 5.5460 5.5817 5.5817 5.9261 5.9261 6.0652 6.0652 8.9740 8.9740 9.7637 9.7637 10.1667 10.1667 10.2467 10.2467 k = 0.1494 0.2588-0.0000 ( 22431 PWs) bands (ev): -14.8950 -14.8950 -14.8700 -14.8700 -10.7748 -10.7748 -10.2853 -10.2853 -10.2810 -10.2810 -10.2486 -10.2486 -10.1118 -10.1118 -10.0888 -10.0888 -3.7469 -3.7469 -3.6418 -3.6418 -2.4258 -2.4258 -2.3700 -2.3700 -2.2242 -2.2242 -2.2033 -2.2033 -0.6376 -0.6376 -0.1521 -0.1521 0.2122 0.2122 0.7667 0.7667 0.8650 0.8650 0.8905 0.8905 0.9344 0.9344 1.0529 1.0529 1.2434 1.2434 1.3915 1.3915 1.4084 1.4084 1.4979 1.4979 1.6815 1.6815 1.9402 1.9402 2.0809 2.0809 2.3327 2.3327 2.4200 2.4200 2.5612 2.5612 4.1223 4.1223 4.7688 4.7688 4.7933 4.7933 4.8573 4.8573 4.9349 4.9349 5.4290 5.4290 5.5438 5.5438 5.5797 5.5797 5.9393 5.9393 6.0694 6.0694 8.8913 8.8913 9.7936 9.7936 10.1077 10.1077 10.2068 10.2068 k = 0.1379 0.2389-0.0000 ( 22425 PWs) bands (ev): -14.8958 -14.8958 -14.8695 -14.8695 -10.7762 -10.7762 -10.2818 -10.2818 -10.2807 -10.2807 -10.2508 -10.2508 -10.1091 -10.1091 -10.0885 -10.0885 -3.7533 -3.7533 -3.6422 -3.6422 -2.4342 -2.4342 -2.3851 -2.3851 -2.2234 -2.2234 -2.2064 -2.2064 -0.6607 -0.6607 -0.1396 -0.1396 0.1947 0.1947 0.7829 0.7829 0.8667 0.8667 0.8959 0.8959 0.9331 0.9331 1.0637 1.0637 1.2353 1.2353 1.3882 1.3882 1.4038 1.4038 1.5265 1.5265 1.6945 1.6945 1.9566 1.9566 2.1136 2.1136 2.3433 2.3433 2.4273 2.4273 2.5751 2.5751 4.1177 4.1177 4.7685 4.7685 4.7928 4.7928 4.8556 4.8556 4.9305 4.9305 5.4292 5.4292 5.5416 5.5416 5.5778 5.5778 5.9535 5.9535 6.0730 6.0730 8.8123 8.8123 9.8232 9.8232 10.0461 10.0461 10.1660 10.1660 k = 0.1264 0.2190-0.0000 ( 22429 PWs) bands (ev): -14.8966 -14.8966 -14.8690 -14.8690 -10.7774 -10.7774 -10.2812 -10.2812 -10.2779 -10.2779 -10.2525 -10.2525 -10.1063 -10.1063 -10.0883 -10.0883 -3.7596 -3.7596 -3.6428 -3.6428 -2.4422 -2.4422 -2.3998 -2.3998 -2.2232 -2.2232 -2.2091 -2.2091 -0.6828 -0.6828 -0.1272 -0.1272 0.1781 0.1781 0.7987 0.7987 0.8684 0.8684 0.8993 0.8993 0.9315 0.9315 1.0765 1.0765 1.2279 1.2279 1.3850 1.3850 1.3992 1.3992 1.5537 1.5537 1.7066 1.7066 1.9730 1.9730 2.1462 2.1462 2.3538 2.3538 2.4350 2.4350 2.5887 2.5887 4.1131 4.1131 4.7682 4.7682 4.7923 4.7923 4.8539 4.8539 4.9260 4.9260 5.4294 5.4294 5.5393 5.5393 5.5759 5.5759 5.9683 5.9683 6.0760 6.0760 8.7374 8.7374 9.8519 9.8519 9.9837 9.9837 10.1260 10.1260 k = 0.1149 0.1991-0.0000 ( 22441 PWs) bands (ev): -14.8973 -14.8973 -14.8686 -14.8686 -10.7787 -10.7787 -10.2819 -10.2819 -10.2743 -10.2743 -10.2536 -10.2536 -10.1037 -10.1037 -10.0882 -10.0882 -3.7656 -3.7656 -3.6434 -3.6434 -2.4498 -2.4498 -2.4138 -2.4138 -2.2240 -2.2240 -2.2111 -2.2111 -0.7038 -0.7038 -0.1151 -0.1151 0.1626 0.1626 0.8137 0.8137 0.8701 0.8701 0.9014 0.9014 0.9293 0.9293 1.0905 1.0905 1.2211 1.2211 1.3820 1.3820 1.3946 1.3946 1.5791 1.5791 1.7177 1.7177 1.9890 1.9890 2.1774 2.1774 2.3647 2.3647 2.4427 2.4427 2.6020 2.6020 4.1085 4.1085 4.7679 4.7679 4.7918 4.7918 4.8523 4.8523 4.9215 4.9215 5.4295 5.4295 5.5371 5.5371 5.5740 5.5740 5.9835 5.9835 6.0786 6.0786 8.6669 8.6669 9.8792 9.8792 9.9224 9.9224 10.0887 10.0888 k = 0.1034 0.1792-0.0000 ( 22437 PWs) bands (ev): -14.8980 -14.8980 -14.8682 -14.8682 -10.7798 -10.7798 -10.2829 -10.2829 -10.2709 -10.2709 -10.2543 -10.2543 -10.1011 -10.1011 -10.0882 -10.0882 -3.7712 -3.7712 -3.6441 -3.6441 -2.4568 -2.4568 -2.4271 -2.4271 -2.2257 -2.2257 -2.2121 -2.2121 -0.7235 -0.7235 -0.1034 -0.1034 0.1482 0.1482 0.8277 0.8277 0.8718 0.8718 0.9028 0.9028 0.9267 0.9267 1.1051 1.1051 1.2151 1.2151 1.3791 1.3791 1.3901 1.3901 1.6023 1.6023 1.7282 1.7282 2.0045 2.0045 2.2060 2.2060 2.3768 2.3768 2.4505 2.4505 2.6147 2.6147 4.1040 4.1040 4.7677 4.7677 4.7913 4.7913 4.8507 4.8507 4.9171 4.9171 5.4297 5.4297 5.5350 5.5350 5.5721 5.5721 5.9987 5.9987 6.0806 6.0806 8.6014 8.6014 9.8621 9.8621 9.9061 9.9061 10.0551 10.0551 k = 0.0920 0.1593-0.0000 ( 22433 PWs) bands (ev): -14.8987 -14.8987 -14.8679 -14.8679 -10.7809 -10.7809 -10.2842 -10.2842 -10.2676 -10.2676 -10.2546 -10.2546 -10.0988 -10.0988 -10.0883 -10.0883 -3.7765 -3.7765 -3.6448 -3.6448 -2.4632 -2.4632 -2.4394 -2.4394 -2.2282 -2.2282 -2.2124 -2.2124 -0.7416 -0.7416 -0.0923 -0.0923 0.1350 0.1350 0.8402 0.8402 0.8736 0.8736 0.9041 0.9041 0.9239 0.9239 1.1194 1.1194 1.2098 1.2098 1.3764 1.3764 1.3857 1.3857 1.6231 1.6231 1.7382 1.7382 2.0192 2.0192 2.2308 2.2308 2.3903 2.3903 2.4582 2.4582 2.6267 2.6267 4.0995 4.0995 4.7674 4.7674 4.7909 4.7909 4.8491 4.8491 4.9130 4.9130 5.4298 5.4298 5.5330 5.5330 5.5704 5.5704 6.0136 6.0136 6.0823 6.0823 8.5413 8.5413 9.8066 9.8066 9.9292 9.9292 10.0253 10.0253 k = 0.0805 0.1394-0.0000 ( 22437 PWs) bands (ev): -14.8992 -14.8992 -14.8676 -14.8676 -10.7818 -10.7818 -10.2856 -10.2856 -10.2646 -10.2646 -10.2546 -10.2546 -10.0967 -10.0967 -10.0884 -10.0884 -3.7812 -3.7812 -3.6455 -3.6455 -2.4689 -2.4689 -2.4505 -2.4505 -2.2310 -2.2310 -2.2122 -2.2122 -0.7580 -0.7580 -0.0821 -0.0821 0.1232 0.1232 0.8510 0.8510 0.8754 0.8754 0.9053 0.9053 0.9211 0.9211 1.1329 1.1329 1.2053 1.2053 1.3740 1.3740 1.3817 1.3817 1.6412 1.6412 1.7478 1.7478 2.0330 2.0330 2.2509 2.2509 2.4052 2.4052 2.4659 2.4659 2.6377 2.6377 4.0953 4.0953 4.7672 4.7672 4.7905 4.7905 4.8475 4.8475 4.9091 4.9091 5.4299 5.4299 5.5312 5.5312 5.5688 5.5688 6.0278 6.0278 6.0836 6.0836 8.4871 8.4871 9.7553 9.7553 9.9487 9.9487 10.0001 10.0001 k = 0.0690 0.1195-0.0000 ( 22427 PWs) bands (ev): -14.8997 -14.8997 -14.8673 -14.8673 -10.7827 -10.7827 -10.2870 -10.2870 -10.2618 -10.2618 -10.2544 -10.2544 -10.0948 -10.0948 -10.0885 -10.0885 -3.7855 -3.7855 -3.6461 -3.6461 -2.4740 -2.4740 -2.4605 -2.4605 -2.2338 -2.2338 -2.2119 -2.2119 -0.7725 -0.7725 -0.0727 -0.0727 0.1127 0.1127 0.8599 0.8599 0.8771 0.8771 0.9060 0.9060 0.9194 0.9194 1.1452 1.1452 1.2017 1.2017 1.3718 1.3718 1.3780 1.3780 1.6563 1.6563 1.7570 1.7570 2.0455 2.0455 2.2664 2.2664 2.4206 2.4206 2.4738 2.4738 2.6477 2.6477 4.0914 4.0914 4.7669 4.7669 4.7901 4.7901 4.8460 4.8460 4.9057 4.9057 5.4300 5.4300 5.5295 5.5295 5.5674 5.5674 6.0409 6.0409 6.0848 6.0848 8.4391 8.4391 9.7092 9.7092 9.9578 9.9578 9.9850 9.9850 k = 0.0575 0.0995-0.0000 ( 22431 PWs) bands (ev): -14.9002 -14.9002 -14.8671 -14.8671 -10.7834 -10.7834 -10.2883 -10.2883 -10.2594 -10.2594 -10.2540 -10.2540 -10.0931 -10.0931 -10.0887 -10.0887 -3.7892 -3.7892 -3.6468 -3.6468 -2.4784 -2.4784 -2.4691 -2.4691 -2.2364 -2.2364 -2.2116 -2.2116 -0.7850 -0.7850 -0.0645 -0.0645 0.1037 0.1037 0.8669 0.8669 0.8786 0.8786 0.9053 0.9053 0.9196 0.9196 1.1557 1.1557 1.1990 1.1990 1.3698 1.3698 1.3747 1.3747 1.6686 1.6686 1.7656 1.7656 2.0565 2.0565 2.2779 2.2779 2.4348 2.4348 2.4821 2.4821 2.6564 2.6564 4.0878 4.0878 4.7667 4.7667 4.7897 4.7897 4.8445 4.8445 4.9028 4.9028 5.4301 5.4301 5.5280 5.5280 5.5661 5.5661 6.0525 6.0525 6.0858 6.0858 8.3978 8.3978 9.6691 9.6691 9.9466 9.9466 9.9883 9.9883 k = 0.0460 0.0796-0.0000 ( 22429 PWs) bands (ev): -14.9005 -14.9005 -14.8669 -14.8669 -10.7841 -10.7841 -10.2895 -10.2895 -10.2574 -10.2574 -10.2536 -10.2536 -10.0917 -10.0917 -10.0889 -10.0889 -3.7923 -3.7923 -3.6473 -3.6473 -2.4820 -2.4820 -2.4762 -2.4762 -2.2387 -2.2387 -2.2112 -2.2112 -0.7954 -0.7954 -0.0576 -0.0576 0.0963 0.0963 0.8723 0.8723 0.8800 0.8800 0.9032 0.9032 0.9216 0.9216 1.1640 1.1640 1.1974 1.1974 1.3681 1.3681 1.3720 1.3720 1.6781 1.6781 1.7733 1.7733 2.0658 2.0658 2.2861 2.2861 2.4465 2.4465 2.4911 2.4911 2.6637 2.6637 4.0848 4.0848 4.7665 4.7665 4.7895 4.7895 4.8431 4.8431 4.9004 4.9004 5.4301 5.4301 5.5268 5.5268 5.5650 5.5650 6.0621 6.0621 6.0870 6.0870 8.3635 8.3635 9.6354 9.6354 9.9307 9.9307 9.9897 9.9930 k = 0.0345 0.0597-0.0000 ( 22433 PWs) bands (ev): -14.9008 -14.9008 -14.8667 -14.8667 -10.7846 -10.7846 -10.2905 -10.2905 -10.2560 -10.2560 -10.2532 -10.2532 -10.0907 -10.0907 -10.0890 -10.0890 -3.7948 -3.7948 -3.6477 -3.6477 -2.4849 -2.4849 -2.4819 -2.4819 -2.2405 -2.2405 -2.2109 -2.2109 -0.8036 -0.8036 -0.0520 -0.0520 0.0905 0.0905 0.8763 0.8763 0.8811 0.8811 0.9005 0.9005 0.9242 0.9242 1.1699 1.1699 1.1970 1.1970 1.3667 1.3667 1.3699 1.3699 1.6852 1.6852 1.7799 1.7799 2.0733 2.0733 2.2917 2.2917 2.4550 2.4550 2.5000 2.5000 2.6695 2.6695 4.0823 4.0823 4.7663 4.7663 4.7892 4.7892 4.8420 4.8420 4.8986 4.8986 5.4302 5.4302 5.5258 5.5258 5.5642 5.5642 6.0692 6.0692 6.0886 6.0886 8.3364 8.3364 9.6087 9.6087 9.9165 9.9165 9.9705 9.9705 k = 0.0230 0.0398-0.0000 ( 22415 PWs) bands (ev): -14.9010 -14.9010 -14.8666 -14.8666 -10.7849 -10.7849 -10.2912 -10.2912 -10.2550 -10.2550 -10.2527 -10.2527 -10.0899 -10.0899 -10.0891 -10.0891 -3.7965 -3.7965 -3.6481 -3.6481 -2.4871 -2.4871 -2.4858 -2.4858 -2.2419 -2.2419 -2.2107 -2.2107 -0.8095 -0.8095 -0.0480 -0.0480 0.0863 0.0863 0.8793 0.8793 0.8820 0.8820 0.8979 0.8979 0.9266 0.9266 1.1735 1.1735 1.1975 1.1975 1.3656 1.3656 1.3685 1.3685 1.6900 1.6900 1.7848 1.7848 2.0788 2.0788 2.2953 2.2953 2.4604 2.4604 2.5077 2.5077 2.6737 2.6737 4.0805 4.0805 4.7662 4.7662 4.7891 4.7891 4.8411 4.8411 4.8973 4.8973 5.4302 5.4302 5.5251 5.5251 5.5635 5.5635 6.0737 6.0737 6.0904 6.0904 8.3170 8.3170 9.5893 9.5893 9.9054 9.9054 9.9571 9.9571 k = 0.0115 0.0199-0.0000 ( 22403 PWs) bands (ev): -14.9011 -14.9011 -14.8666 -14.8666 -10.7851 -10.7851 -10.2916 -10.2916 -10.2545 -10.2545 -10.2523 -10.2523 -10.0895 -10.0895 -10.0892 -10.0892 -3.7976 -3.7976 -3.6483 -3.6483 -2.4888 -2.4888 -2.4878 -2.4878 -2.2427 -2.2427 -2.2106 -2.2106 -0.8130 -0.8130 -0.0455 -0.0455 0.0837 0.0837 0.8813 0.8813 0.8826 0.8826 0.8959 0.8959 0.9283 0.9283 1.1751 1.1751 1.1983 1.1983 1.3649 1.3649 1.3676 1.3676 1.6928 1.6928 1.7879 1.7879 2.0821 2.0821 2.2974 2.2974 2.4634 2.4634 2.5128 2.5128 2.6763 2.6763 4.0793 4.0793 4.7661 4.7661 4.7890 4.7890 4.8406 4.8406 4.8965 4.8965 5.4302 5.4302 5.5246 5.5246 5.5632 5.5632 6.0760 6.0760 6.0920 6.0920 8.3052 8.3052 9.5776 9.5776 9.8983 9.8983 9.9492 9.9492 k = 0.0000 0.0000 0.0000 ( 22395 PWs) bands (ev): -14.9012 -14.9012 -14.8666 -14.8666 -10.7852 -10.7852 -10.2918 -10.2918 -10.2544 -10.2544 -10.2522 -10.2522 -10.0894 -10.0894 -10.0891 -10.0891 -3.7980 -3.7980 -3.6483 -3.6483 -2.4895 -2.4895 -2.4883 -2.4883 -2.2430 -2.2430 -2.2105 -2.2105 -0.8142 -0.8142 -0.0447 -0.0447 0.0829 0.0829 0.8819 0.8819 0.8829 0.8829 0.8951 0.8951 0.9288 0.9288 1.1756 1.1756 1.1986 1.1986 1.3646 1.3646 1.3674 1.3674 1.6937 1.6937 1.7890 1.7890 2.0832 2.0832 2.2981 2.2981 2.4643 2.4643 2.5146 2.5146 2.6771 2.6771 4.0790 4.0790 4.7661 4.7661 4.7889 4.7889 4.8404 4.8404 4.8962 4.8962 5.4302 5.4302 5.5245 5.5245 5.5630 5.5630 6.0767 6.0767 6.0926 6.0926 8.3013 8.3013 9.5737 9.5737 9.8958 9.8958 9.9467 9.9467 k = 0.0000 0.0000 0.0000 ( 22395 PWs) bands (ev): -14.9012 -14.9012 -14.8666 -14.8666 -10.7852 -10.7852 -10.2918 -10.2918 -10.2544 -10.2544 -10.2522 -10.2522 -10.0894 -10.0894 -10.0891 -10.0891 -3.7980 -3.7980 -3.6483 -3.6483 -2.4895 -2.4895 -2.4883 -2.4883 -2.2430 -2.2430 -2.2105 -2.2105 -0.8142 -0.8142 -0.0447 -0.0447 0.0829 0.0829 0.8819 0.8819 0.8829 0.8829 0.8951 0.8951 0.9288 0.9288 1.1756 1.1756 1.1986 1.1986 1.3646 1.3646 1.3674 1.3674 1.6937 1.6937 1.7890 1.7890 2.0832 2.0832 2.2981 2.2981 2.4643 2.4643 2.5146 2.5146 2.6771 2.6771 4.0790 4.0790 4.7661 4.7661 4.7889 4.7889 4.8404 4.8404 4.8962 4.8962 5.4302 5.4302 5.5245 5.5245 5.5630 5.5630 6.0767 6.0767 6.0926 6.0926 8.3013 8.3013 9.5737 9.5737 9.8958 9.8958 9.9467 9.9467 k = 0.0000 0.0000 0.0222 ( 22401 PWs) bands (ev): -14.9011 -14.9011 -14.8666 -14.8666 -10.7849 -10.7849 -10.2923 -10.2923 -10.2542 -10.2542 -10.2521 -10.2521 -10.0895 -10.0895 -10.0893 -10.0893 -3.7979 -3.7979 -3.6485 -3.6485 -2.4895 -2.4895 -2.4879 -2.4879 -2.2433 -2.2433 -2.2111 -2.2111 -0.8129 -0.8129 -0.0541 -0.0541 0.0931 0.0931 0.8760 0.8760 0.8823 0.8823 0.9012 0.9012 0.9298 0.9298 1.1738 1.1738 1.1959 1.1959 1.3658 1.3658 1.3691 1.3691 1.6951 1.6951 1.7903 1.7903 2.0837 2.0837 2.2963 2.2963 2.4626 2.4626 2.5148 2.5148 2.6766 2.6766 4.0806 4.0806 4.7662 4.7662 4.7892 4.7892 4.8403 4.8403 4.8962 4.8962 5.4291 5.4291 5.5251 5.5251 5.5635 5.5635 6.0760 6.0760 6.0919 6.0919 8.3054 8.3054 9.5696 9.5696 9.8954 9.8954 9.9469 9.9469 k = 0.0000 0.0000 0.0444 ( 22413 PWs) bands (ev): -14.9010 -14.9010 -14.8666 -14.8666 -10.7838 -10.7838 -10.2938 -10.2938 -10.2538 -10.2538 -10.2516 -10.2516 -10.0899 -10.0899 -10.0897 -10.0897 -3.7975 -3.7975 -3.6491 -3.6491 -2.4895 -2.4895 -2.4867 -2.4867 -2.2445 -2.2445 -2.2126 -2.2126 -0.8089 -0.8089 -0.0765 -0.0765 0.1180 0.1180 0.8666 0.8666 0.8805 0.8805 0.9114 0.9114 0.9325 0.9325 1.1685 1.1685 1.1882 1.1882 1.3691 1.3691 1.3738 1.3738 1.6994 1.6994 1.7943 1.7943 2.0850 2.0850 2.2909 2.2909 2.4579 2.4579 2.5153 2.5153 2.6749 2.6749 4.0855 4.0855 4.7664 4.7664 4.7898 4.7898 4.8401 4.8401 4.8960 4.8960 5.4257 5.4257 5.5270 5.5270 5.5649 5.5649 6.0741 6.0741 6.0900 6.0900 8.3178 8.3178 9.5578 9.5578 9.8922 9.8922 9.9246 9.9246 k = 0.0000 0.0000 0.0666 ( 22407 PWs) bands (ev): -14.9008 -14.9008 -14.8667 -14.8667 -10.7821 -10.7821 -10.2963 -10.2963 -10.2531 -10.2531 -10.2509 -10.2509 -10.0906 -10.0906 -10.0903 -10.0903 -3.7970 -3.7970 -3.6501 -3.6501 -2.4894 -2.4894 -2.4847 -2.4847 -2.2465 -2.2465 -2.2152 -2.2152 -0.8024 -0.8024 -0.1040 -0.1040 0.1496 0.1496 0.8571 0.8571 0.8780 0.8780 0.9224 0.9224 0.9367 0.9367 1.1602 1.1602 1.1764 1.1764 1.3741 1.3741 1.3806 1.3806 1.7064 1.7064 1.8008 1.8008 2.0873 2.0873 2.2810 2.2810 2.4511 2.4511 2.5161 2.5161 2.6721 2.6721 4.0935 4.0935 4.7668 4.7668 4.7909 4.7909 4.8397 4.8397 4.8957 4.8957 5.4201 5.4201 5.5301 5.5301 5.5673 5.5673 6.0709 6.0709 6.0867 6.0867 8.3383 8.3383 9.5390 9.5390 9.8639 9.8639 9.8678 9.8678 k = 0.0000 0.0000 0.0889 ( 22467 PWs) bands (ev): -14.9005 -14.9005 -14.8669 -14.8669 -10.7797 -10.7797 -10.2998 -10.2998 -10.2521 -10.2521 -10.2499 -10.2499 -10.0915 -10.0915 -10.0912 -10.0912 -3.7962 -3.7962 -3.6515 -3.6515 -2.4894 -2.4894 -2.4820 -2.4820 -2.2492 -2.2492 -2.2188 -2.2188 -0.7934 -0.7934 -0.1329 -0.1329 0.1843 0.1843 0.8478 0.8478 0.8750 0.8750 0.9337 0.9337 0.9419 0.9419 1.1496 1.1496 1.1616 1.1616 1.3801 1.3801 1.3884 1.3884 1.7161 1.7161 1.8100 1.8100 2.0905 2.0905 2.2657 2.2657 2.4434 2.4434 2.5172 2.5172 2.6682 2.6682 4.1044 4.1044 4.7674 4.7674 4.7925 4.7925 4.8392 4.8392 4.8953 4.8953 5.4124 5.4124 5.5344 5.5344 5.5706 5.5706 6.0664 6.0664 6.0821 6.0821 8.3667 8.3667 9.5145 9.5145 9.7980 9.7980 9.8075 9.8075 k = 0.0000 0.0000 0.1111 ( 22467 PWs) bands (ev): -14.9002 -14.9002 -14.8670 -14.8670 -10.7766 -10.7766 -10.3043 -10.3043 -10.2508 -10.2508 -10.2487 -10.2487 -10.0927 -10.0927 -10.0924 -10.0924 -3.7952 -3.7952 -3.6532 -3.6532 -2.4892 -2.4892 -2.4786 -2.4786 -2.2526 -2.2526 -2.2232 -2.2232 -0.7820 -0.7820 -0.1617 -0.1617 0.2204 0.2204 0.8389 0.8389 0.8718 0.8718 0.9453 0.9453 0.9480 0.9480 1.1374 1.1374 1.1446 1.1446 1.3865 1.3865 1.3964 1.3964 1.7285 1.7285 1.8216 1.8216 2.0945 2.0945 2.2438 2.2438 2.4364 2.4364 2.5186 2.5186 2.6633 2.6633 4.1182 4.1182 4.7680 4.7680 4.7943 4.7943 4.8385 4.8385 4.8947 4.8947 5.4024 5.4024 5.5399 5.5399 5.5749 5.5749 6.0608 6.0608 6.0763 6.0763 8.4027 8.4027 9.4857 9.4857 9.7310 9.7310 9.7406 9.7406 k = 0.0000 0.0000 0.1333 ( 22461 PWs) bands (ev): -14.8998 -14.8998 -14.8672 -14.8672 -10.7729 -10.7729 -10.3097 -10.3097 -10.2492 -10.2492 -10.2471 -10.2471 -10.0941 -10.0941 -10.0939 -10.0939 -3.7940 -3.7940 -3.6553 -3.6553 -2.4890 -2.4890 -2.4745 -2.4745 -2.2568 -2.2568 -2.2284 -2.2284 -0.7685 -0.7685 -0.1894 -0.1894 0.2571 0.2571 0.8305 0.8305 0.8686 0.8686 0.9545 0.9545 0.9570 0.9570 1.1243 1.1243 1.1263 1.1263 1.3927 1.3927 1.4039 1.4039 1.7434 1.7434 1.8356 1.8356 2.0995 2.0995 2.2149 2.2149 2.4309 2.4309 2.5201 2.5201 2.6573 2.6573 4.1346 4.1346 4.7688 4.7688 4.7966 4.7966 4.8377 4.8377 4.8940 4.8940 5.3904 5.3904 5.5465 5.5465 5.5800 5.5800 6.0540 6.0540 6.0694 6.0694 8.4461 8.4461 9.4543 9.4543 9.6652 9.6652 9.6744 9.6744 k = 0.0000 0.0000 0.1555 ( 22485 PWs) bands (ev): -14.8993 -14.8993 -14.8675 -14.8675 -10.7684 -10.7684 -10.3161 -10.3161 -10.2474 -10.2474 -10.2453 -10.2453 -10.0958 -10.0958 -10.0955 -10.0955 -3.7926 -3.7926 -3.6577 -3.6577 -2.4887 -2.4887 -2.4699 -2.4699 -2.2616 -2.2616 -2.2344 -2.2344 -0.7529 -0.7529 -0.2157 -0.2157 0.2941 0.2941 0.8227 0.8227 0.8655 0.8655 0.9614 0.9614 0.9690 0.9690 1.1070 1.1070 1.1107 1.1107 1.3983 1.3983 1.4105 1.4105 1.7608 1.7608 1.8519 1.8519 2.1053 2.1053 2.1791 2.1791 2.4274 2.4274 2.5219 2.5219 2.6503 2.6503 4.1533 4.1533 4.7696 4.7696 4.7990 4.7990 4.8367 4.8367 4.8932 4.8932 5.3763 5.3763 5.5542 5.5542 5.5859 5.5859 6.0461 6.0461 6.0614 6.0614 8.4963 8.4963 9.4216 9.4216 9.6020 9.6020 9.6108 9.6108 k = 0.0000 0.0000 0.1777 ( 22491 PWs) bands (ev): -14.8987 -14.8987 -14.8677 -14.8677 -10.7634 -10.7634 -10.3233 -10.3233 -10.2453 -10.2453 -10.2432 -10.2432 -10.0978 -10.0978 -10.0975 -10.0975 -3.7910 -3.7910 -3.6604 -3.6604 -2.4883 -2.4883 -2.4648 -2.4648 -2.2671 -2.2671 -2.2409 -2.2409 -0.7355 -0.7355 -0.2403 -0.2403 0.3309 0.3309 0.8155 0.8155 0.8626 0.8626 0.9683 0.9683 0.9811 0.9811 1.0872 1.0872 1.0972 1.0972 1.4029 1.4029 1.4157 1.4157 1.7803 1.7803 1.8704 1.8704 2.1120 2.1120 2.1369 2.1369 2.4256 2.4256 2.5237 2.5237 2.6423 2.6423 4.1741 4.1741 4.7705 4.7705 4.8018 4.8018 4.8356 4.8356 4.8923 4.8923 5.3603 5.3603 5.5628 5.5628 5.5927 5.5927 6.0373 6.0373 6.0523 6.0523 8.5530 8.5530 9.3890 9.3890 9.5421 9.5421 9.5506 9.5506 k = 0.0000 0.0000 0.1999 ( 22461 PWs) bands (ev): -14.8980 -14.8980 -14.8681 -14.8681 -10.7576 -10.7576 -10.3314 -10.3314 -10.2429 -10.2429 -10.2409 -10.2409 -10.0999 -10.0999 -10.0996 -10.0996 -3.7893 -3.7893 -3.6634 -3.6634 -2.4877 -2.4877 -2.4592 -2.4592 -2.2732 -2.2732 -2.2478 -2.2478 -0.7166 -0.7166 -0.2628 -0.2628 0.3674 0.3674 0.8090 0.8090 0.8599 0.8599 0.9748 0.9748 0.9933 0.9933 1.0672 1.0672 1.0846 1.0846 1.4064 1.4064 1.4194 1.4194 1.8019 1.8019 1.8909 1.8909 2.0892 2.0892 2.1195 2.1195 2.4252 2.4252 2.5255 2.5255 2.6334 2.6334 4.1969 4.1969 4.7714 4.7714 4.8047 4.8047 4.8343 4.8343 4.8912 4.8912 5.3423 5.3423 5.5724 5.5724 5.6002 5.6002 6.0275 6.0275 6.0423 6.0423 8.6156 8.6156 9.3577 9.3577 9.4863 9.4863 9.4946 9.4946 k = 0.0000 0.0000 0.2222 ( 22485 PWs) bands (ev): -14.8974 -14.8974 -14.8684 -14.8684 -10.7513 -10.7513 -10.3403 -10.3403 -10.2403 -10.2403 -10.2384 -10.2384 -10.1024 -10.1024 -10.1021 -10.1021 -3.7874 -3.7874 -3.6667 -3.6667 -2.4870 -2.4870 -2.4534 -2.4534 -2.2798 -2.2798 -2.2552 -2.2552 -0.6963 -0.6963 -0.2833 -0.2833 0.4033 0.4033 0.8033 0.8033 0.8574 0.8574 0.9803 0.9803 1.0058 1.0058 1.0472 1.0472 1.0736 1.0736 1.4085 1.4085 1.4215 1.4215 1.8254 1.8254 1.9132 1.9132 2.0370 2.0370 2.1278 2.1278 2.4258 2.4258 2.5272 2.5272 2.6236 2.6236 4.2215 4.2215 4.7723 4.7723 4.8077 4.8077 4.8329 4.8329 4.8899 4.8899 5.3226 5.3226 5.5828 5.5828 5.6083 5.6083 6.0169 6.0169 6.0314 6.0314 8.6835 8.6835 9.3286 9.3286 9.4350 9.4350 9.4431 9.4431 k = 0.0000 0.0000 0.2444 ( 22485 PWs) bands (ev): -14.8966 -14.8966 -14.8688 -14.8688 -10.7443 -10.7443 -10.3499 -10.3499 -10.2375 -10.2375 -10.2356 -10.2356 -10.1050 -10.1050 -10.1047 -10.1047 -3.7853 -3.7853 -3.6702 -3.6702 -2.4860 -2.4860 -2.4474 -2.4474 -2.2870 -2.2870 -2.2628 -2.2628 -0.6749 -0.6749 -0.3016 -0.3016 0.4386 0.4386 0.7983 0.7983 0.8552 0.8552 0.9838 0.9838 1.0185 1.0185 1.0275 1.0275 1.0654 1.0654 1.4091 1.4091 1.4218 1.4218 1.8506 1.8506 1.9373 1.9373 1.9809 1.9809 2.1370 2.1370 2.4270 2.4270 2.5286 2.5286 2.6129 2.6129 4.2476 4.2476 4.7732 4.7732 4.8108 4.8108 4.8313 4.8313 4.8885 4.8885 5.3012 5.3012 5.5938 5.5938 5.6172 5.6172 6.0056 6.0056 6.0198 6.0198 8.7562 8.7562 9.3026 9.3026 9.3888 9.3888 9.3967 9.3967 k = 0.0000 0.0000 0.2666 ( 22479 PWs) bands (ev): -14.8958 -14.8958 -14.8693 -14.8693 -10.7366 -10.7366 -10.3602 -10.3602 -10.2344 -10.2344 -10.2325 -10.2325 -10.1079 -10.1079 -10.1075 -10.1075 -3.7832 -3.7832 -3.6739 -3.6739 -2.4848 -2.4848 -2.4412 -2.4412 -2.2945 -2.2945 -2.2705 -2.2705 -0.6527 -0.6527 -0.3176 -0.3176 0.4733 0.4733 0.7941 0.7941 0.8532 0.8532 0.9840 0.9840 1.0081 1.0081 1.0314 1.0314 1.0614 1.0614 1.4082 1.4082 1.4204 1.4204 1.8773 1.8773 1.9218 1.9218 1.9630 1.9630 2.1469 2.1469 2.4283 2.4283 2.5296 2.5296 2.6014 2.6014 4.2751 4.2751 4.7741 4.7741 4.8140 4.8140 4.8296 4.8296 4.8869 4.8869 5.2781 5.2781 5.6055 5.6055 5.6265 5.6265 5.9936 5.9936 6.0075 6.0075 8.8330 8.8330 9.2802 9.2802 9.3478 9.3478 9.3557 9.3557 k = 0.0000 0.0000 0.2888 ( 22461 PWs) bands (ev): -14.8949 -14.8949 -14.8698 -14.8698 -10.7284 -10.7284 -10.3712 -10.3712 -10.2311 -10.2311 -10.2293 -10.2293 -10.1110 -10.1110 -10.1106 -10.1106 -3.7808 -3.7808 -3.6778 -3.6778 -2.4834 -2.4834 -2.4349 -2.4349 -2.3025 -2.3025 -2.2783 -2.2783 -0.6300 -0.6300 -0.3313 -0.3313 0.5071 0.5071 0.7908 0.7908 0.8516 0.8516 0.9802 0.9802 0.9891 0.9891 1.0446 1.0446 1.0624 1.0624 1.4057 1.4057 1.4173 1.4173 1.8604 1.8604 1.9053 1.9053 1.9899 1.9899 2.1576 2.1576 2.4295 2.4295 2.5300 2.5300 2.5892 2.5892 4.3039 4.3039 4.7749 4.7749 4.8172 4.8172 4.8277 4.8277 4.8852 4.8852 5.2535 5.2535 5.6177 5.6177 5.6364 5.6364 5.9811 5.9811 5.9947 5.9947 8.9132 8.9132 9.2623 9.2623 9.3124 9.3124 9.3203 9.3203 k = 0.0000 0.0000 0.3110 ( 22466 PWs) bands (ev): -14.8940 -14.8940 -14.8703 -14.8703 -10.7196 -10.7196 -10.3828 -10.3828 -10.2276 -10.2276 -10.2259 -10.2259 -10.1143 -10.1143 -10.1139 -10.1139 -3.7784 -3.7784 -3.6819 -3.6819 -2.4816 -2.4816 -2.4287 -2.4287 -2.3108 -2.3108 -2.2861 -2.2861 -0.6069 -0.6069 -0.3428 -0.3428 0.5402 0.5402 0.7885 0.7885 0.8503 0.8503 0.9708 0.9708 0.9732 0.9732 1.0580 1.0580 1.0676 1.0676 1.4017 1.4017 1.4125 1.4125 1.7973 1.7973 1.9343 1.9343 2.0180 2.0180 2.1691 2.1691 2.4301 2.4301 2.5297 2.5297 2.5763 2.5763 4.3338 4.3338 4.7758 4.7758 4.8204 4.8204 4.8257 4.8257 4.8833 4.8833 5.2275 5.2275 5.6303 5.6303 5.6466 5.6466 5.9682 5.9682 5.9814 5.9814 8.9959 8.9959 9.2490 9.2490 9.2830 9.2830 9.2909 9.2909 k = 0.0000 0.0000 0.3332 ( 22418 PWs) bands (ev): -14.8931 -14.8931 -14.8708 -14.8708 -10.7102 -10.7102 -10.3949 -10.3949 -10.2239 -10.2239 -10.2222 -10.2222 -10.1178 -10.1178 -10.1173 -10.1173 -3.7759 -3.7759 -3.6860 -3.6860 -2.4795 -2.4795 -2.4226 -2.4226 -2.3194 -2.3194 -2.2938 -2.2938 -0.5839 -0.5839 -0.3521 -0.3521 0.5725 0.5725 0.7871 0.7871 0.8493 0.8493 0.9530 0.9530 0.9643 0.9643 1.0717 1.0717 1.0760 1.0760 1.3961 1.3961 1.4060 1.4060 1.7330 1.7330 1.9641 1.9641 2.0471 2.0471 2.1812 2.1812 2.4300 2.4300 2.5284 2.5284 2.5627 2.5627 4.3648 4.3648 4.7766 4.7766 4.8236 4.8236 4.8236 4.8236 4.8811 4.8811 5.2002 5.2002 5.6432 5.6432 5.6572 5.6572 5.9549 5.9549 5.9677 5.9677 9.0803 9.0803 9.2409 9.2409 9.2597 9.2597 9.2675 9.2675 k = 0.0000 0.0000 0.3555 ( 22436 PWs) bands (ev): -14.8921 -14.8921 -14.8714 -14.8714 -10.7003 -10.7003 -10.4075 -10.4075 -10.2201 -10.2201 -10.2184 -10.2184 -10.1214 -10.1214 -10.1210 -10.1210 -3.7732 -3.7732 -3.6903 -3.6903 -2.4771 -2.4771 -2.4167 -2.4167 -2.3282 -2.3282 -2.3013 -2.3013 -0.5611 -0.5611 -0.3595 -0.3595 0.6040 0.6040 0.7870 0.7870 0.8486 0.8486 0.9361 0.9361 0.9545 0.9545 1.0857 1.0857 1.0863 1.0863 1.3892 1.3892 1.3981 1.3981 1.6683 1.6683 1.9946 1.9946 2.0769 2.0769 2.1941 2.1941 2.4288 2.4288 2.5260 2.5260 2.5486 2.5486 4.3968 4.3968 4.7775 4.7775 4.8214 4.8214 4.8268 4.8268 4.8788 4.8788 5.1717 5.1717 5.6562 5.6562 5.6680 5.6680 5.9413 5.9413 5.9538 5.9538 9.1652 9.1652 9.2382 9.2382 9.2428 9.2428 9.2504 9.2504 k = 0.0000 0.0000 0.3777 ( 22448 PWs) bands (ev): -14.8911 -14.8911 -14.8721 -14.8721 -10.6898 -10.6898 -10.4206 -10.4206 -10.2161 -10.2161 -10.2145 -10.2145 -10.1253 -10.1253 -10.1248 -10.1248 -3.7704 -3.7704 -3.6946 -3.6946 -2.4743 -2.4743 -2.4110 -2.4110 -2.3371 -2.3371 -2.3085 -2.3085 -0.5388 -0.5388 -0.3650 -0.3650 0.6348 0.6348 0.7882 0.7882 0.8483 0.8483 0.9198 0.9198 0.9444 0.9444 1.0981 1.0981 1.1000 1.1000 1.3808 1.3808 1.3887 1.3887 1.6036 1.6036 2.0254 2.0254 2.1071 2.1071 2.2076 2.2076 2.4262 2.4262 2.5223 2.5223 2.5341 2.5341 4.4295 4.4295 4.7785 4.7785 4.8190 4.8190 4.8301 4.8301 4.8762 4.8762 5.1421 5.1421 5.6694 5.6694 5.6791 5.6791 5.9276 5.9276 5.9397 5.9397 9.2296 9.2296 9.2395 9.2395 9.2411 9.2411 9.2522 9.2522 k = 0.0000 0.0000 0.3999 ( 22418 PWs) bands (ev): -14.8901 -14.8901 -14.8728 -14.8728 -10.6789 -10.6789 -10.4340 -10.4340 -10.2119 -10.2119 -10.2104 -10.2104 -10.1293 -10.1293 -10.1287 -10.1287 -3.7676 -3.7676 -3.6990 -3.6990 -2.4710 -2.4710 -2.4055 -2.4055 -2.3461 -2.3461 -2.3155 -2.3155 -0.5173 -0.5173 -0.3690 -0.3690 0.6645 0.6645 0.7911 0.7911 0.8484 0.8484 0.9044 0.9044 0.9345 0.9345 1.1109 1.1109 1.1146 1.1146 1.3712 1.3712 1.3777 1.3777 1.5395 1.5395 2.0563 2.0563 2.1377 2.1377 2.2217 2.2217 2.4222 2.4222 2.5172 2.5172 2.5191 2.5191 4.4630 4.4630 4.7795 4.7795 4.8166 4.8166 4.8333 4.8333 4.8734 4.8734 5.1115 5.1115 5.6827 5.6827 5.6902 5.6902 5.9138 5.9138 5.9254 5.9254 9.2265 9.2265 9.2351 9.2351 9.2497 9.2497 9.3334 9.3334 k = 0.0000 0.0000 0.4221 ( 22382 PWs) bands (ev): -14.8890 -14.8890 -14.8735 -14.8735 -10.6674 -10.6674 -10.4478 -10.4478 -10.2076 -10.2076 -10.2061 -10.2061 -10.1334 -10.1334 -10.1328 -10.1328 -3.7646 -3.7646 -3.7033 -3.7033 -2.4674 -2.4674 -2.4002 -2.4002 -2.3552 -2.3552 -2.3222 -2.3222 -0.4968 -0.4968 -0.3717 -0.3717 0.6928 0.6928 0.7965 0.7965 0.8488 0.8488 0.8898 0.8898 0.9249 0.9249 1.1245 1.1245 1.1294 1.1294 1.3605 1.3605 1.3651 1.3651 1.4769 1.4769 2.0871 2.0871 2.1683 2.1683 2.2364 2.2364 2.4165 2.4165 2.5037 2.5037 2.5104 2.5104 4.4972 4.4972 4.7805 4.7805 4.8141 4.8141 4.8366 4.8366 4.8702 4.8702 5.0802 5.0802 5.6959 5.6959 5.7015 5.7015 5.9000 5.9000 5.9112 5.9112 9.2285 9.2285 9.2369 9.2369 9.2642 9.2642 9.4122 9.4122 k = 0.0000 0.0000 0.4443 ( 22400 PWs) bands (ev): -14.8880 -14.8880 -14.8743 -14.8743 -10.6555 -10.6555 -10.4618 -10.4618 -10.2031 -10.2031 -10.2017 -10.2017 -10.1377 -10.1377 -10.1371 -10.1371 -3.7615 -3.7615 -3.7077 -3.7077 -2.4633 -2.4633 -2.3952 -2.3952 -2.3642 -2.3642 -2.3285 -2.3285 -0.4776 -0.4776 -0.3735 -0.3735 0.7185 0.7185 0.8056 0.8056 0.8497 0.8497 0.8761 0.8761 0.9158 0.9158 1.1388 1.1388 1.1445 1.1445 1.3487 1.3487 1.3497 1.3497 1.4172 1.4172 2.1175 2.1175 2.1988 2.1988 2.2516 2.2516 2.4089 2.4089 2.4880 2.4880 2.5019 2.5019 4.5318 4.5318 4.7817 4.7817 4.8116 4.8116 4.8399 4.8399 4.8666 4.8666 5.0483 5.0483 5.7091 5.7091 5.7129 5.7129 5.8863 5.8863 5.8969 5.8969 9.2365 9.2365 9.2448 9.2448 9.2844 9.2844 9.4849 9.4849 k = 0.0000 0.0000 0.4665 ( 22400 PWs) bands (ev): -14.8869 -14.8869 -14.8751 -14.8751 -10.6432 -10.6432 -10.4760 -10.4760 -10.1986 -10.1986 -10.1973 -10.1973 -10.1421 -10.1421 -10.1414 -10.1414 -3.7583 -3.7583 -3.7121 -3.7121 -2.4588 -2.4588 -2.3905 -2.3905 -2.3732 -2.3732 -2.3346 -2.3346 -0.4598 -0.4598 -0.3747 -0.3747 0.7400 0.7400 0.8206 0.8206 0.8510 0.8510 0.8632 0.8632 0.9072 0.9072 1.1535 1.1535 1.1599 1.1599 1.3253 1.3253 1.3361 1.3361 1.3672 1.3672 2.1474 2.1474 2.2289 2.2289 2.2674 2.2674 2.3994 2.3994 2.4720 2.4720 2.4916 2.4916 4.5669 4.5669 4.7830 4.7830 4.8090 4.8090 4.8433 4.8433 4.8624 4.8624 5.0161 5.0161 5.7223 5.7223 5.7244 5.7244 5.8727 5.8727 5.8828 5.8828 9.2506 9.2506 9.2588 9.2588 9.3102 9.3102 9.5482 9.5482 k = 0.0000 0.0000 0.4888 ( 22376 PWs) bands (ev): -14.8859 -14.8859 -14.8759 -14.8759 -10.6305 -10.6305 -10.4903 -10.4903 -10.1940 -10.1940 -10.1927 -10.1927 -10.1466 -10.1466 -10.1459 -10.1459 -3.7550 -3.7550 -3.7164 -3.7164 -2.4538 -2.4538 -2.3859 -2.3859 -2.3820 -2.3820 -2.3402 -2.3402 -0.4436 -0.4436 -0.3757 -0.3757 0.7562 0.7562 0.8427 0.8427 0.8511 0.8511 0.8527 0.8527 0.8993 0.8993 1.1686 1.1686 1.1755 1.1755 1.2806 1.2806 1.3226 1.3226 1.3386 1.3386 2.1764 2.1764 2.2583 2.2583 2.2837 2.2837 2.3879 2.3879 2.4558 2.4558 2.4794 2.4794 4.6022 4.6022 4.7845 4.7845 4.8064 4.8064 4.8469 4.8469 4.8572 4.8572 4.9840 4.9840 5.7354 5.7354 5.7359 5.7359 5.8593 5.8593 5.8687 5.8687 9.2705 9.2705 9.2785 9.2785 9.3414 9.3414 9.5977 9.5977 k = 0.0000 0.0000 0.5110 ( 22388 PWs) bands (ev): -14.8848 -14.8848 -14.8768 -14.8768 -10.6175 -10.6175 -10.5047 -10.5047 -10.1893 -10.1893 -10.1881 -10.1881 -10.1512 -10.1512 -10.1504 -10.1504 -3.7516 -3.7516 -3.7207 -3.7207 -2.4484 -2.4484 -2.3906 -2.3906 -2.3815 -2.3815 -2.3456 -2.3456 -0.4292 -0.4292 -0.3769 -0.3769 0.7680 0.7680 0.8398 0.8398 0.8549 0.8549 0.8714 0.8714 0.8920 0.8920 1.1841 1.1841 1.1913 1.1913 1.2272 1.2273 1.3084 1.3084 1.3203 1.3203 2.2044 2.2044 2.2869 2.2869 2.3004 2.3004 2.3745 2.3745 2.4392 2.4392 2.4652 2.4652 4.6376 4.6376 4.7861 4.7861 4.8038 4.8038 4.8505 4.8505 4.8507 4.8507 4.9529 4.9529 5.7475 5.7475 5.7485 5.7485 5.8460 5.8460 5.8548 5.8548 9.2959 9.2959 9.3037 9.3037 9.3775 9.3775 9.6285 9.6285 k = 0.0000 0.0000 0.5332 ( 22346 PWs) bands (ev): -14.8837 -14.8837 -14.8777 -14.8777 -10.6041 -10.6041 -10.5192 -10.5192 -10.1845 -10.1845 -10.1834 -10.1834 -10.1558 -10.1558 -10.1550 -10.1550 -3.7481 -3.7481 -3.7248 -3.7248 -2.4426 -2.4426 -2.3990 -2.3990 -2.3772 -2.3772 -2.3507 -2.3507 -0.4167 -0.4167 -0.3786 -0.3786 0.7774 0.7774 0.8293 0.8293 0.8576 0.8576 0.8852 0.8852 0.9051 0.9051 1.1739 1.1739 1.1998 1.1998 1.2072 1.2072 1.2937 1.2937 1.3039 1.3039 2.2312 2.2312 2.3145 2.3145 2.3174 2.3174 2.3592 2.3592 2.4223 2.4223 2.4491 2.4491 4.6730 4.6730 4.7879 4.7879 4.8013 4.8013 4.8406 4.8406 4.8549 4.8549 4.9242 4.9242 5.7592 5.7592 5.7615 5.7615 5.8330 5.8330 5.8411 5.8411 9.3264 9.3264 9.3338 9.3338 9.4180 9.4180 9.5843 9.5843 k = 0.0000 0.0000 0.5554 ( 22334 PWs) bands (ev): -14.8827 -14.8827 -14.8787 -14.8787 -10.5904 -10.5904 -10.5337 -10.5337 -10.1798 -10.1798 -10.1787 -10.1787 -10.1606 -10.1606 -10.1597 -10.1597 -3.7445 -3.7445 -3.7290 -3.7290 -2.4363 -2.4363 -2.4072 -2.4072 -2.3730 -2.3730 -2.3555 -2.3555 -0.4060 -0.4060 -0.3812 -0.3812 0.7856 0.7856 0.8196 0.8196 0.8608 0.8608 0.8792 0.8792 0.9425 0.9425 1.1223 1.1223 1.2156 1.2156 1.2233 1.2233 1.2786 1.2786 1.2878 1.2878 2.2566 2.2566 2.3348 2.3348 2.3409 2.3409 2.3421 2.3421 2.4051 2.4051 2.4310 2.4310 4.7079 4.7079 4.7898 4.7898 4.7988 4.7988 4.8254 4.8254 4.8596 4.8596 4.9005 4.9005 5.7711 5.7711 5.7746 5.7746 5.8202 5.8202 5.8275 5.8275 9.3615 9.3615 9.3684 9.3684 9.4617 9.4617 9.5361 9.5362 k = 0.0000 0.0000 0.5776 ( 22352 PWs) bands (ev): -14.8816 -14.8816 -14.8796 -14.8796 -10.5765 -10.5765 -10.5481 -10.5481 -10.1750 -10.1750 -10.1739 -10.1739 -10.1653 -10.1653 -10.1644 -10.1644 -3.7408 -3.7408 -3.7330 -3.7330 -2.4296 -2.4296 -2.4150 -2.4150 -2.3688 -2.3688 -2.3600 -2.3600 -0.3973 -0.3973 -0.3850 -0.3850 0.7937 0.7937 0.8104 0.8104 0.8645 0.8645 0.8737 0.8737 0.9831 0.9831 1.0732 1.0732 1.2315 1.2315 1.2394 1.2394 1.2631 1.2631 1.2717 1.2717 2.2804 2.2804 2.3232 2.3232 2.3524 2.3524 2.3659 2.3659 2.3876 2.3876 2.4111 2.4111 4.7420 4.7420 4.7918 4.7918 4.7964 4.7964 4.8028 4.8028 4.8653 4.8653 4.8838 4.8838 5.7831 5.7831 5.7877 5.7877 5.8076 5.8076 5.8141 5.8141 9.4007 9.4007 9.4068 9.4068 9.4884 9.4884 9.4926 9.4926 k = 0.0000 0.0000 0.5998 ( 22352 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5623 -10.5623 -10.5623 -10.5623 -10.1701 -10.1701 -10.1701 -10.1701 -10.1692 -10.1692 -10.1692 -10.1692 -3.7369 -3.7369 -3.7369 -3.7369 -2.4225 -2.4225 -2.4225 -2.4225 -2.3645 -2.3645 -2.3645 -2.3645 -0.3903 -0.3903 -0.3903 -0.3903 0.8019 0.8019 0.8019 0.8019 0.8688 0.8688 0.8688 0.8688 1.0268 1.0268 1.0268 1.0268 1.2474 1.2474 1.2474 1.2474 1.2556 1.2556 1.2556 1.2556 2.3027 2.3027 2.3027 2.3027 2.3700 2.3700 2.3700 2.3700 2.3893 2.3893 2.3893 2.3893 4.7742 4.7742 4.7742 4.7742 4.7940 4.7940 4.7940 4.7940 4.8728 4.8728 4.8728 4.8728 5.7952 5.7952 5.7952 5.7952 5.8008 5.8008 5.8008 5.8008 9.4433 9.4433 9.4433 9.4433 9.4485 9.4485 9.4485 9.4485 k = 0.0000 0.0000 0.5998 ( 22352 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5623 -10.5623 -10.5623 -10.5623 -10.1701 -10.1701 -10.1701 -10.1701 -10.1692 -10.1692 -10.1692 -10.1692 -3.7369 -3.7369 -3.7369 -3.7369 -2.4225 -2.4225 -2.4225 -2.4225 -2.3645 -2.3645 -2.3645 -2.3645 -0.3903 -0.3903 -0.3903 -0.3903 0.8019 0.8019 0.8019 0.8019 0.8688 0.8688 0.8688 0.8688 1.0268 1.0268 1.0268 1.0268 1.2474 1.2474 1.2474 1.2474 1.2556 1.2556 1.2556 1.2556 2.3027 2.3027 2.3027 2.3027 2.3700 2.3700 2.3700 2.3700 2.3893 2.3893 2.3893 2.3893 4.7742 4.7742 4.7742 4.7742 4.7940 4.7940 4.7940 4.7940 4.8728 4.8728 4.8728 4.8728 5.7952 5.7952 5.7952 5.7952 5.8008 5.8008 5.8008 5.8008 9.4433 9.4433 9.4433 9.4433 9.4485 9.4485 9.4485 9.4485 k = 0.0192 0.0111 0.5998 ( 22352 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5622 -10.5622 -10.5622 -10.5622 -10.1703 -10.1703 -10.1703 -10.1703 -10.1693 -10.1693 -10.1693 -10.1693 -3.7367 -3.7367 -3.7367 -3.7367 -2.4220 -2.4220 -2.4220 -2.4220 -2.3641 -2.3641 -2.3641 -2.3641 -0.3897 -0.3897 -0.3897 -0.3897 0.8011 0.8011 0.8011 0.8011 0.8677 0.8677 0.8677 0.8677 1.0276 1.0276 1.0276 1.0276 1.2472 1.2472 1.2472 1.2472 1.2554 1.2554 1.2554 1.2554 2.3017 2.3017 2.3017 2.3017 2.3691 2.3691 2.3691 2.3691 2.3885 2.3885 2.3885 2.3885 4.7744 4.7744 4.7744 4.7744 4.7941 4.7941 4.7941 4.7941 4.8729 4.8729 4.8729 4.8729 5.7949 5.7949 5.7949 5.7949 5.8006 5.8006 5.8006 5.8006 9.4455 9.4455 9.4455 9.4455 9.4507 9.4507 9.4507 9.4507 k = 0.0385 0.0222 0.5998 ( 22366 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5618 -10.5618 -10.5618 -10.5618 -10.1709 -10.1709 -10.1709 -10.1709 -10.1695 -10.1695 -10.1695 -10.1695 -3.7360 -3.7360 -3.7360 -3.7360 -2.4206 -2.4206 -2.4206 -2.4206 -2.3630 -2.3630 -2.3630 -2.3630 -0.3877 -0.3877 -0.3877 -0.3877 0.7986 0.7986 0.7986 0.7986 0.8646 0.8646 0.8646 0.8646 1.0298 1.0298 1.0298 1.0298 1.2464 1.2464 1.2464 1.2464 1.2551 1.2551 1.2551 1.2551 2.2990 2.2990 2.2990 2.2990 2.3664 2.3664 2.3664 2.3664 2.3863 2.3863 2.3863 2.3863 4.7750 4.7750 4.7750 4.7750 4.7943 4.7943 4.7943 4.7943 4.8732 4.8732 4.8732 4.8732 5.7938 5.7938 5.7938 5.7938 5.7999 5.7999 5.7999 5.7999 9.4518 9.4518 9.4518 9.4518 9.4577 9.4577 9.4577 9.4577 k = 0.0577 0.0333 0.5998 ( 22370 PWs) bands (ev): -14.8805 -14.8805 -14.8805 -14.8805 -10.5610 -10.5610 -10.5610 -10.5610 -10.1720 -10.1720 -10.1720 -10.1720 -10.1696 -10.1696 -10.1696 -10.1696 -3.7348 -3.7348 -3.7348 -3.7348 -2.4182 -2.4182 -2.4182 -2.4182 -2.3611 -2.3611 -2.3611 -2.3611 -0.3845 -0.3845 -0.3845 -0.3845 0.7942 0.7942 0.7942 0.7942 0.8602 0.8602 0.8602 0.8602 1.0333 1.0333 1.0333 1.0333 1.2451 1.2451 1.2451 1.2451 1.2546 1.2546 1.2546 1.2546 2.2943 2.2943 2.2943 2.2943 2.3617 2.3617 2.3617 2.3617 2.3828 2.3828 2.3828 2.3828 4.7759 4.7759 4.7759 4.7759 4.7945 4.7945 4.7945 4.7945 4.8737 4.8737 4.8737 4.8737 5.7916 5.7916 5.7916 5.7916 5.7991 5.7991 5.7991 5.7991 9.4616 9.4616 9.4616 9.4616 9.4699 9.4699 9.4699 9.4699 k = 0.0769 0.0444 0.5998 ( 22374 PWs) bands (ev): -14.8805 -14.8805 -14.8805 -14.8805 -10.5600 -10.5600 -10.5600 -10.5600 -10.1737 -10.1737 -10.1737 -10.1737 -10.1698 -10.1698 -10.1698 -10.1698 -3.7332 -3.7332 -3.7332 -3.7332 -2.4150 -2.4150 -2.4150 -2.4150 -2.3585 -2.3585 -2.3585 -2.3585 -0.3800 -0.3800 -0.3800 -0.3800 0.7874 0.7874 0.7874 0.7874 0.8552 0.8552 0.8552 0.8552 1.0376 1.0376 1.0376 1.0376 1.2430 1.2430 1.2430 1.2430 1.2543 1.2543 1.2543 1.2543 2.2876 2.2876 2.2876 2.2876 2.3550 2.3550 2.3550 2.3550 2.3786 2.3786 2.3786 2.3786 4.7771 4.7771 4.7771 4.7771 4.7949 4.7949 4.7949 4.7949 4.8745 4.8745 4.8745 4.8745 5.7882 5.7882 5.7882 5.7882 5.7986 5.7986 5.7986 5.7986 9.4746 9.4746 9.4746 9.4746 9.4872 9.4872 9.4872 9.4872 k = 0.0962 0.0555 0.5998 ( 22378 PWs) bands (ev): -14.8804 -14.8804 -14.8804 -14.8804 -10.5587 -10.5587 -10.5587 -10.5587 -10.1758 -10.1758 -10.1758 -10.1758 -10.1699 -10.1699 -10.1699 -10.1699 -3.7311 -3.7311 -3.7311 -3.7311 -2.4110 -2.4110 -2.4110 -2.4110 -2.3551 -2.3551 -2.3551 -2.3551 -0.3744 -0.3744 -0.3744 -0.3744 0.7780 0.7780 0.7780 0.7780 0.8505 0.8505 0.8505 0.8505 1.0423 1.0423 1.0423 1.0423 1.2402 1.2402 1.2402 1.2402 1.2541 1.2541 1.2541 1.2541 2.2788 2.2788 2.2788 2.2788 2.3462 2.3462 2.3462 2.3462 2.3740 2.3740 2.3740 2.3740 4.7785 4.7785 4.7785 4.7785 4.7955 4.7955 4.7955 4.7955 4.8754 4.8754 4.8754 4.8754 5.7835 5.7835 5.7835 5.7835 5.7981 5.7981 5.7981 5.7981 9.4908 9.4908 9.4908 9.4908 9.5095 9.5095 9.5095 9.5095 k = 0.1154 0.0666 0.5998 ( 22370 PWs) bands (ev): -14.8803 -14.8803 -14.8803 -14.8803 -10.5571 -10.5571 -10.5571 -10.5571 -10.1784 -10.1784 -10.1784 -10.1784 -10.1700 -10.1700 -10.1700 -10.1700 -3.7287 -3.7287 -3.7287 -3.7287 -2.4064 -2.4064 -2.4064 -2.4064 -2.3509 -2.3509 -2.3509 -2.3509 -0.3675 -0.3675 -0.3675 -0.3675 0.7658 0.7658 0.7658 0.7658 0.8465 0.8465 0.8465 0.8465 1.0471 1.0471 1.0471 1.0471 1.2366 1.2366 1.2366 1.2366 1.2541 1.2541 1.2541 1.2541 2.2680 2.2680 2.2680 2.2680 2.3353 2.3353 2.3353 2.3353 2.3694 2.3694 2.3694 2.3694 4.7801 4.7801 4.7801 4.7801 4.7962 4.7962 4.7962 4.7962 4.8765 4.8765 4.8765 4.8765 5.7779 5.7779 5.7779 5.7779 5.7977 5.7977 5.7977 5.7977 9.5100 9.5100 9.5100 9.5100 9.5363 9.5363 9.5363 9.5363 k = 0.1346 0.0777 0.5998 ( 22376 PWs) bands (ev): -14.8802 -14.8802 -14.8802 -14.8802 -10.5552 -10.5552 -10.5552 -10.5552 -10.1814 -10.1814 -10.1814 -10.1814 -10.1702 -10.1702 -10.1702 -10.1702 -3.7259 -3.7259 -3.7259 -3.7259 -2.4012 -2.4012 -2.4012 -2.4012 -2.3459 -2.3459 -2.3459 -2.3459 -0.3596 -0.3596 -0.3596 -0.3596 0.7511 0.7511 0.7511 0.7511 0.8434 0.8434 0.8434 0.8434 1.0517 1.0517 1.0517 1.0517 1.2323 1.2323 1.2323 1.2323 1.2542 1.2542 1.2542 1.2542 2.2550 2.2550 2.2550 2.2550 2.3228 2.3228 2.3228 2.3228 2.3647 2.3647 2.3647 2.3647 4.7817 4.7817 4.7817 4.7817 4.7973 4.7973 4.7973 4.7973 4.8779 4.8779 4.8779 4.8779 5.7713 5.7713 5.7713 5.7713 5.7974 5.7974 5.7974 5.7974 9.5320 9.5320 9.5320 9.5320 9.5674 9.5674 9.5674 9.5674 k = 0.1538 0.0888 0.5998 ( 22400 PWs) bands (ev): -14.8801 -14.8801 -14.8801 -14.8801 -10.5532 -10.5532 -10.5532 -10.5532 -10.1848 -10.1848 -10.1848 -10.1848 -10.1703 -10.1703 -10.1703 -10.1703 -3.7228 -3.7228 -3.7228 -3.7228 -2.3956 -2.3956 -2.3956 -2.3956 -2.3401 -2.3401 -2.3401 -2.3401 -0.3507 -0.3507 -0.3507 -0.3507 0.7344 0.7344 0.7344 0.7344 0.8409 0.8409 0.8409 0.8409 1.0560 1.0560 1.0560 1.0560 1.2275 1.2275 1.2275 1.2275 1.2545 1.2545 1.2545 1.2545 2.2401 2.2401 2.2401 2.2401 2.3088 2.3088 2.3088 2.3088 2.3602 2.3602 2.3602 2.3602 4.7831 4.7831 4.7831 4.7831 4.7987 4.7987 4.7987 4.7987 4.8794 4.8794 4.8794 4.8794 5.7640 5.7640 5.7640 5.7640 5.7970 5.7970 5.7970 5.7970 9.5565 9.5565 9.5565 9.5565 9.6024 9.6024 9.6024 9.6024 k = 0.1731 0.0999 0.5998 ( 22388 PWs) bands (ev): -14.8799 -14.8799 -14.8799 -14.8799 -10.5508 -10.5508 -10.5508 -10.5508 -10.1886 -10.1886 -10.1886 -10.1886 -10.1705 -10.1705 -10.1705 -10.1705 -3.7195 -3.7195 -3.7195 -3.7195 -2.3896 -2.3896 -2.3896 -2.3896 -2.3335 -2.3335 -2.3335 -2.3335 -0.3409 -0.3409 -0.3409 -0.3409 0.7162 0.7162 0.7162 0.7162 0.8390 0.8390 0.8390 0.8390 1.0598 1.0598 1.0598 1.0598 1.2221 1.2221 1.2221 1.2221 1.2549 1.2549 1.2549 1.2549 2.2234 2.2234 2.2234 2.2234 2.2938 2.2938 2.2938 2.2938 2.3557 2.3557 2.3557 2.3557 4.7843 4.7843 4.7843 4.7843 4.8006 4.8006 4.8006 4.8006 4.8811 4.8811 4.8811 4.8811 5.7561 5.7561 5.7561 5.7561 5.7967 5.7967 5.7967 5.7967 9.5833 9.5833 9.5833 9.5833 9.6409 9.6409 9.6409 9.6409 k = 0.1923 0.1110 0.5998 ( 22390 PWs) bands (ev): -14.8798 -14.8798 -14.8798 -14.8798 -10.5483 -10.5483 -10.5483 -10.5483 -10.1926 -10.1926 -10.1926 -10.1926 -10.1707 -10.1707 -10.1707 -10.1707 -3.7159 -3.7159 -3.7159 -3.7159 -2.3836 -2.3836 -2.3836 -2.3836 -2.3261 -2.3261 -2.3261 -2.3261 -0.3303 -0.3303 -0.3303 -0.3303 0.6970 0.6970 0.6970 0.6970 0.8374 0.8374 0.8374 0.8374 1.0629 1.0629 1.0629 1.0629 1.2165 1.2165 1.2165 1.2165 1.2554 1.2554 1.2554 1.2554 2.2051 2.2051 2.2051 2.2051 2.2780 2.2780 2.2780 2.2780 2.3514 2.3514 2.3514 2.3514 4.7852 4.7852 4.7852 4.7852 4.8029 4.8029 4.8029 4.8029 4.8830 4.8830 4.8830 4.8830 5.7476 5.7476 5.7476 5.7476 5.7964 5.7964 5.7964 5.7964 9.6120 9.6120 9.6120 9.6120 9.6825 9.6825 9.6825 9.6825 k = 0.2115 0.1221 0.5998 ( 22394 PWs) bands (ev): -14.8797 -14.8797 -14.8797 -14.8797 -10.5456 -10.5456 -10.5456 -10.5456 -10.1969 -10.1969 -10.1969 -10.1969 -10.1709 -10.1709 -10.1709 -10.1709 -3.7121 -3.7121 -3.7121 -3.7121 -2.3775 -2.3775 -2.3775 -2.3775 -2.3181 -2.3181 -2.3181 -2.3181 -0.3190 -0.3190 -0.3190 -0.3190 0.6770 0.6770 0.6770 0.6770 0.8361 0.8361 0.8361 0.8361 1.0653 1.0653 1.0653 1.0653 1.2105 1.2105 1.2105 1.2105 1.2561 1.2561 1.2561 1.2561 2.1857 2.1857 2.1857 2.1857 2.2616 2.2616 2.2616 2.2616 2.3471 2.3471 2.3471 2.3471 4.7857 4.7857 4.7857 4.7857 4.8056 4.8056 4.8056 4.8056 4.8851 4.8851 4.8851 4.8851 5.7388 5.7388 5.7388 5.7388 5.7960 5.7960 5.7960 5.7960 9.6424 9.6424 9.6424 9.6424 9.7268 9.7268 9.7268 9.7268 k = 0.2308 0.1332 0.5998 ( 22414 PWs) bands (ev): -14.8795 -14.8795 -14.8795 -14.8795 -10.5428 -10.5428 -10.5428 -10.5428 -10.2014 -10.2014 -10.2014 -10.2014 -10.1711 -10.1711 -10.1711 -10.1711 -3.7082 -3.7082 -3.7082 -3.7082 -2.3714 -2.3714 -2.3714 -2.3714 -2.3094 -2.3094 -2.3094 -2.3094 -0.3072 -0.3072 -0.3072 -0.3072 0.6568 0.6568 0.6568 0.6568 0.8349 0.8349 0.8349 0.8349 1.0668 1.0668 1.0668 1.0668 1.2045 1.2045 1.2045 1.2045 1.2568 1.2568 1.2568 1.2568 2.1655 2.1655 2.1655 2.1655 2.2450 2.2450 2.2450 2.2450 2.3430 2.3430 2.3430 2.3430 4.7860 4.7860 4.7860 4.7860 4.8086 4.8086 4.8086 4.8086 4.8873 4.8873 4.8873 4.8873 5.7297 5.7297 5.7297 5.7297 5.7957 5.7957 5.7957 5.7957 9.6741 9.6741 9.6741 9.6741 9.7732 9.7732 9.7732 9.7732 k = 0.2500 0.1443 0.5998 ( 22410 PWs) bands (ev): -14.8794 -14.8794 -14.8794 -14.8794 -10.5398 -10.5398 -10.5398 -10.5398 -10.2060 -10.2060 -10.2060 -10.2060 -10.1713 -10.1713 -10.1713 -10.1713 -3.7043 -3.7043 -3.7043 -3.7043 -2.3655 -2.3655 -2.3655 -2.3655 -2.3002 -2.3002 -2.3002 -2.3002 -0.2951 -0.2951 -0.2951 -0.2951 0.6366 0.6366 0.6366 0.6366 0.8338 0.8338 0.8338 0.8338 1.0673 1.0673 1.0673 1.0673 1.1986 1.1986 1.1986 1.1986 1.2577 1.2577 1.2577 1.2577 2.1447 2.1447 2.1447 2.1447 2.2284 2.2284 2.2284 2.2284 2.3390 2.3390 2.3390 2.3390 4.7860 4.7860 4.7860 4.7860 4.8117 4.8117 4.8117 4.8117 4.8896 4.8896 4.8896 4.8896 5.7205 5.7205 5.7205 5.7205 5.7953 5.7953 5.7953 5.7953 9.7068 9.7068 9.7068 9.7068 9.8212 9.8212 9.8212 9.8212 k = 0.2692 0.1554 0.5998 ( 22422 PWs) bands (ev): -14.8792 -14.8792 -14.8792 -14.8792 -10.5368 -10.5368 -10.5368 -10.5368 -10.2107 -10.2107 -10.2107 -10.2107 -10.1714 -10.1714 -10.1714 -10.1714 -3.7004 -3.7004 -3.7004 -3.7004 -2.3598 -2.3598 -2.3598 -2.3598 -2.2906 -2.2906 -2.2906 -2.2906 -0.2828 -0.2828 -0.2828 -0.2828 0.6167 0.6167 0.6167 0.6167 0.8328 0.8328 0.8328 0.8328 1.0669 1.0669 1.0669 1.0669 1.1928 1.1928 1.1928 1.1928 1.2586 1.2586 1.2586 1.2586 2.1239 2.1239 2.1239 2.1239 2.2119 2.2119 2.2119 2.2119 2.3351 2.3351 2.3351 2.3351 4.7859 4.7859 4.7859 4.7859 4.8150 4.8150 4.8150 4.8150 4.8920 4.8920 4.8920 4.8920 5.7112 5.7112 5.7112 5.7112 5.7950 5.7950 5.7950 5.7950 9.7403 9.7403 9.7403 9.7403 9.8702 9.8702 9.8702 9.8702 k = 0.2885 0.1665 0.5998 ( 22406 PWs) bands (ev): -14.8791 -14.8791 -14.8791 -14.8791 -10.5337 -10.5337 -10.5337 -10.5337 -10.2154 -10.2154 -10.2154 -10.2154 -10.1716 -10.1716 -10.1716 -10.1716 -3.6966 -3.6966 -3.6966 -3.6966 -2.3544 -2.3544 -2.3544 -2.3544 -2.2809 -2.2809 -2.2809 -2.2809 -0.2704 -0.2704 -0.2704 -0.2704 0.5975 0.5975 0.5975 0.5975 0.8318 0.8318 0.8318 0.8318 1.0654 1.0654 1.0654 1.0654 1.1875 1.1875 1.1875 1.1875 1.2596 1.2596 1.2596 1.2596 2.1033 2.1033 2.1033 2.1033 2.1959 2.1959 2.1959 2.1959 2.3314 2.3314 2.3314 2.3314 4.7857 4.7857 4.7857 4.7857 4.8182 4.8182 4.8182 4.8182 4.8944 4.8944 4.8944 4.8944 5.7022 5.7022 5.7022 5.7022 5.7947 5.7947 5.7947 5.7947 9.7742 9.7742 9.7742 9.7742 9.9195 9.9195 9.9195 9.9195 k = 0.3077 0.1776 0.5998 ( 22412 PWs) bands (ev): -14.8789 -14.8789 -14.8789 -14.8789 -10.5306 -10.5306 -10.5306 -10.5306 -10.2201 -10.2201 -10.2201 -10.2201 -10.1718 -10.1718 -10.1718 -10.1718 -3.6928 -3.6928 -3.6928 -3.6928 -2.3493 -2.3493 -2.3493 -2.3493 -2.2711 -2.2711 -2.2711 -2.2711 -0.2583 -0.2583 -0.2583 -0.2583 0.5792 0.5792 0.5792 0.5792 0.8308 0.8308 0.8308 0.8308 1.0629 1.0629 1.0629 1.0629 1.1827 1.1827 1.1827 1.1827 1.2606 1.2606 1.2606 1.2606 2.0833 2.0833 2.0833 2.0833 2.1804 2.1804 2.1804 2.1804 2.3279 2.3279 2.3279 2.3279 4.7854 4.7854 4.7854 4.7854 4.8214 4.8214 4.8214 4.8214 4.8968 4.8968 4.8968 4.8968 5.6934 5.6934 5.6934 5.6934 5.7944 5.7944 5.7944 5.7944 9.8081 9.8081 9.8081 9.8081 9.9686 9.9686 9.9686 9.9686 k = 0.3269 0.1887 0.5998 ( 22418 PWs) bands (ev): -14.8788 -14.8788 -14.8788 -14.8788 -10.5276 -10.5276 -10.5276 -10.5276 -10.2247 -10.2247 -10.2247 -10.2247 -10.1720 -10.1720 -10.1720 -10.1720 -3.6892 -3.6892 -3.6892 -3.6892 -2.3445 -2.3445 -2.3445 -2.3445 -2.2616 -2.2616 -2.2616 -2.2616 -0.2466 -0.2466 -0.2466 -0.2466 0.5620 0.5620 0.5620 0.5620 0.8298 0.8298 0.8298 0.8298 1.0595 1.0595 1.0595 1.0595 1.1784 1.1784 1.1784 1.1784 1.2617 1.2617 1.2617 1.2617 2.0642 2.0642 2.0642 2.0642 2.1658 2.1658 2.1658 2.1658 2.3246 2.3246 2.3246 2.3246 4.7850 4.7850 4.7850 4.7850 4.8244 4.8244 4.8244 4.8244 4.8992 4.8992 4.8992 4.8992 5.6850 5.6850 5.6850 5.6850 5.7941 5.7941 5.7941 5.7941 9.8415 9.8415 9.8415 9.8415 10.0166 10.0166 10.0166 10.0166 k = 0.3462 0.1999 0.5998 ( 22414 PWs) bands (ev): -14.8786 -14.8786 -14.8786 -14.8786 -10.5246 -10.5246 -10.5246 -10.5246 -10.2290 -10.2290 -10.2290 -10.2290 -10.1722 -10.1722 -10.1722 -10.1722 -3.6859 -3.6859 -3.6859 -3.6859 -2.3401 -2.3401 -2.3401 -2.3401 -2.2524 -2.2524 -2.2524 -2.2524 -0.2355 -0.2355 -0.2355 -0.2355 0.5462 0.5462 0.5462 0.5462 0.8289 0.8289 0.8289 0.8289 1.0552 1.0552 1.0552 1.0552 1.1749 1.1749 1.1749 1.1749 1.2628 1.2628 1.2628 1.2628 2.0463 2.0463 2.0463 2.0463 2.1522 2.1522 2.1522 2.1522 2.3215 2.3215 2.3215 2.3215 4.7847 4.7847 4.7847 4.7847 4.8272 4.8272 4.8272 4.8272 4.9015 4.9015 4.9015 4.9015 5.6771 5.6771 5.6771 5.6771 5.7938 5.7938 5.7938 5.7938 9.8740 9.8740 9.8740 9.8740 10.0628 10.0628 10.0628 10.0628 k = 0.3654 0.2110 0.5998 ( 22414 PWs) bands (ev): -14.8785 -14.8785 -14.8785 -14.8785 -10.5218 -10.5218 -10.5218 -10.5218 -10.2331 -10.2331 -10.2331 -10.2331 -10.1723 -10.1723 -10.1723 -10.1723 -3.6828 -3.6828 -3.6828 -3.6828 -2.3361 -2.3361 -2.3361 -2.3361 -2.2438 -2.2438 -2.2438 -2.2438 -0.2252 -0.2252 -0.2252 -0.2252 0.5320 0.5320 0.5320 0.5320 0.8281 0.8281 0.8281 0.8281 1.0504 1.0504 1.0504 1.0504 1.1719 1.1719 1.1719 1.1719 1.2638 1.2638 1.2638 1.2638 2.0300 2.0300 2.0300 2.0300 2.1397 2.1397 2.1397 2.1397 2.3187 2.3187 2.3187 2.3187 4.7843 4.7843 4.7843 4.7843 4.8298 4.8298 4.8298 4.8298 4.9036 4.9036 4.9036 4.9036 5.6698 5.6698 5.6698 5.6698 5.7936 5.7936 5.7936 5.7936 9.9049 9.9049 9.9049 9.9049 10.1064 10.1064 10.1064 10.1064 k = 0.3846 0.2221 0.5998 ( 22408 PWs) bands (ev): -14.8784 -14.8784 -14.8784 -14.8784 -10.5193 -10.5193 -10.5193 -10.5193 -10.2369 -10.2369 -10.2368 -10.2368 -10.1725 -10.1725 -10.1725 -10.1725 -3.6801 -3.6801 -3.6801 -3.6801 -2.3325 -2.3325 -2.3325 -2.3325 -2.2359 -2.2359 -2.2359 -2.2359 -0.2158 -0.2158 -0.2158 -0.2158 0.5195 0.5195 0.5195 0.5195 0.8273 0.8273 0.8273 0.8273 1.0453 1.0453 1.0453 1.0453 1.1696 1.1696 1.1696 1.1696 1.2648 1.2648 1.2648 1.2648 2.0153 2.0153 2.0153 2.0153 2.1285 2.1285 2.1285 2.1285 2.3163 2.3163 2.3163 2.3163 4.7839 4.7839 4.7839 4.7839 4.8320 4.8320 4.8320 4.8320 4.9056 4.9056 4.9056 4.9056 5.6633 5.6633 5.6633 5.6633 5.7933 5.7933 5.7933 5.7933 9.9338 9.9338 9.9338 9.9338 10.1465 10.1465 10.1465 10.1465 k = 0.4038 0.2332 0.5998 ( 22416 PWs) bands (ev): -14.8783 -14.8783 -14.8783 -14.8783 -10.5170 -10.5170 -10.5170 -10.5170 -10.2402 -10.2402 -10.2402 -10.2402 -10.1726 -10.1726 -10.1726 -10.1726 -3.6777 -3.6777 -3.6776 -3.6776 -2.3294 -2.3294 -2.3294 -2.3294 -2.2290 -2.2290 -2.2290 -2.2290 -0.2076 -0.2076 -0.2076 -0.2076 0.5089 0.5089 0.5089 0.5089 0.8266 0.8266 0.8266 0.8266 1.0403 1.0403 1.0403 1.0403 1.1678 1.1678 1.1678 1.1678 1.2657 1.2657 1.2657 1.2657 2.0026 2.0026 2.0026 2.0026 2.1188 2.1188 2.1188 2.1188 2.3141 2.3141 2.3141 2.3141 4.7836 4.7836 4.7836 4.7836 4.8340 4.8340 4.8340 4.8340 4.9074 4.9074 4.9074 4.9074 5.6576 5.6576 5.6576 5.6576 5.7932 5.7932 5.7932 5.7932 9.9599 9.9599 9.9599 9.9599 10.1824 10.1824 10.1824 10.1824 k = 0.4231 0.2443 0.5998 ( 22400 PWs) bands (ev): -14.8782 -14.8782 -14.8782 -14.8782 -10.5150 -10.5150 -10.5150 -10.5150 -10.2430 -10.2430 -10.2430 -10.2430 -10.1727 -10.1727 -10.1727 -10.1727 -3.6756 -3.6756 -3.6756 -3.6756 -2.3269 -2.3269 -2.3269 -2.3269 -2.2231 -2.2231 -2.2231 -2.2231 -0.2008 -0.2008 -0.2008 -0.2008 0.5001 0.5001 0.5001 0.5001 0.8260 0.8260 0.8260 0.8260 1.0356 1.0356 1.0356 1.0356 1.1664 1.1664 1.1664 1.1664 1.2665 1.2665 1.2665 1.2665 1.9920 1.9920 1.9920 1.9920 2.1107 2.1107 2.1107 2.1107 2.3123 2.3123 2.3123 2.3123 4.7833 4.7833 4.7833 4.7833 4.8357 4.8357 4.8357 4.8357 4.9089 4.9089 4.9089 4.9089 5.6528 5.6528 5.6528 5.6528 5.7930 5.7930 5.7930 5.7930 9.9826 9.9826 9.9826 9.9826 10.2131 10.2131 10.2131 10.2131 k = 0.4423 0.2554 0.5998 ( 22396 PWs) bands (ev): -14.8782 -14.8782 -14.8782 -14.8782 -10.5134 -10.5134 -10.5134 -10.5134 -10.2453 -10.2453 -10.2453 -10.2453 -10.1728 -10.1728 -10.1728 -10.1728 -3.6740 -3.6740 -3.6740 -3.6740 -2.3249 -2.3249 -2.3249 -2.3249 -2.2183 -2.2183 -2.2183 -2.2183 -0.1953 -0.1953 -0.1953 -0.1953 0.4933 0.4933 0.4933 0.4933 0.8255 0.8255 0.8255 0.8255 1.0315 1.0315 1.0315 1.0315 1.1655 1.1655 1.1655 1.1655 1.2672 1.2672 1.2672 1.2672 1.9836 1.9836 1.9836 1.9836 2.1043 2.1043 2.1043 2.1043 2.3109 2.3109 2.3109 2.3109 4.7831 4.7831 4.7831 4.7831 4.8370 4.8370 4.8370 4.8370 4.9102 4.9102 4.9102 4.9102 5.6490 5.6490 5.6490 5.6490 5.7929 5.7929 5.7929 5.7929 10.0011 10.0011 10.0011 10.0011 10.2379 10.2379 10.2379 10.2379 k = 0.4615 0.2665 0.5998 ( 22380 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5123 -10.5123 -10.5123 -10.5123 -10.2469 -10.2469 -10.2469 -10.2469 -10.1728 -10.1728 -10.1728 -10.1728 -3.6729 -3.6729 -3.6729 -3.6729 -2.3234 -2.3234 -2.3234 -2.3234 -2.2149 -2.2149 -2.2149 -2.2149 -0.1913 -0.1913 -0.1913 -0.1913 0.4884 0.4884 0.4884 0.4884 0.8252 0.8252 0.8252 0.8252 1.0285 1.0285 1.0285 1.0285 1.1648 1.1648 1.1648 1.1648 1.2676 1.2676 1.2676 1.2676 1.9775 1.9775 1.9775 1.9775 2.0997 2.0997 2.0997 2.0997 2.3099 2.3099 2.3099 2.3099 4.7829 4.7829 4.7829 4.7829 4.8379 4.8379 4.8379 4.8379 4.9111 4.9111 4.9111 4.9111 5.6463 5.6463 5.6463 5.6463 5.7928 5.7928 5.7928 5.7928 10.0149 10.0149 10.0149 10.0149 10.2561 10.2561 10.2561 10.2561 k = 0.4808 0.2776 0.5998 ( 22378 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5116 -10.5116 -10.5116 -10.5116 -10.2479 -10.2479 -10.2479 -10.2479 -10.1729 -10.1729 -10.1728 -10.1728 -3.6722 -3.6722 -3.6722 -3.6722 -2.3225 -2.3225 -2.3225 -2.3225 -2.2128 -2.2128 -2.2128 -2.2128 -0.1889 -0.1889 -0.1889 -0.1889 0.4855 0.4855 0.4855 0.4855 0.8249 0.8249 0.8249 0.8249 1.0265 1.0265 1.0265 1.0265 1.1644 1.1644 1.1644 1.1644 1.2679 1.2679 1.2679 1.2679 1.9739 1.9739 1.9739 1.9739 2.0969 2.0969 2.0969 2.0969 2.3093 2.3093 2.3093 2.3093 4.7828 4.7828 4.7828 4.7828 4.8385 4.8385 4.8385 4.8385 4.9116 4.9116 4.9116 4.9116 5.6446 5.6446 5.6446 5.6446 5.7927 5.7927 5.7927 5.7927 10.0234 10.0234 10.0234 10.0234 10.2673 10.2673 10.2673 10.2673 k = 0.5000 0.2887 0.5998 ( 22372 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5113 -10.5113 -10.5113 -10.5113 -10.2483 -10.2483 -10.2483 -10.2483 -10.1729 -10.1729 -10.1729 -10.1729 -3.6719 -3.6719 -3.6719 -3.6719 -2.3222 -2.3222 -2.3222 -2.3222 -2.2121 -2.2121 -2.2121 -2.2121 -0.1881 -0.1881 -0.1881 -0.1881 0.4845 0.4845 0.4845 0.4845 0.8249 0.8249 0.8249 0.8249 1.0259 1.0259 1.0259 1.0259 1.1643 1.1643 1.1643 1.1643 1.2680 1.2680 1.2680 1.2680 1.9727 1.9727 1.9727 1.9727 2.0959 2.0959 2.0959 2.0959 2.3091 2.3091 2.3091 2.3091 4.7828 4.7828 4.7828 4.7828 4.8387 4.8387 4.8387 4.8387 4.9118 4.9118 4.9118 4.9118 5.6441 5.6441 5.6441 5.6441 5.7927 5.7927 5.7927 5.7927 10.0263 10.0263 10.0263 10.0263 10.2710 10.2710 10.2710 10.2710 k = 0.5000 0.2887 0.5998 ( 22372 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5113 -10.5113 -10.5113 -10.5113 -10.2483 -10.2483 -10.2483 -10.2483 -10.1729 -10.1729 -10.1729 -10.1729 -3.6719 -3.6719 -3.6719 -3.6719 -2.3222 -2.3222 -2.3222 -2.3222 -2.2121 -2.2121 -2.2121 -2.2121 -0.1881 -0.1881 -0.1881 -0.1881 0.4845 0.4845 0.4845 0.4845 0.8249 0.8249 0.8249 0.8249 1.0259 1.0259 1.0259 1.0259 1.1643 1.1643 1.1643 1.1643 1.2680 1.2680 1.2680 1.2680 1.9727 1.9727 1.9727 1.9727 2.0959 2.0959 2.0959 2.0959 2.3091 2.3091 2.3091 2.3091 4.7828 4.7828 4.7828 4.7828 4.8387 4.8387 4.8387 4.8387 4.9118 4.9118 4.9118 4.9118 5.6441 5.6441 5.6441 5.6441 5.7927 5.7927 5.7927 5.7927 10.0263 10.0263 10.0263 10.0263 10.2710 10.2710 10.2710 10.2710 k = 0.4889 0.3079 0.5998 ( 22384 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5112 -10.5112 -10.5112 -10.5112 -10.2485 -10.2485 -10.2485 -10.2485 -10.1728 -10.1728 -10.1727 -10.1727 -3.6723 -3.6723 -3.6714 -3.6714 -2.3230 -2.3230 -2.3208 -2.3208 -2.2122 -2.2122 -2.2121 -2.2121 -0.1881 -0.1881 -0.1873 -0.1873 0.4846 0.4846 0.4847 0.4847 0.8190 0.8190 0.8265 0.8265 1.0262 1.0262 1.0282 1.0282 1.1639 1.1639 1.1647 1.1647 1.2670 1.2670 1.2693 1.2693 1.9708 1.9708 1.9748 1.9748 2.0946 2.0946 2.0969 2.0969 2.3071 2.3071 2.3089 2.3089 4.7814 4.7814 4.7845 4.7845 4.8384 4.8384 4.8388 4.8388 4.9107 4.9107 4.9129 4.9129 5.6442 5.6442 5.6446 5.6446 5.7918 5.7918 5.7926 5.7926 10.0237 10.0237 10.0284 10.0284 10.2715 10.2715 10.2756 10.2756 k = 0.4778 0.3272 0.5998 ( 22390 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5110 -10.5110 -10.5108 -10.5108 -10.2492 -10.2492 -10.2491 -10.2491 -10.1726 -10.1726 -10.1724 -10.1724 -3.6725 -3.6725 -3.6706 -3.6706 -2.3230 -2.3230 -2.3188 -2.3188 -2.2125 -2.2125 -2.2123 -2.2123 -0.1874 -0.1874 -0.1857 -0.1857 0.4851 0.4851 0.4852 0.4852 0.8095 0.8095 0.8240 0.8240 1.0292 1.0292 1.0328 1.0328 1.1636 1.1636 1.1651 1.1651 1.2662 1.2662 1.2708 1.2708 1.9692 1.9692 1.9771 1.9771 2.0930 2.0930 2.0975 2.0975 2.3030 2.3030 2.3068 2.3068 4.7803 4.7803 4.7866 4.7866 4.8381 4.8381 4.8389 4.8389 4.9095 4.9095 4.9139 4.9139 5.6450 5.6450 5.6458 5.6458 5.7898 5.7898 5.7915 5.7915 10.0211 10.0211 10.0302 10.0302 10.2771 10.2771 10.2850 10.2850 k = 0.4667 0.3464 0.5998 ( 22414 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5105 -10.5105 -10.5103 -10.5103 -10.2503 -10.2503 -10.2502 -10.2502 -10.1723 -10.1723 -10.1719 -10.1719 -3.6725 -3.6725 -3.6698 -3.6698 -2.3224 -2.3224 -2.3160 -2.3160 -2.2129 -2.2129 -2.2126 -2.2126 -0.1859 -0.1859 -0.1834 -0.1834 0.4860 0.4860 0.4862 0.4862 0.7969 0.7969 0.8177 0.8177 1.0344 1.0344 1.0389 1.0389 1.1633 1.1633 1.1656 1.1656 1.2657 1.2657 1.2726 1.2726 1.9679 1.9679 1.9797 1.9797 2.0911 2.0911 2.0977 2.0977 2.2969 2.2969 2.3027 2.3027 4.7796 4.7796 4.7891 4.7891 4.8377 4.8377 4.8389 4.8389 4.9083 4.9083 4.9149 4.9149 5.6465 5.6465 5.6476 5.6476 5.7868 5.7868 5.7894 5.7894 10.0186 10.0186 10.0315 10.0315 10.2876 10.2876 10.2988 10.2988 k = 0.4556 0.3657 0.5998 ( 22410 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5099 -10.5099 -10.5096 -10.5096 -10.2518 -10.2518 -10.2516 -10.2516 -10.1718 -10.1718 -10.1713 -10.1713 -3.6724 -3.6724 -3.6687 -3.6687 -2.3213 -2.3213 -2.3127 -2.3127 -2.2136 -2.2136 -2.2130 -2.2130 -0.1837 -0.1837 -0.1804 -0.1804 0.4873 0.4873 0.4875 0.4875 0.7819 0.7819 0.8082 0.8082 1.0414 1.0414 1.0458 1.0458 1.1630 1.1630 1.1662 1.1662 1.2655 1.2655 1.2746 1.2746 1.9667 1.9667 1.9825 1.9825 2.0890 2.0890 2.0976 2.0976 2.2890 2.2890 2.2969 2.2969 4.7791 4.7791 4.7918 4.7918 4.8374 4.8374 4.8387 4.8387 4.9070 4.9070 4.9158 4.9158 5.6486 5.6486 5.6500 5.6500 5.7830 5.7830 5.7864 5.7864 10.0166 10.0166 10.0326 10.0326 10.3024 10.3024 10.3162 10.3162 k = 0.4444 0.3849 0.5998 ( 22414 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5091 -10.5091 -10.5087 -10.5087 -10.2536 -10.2536 -10.2534 -10.2534 -10.1713 -10.1712 -10.1707 -10.1707 -3.6721 -3.6721 -3.6676 -3.6676 -2.3195 -2.3195 -2.3089 -2.3089 -2.2144 -2.2144 -2.2136 -2.2136 -0.1810 -0.1810 -0.1768 -0.1768 0.4891 0.4891 0.4892 0.4892 0.7653 0.7653 0.7963 0.7963 1.0492 1.0492 1.0531 1.0531 1.1627 1.1627 1.1668 1.1668 1.2655 1.2655 1.2768 1.2768 1.9658 1.9658 1.9856 1.9856 2.0869 2.0869 2.0971 2.0971 2.2794 2.2794 2.2897 2.2897 4.7789 4.7789 4.7948 4.7948 4.8371 4.8371 4.8383 4.8383 4.9058 4.9058 4.9165 4.9165 5.6513 5.6513 5.6530 5.6530 5.7783 5.7783 5.7826 5.7826 10.0151 10.0151 10.0337 10.0337 10.3210 10.3210 10.3368 10.3368 k = 0.4333 0.4041 0.5998 ( 22388 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5081 -10.5081 -10.5077 -10.5077 -10.2555 -10.2555 -10.2553 -10.2553 -10.1706 -10.1706 -10.1700 -10.1700 -3.6717 -3.6717 -3.6664 -3.6664 -2.3174 -2.3174 -2.3046 -2.3046 -2.2153 -2.2153 -2.2141 -2.2141 -0.1778 -0.1778 -0.1728 -0.1728 0.4914 0.4914 0.4915 0.4915 0.7475 0.7475 0.7827 0.7827 1.0572 1.0572 1.0601 1.0601 1.1625 1.1625 1.1675 1.1675 1.2657 1.2657 1.2792 1.2792 1.9652 1.9652 1.9889 1.9889 2.0847 2.0847 2.0963 2.0963 2.2684 2.2684 2.2813 2.2813 4.7789 4.7789 4.7980 4.7980 4.8369 4.8369 4.8378 4.8378 4.9047 4.9047 4.9173 4.9173 5.6546 5.6546 5.6564 5.6564 5.7729 5.7729 5.7780 5.7780 10.0145 10.0145 10.0349 10.0349 10.3426 10.3426 10.3599 10.3599 k = 0.4222 0.4234 0.5998 ( 22382 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5071 -10.5071 -10.5066 -10.5066 -10.2576 -10.2576 -10.2574 -10.2574 -10.1700 -10.1700 -10.1693 -10.1693 -3.6711 -3.6711 -3.6652 -3.6652 -2.3148 -2.3148 -2.3000 -2.3000 -2.2165 -2.2165 -2.2148 -2.2148 -0.1743 -0.1743 -0.1685 -0.1685 0.4941 0.4941 0.4946 0.4946 0.7291 0.7291 0.7681 0.7681 1.0650 1.0650 1.0665 1.0665 1.1625 1.1625 1.1683 1.1683 1.2661 1.2661 1.2817 1.2817 1.9647 1.9647 1.9923 1.9923 2.0826 2.0826 2.0953 2.0953 2.2565 2.2565 2.2722 2.2722 4.7789 4.7789 4.8014 4.8014 4.8368 4.8368 4.8371 4.8371 4.9036 4.9036 4.9179 4.9179 5.6583 5.6583 5.6603 5.6603 5.7668 5.7668 5.7728 5.7728 10.0145 10.0145 10.0364 10.0364 10.3663 10.3663 10.3848 10.3848 k = 0.4111 0.4426 0.5998 ( 22378 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5060 -10.5060 -10.5055 -10.5055 -10.2598 -10.2598 -10.2595 -10.2595 -10.1694 -10.1694 -10.1686 -10.1686 -3.6705 -3.6705 -3.6639 -3.6639 -2.3121 -2.3121 -2.2952 -2.2952 -2.2177 -2.2177 -2.2154 -2.2154 -0.1705 -0.1705 -0.1640 -0.1640 0.4973 0.4973 0.4983 0.4983 0.7105 0.7105 0.7530 0.7530 1.0721 1.0721 1.0722 1.0722 1.1625 1.1625 1.1691 1.1691 1.2667 1.2667 1.2842 1.2842 1.9643 1.9643 1.9959 1.9959 2.0805 2.0805 2.0939 2.0939 2.2440 2.2440 2.2628 2.2628 4.7791 4.7791 4.8048 4.8048 4.8363 4.8363 4.8368 4.8368 4.9026 4.9026 4.9184 4.9184 5.6625 5.6625 5.6645 5.6645 5.7604 5.7604 5.7671 5.7671 10.0154 10.0154 10.0383 10.0383 10.3913 10.3913 10.4107 10.4107 k = 0.4000 0.4619 0.5998 ( 22390 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5049 -10.5049 -10.5043 -10.5043 -10.2619 -10.2619 -10.2617 -10.2617 -10.1688 -10.1688 -10.1680 -10.1680 -3.6699 -3.6699 -3.6627 -3.6627 -2.3093 -2.3093 -2.2904 -2.2904 -2.2190 -2.2190 -2.2160 -2.2159 -0.1668 -0.1668 -0.1596 -0.1596 0.5010 0.5010 0.5028 0.5028 0.6920 0.6920 0.7379 0.7379 1.0770 1.0770 1.0783 1.0783 1.1626 1.1626 1.1700 1.1700 1.2675 1.2675 1.2867 1.2867 1.9642 1.9642 1.9996 1.9996 2.0784 2.0784 2.0923 2.0923 2.2314 2.2314 2.2535 2.2535 4.7792 4.7792 4.8082 4.8082 4.8353 4.8353 4.8368 4.8368 4.9017 4.9017 4.9189 4.9189 5.6669 5.6669 5.6688 5.6688 5.7537 5.7537 5.7613 5.7613 10.0168 10.0168 10.0405 10.0405 10.4167 10.4167 10.4368 10.4368 k = 0.3889 0.4811 0.5998 ( 22396 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5038 -10.5038 -10.5032 -10.5032 -10.2639 -10.2639 -10.2637 -10.2637 -10.1683 -10.1683 -10.1674 -10.1674 -3.6693 -3.6693 -3.6616 -3.6616 -2.3065 -2.3065 -2.2857 -2.2857 -2.2203 -2.2203 -2.2165 -2.2164 -0.1632 -0.1632 -0.1553 -0.1553 0.5051 0.5051 0.5079 0.5079 0.6742 0.6742 0.7234 0.7234 1.0810 1.0810 1.0834 1.0834 1.1629 1.1629 1.1708 1.1708 1.2683 1.2683 1.2890 1.2890 1.9641 1.9641 2.0035 2.0035 2.0761 2.0761 2.0905 2.0905 2.2194 2.2194 2.2448 2.2448 4.7794 4.7794 4.8115 4.8115 4.8342 4.8342 4.8370 4.8370 4.9010 4.9010 4.9194 4.9194 5.6716 5.6716 5.6732 5.6732 5.7469 5.7469 5.7553 5.7553 10.0186 10.0186 10.0429 10.0429 10.4415 10.4415 10.4622 10.4622 k = 0.3778 0.5004 0.5998 ( 22380 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5028 -10.5028 -10.5022 -10.5022 -10.2657 -10.2657 -10.2654 -10.2654 -10.1679 -10.1679 -10.1670 -10.1670 -3.6686 -3.6686 -3.6606 -3.6606 -2.3039 -2.3039 -2.2814 -2.2814 -2.2215 -2.2215 -2.2168 -2.2168 -0.1600 -0.1600 -0.1515 -0.1515 0.5092 0.5092 0.5137 0.5137 0.6575 0.6575 0.7100 0.7100 1.0840 1.0840 1.0875 1.0875 1.1632 1.1632 1.1716 1.1716 1.2691 1.2691 1.2911 1.2911 1.9641 1.9641 2.0074 2.0074 2.0736 2.0736 2.0885 2.0885 2.2086 2.2086 2.2372 2.2372 4.7796 4.7796 4.8146 4.8146 4.8329 4.8329 4.8372 4.8372 4.9004 4.9004 4.9197 4.9197 5.6762 5.6762 5.6775 5.6775 5.7403 5.7403 5.7496 5.7496 10.0207 10.0207 10.0454 10.0454 10.4646 10.4646 10.4858 10.4858 k = 0.3667 0.5196 0.5998 ( 22378 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5020 -10.5020 -10.5013 -10.5013 -10.2672 -10.2672 -10.2670 -10.2670 -10.1676 -10.1676 -10.1666 -10.1666 -3.6681 -3.6681 -3.6597 -3.6597 -2.3018 -2.3018 -2.2777 -2.2777 -2.2226 -2.2226 -2.2171 -2.2171 -0.1572 -0.1572 -0.1482 -0.1482 0.5132 0.5132 0.5196 0.5196 0.6426 0.6426 0.6983 0.6983 1.0862 1.0862 1.0904 1.0904 1.1635 1.1635 1.1722 1.1722 1.2698 1.2698 1.2929 1.2929 1.9641 1.9641 2.0113 2.0113 2.0708 2.0708 2.0865 2.0865 2.1996 2.1996 2.2310 2.2310 4.7797 4.7797 4.8174 4.8174 4.8316 4.8316 4.8374 4.8374 4.8999 4.8999 4.9200 4.9200 5.6807 5.6807 5.6813 5.6813 5.7342 5.7342 5.7445 5.7445 10.0229 10.0229 10.0478 10.0478 10.4848 10.4848 10.5065 10.5065 k = 0.3556 0.5389 0.5998 ( 22376 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5013 -10.5013 -10.5006 -10.5006 -10.2683 -10.2683 -10.2681 -10.2681 -10.1673 -10.1673 -10.1664 -10.1664 -3.6677 -3.6677 -3.6591 -3.6591 -2.3001 -2.3001 -2.2748 -2.2748 -2.2234 -2.2234 -2.2172 -2.2172 -0.1551 -0.1551 -0.1457 -0.1457 0.5166 0.5166 0.5251 0.5251 0.6304 0.6304 0.6893 0.6893 1.0876 1.0876 1.0924 1.0924 1.1638 1.1638 1.1727 1.1727 1.2703 1.2703 1.2942 1.2942 1.9641 1.9641 2.0147 2.0147 2.0678 2.0678 2.0847 2.0847 2.1931 2.1931 2.2266 2.2266 4.7797 4.7797 4.8198 4.8198 4.8304 4.8304 4.8377 4.8377 4.8996 4.8996 4.9203 4.9203 5.6845 5.6845 5.6845 5.6845 5.7291 5.7291 5.7404 5.7404 10.0247 10.0247 10.0498 10.0498 10.5009 10.5009 10.5231 10.5231 k = 0.3444 0.5581 0.5998 ( 22390 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5009 -10.5009 -10.5002 -10.5002 -10.2690 -10.2690 -10.2688 -10.2688 -10.1672 -10.1672 -10.1662 -10.1662 -3.6674 -3.6674 -3.6587 -3.6587 -2.2990 -2.2990 -2.2730 -2.2730 -2.2238 -2.2238 -2.2172 -2.2172 -0.1537 -0.1537 -0.1441 -0.1441 0.5189 0.5189 0.5291 0.5291 0.6222 0.6222 0.6834 0.6834 1.0884 1.0884 1.0934 1.0934 1.1640 1.1640 1.1730 1.1730 1.2707 1.2707 1.2950 1.2950 1.9641 1.9641 2.0174 2.0174 2.0651 2.0651 2.0833 2.0833 2.1891 2.1891 2.2239 2.2239 4.7798 4.7798 4.8215 4.8215 4.8294 4.8294 4.8378 4.8378 4.8995 4.8995 4.9204 4.9204 5.6865 5.6865 5.6872 5.6872 5.7256 5.7256 5.7377 5.7377 10.0260 10.0260 10.0512 10.0512 10.5115 10.5115 10.5340 10.5340 k = 0.3333 0.5774 0.5998 ( 22362 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5008 -10.5008 -10.5000 -10.5000 -10.2693 -10.2693 -10.2691 -10.2691 -10.1672 -10.1672 -10.1662 -10.1662 -3.6673 -3.6673 -3.6585 -3.6585 -2.2987 -2.2987 -2.2724 -2.2724 -2.2240 -2.2240 -2.2172 -2.2172 -0.1532 -0.1532 -0.1435 -0.1435 0.5197 0.5197 0.5306 0.5306 0.6192 0.6192 0.6814 0.6814 1.0887 1.0887 1.0938 1.0938 1.1641 1.1641 1.1731 1.1731 1.2708 1.2708 1.2953 1.2953 1.9641 1.9641 2.0184 2.0184 2.0640 2.0640 2.0828 2.0828 2.1879 2.1879 2.2231 2.2231 4.7798 4.7798 4.8221 4.8221 4.8290 4.8290 4.8379 4.8379 4.8994 4.8994 4.9204 4.9204 5.6872 5.6872 5.6881 5.6881 5.7244 5.7244 5.7368 5.7368 10.0266 10.0266 10.0518 10.0518 10.5152 10.5152 10.5379 10.5379 k = 0.3333 0.5774 0.5998 ( 22362 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5008 -10.5008 -10.5000 -10.5000 -10.2693 -10.2693 -10.2691 -10.2691 -10.1672 -10.1672 -10.1662 -10.1662 -3.6673 -3.6673 -3.6585 -3.6585 -2.2987 -2.2987 -2.2724 -2.2724 -2.2240 -2.2240 -2.2172 -2.2172 -0.1532 -0.1532 -0.1435 -0.1435 0.5197 0.5197 0.5306 0.5306 0.6192 0.6192 0.6814 0.6814 1.0887 1.0887 1.0938 1.0938 1.1641 1.1641 1.1731 1.1731 1.2708 1.2708 1.2953 1.2953 1.9641 1.9641 2.0184 2.0184 2.0640 2.0640 2.0828 2.0828 2.1879 2.1879 2.2231 2.2231 4.7798 4.7798 4.8221 4.8221 4.8290 4.8290 4.8379 4.8379 4.8994 4.8994 4.9204 4.9204 5.6872 5.6872 5.6881 5.6881 5.7244 5.7244 5.7368 5.7368 10.0266 10.0266 10.0518 10.0518 10.5152 10.5152 10.5379 10.5379 k = 0.3218 0.5574 0.5998 ( 22386 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5009 -10.5009 -10.5002 -10.5002 -10.2690 -10.2690 -10.2688 -10.2688 -10.1672 -10.1672 -10.1662 -10.1662 -3.6674 -3.6674 -3.6587 -3.6587 -2.2991 -2.2991 -2.2730 -2.2730 -2.2239 -2.2239 -2.2173 -2.2173 -0.1538 -0.1538 -0.1442 -0.1442 0.5189 0.5189 0.5291 0.5291 0.6223 0.6223 0.6835 0.6835 1.0885 1.0885 1.0935 1.0935 1.1640 1.1640 1.1730 1.1730 1.2707 1.2707 1.2950 1.2950 1.9642 1.9642 2.0172 2.0172 2.0655 2.0655 2.0835 2.0835 2.1891 2.1891 2.2239 2.2239 4.7798 4.7798 4.8215 4.8215 4.8293 4.8293 4.8378 4.8378 4.8995 4.8995 4.9204 4.9204 5.6865 5.6865 5.6872 5.6872 5.7256 5.7256 5.7377 5.7377 10.0259 10.0259 10.0511 10.0511 10.5109 10.5109 10.5333 10.5333 k = 0.3103 0.5375 0.5998 ( 22390 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5015 -10.5015 -10.5008 -10.5008 -10.2681 -10.2681 -10.2679 -10.2679 -10.1673 -10.1673 -10.1664 -10.1664 -3.6678 -3.6678 -3.6592 -3.6592 -2.3002 -2.3002 -2.2749 -2.2749 -2.2238 -2.2238 -2.2176 -2.2176 -0.1555 -0.1555 -0.1461 -0.1461 0.5167 0.5167 0.5255 0.5255 0.6306 0.6306 0.6898 0.6898 1.0878 1.0878 1.0926 1.0926 1.1638 1.1638 1.1727 1.1727 1.2703 1.2703 1.2941 1.2941 1.9646 1.9646 2.0143 2.0143 2.0699 2.0699 2.0856 2.0856 2.1925 2.1925 2.2264 2.2264 4.7798 4.7798 4.8202 4.8202 4.8299 4.8299 4.8375 4.8375 4.8995 4.8995 4.9202 4.9202 5.6849 5.6849 5.6851 5.6851 5.7288 5.7288 5.7402 5.7402 10.0237 10.0237 10.0488 10.0488 10.4973 10.4973 10.5191 10.5191 k = 0.2989 0.5176 0.5998 ( 22396 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5024 -10.5024 -10.5017 -10.5017 -10.2667 -10.2667 -10.2665 -10.2665 -10.1675 -10.1675 -10.1666 -10.1666 -3.6685 -3.6685 -3.6601 -3.6601 -2.3021 -2.3021 -2.2777 -2.2777 -2.2240 -2.2240 -2.2182 -2.2182 -0.1584 -0.1584 -0.1494 -0.1494 0.5139 0.5139 0.5213 0.5213 0.6427 0.6427 0.6995 0.6995 1.0868 1.0868 1.0914 1.0914 1.1634 1.1634 1.1724 1.1724 1.2696 1.2696 1.2928 1.2928 1.9657 1.9657 2.0106 2.0106 2.0767 2.0767 2.0892 2.0892 2.1977 2.1977 2.2302 2.2302 4.7798 4.7798 4.8185 4.8185 4.8303 4.8303 4.8370 4.8370 4.8996 4.8996 4.9198 4.9198 5.6826 5.6826 5.6830 5.6830 5.7331 5.7331 5.7438 5.7438 10.0197 10.0197 10.0446 10.0446 10.4745 10.4745 10.4950 10.4950 k = 0.2874 0.4977 0.5998 ( 22394 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5037 -10.5037 -10.5030 -10.5030 -10.2646 -10.2646 -10.2644 -10.2644 -10.1678 -10.1678 -10.1668 -10.1668 -3.6694 -3.6694 -3.6613 -3.6613 -2.3046 -2.3046 -2.2814 -2.2814 -2.2248 -2.2248 -2.2194 -2.2194 -0.1625 -0.1625 -0.1541 -0.1541 0.5113 0.5113 0.5178 0.5178 0.6572 0.6572 0.7117 0.7117 1.0855 1.0855 1.0899 1.0899 1.1630 1.1630 1.1720 1.1720 1.2688 1.2688 1.2910 1.2910 1.9677 1.9677 2.0074 2.0074 2.0852 2.0852 2.0944 2.0944 2.2042 2.2042 2.2352 2.2352 4.7799 4.7799 4.8167 4.8167 4.8305 4.8305 4.8363 4.8363 4.8996 4.8996 4.9192 4.9192 5.6804 5.6804 5.6811 5.6811 5.7379 5.7379 5.7479 5.7479 10.0136 10.0136 10.0383 10.0383 10.4428 10.4428 10.4616 10.4616 k = 0.2759 0.4778 0.5998 ( 22398 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5054 -10.5054 -10.5047 -10.5047 -10.2620 -10.2620 -10.2617 -10.2617 -10.1681 -10.1681 -10.1671 -10.1671 -3.6707 -3.6707 -3.6629 -3.6629 -2.3078 -2.3078 -2.2857 -2.2857 -2.2263 -2.2263 -2.2214 -2.2214 -0.1679 -0.1679 -0.1602 -0.1602 0.5095 0.5095 0.5159 0.5159 0.6730 0.6730 0.7257 0.7257 1.0840 1.0840 1.0882 1.0882 1.1626 1.1626 1.1717 1.1717 1.2678 1.2678 1.2888 1.2888 1.9711 1.9711 2.0055 2.0055 2.0951 2.0951 2.1010 2.1010 2.2118 2.2118 2.2411 2.2411 4.7800 4.7800 4.8149 4.8149 4.8303 4.8303 4.8353 4.8353 4.8995 4.8995 4.9184 4.9184 5.6788 5.6788 5.6797 5.6797 5.7431 5.7431 5.7524 5.7524 10.0051 10.0051 10.0294 10.0294 10.4031 10.4031 10.4200 10.4200 k = 0.2644 0.4579 0.5998 ( 22402 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5074 -10.5074 -10.5068 -10.5068 -10.2588 -10.2588 -10.2585 -10.2585 -10.1684 -10.1684 -10.1675 -10.1675 -3.6723 -3.6723 -3.6650 -3.6650 -2.3114 -2.3114 -2.2906 -2.2906 -2.2288 -2.2288 -2.2241 -2.2241 -0.1745 -0.1745 -0.1676 -0.1676 0.5091 0.5091 0.5161 0.5161 0.6894 0.6894 0.7407 0.7407 1.0824 1.0824 1.0864 1.0864 1.1623 1.1623 1.1716 1.1716 1.2667 1.2667 1.2864 1.2864 1.9762 1.9762 2.0055 2.0055 2.1061 2.1061 2.1089 2.1089 2.2201 2.2201 2.2478 2.2478 4.7801 4.7801 4.8130 4.8130 4.8297 4.8297 4.8340 4.8340 4.8992 4.8992 4.9174 4.9174 5.6781 5.6781 5.6789 5.6789 5.7482 5.7482 5.7570 5.7570 9.9940 9.9940 10.0180 10.0180 10.3568 10.3568 10.3714 10.3714 k = 0.2529 0.4380 0.5998 ( 22396 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5097 -10.5097 -10.5092 -10.5092 -10.2551 -10.2551 -10.2548 -10.2548 -10.1687 -10.1687 -10.1678 -10.1678 -3.6742 -3.6742 -3.6674 -3.6674 -2.3155 -2.3155 -2.2960 -2.2960 -2.2322 -2.2322 -2.2277 -2.2277 -0.1823 -0.1823 -0.1763 -0.1763 0.5107 0.5107 0.5186 0.5186 0.7060 0.7060 0.7559 0.7559 1.0808 1.0808 1.0847 1.0847 1.1624 1.1624 1.1718 1.1718 1.2655 1.2655 1.2839 1.2839 1.9832 1.9832 2.0077 2.0077 2.1179 2.1179 2.1180 2.1180 2.2290 2.2290 2.2550 2.2550 4.7804 4.7804 4.8111 4.8111 4.8288 4.8288 4.8325 4.8325 4.8988 4.8988 4.9161 4.9161 5.6783 5.6783 5.6791 5.6791 5.7532 5.7532 5.7615 5.7615 9.9803 9.9803 10.0037 10.0037 10.3050 10.3050 10.3173 10.3173 k = 0.2414 0.4181 0.5998 ( 22416 PWs) bands (ev): -14.8782 -14.8782 -14.8782 -14.8782 -10.5124 -10.5124 -10.5119 -10.5119 -10.2509 -10.2509 -10.2506 -10.2506 -10.1691 -10.1691 -10.1682 -10.1682 -3.6764 -3.6764 -3.6701 -3.6701 -2.3201 -2.3201 -2.3018 -2.3018 -2.2367 -2.2367 -2.2323 -2.2323 -0.1913 -0.1913 -0.1861 -0.1861 0.5143 0.5143 0.5235 0.5235 0.7221 0.7221 0.7708 0.7708 1.0792 1.0792 1.0831 1.0831 1.1628 1.1628 1.1724 1.1724 1.2643 1.2643 1.2812 1.2812 1.9923 1.9923 2.0123 2.0123 2.1282 2.1282 2.1305 2.1305 2.2382 2.2382 2.2627 2.2627 4.7806 4.7806 4.8093 4.8093 4.8275 4.8275 4.8308 4.8308 4.8981 4.8981 4.9145 4.9145 5.6795 5.6795 5.6801 5.6801 5.7581 5.7581 5.7659 5.7659 9.9639 9.9639 9.9867 9.9867 10.2491 10.2491 10.2591 10.2591 k = 0.2299 0.3982 0.5998 ( 22432 PWs) bands (ev): -14.8783 -14.8783 -14.8783 -14.8783 -10.5153 -10.5153 -10.5148 -10.5148 -10.2464 -10.2464 -10.2461 -10.2461 -10.1694 -10.1694 -10.1686 -10.1686 -3.6790 -3.6790 -3.6732 -3.6732 -2.3249 -2.3249 -2.3079 -2.3079 -2.2422 -2.2422 -2.2378 -2.2378 -0.2013 -0.2013 -0.1969 -0.1969 0.5203 0.5203 0.5309 0.5309 0.7375 0.7375 0.7849 0.7849 1.0778 1.0778 1.0817 1.0817 1.1638 1.1638 1.1735 1.1735 1.2631 1.2631 1.2785 1.2785 2.0035 2.0035 2.0194 2.0194 2.1392 2.1392 2.1438 2.1438 2.2477 2.2477 2.2706 2.2706 4.7810 4.7810 4.8075 4.8075 4.8259 4.8259 4.8288 4.8288 4.8973 4.8973 4.9126 4.9126 5.6818 5.6818 5.6822 5.6822 5.7627 5.7627 5.7701 5.7701 9.9448 9.9448 9.9669 9.9669 10.1904 10.1904 10.1984 10.1984 k = 0.2184 0.3783 0.5998 ( 22442 PWs) bands (ev): -14.8784 -14.8784 -14.8784 -14.8784 -10.5183 -10.5183 -10.5180 -10.5180 -10.2416 -10.2416 -10.2412 -10.2412 -10.1697 -10.1697 -10.1689 -10.1689 -3.6819 -3.6819 -3.6766 -3.6766 -2.3300 -2.3300 -2.3143 -2.3143 -2.2486 -2.2486 -2.2443 -2.2443 -0.2123 -0.2123 -0.2086 -0.2086 0.5287 0.5287 0.5408 0.5408 0.7517 0.7517 0.7977 0.7977 1.0766 1.0766 1.0805 1.0805 1.1656 1.1656 1.1751 1.1751 1.2619 1.2619 1.2759 1.2759 2.0169 2.0169 2.0291 2.0291 2.1509 2.1509 2.1575 2.1575 2.2572 2.2572 2.2788 2.2788 4.7813 4.7813 4.8058 4.8058 4.8240 4.8240 4.8267 4.8267 4.8962 4.8962 4.9105 4.9105 5.6852 5.6852 5.6853 5.6853 5.7671 5.7671 5.7740 5.7740 9.9232 9.9232 9.9444 9.9444 10.1300 10.1300 10.1362 10.1362 k = 0.2069 0.3584 0.5998 ( 22422 PWs) bands (ev): -14.8785 -14.8785 -14.8785 -14.8785 -10.5216 -10.5216 -10.5212 -10.5212 -10.2365 -10.2365 -10.2361 -10.2361 -10.1700 -10.1700 -10.1692 -10.1692 -3.6850 -3.6850 -3.6803 -3.6803 -2.3354 -2.3354 -2.3209 -2.3209 -2.2559 -2.2559 -2.2515 -2.2515 -0.2240 -0.2240 -0.2210 -0.2210 0.5394 0.5394 0.5529 0.5529 0.7647 0.7647 0.8090 0.8090 1.0756 1.0756 1.0795 1.0795 1.1681 1.1681 1.1774 1.1774 1.2607 1.2607 1.2733 1.2733 2.0323 2.0323 2.0412 2.0412 2.1634 2.1634 2.1718 2.1718 2.2668 2.2668 2.2870 2.2870 4.7817 4.7817 4.8041 4.8041 4.8219 4.8219 4.8243 4.8243 4.8949 4.8949 4.9081 4.9081 5.6893 5.6893 5.6895 5.6895 5.7711 5.7711 5.7777 5.7777 9.8992 9.8992 9.9195 9.9195 10.0692 10.0692 10.0738 10.0738 k = 0.1954 0.3384 0.5998 ( 22414 PWs) bands (ev): -14.8787 -14.8787 -14.8787 -14.8787 -10.5249 -10.5249 -10.5246 -10.5246 -10.2312 -10.2312 -10.2308 -10.2308 -10.1702 -10.1702 -10.1695 -10.1695 -3.6883 -3.6883 -3.6842 -3.6842 -2.3410 -2.3410 -2.3277 -2.3277 -2.2640 -2.2640 -2.2596 -2.2596 -0.2364 -0.2364 -0.2340 -0.2340 0.5523 0.5523 0.5671 0.5671 0.7761 0.7761 0.8186 0.8186 1.0747 1.0747 1.0786 1.0786 1.1715 1.1715 1.1803 1.1803 1.2596 1.2596 1.2708 1.2708 2.0496 2.0496 2.0555 2.0555 2.1763 2.1763 2.1864 2.1864 2.2762 2.2762 2.2952 2.2952 4.7822 4.7822 4.8025 4.8025 4.8195 4.8195 4.8218 4.8218 4.8935 4.8935 4.9056 4.9056 5.6942 5.6942 5.6948 5.6948 5.7748 5.7748 5.7810 5.7810 9.8731 9.8731 9.8924 9.8924 10.0088 10.0088 10.0122 10.0122 k = 0.1839 0.3185 0.5998 ( 22410 PWs) bands (ev): -14.8788 -14.8788 -14.8788 -14.8788 -10.5283 -10.5283 -10.5280 -10.5280 -10.2258 -10.2258 -10.2254 -10.2254 -10.1704 -10.1704 -10.1697 -10.1697 -3.6919 -3.6919 -3.6883 -3.6883 -2.3467 -2.3467 -2.3347 -2.3347 -2.2725 -2.2725 -2.2682 -2.2682 -0.2493 -0.2493 -0.2474 -0.2474 0.5672 0.5672 0.5831 0.5831 0.7861 0.7861 0.8264 0.8264 1.0740 1.0740 1.0777 1.0777 1.1758 1.1758 1.1838 1.1838 1.2586 1.2586 1.2685 1.2685 2.0687 2.0687 2.0719 2.0719 2.1897 2.1897 2.2012 2.2012 2.2855 2.2855 2.3033 2.3033 4.7826 4.7826 4.8009 4.8009 4.8170 4.8170 4.8192 4.8192 4.8919 4.8919 4.9028 4.9028 5.7000 5.7000 5.7009 5.7009 5.7783 5.7783 5.7840 5.7840 9.8452 9.8452 9.8634 9.8634 9.9496 9.9496 9.9520 9.9520 k = 0.1724 0.2986 0.5998 ( 22418 PWs) bands (ev): -14.8790 -14.8790 -14.8790 -14.8790 -10.5316 -10.5316 -10.5314 -10.5314 -10.2204 -10.2204 -10.2199 -10.2199 -10.1705 -10.1705 -10.1699 -10.1699 -3.6956 -3.6956 -3.6925 -3.6925 -2.3526 -2.3526 -2.3418 -2.3418 -2.2815 -2.2815 -2.2772 -2.2772 -0.2624 -0.2624 -0.2610 -0.2610 0.5839 0.5839 0.6006 0.6006 0.7947 0.7947 0.8327 0.8327 1.0732 1.0732 1.0766 1.0766 1.1809 1.1809 1.1880 1.1880 1.2576 1.2576 1.2663 1.2663 2.0891 2.0891 2.0901 2.0901 2.2034 2.2034 2.2163 2.2163 2.2945 2.2945 2.3113 2.3113 4.7830 4.7830 4.7994 4.7994 4.8143 4.8143 4.8165 4.8165 4.8902 4.8902 4.9000 4.9000 5.7066 5.7066 5.7077 5.7077 5.7813 5.7813 5.7867 5.7867 9.8158 9.8158 9.8328 9.8328 9.8923 9.8923 9.8940 9.8940 k = 0.1609 0.2787 0.5998 ( 22416 PWs) bands (ev): -14.8791 -14.8791 -14.8791 -14.8791 -10.5350 -10.5350 -10.5348 -10.5348 -10.2150 -10.2150 -10.2145 -10.2145 -10.1706 -10.1706 -10.1700 -10.1700 -3.6995 -3.6995 -3.6968 -3.6968 -2.3586 -2.3586 -2.3491 -2.3491 -2.2906 -2.2906 -2.2866 -2.2866 -0.2757 -0.2757 -0.2746 -0.2746 0.6021 0.6021 0.6194 0.6194 0.8019 0.8019 0.8374 0.8374 1.0723 1.0723 1.0752 1.0752 1.1868 1.1868 1.1928 1.1928 1.2567 1.2567 1.2642 1.2642 2.1096 2.1096 2.1106 2.1106 2.2174 2.2174 2.2314 2.2314 2.3032 2.3032 2.3191 2.3191 4.7833 4.7833 4.7978 4.7978 4.8115 4.8115 4.8137 4.8137 4.8885 4.8885 4.8970 4.8970 5.7137 5.7137 5.7151 5.7151 5.7841 5.7841 5.7890 5.7890 9.7851 9.7851 9.8009 9.8009 9.8374 9.8374 9.8386 9.8386 k = 0.1494 0.2588 0.5998 ( 22408 PWs) bands (ev): -14.8793 -14.8793 -14.8793 -14.8793 -10.5383 -10.5383 -10.5381 -10.5381 -10.2096 -10.2096 -10.2092 -10.2092 -10.1707 -10.1707 -10.1701 -10.1701 -3.7034 -3.7034 -3.7012 -3.7012 -2.3647 -2.3647 -2.3564 -2.3564 -2.2997 -2.2997 -2.2960 -2.2960 -0.2888 -0.2888 -0.2880 -0.2880 0.6214 0.6214 0.6390 0.6390 0.8080 0.8080 0.8409 0.8409 1.0710 1.0710 1.0735 1.0735 1.1931 1.1931 1.1980 1.1980 1.2560 1.2560 1.2624 1.2624 2.1302 2.1302 2.1327 2.1327 2.2316 2.2316 2.2465 2.2465 2.3117 2.3117 2.3266 2.3266 4.7836 4.7836 4.7962 4.7962 4.8087 4.8087 4.8109 4.8109 4.8868 4.8868 4.8941 4.8941 5.7214 5.7214 5.7230 5.7230 5.7865 5.7865 5.7911 5.7911 9.7533 9.7533 9.7681 9.7681 9.7854 9.7854 9.7865 9.7865 k = 0.1379 0.2389 0.5998 ( 22388 PWs) bands (ev): -14.8794 -14.8794 -14.8794 -14.8794 -10.5415 -10.5415 -10.5414 -10.5414 -10.2044 -10.2044 -10.2040 -10.2040 -10.1707 -10.1707 -10.1701 -10.1701 -3.7073 -3.7073 -3.7056 -3.7056 -2.3708 -2.3708 -2.3638 -2.3638 -2.3086 -2.3086 -2.3052 -2.3052 -0.3018 -0.3018 -0.3012 -0.3012 0.6417 0.6417 0.6592 0.6592 0.8132 0.8132 0.8434 0.8434 1.0694 1.0694 1.0713 1.0713 1.1998 1.1998 1.2036 1.2036 1.2553 1.2553 1.2607 1.2607 2.1514 2.1514 2.1551 2.1551 2.2459 2.2459 2.2614 2.2614 2.3198 2.3198 2.3338 2.3338 4.7837 4.7837 4.7946 4.7946 4.8060 4.8060 4.8082 4.8082 4.8850 4.8850 4.8912 4.8912 5.7294 5.7294 5.7312 5.7312 5.7886 5.7886 5.7928 5.7928 9.7203 9.7203 9.7331 9.7331 9.7381 9.7381 9.7383 9.7383 k = 0.1264 0.2190 0.5998 ( 22360 PWs) bands (ev): -14.8796 -14.8796 -14.8796 -14.8796 -10.5445 -10.5445 -10.5444 -10.5444 -10.1995 -10.1995 -10.1991 -10.1991 -10.1707 -10.1707 -10.1702 -10.1702 -3.7112 -3.7112 -3.7098 -3.7098 -2.3770 -2.3770 -2.3712 -2.3712 -2.3172 -2.3172 -2.3142 -2.3142 -0.3143 -0.3143 -0.3139 -0.3139 0.6624 0.6624 0.6795 0.6795 0.8178 0.8178 0.8452 0.8452 1.0673 1.0673 1.0686 1.0686 1.2066 1.2066 1.2093 1.2093 1.2547 1.2547 1.2592 1.2592 2.1726 2.1726 2.1772 2.1772 2.2603 2.2603 2.2761 2.2761 2.3276 2.3276 2.3408 2.3408 4.7837 4.7837 4.7927 4.7927 4.8036 4.8036 4.8055 4.8055 4.8833 4.8833 4.8884 4.8884 5.7377 5.7377 5.7395 5.7395 5.7905 5.7905 5.7943 5.7943 9.6842 9.6842 9.6899 9.6899 9.6965 9.6965 9.7020 9.7020 k = 0.1149 0.1991 0.5998 ( 22366 PWs) bands (ev): -14.8798 -14.8798 -14.8798 -14.8798 -10.5474 -10.5474 -10.5473 -10.5473 -10.1947 -10.1947 -10.1943 -10.1943 -10.1706 -10.1706 -10.1701 -10.1701 -3.7150 -3.7150 -3.7140 -3.7140 -2.3831 -2.3831 -2.3785 -2.3785 -2.3252 -2.3252 -2.3227 -2.3227 -0.3263 -0.3263 -0.3260 -0.3260 0.6832 0.6832 0.6996 0.6996 0.8219 0.8219 0.8464 0.8464 1.0646 1.0646 1.0654 1.0654 1.2133 1.2133 1.2151 1.2151 1.2542 1.2542 1.2579 1.2579 2.1935 2.1935 2.1985 2.1985 2.2747 2.2747 2.2903 2.2903 2.3351 2.3351 2.3474 2.3474 4.7834 4.7834 4.7907 4.7907 4.8014 4.8014 4.8031 4.8031 4.8817 4.8817 4.8857 4.8857 5.7459 5.7459 5.7479 5.7479 5.7921 5.7921 5.7955 5.7955 9.6451 9.6451 9.6481 9.6481 9.6614 9.6614 9.6679 9.6679 k = 0.1034 0.1792 0.5998 ( 22374 PWs) bands (ev): -14.8799 -14.8799 -14.8799 -14.8799 -10.5501 -10.5501 -10.5500 -10.5500 -10.1903 -10.1903 -10.1899 -10.1899 -10.1705 -10.1705 -10.1701 -10.1701 -3.7187 -3.7187 -3.7179 -3.7179 -2.3891 -2.3891 -2.3856 -2.3856 -2.3325 -2.3325 -2.3306 -2.3306 -0.3376 -0.3376 -0.3374 -0.3374 0.7037 0.7037 0.7189 0.7189 0.8258 0.8258 0.8474 0.8474 1.0613 1.0613 1.0617 1.0617 1.2197 1.2197 1.2207 1.2207 1.2538 1.2538 1.2569 1.2569 2.2135 2.2135 2.2184 2.2184 2.2890 2.2890 2.3039 2.3039 2.3424 2.3424 2.3536 2.3536 4.7829 4.7829 4.7884 4.7884 4.7996 4.7996 4.8009 4.8009 4.8802 4.8802 4.8832 4.8832 5.7541 5.7541 5.7560 5.7560 5.7934 5.7934 5.7965 5.7965 9.6077 9.6077 9.6099 9.6099 9.6286 9.6286 9.6340 9.6340 k = 0.0920 0.1593 0.5998 ( 22372 PWs) bands (ev): -14.8800 -14.8800 -14.8800 -14.8800 -10.5525 -10.5525 -10.5525 -10.5525 -10.1862 -10.1862 -10.1859 -10.1859 -10.1704 -10.1704 -10.1700 -10.1700 -3.7222 -3.7222 -3.7216 -3.7216 -2.3950 -2.3950 -2.3924 -2.3924 -2.3392 -2.3392 -2.3378 -2.3378 -0.3480 -0.3480 -0.3479 -0.3479 0.7234 0.7234 0.7371 0.7371 0.8299 0.8299 0.8483 0.8483 1.0575 1.0575 1.0575 1.0575 1.2257 1.2257 1.2261 1.2261 1.2536 1.2536 1.2560 1.2560 2.2321 2.2321 2.2367 2.2367 2.3032 2.3032 2.3168 2.3168 2.3495 2.3495 2.3595 2.3595 4.7821 4.7821 4.7861 4.7861 4.7982 4.7982 4.7991 4.7991 4.8787 4.8787 4.8810 4.8810 5.7620 5.7620 5.7638 5.7638 5.7945 5.7945 5.7972 5.7972 9.5737 9.5737 9.5756 9.5756 9.5969 9.5969 9.6007 9.6007 k = 0.0805 0.1394 0.5998 ( 22356 PWs) bands (ev): -14.8802 -14.8802 -14.8802 -14.8802 -10.5548 -10.5548 -10.5547 -10.5547 -10.1825 -10.1825 -10.1822 -10.1822 -10.1703 -10.1703 -10.1699 -10.1699 -3.7254 -3.7254 -3.7250 -3.7250 -2.4006 -2.4006 -2.3988 -2.3988 -2.3451 -2.3451 -2.3441 -2.3441 -0.3575 -0.3575 -0.3574 -0.3574 0.7420 0.7420 0.7536 0.7536 0.8344 0.8344 0.8494 0.8494 1.0529 1.0529 1.0531 1.0531 1.2311 1.2311 1.2311 1.2311 1.2534 1.2534 1.2553 1.2553 2.2490 2.2490 2.2527 2.2527 2.3170 2.3170 2.3287 2.3287 2.3564 2.3564 2.3650 2.3650 4.7810 4.7810 4.7837 4.7837 4.7971 4.7971 4.7976 4.7976 4.8774 4.8774 4.8790 4.8790 5.7694 5.7694 5.7711 5.7711 5.7955 5.7955 5.7978 5.7978 9.5435 9.5435 9.5452 9.5452 9.5664 9.5664 9.5686 9.5686 k = 0.0690 0.1195 0.5998 ( 22358 PWs) bands (ev): -14.8803 -14.8803 -14.8803 -14.8803 -10.5567 -10.5567 -10.5567 -10.5567 -10.1792 -10.1792 -10.1789 -10.1789 -10.1702 -10.1702 -10.1699 -10.1699 -3.7283 -3.7283 -3.7280 -3.7280 -2.4059 -2.4059 -2.4047 -2.4047 -2.3502 -2.3502 -2.3496 -2.3496 -0.3660 -0.3660 -0.3659 -0.3659 0.7587 0.7587 0.7678 0.7678 0.8396 0.8396 0.8511 0.8511 1.0480 1.0480 1.0483 1.0483 1.2356 1.2356 1.2358 1.2358 1.2534 1.2534 1.2548 1.2548 2.2637 2.2637 2.2665 2.2665 2.3301 2.3301 2.3394 2.3394 2.3632 2.3632 2.3702 2.3702 4.7797 4.7797 4.7814 4.7814 4.7962 4.7962 4.7964 4.7964 4.8763 4.8763 4.8773 4.8773 5.7761 5.7761 5.7777 5.7777 5.7963 5.7963 5.7983 5.7983 9.5173 9.5173 9.5188 9.5188 9.5378 9.5378 9.5387 9.5387 k = 0.0575 0.0995 0.5998 ( 22364 PWs) bands (ev): -14.8804 -14.8804 -14.8804 -14.8804 -10.5584 -10.5584 -10.5584 -10.5584 -10.1764 -10.1764 -10.1762 -10.1762 -10.1700 -10.1700 -10.1698 -10.1698 -3.7308 -3.7308 -3.7307 -3.7307 -2.4106 -2.4106 -2.4099 -2.4099 -2.3546 -2.3546 -2.3542 -2.3542 -0.3732 -0.3732 -0.3732 -0.3732 0.7730 0.7730 0.7794 0.7794 0.8456 0.8456 0.8534 0.8534 1.0430 1.0430 1.0433 1.0433 1.2395 1.2395 1.2397 1.2397 1.2536 1.2536 1.2546 1.2546 2.2760 2.2760 2.2779 2.2779 2.3420 2.3420 2.3486 2.3486 2.3699 2.3699 2.3749 2.3749 4.7784 4.7784 4.7793 4.7793 4.7955 4.7955 4.7956 4.7956 4.8753 4.8753 4.8759 4.8759 5.7821 5.7821 5.7835 5.7835 5.7971 5.7971 5.7986 5.7986 9.4951 9.4951 9.4964 9.4964 9.5119 9.5119 9.5120 9.5120 k = 0.0460 0.0796 0.5998 ( 22368 PWs) bands (ev): -14.8805 -14.8805 -14.8805 -14.8805 -10.5598 -10.5598 -10.5598 -10.5598 -10.1740 -10.1740 -10.1739 -10.1739 -10.1699 -10.1699 -10.1697 -10.1697 -3.7330 -3.7330 -3.7329 -3.7329 -2.4147 -2.4147 -2.4143 -2.4143 -2.3581 -2.3581 -2.3579 -2.3579 -0.3793 -0.3793 -0.3793 -0.3793 0.7845 0.7845 0.7882 0.7882 0.8521 0.8521 0.8567 0.8567 1.0381 1.0381 1.0383 1.0383 1.2426 1.2426 1.2428 1.2428 1.2539 1.2539 1.2545 1.2545 2.2859 2.2860 2.2870 2.2870 2.3522 2.3522 2.3562 2.3562 2.3761 2.3761 2.3792 2.3792 4.7771 4.7771 4.7775 4.7775 4.7949 4.7949 4.7950 4.7950 4.8744 4.8744 4.8747 4.8747 5.7871 5.7871 5.7882 5.7882 5.7978 5.7978 5.7990 5.7990 9.4769 9.4769 9.4779 9.4779 9.4892 9.4892 9.4895 9.4895 k = 0.0345 0.0597 0.5998 ( 22372 PWs) bands (ev): -14.8805 -14.8805 -14.8805 -14.8805 -10.5609 -10.5609 -10.5609 -10.5609 -10.1722 -10.1722 -10.1721 -10.1721 -10.1697 -10.1697 -10.1696 -10.1696 -3.7347 -3.7347 -3.7346 -3.7346 -2.4180 -2.4180 -2.4178 -2.4178 -2.3609 -2.3609 -2.3608 -2.3608 -0.3841 -0.3841 -0.3841 -0.3841 0.7928 0.7928 0.7945 0.7945 0.8586 0.8586 0.8607 0.8607 1.0337 1.0337 1.0338 1.0338 1.2449 1.2449 1.2450 1.2450 1.2544 1.2544 1.2547 1.2547 2.2934 2.2934 2.2939 2.2939 2.3603 2.3603 2.3621 2.3621 2.3816 2.3816 2.3831 2.3831 4.7759 4.7759 4.7761 4.7761 4.7945 4.7945 4.7946 4.7946 4.8737 4.8737 4.8739 4.8739 5.7910 5.7910 5.7917 5.7917 5.7987 5.7987 5.7994 5.7994 9.4627 9.4627 9.4634 9.4634 9.4711 9.4711 9.4715 9.4715 k = 0.0230 0.0398 0.5998 ( 22364 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5617 -10.5617 -10.5617 -10.5617 -10.1710 -10.1710 -10.1709 -10.1709 -10.1695 -10.1695 -10.1695 -10.1695 -3.7359 -3.7359 -3.7359 -3.7359 -2.4204 -2.4204 -2.4204 -2.4204 -2.3629 -2.3629 -2.3628 -2.3628 -0.3875 -0.3875 -0.3875 -0.3875 0.7981 0.7981 0.7987 0.7987 0.8640 0.8640 0.8647 0.8647 1.0300 1.0300 1.0301 1.0301 1.2463 1.2463 1.2464 1.2464 1.2550 1.2550 1.2551 1.2551 2.2986 2.2986 2.2988 2.2988 2.3659 2.3659 2.3665 2.3665 2.3858 2.3858 2.3863 2.3863 4.7750 4.7750 4.7751 4.7751 4.7943 4.7943 4.7943 4.7943 4.8732 4.8732 4.8733 4.8733 5.7936 5.7936 5.7938 5.7938 5.7997 5.7997 5.7999 5.7999 9.4523 9.4523 9.4526 9.4526 9.4583 9.4583 9.4585 9.4585 k = 0.0115 0.0199 0.5998 ( 22348 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5622 -10.5622 -10.5622 -10.5622 -10.1703 -10.1703 -10.1703 -10.1703 -10.1693 -10.1693 -10.1693 -10.1693 -3.7367 -3.7367 -3.7367 -3.7367 -2.4220 -2.4220 -2.4220 -2.4220 -2.3641 -2.3641 -2.3641 -2.3641 -0.3896 -0.3896 -0.3896 -0.3896 0.8010 0.8010 0.8010 0.8010 0.8676 0.8676 0.8677 0.8677 1.0276 1.0276 1.0276 1.0276 1.2471 1.2471 1.2471 1.2471 1.2554 1.2554 1.2554 1.2554 2.3017 2.3017 2.3017 2.3017 2.3690 2.3690 2.3691 2.3691 2.3884 2.3884 2.3885 2.3885 4.7744 4.7744 4.7744 4.7744 4.7941 4.7941 4.7941 4.7941 4.8729 4.8729 4.8729 4.8729 5.7949 5.7949 5.7949 5.7949 5.8005 5.8005 5.8006 5.8006 9.4457 9.4457 9.4457 9.4457 9.4509 9.4509 9.4509 9.4509 k = 0.0000 0.0000 0.5998 ( 22352 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.5623 -10.5623 -10.5623 -10.5623 -10.1701 -10.1701 -10.1701 -10.1701 -10.1692 -10.1692 -10.1692 -10.1692 -3.7369 -3.7369 -3.7369 -3.7369 -2.4225 -2.4225 -2.4225 -2.4225 -2.3645 -2.3645 -2.3645 -2.3645 -0.3903 -0.3903 -0.3903 -0.3903 0.8019 0.8019 0.8019 0.8019 0.8688 0.8688 0.8688 0.8688 1.0268 1.0268 1.0268 1.0268 1.2474 1.2474 1.2474 1.2474 1.2556 1.2556 1.2556 1.2556 2.3027 2.3027 2.3027 2.3027 2.3700 2.3700 2.3700 2.3700 2.3893 2.3893 2.3893 2.3893 4.7742 4.7742 4.7742 4.7742 4.7940 4.7940 4.7940 4.7940 4.8728 4.8728 4.8728 4.8728 5.7952 5.7952 5.7952 5.7952 5.8008 5.8008 5.8008 5.8008 9.4433 9.4433 9.4433 9.4433 9.4485 9.4485 9.4485 9.4485 k = 0.5000 0.2887 0.5998 ( 22372 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5113 -10.5113 -10.5113 -10.5113 -10.2483 -10.2483 -10.2483 -10.2483 -10.1729 -10.1729 -10.1729 -10.1729 -3.6719 -3.6719 -3.6719 -3.6719 -2.3222 -2.3222 -2.3222 -2.3222 -2.2121 -2.2121 -2.2121 -2.2121 -0.1881 -0.1881 -0.1881 -0.1881 0.4845 0.4845 0.4845 0.4845 0.8249 0.8249 0.8249 0.8249 1.0259 1.0259 1.0259 1.0259 1.1643 1.1643 1.1643 1.1643 1.2680 1.2680 1.2680 1.2680 1.9727 1.9727 1.9727 1.9727 2.0959 2.0959 2.0959 2.0959 2.3091 2.3091 2.3091 2.3091 4.7828 4.7828 4.7828 4.7828 4.8387 4.8387 4.8387 4.8387 4.9118 4.9118 4.9118 4.9118 5.6441 5.6441 5.6441 5.6441 5.7927 5.7927 5.7927 5.7927 10.0263 10.0263 10.0263 10.0263 10.2710 10.2710 10.2710 10.2710 k = 0.5000 0.2887 0.5776 ( 22380 PWs) bands (ev): -14.8784 -14.8784 -14.8778 -14.8778 -10.5266 -10.5266 -10.4960 -10.4960 -10.2525 -10.2525 -10.2439 -10.2439 -10.1782 -10.1782 -10.1676 -10.1676 -3.6731 -3.6731 -3.6708 -3.6708 -2.3245 -2.3245 -2.3199 -2.3199 -2.2132 -2.2132 -2.2109 -2.2109 -0.2029 -0.2029 -0.1740 -0.1740 0.4715 0.4715 0.4990 0.4990 0.8150 0.8150 0.8356 0.8356 1.0187 1.0187 1.0316 1.0316 1.1107 1.1107 1.2192 1.2192 1.2513 1.2513 1.2861 1.2861 1.9498 1.9498 1.9934 1.9934 2.0836 2.0836 2.1064 2.1064 2.2934 2.2934 2.3247 2.3247 4.7758 4.7758 4.7849 4.7849 4.8240 4.8240 4.8532 4.8532 4.8989 4.8989 4.9297 4.9297 5.6286 5.6286 5.6598 5.6598 5.7806 5.7806 5.8051 5.8051 9.9910 9.9910 10.0589 10.0589 10.2620 10.2620 10.2824 10.2824 k = 0.5000 0.2887 0.5554 ( 22372 PWs) bands (ev): -14.8788 -14.8788 -14.8775 -14.8775 -10.5417 -10.5417 -10.4807 -10.4807 -10.2565 -10.2565 -10.2395 -10.2395 -10.1834 -10.1834 -10.1623 -10.1623 -3.6742 -3.6742 -3.6696 -3.6696 -2.3266 -2.3266 -2.3175 -2.3175 -2.2143 -2.2143 -2.2097 -2.2097 -0.2181 -0.2181 -0.1606 -0.1606 0.4602 0.4602 0.5150 0.5150 0.8060 0.8060 0.8473 0.8473 1.0091 1.0091 1.0333 1.0333 1.0642 1.0642 1.2329 1.2329 1.2735 1.2735 1.3081 1.3081 1.9250 1.9250 2.0119 2.0119 2.0702 2.0702 2.1138 2.1138 2.2792 2.2792 2.3394 2.3394 4.7597 4.7597 4.7850 4.7850 4.8151 4.8151 4.8640 4.8640 4.8906 4.8906 4.9522 4.9522 5.6135 5.6135 5.6755 5.6755 5.7687 5.7687 5.8177 5.8177 9.9548 9.9548 10.0865 10.0865 10.2548 10.2548 10.2965 10.2965 k = 0.5000 0.2887 0.5332 ( 22388 PWs) bands (ev): -14.8792 -14.8792 -14.8772 -14.8772 -10.5567 -10.5567 -10.4655 -10.4655 -10.2604 -10.2604 -10.2350 -10.2350 -10.1887 -10.1887 -10.1571 -10.1571 -3.6753 -3.6753 -3.6684 -3.6684 -2.3286 -2.3286 -2.3149 -2.3149 -2.2153 -2.2153 -2.2085 -2.2085 -0.2335 -0.2335 -0.1483 -0.1483 0.4507 0.4507 0.5321 0.5321 0.7979 0.7979 0.8596 0.8596 0.9869 0.9869 1.0164 1.0164 1.0504 1.0504 1.2166 1.2166 1.3081 1.3081 1.3490 1.3490 1.8984 1.8984 2.0279 2.0279 2.0562 2.0562 2.1162 2.1162 2.2681 2.2681 2.3528 2.3528 4.7355 4.7355 4.7843 4.7843 4.8124 4.8124 4.8689 4.8689 4.8879 4.8879 4.9780 4.9780 5.5991 5.5991 5.6909 5.6909 5.7570 5.7570 5.8305 5.8305 9.9190 9.9190 10.1058 10.1058 10.2490 10.2490 10.3135 10.3135 k = 0.5000 0.2887 0.5110 ( 22400 PWs) bands (ev): -14.8795 -14.8795 -14.8770 -14.8770 -10.5715 -10.5715 -10.4504 -10.4504 -10.2641 -10.2641 -10.2304 -10.2304 -10.1939 -10.1939 -10.1519 -10.1519 -3.6764 -3.6764 -3.6671 -3.6671 -2.3305 -2.3305 -2.3123 -2.3123 -2.2162 -2.2162 -2.2073 -2.2073 -0.2490 -0.2490 -0.1372 -0.1372 0.4429 0.4429 0.5500 0.5500 0.7906 0.7906 0.8726 0.8726 0.9459 0.9459 1.0039 1.0039 1.0537 1.0537 1.2002 1.2002 1.3280 1.3280 1.4051 1.4051 1.8702 1.8702 2.0412 2.0412 2.0421 2.0421 2.1120 2.1120 2.2623 2.2623 2.3646 2.3646 4.7069 4.7069 4.7833 4.7833 4.8128 4.8128 4.8672 4.8672 4.8913 4.8913 5.0056 5.0056 5.5856 5.5856 5.7058 5.7058 5.7456 5.7456 5.8436 5.8436 9.8845 9.8845 10.1144 10.1144 10.2441 10.2441 10.3338 10.3338 k = 0.5000 0.2887 0.4888 ( 22388 PWs) bands (ev): -14.8800 -14.8800 -14.8767 -14.8767 -10.5860 -10.5860 -10.4356 -10.4356 -10.2675 -10.2675 -10.2258 -10.2258 -10.1991 -10.1991 -10.1469 -10.1469 -3.6774 -3.6774 -3.6659 -3.6659 -2.3323 -2.3323 -2.3095 -2.3095 -2.2170 -2.2170 -2.2061 -2.2061 -0.2645 -0.2645 -0.1274 -0.1274 0.4369 0.4369 0.5679 0.5679 0.7843 0.7843 0.8832 0.8832 0.9062 0.9062 0.9950 0.9950 1.0585 1.0585 1.1841 1.1841 1.3448 1.3448 1.4643 1.4643 1.8405 1.8405 2.0280 2.0280 2.0511 2.0511 2.1010 2.1010 2.2624 2.2624 2.3745 2.3745 4.6762 4.6762 4.7823 4.7823 4.8146 4.8146 4.8630 4.8630 4.8971 4.8971 5.0341 5.0341 5.5732 5.5732 5.7200 5.7200 5.7344 5.7344 5.8569 5.8569 9.8519 9.8519 10.1116 10.1116 10.2398 10.2398 10.3577 10.3577 k = 0.5000 0.2887 0.4665 ( 22396 PWs) bands (ev): -14.8804 -14.8804 -14.8765 -14.8765 -10.6002 -10.6002 -10.4211 -10.4211 -10.2707 -10.2707 -10.2212 -10.2212 -10.2041 -10.2041 -10.1419 -10.1419 -3.6784 -3.6784 -3.6647 -3.6647 -2.3340 -2.3340 -2.3067 -2.3067 -2.2176 -2.2176 -2.2050 -2.2050 -0.2798 -0.2798 -0.1193 -0.1193 0.4326 0.4326 0.5847 0.5847 0.7788 0.7788 0.8600 0.8600 0.9052 0.9052 0.9869 0.9869 1.0635 1.0635 1.1683 1.1683 1.3606 1.3606 1.5241 1.5241 1.8097 1.8097 2.0140 2.0140 2.0555 2.0555 2.0862 2.0862 2.2677 2.2677 2.3825 2.3825 4.6445 4.6445 4.7814 4.7814 4.8170 4.8170 4.8585 4.8585 4.9031 4.9031 5.0627 5.0627 5.5620 5.5620 5.7227 5.7227 5.7342 5.7342 5.8705 5.8705 9.8216 9.8216 10.0991 10.0991 10.2356 10.2356 10.3853 10.3853 k = 0.5000 0.2887 0.4443 ( 22380 PWs) bands (ev): -14.8808 -14.8808 -14.8764 -14.8764 -10.6140 -10.6140 -10.4069 -10.4069 -10.2735 -10.2735 -10.2166 -10.2166 -10.2091 -10.2091 -10.1370 -10.1370 -3.6794 -3.6794 -3.6635 -3.6635 -2.3356 -2.3356 -2.3038 -2.3038 -2.2182 -2.2182 -2.2040 -2.2040 -0.2947 -0.2947 -0.1131 -0.1131 0.4299 0.4299 0.5984 0.5984 0.7739 0.7739 0.8286 0.8286 0.9200 0.9200 0.9790 0.9790 1.0688 1.0688 1.1528 1.1528 1.3755 1.3755 1.5838 1.5838 1.7778 1.7778 2.0002 2.0002 2.0461 2.0461 2.0776 2.0776 2.2766 2.2766 2.3886 2.3886 4.6121 4.6121 4.7806 4.7806 4.8198 4.8198 4.8540 4.8540 4.9090 4.9090 5.0913 5.0913 5.5523 5.5523 5.7120 5.7120 5.7465 5.7465 5.8842 5.8842 9.7942 9.7942 10.0798 10.0798 10.2310 10.2310 10.4162 10.4162 k = 0.5000 0.2887 0.4221 ( 22362 PWs) bands (ev): -14.8812 -14.8812 -14.8762 -14.8762 -10.6275 -10.6275 -10.3934 -10.3934 -10.2760 -10.2760 -10.2140 -10.2140 -10.2119 -10.2119 -10.1323 -10.1323 -3.6803 -3.6803 -3.6624 -3.6624 -2.3371 -2.3371 -2.3009 -2.3009 -2.2186 -2.2186 -2.2030 -2.2030 -0.3093 -0.3093 -0.1088 -0.1088 0.4289 0.4289 0.6062 0.6062 0.7695 0.7695 0.8068 0.8068 0.9361 0.9361 0.9716 0.9716 1.0745 1.0745 1.1378 1.1378 1.3896 1.3896 1.6427 1.6427 1.7453 1.7453 1.9867 1.9867 2.0234 2.0234 2.0763 2.0763 2.2878 2.2878 2.3928 2.3928 4.5795 4.5795 4.7799 4.7799 4.8228 4.8228 4.8497 4.8497 4.9147 4.9147 5.1195 5.1195 5.5441 5.5441 5.7013 5.7013 5.7579 5.7579 5.8982 5.8982 9.7700 9.7700 10.0561 10.0561 10.2257 10.2257 10.4464 10.4464 k = 0.5000 0.2887 0.3999 ( 22356 PWs) bands (ev): -14.8817 -14.8817 -14.8761 -14.8761 -10.6405 -10.6405 -10.3804 -10.3804 -10.2779 -10.2779 -10.2187 -10.2187 -10.2074 -10.2074 -10.1277 -10.1277 -3.6812 -3.6812 -3.6612 -3.6612 -2.3385 -2.3385 -2.2979 -2.2979 -2.2188 -2.2188 -2.2022 -2.2022 -0.3234 -0.3234 -0.1066 -0.1066 0.4294 0.4294 0.6050 0.6050 0.7660 0.7660 0.7977 0.7977 0.9520 0.9520 0.9656 0.9656 1.0806 1.0806 1.1232 1.1232 1.4027 1.4027 1.6940 1.6940 1.7191 1.7191 1.9730 1.9730 1.9963 1.9963 2.0750 2.0750 2.3001 2.3001 2.3953 2.3953 4.5468 4.5468 4.7792 4.7792 4.8258 4.8258 4.8455 4.8455 4.9203 4.9203 5.1471 5.1471 5.5374 5.5374 5.6908 5.6908 5.7682 5.7682 5.9123 5.9123 9.7491 9.7491 10.0300 10.0300 10.2195 10.2195 10.4585 10.4585 k = 0.5000 0.2887 0.3777 ( 22366 PWs) bands (ev): -14.8821 -14.8821 -14.8760 -14.8760 -10.6530 -10.6530 -10.3684 -10.3684 -10.2792 -10.2792 -10.2232 -10.2232 -10.2030 -10.2030 -10.1232 -10.1232 -3.6820 -3.6820 -3.6601 -3.6601 -2.3398 -2.3398 -2.2949 -2.2949 -2.2189 -2.2189 -2.2014 -2.2014 -0.3368 -0.3368 -0.1067 -0.1067 0.4314 0.4314 0.5945 0.5945 0.7643 0.7643 0.8006 0.8006 0.9552 0.9552 0.9734 0.9734 1.0873 1.0873 1.1092 1.1092 1.4147 1.4147 1.6738 1.6738 1.7626 1.7626 1.9562 1.9562 1.9706 1.9706 2.0716 2.0716 2.3131 2.3131 2.3962 2.3962 4.5142 4.5142 4.7786 4.7786 4.8288 4.8288 4.8416 4.8416 4.9256 4.9256 5.1740 5.1740 5.5324 5.5324 5.6806 5.6806 5.7773 5.7773 5.9264 5.9264 9.7319 9.7319 10.0026 10.0026 10.2121 10.2121 10.4335 10.4335 k = 0.5000 0.2887 0.3555 ( 22366 PWs) bands (ev): -14.8825 -14.8825 -14.8759 -14.8759 -10.6650 -10.6650 -10.3575 -10.3575 -10.2797 -10.2797 -10.2276 -10.2276 -10.1986 -10.1986 -10.1190 -10.1190 -3.6828 -3.6828 -3.6590 -3.6590 -2.3410 -2.3410 -2.2919 -2.2919 -2.2190 -2.2190 -2.2006 -2.2006 -0.3497 -0.3497 -0.1090 -0.1090 0.4347 0.4347 0.5777 0.5777 0.7642 0.7642 0.8125 0.8125 0.9498 0.9498 0.9908 0.9908 1.0936 1.0936 1.0976 1.0976 1.4256 1.4256 1.6395 1.6395 1.8182 1.8182 1.9300 1.9300 1.9540 1.9540 2.0656 2.0656 2.3263 2.3263 2.3957 2.3957 4.4818 4.4818 4.7781 4.7781 4.8313 4.8313 4.8382 4.8382 4.9307 4.9307 5.2001 5.2001 5.5290 5.5290 5.6707 5.6707 5.7851 5.7851 5.9406 5.9406 9.7185 9.7185 9.9750 9.9750 10.2033 10.2033 10.4039 10.4039 k = 0.5000 0.2887 0.3332 ( 22360 PWs) bands (ev): -14.8830 -14.8830 -14.8758 -14.8758 -10.6764 -10.6764 -10.3480 -10.3480 -10.2791 -10.2791 -10.2318 -10.2318 -10.1944 -10.1944 -10.1149 -10.1149 -3.6835 -3.6835 -3.6580 -3.6580 -2.3421 -2.3421 -2.2888 -2.2888 -2.2189 -2.2189 -2.2000 -2.2000 -0.3618 -0.3618 -0.1135 -0.1135 0.4391 0.4391 0.5583 0.5583 0.7650 0.7650 0.8299 0.8299 0.9447 0.9447 1.0087 1.0087 1.0835 1.0835 1.1049 1.1049 1.4352 1.4352 1.6044 1.6044 1.8714 1.8714 1.9006 1.9006 1.9418 1.9418 2.0572 2.0572 2.3395 2.3395 2.3940 2.3940 4.4497 4.4497 4.7776 4.7776 4.8315 4.8315 4.8371 4.8371 4.9356 4.9356 5.2253 5.2253 5.5271 5.5271 5.6611 5.6611 5.7916 5.7916 5.9547 5.9547 9.7090 9.7090 9.9476 9.9476 10.1931 10.1931 10.3718 10.3718 k = 0.5000 0.2887 0.3110 ( 22358 PWs) bands (ev): -14.8834 -14.8834 -14.8757 -14.8757 -10.6873 -10.6873 -10.3401 -10.3401 -10.2771 -10.2771 -10.2358 -10.2358 -10.1903 -10.1903 -10.1110 -10.1110 -3.6842 -3.6842 -3.6569 -3.6569 -2.3432 -2.3432 -2.2858 -2.2858 -2.2188 -2.2188 -2.1994 -2.1994 -0.3732 -0.3732 -0.1200 -0.1200 0.4446 0.4446 0.5388 0.5388 0.7666 0.7666 0.8496 0.8496 0.9407 0.9407 1.0249 1.0249 1.0745 1.0745 1.1161 1.1161 1.4433 1.4433 1.5690 1.5690 1.8668 1.8668 1.9243 1.9243 1.9322 1.9322 2.0472 2.0472 2.3521 2.3521 2.3916 2.3916 4.4183 4.4183 4.7771 4.7771 4.8286 4.8286 4.8391 4.8391 4.9403 4.9403 5.2494 5.2494 5.5267 5.5267 5.6519 5.6519 5.7970 5.7970 5.9686 5.9686 9.7034 9.7034 9.9211 9.9211 10.1816 10.1816 10.3377 10.3377 k = 0.5000 0.2887 0.2888 ( 22358 PWs) bands (ev): -14.8838 -14.8838 -14.8757 -14.8757 -10.6975 -10.6975 -10.3342 -10.3342 -10.2737 -10.2737 -10.2396 -10.2396 -10.1864 -10.1864 -10.1073 -10.1073 -3.6849 -3.6849 -3.6560 -3.6560 -2.3441 -2.3441 -2.2828 -2.2828 -2.2186 -2.2186 -2.1989 -2.1989 -0.3839 -0.3839 -0.1284 -0.1284 0.4509 0.4509 0.5205 0.5205 0.7690 0.7690 0.8690 0.8690 0.9386 0.9386 1.0335 1.0335 1.0739 1.0739 1.1297 1.1297 1.4498 1.4498 1.5335 1.5335 1.8361 1.8361 1.9206 1.9206 1.9706 1.9706 2.0391 2.0391 2.3637 2.3637 2.3891 2.3891 4.3875 4.3875 4.7766 4.7766 4.8251 4.8251 4.8416 4.8416 4.9446 4.9446 5.2723 5.2723 5.5276 5.5276 5.6431 5.6431 5.8012 5.8012 5.9823 5.9823 9.7018 9.7018 9.8958 9.8958 10.1688 10.1688 10.3023 10.3023 k = 0.5000 0.2887 0.2666 ( 22356 PWs) bands (ev): -14.8842 -14.8842 -14.8756 -14.8756 -10.7071 -10.7071 -10.3301 -10.3301 -10.2690 -10.2690 -10.2432 -10.2432 -10.1826 -10.1826 -10.1039 -10.1039 -3.6855 -3.6855 -3.6551 -3.6551 -2.3450 -2.3450 -2.2799 -2.2799 -2.2184 -2.2184 -2.1985 -2.1985 -0.3937 -0.3937 -0.1383 -0.1383 0.4578 0.4578 0.5041 0.5041 0.7722 0.7722 0.8861 0.8861 0.9392 0.9392 1.0300 1.0300 1.0862 1.0862 1.1461 1.1461 1.4545 1.4545 1.4983 1.4983 1.8057 1.8057 1.9114 1.9114 1.9910 1.9910 2.0506 2.0506 2.3721 2.3721 2.3888 2.3888 4.3575 4.3575 4.7761 4.7761 4.8216 4.8216 4.8442 4.8442 4.9487 4.9487 5.2939 5.2939 5.5296 5.5296 5.6349 5.6349 5.8043 5.8043 5.9956 5.9956 9.7039 9.7039 9.8721 9.8721 10.1550 10.1550 10.2659 10.2659 k = 0.5000 0.2887 0.2444 ( 22356 PWs) bands (ev): -14.8846 -14.8846 -14.8756 -14.8756 -10.7160 -10.7160 -10.3276 -10.3276 -10.2632 -10.2632 -10.2465 -10.2465 -10.1791 -10.1791 -10.1007 -10.1007 -3.6860 -3.6860 -3.6542 -3.6542 -2.3458 -2.3458 -2.2770 -2.2770 -2.2182 -2.2182 -2.1980 -2.1980 -0.4028 -0.4028 -0.1493 -0.1493 0.4651 0.4651 0.4898 0.4898 0.7762 0.7762 0.8986 0.8986 0.9437 0.9437 1.0211 1.0211 1.1048 1.1048 1.1659 1.1659 1.4543 1.4543 1.4664 1.4664 1.7764 1.7764 1.9029 1.9029 1.9808 1.9808 2.0878 2.0878 2.3734 2.3734 2.3948 2.3948 4.3287 4.3287 4.7755 4.7755 4.8181 4.8181 4.8466 4.8466 4.9525 4.9525 5.3142 5.3142 5.5325 5.5325 5.6272 5.6272 5.8065 5.8065 6.0085 6.0085 9.7097 9.7097 9.8502 9.8502 10.1403 10.1403 10.2290 10.2290 k = 0.5000 0.2887 0.2222 ( 22360 PWs) bands (ev): -14.8849 -14.8849 -14.8756 -14.8756 -10.7243 -10.7243 -10.3262 -10.3262 -10.2568 -10.2568 -10.2496 -10.2496 -10.1758 -10.1758 -10.0977 -10.0977 -3.6865 -3.6865 -3.6535 -3.6535 -2.3465 -2.3465 -2.2743 -2.2743 -2.2180 -2.2180 -2.1976 -2.1976 -0.4111 -0.4111 -0.1611 -0.1611 0.4711 0.4711 0.4789 0.4789 0.7811 0.7811 0.9064 0.9064 0.9517 0.9517 1.0110 1.0110 1.1253 1.1253 1.1890 1.1890 1.4264 1.4264 1.4610 1.4610 1.7483 1.7483 1.8949 1.8949 1.9613 1.9613 2.1291 2.1291 2.3708 2.3708 2.4041 2.4041 4.3011 4.3011 4.7749 4.7749 4.8148 4.8148 4.8489 4.8489 4.9560 4.9560 5.3331 5.3331 5.5361 5.5361 5.6201 5.6201 5.8078 5.8078 6.0208 6.0208 9.7188 9.7188 9.8303 9.8303 10.1252 10.1252 10.1921 10.1921 k = 0.5000 0.2887 0.1999 ( 22374 PWs) bands (ev): -14.8853 -14.8853 -14.8756 -14.8756 -10.7318 -10.7318 -10.3255 -10.3255 -10.2526 -10.2526 -10.2502 -10.2502 -10.1728 -10.1728 -10.0950 -10.0950 -3.6869 -3.6869 -3.6527 -3.6527 -2.3472 -2.3472 -2.2716 -2.2716 -2.2178 -2.2178 -2.1973 -2.1973 -0.4185 -0.4185 -0.1731 -0.1731 0.4652 0.4652 0.4818 0.4818 0.7868 0.7868 0.9116 0.9116 0.9605 0.9605 1.0015 1.0015 1.1466 1.1466 1.2153 1.2153 1.3927 1.3927 1.4601 1.4601 1.7220 1.7220 1.8876 1.8876 1.9383 1.9383 2.1684 2.1684 2.3676 2.3676 2.4137 2.4137 4.2750 4.2750 4.7743 4.7743 4.8116 4.8116 4.8510 4.8510 4.9591 4.9591 5.3505 5.3505 5.5402 5.5402 5.6138 5.6138 5.8085 5.8085 6.0323 6.0323 9.7308 9.7308 9.8128 9.8128 10.1099 10.1099 10.1557 10.1557 k = 0.5000 0.2887 0.1777 ( 22364 PWs) bands (ev): -14.8856 -14.8856 -14.8756 -14.8756 -10.7385 -10.7385 -10.3253 -10.3253 -10.2550 -10.2550 -10.2439 -10.2439 -10.1700 -10.1700 -10.0925 -10.0925 -3.6873 -3.6873 -3.6521 -3.6521 -2.3477 -2.3477 -2.2692 -2.2692 -2.2177 -2.2177 -2.1969 -2.1969 -0.4252 -0.4252 -0.1851 -0.1851 0.4566 0.4566 0.4890 0.4890 0.7931 0.7931 0.9160 0.9160 0.9664 0.9664 0.9948 0.9948 1.1681 1.1681 1.2443 1.2443 1.3595 1.3595 1.4577 1.4577 1.6976 1.6976 1.8807 1.8807 1.9133 1.9133 2.2040 2.2040 2.3652 2.3652 2.4227 2.4227 4.2506 4.2506 4.7736 4.7736 4.8087 4.8087 4.8528 4.8528 4.9620 4.9620 5.3662 5.3662 5.5444 5.5444 5.6082 5.6082 5.8086 5.8086 6.0431 6.0431 9.7452 9.7452 9.7978 9.7978 10.0949 10.0949 10.1203 10.1203 k = 0.5000 0.2887 0.1555 ( 22360 PWs) bands (ev): -14.8858 -14.8858 -14.8756 -14.8756 -10.7446 -10.7446 -10.3254 -10.3254 -10.2573 -10.2573 -10.2380 -10.2380 -10.1675 -10.1675 -10.0904 -10.0904 -3.6877 -3.6877 -3.6515 -3.6515 -2.3482 -2.3482 -2.2669 -2.2669 -2.2176 -2.2176 -2.1966 -2.1966 -0.4310 -0.4310 -0.1966 -0.1966 0.4492 0.4492 0.4960 0.4960 0.8001 0.8001 0.9208 0.9208 0.9650 0.9650 0.9946 0.9946 1.1894 1.1894 1.2752 1.2752 1.3275 1.3275 1.4536 1.4536 1.6754 1.6754 1.8727 1.8727 1.8884 1.8884 2.2349 2.2349 2.3644 2.3644 2.4310 2.4310 4.2282 4.2282 4.7730 4.7730 4.8060 4.8060 4.8545 4.8545 4.9645 4.9645 5.3803 5.3803 5.5484 5.5484 5.6035 5.6035 5.8083 5.8083 6.0529 6.0529 9.7612 9.7612 9.7854 9.7854 10.0801 10.0801 10.0870 10.0870 k = 0.5000 0.2887 0.1333 ( 22364 PWs) bands (ev): -14.8861 -14.8861 -14.8756 -14.8756 -10.7498 -10.7498 -10.3256 -10.3256 -10.2593 -10.2593 -10.2326 -10.2326 -10.1653 -10.1653 -10.0885 -10.0885 -3.6880 -3.6880 -3.6510 -3.6510 -2.3487 -2.3487 -2.2648 -2.2648 -2.2175 -2.2175 -2.1963 -2.1963 -0.4361 -0.4361 -0.2073 -0.2073 0.4431 0.4431 0.5025 0.5025 0.8076 0.8076 0.9262 0.9262 0.9578 0.9578 0.9997 0.9997 1.2104 1.2104 1.2964 1.2964 1.3079 1.3079 1.4479 1.4479 1.6556 1.6556 1.8539 1.8539 1.8740 1.8740 2.2599 2.2599 2.3661 2.3661 2.4383 2.4383 4.2081 4.2081 4.7724 4.7724 4.8036 4.8036 4.8560 4.8560 4.9667 4.9667 5.3926 5.3926 5.5520 5.5520 5.5998 5.5998 5.8077 5.8077 6.0617 6.0617 9.7740 9.7740 9.7797 9.7797 10.0542 10.0542 10.0679 10.0679 k = 0.5000 0.2887 0.1111 ( 22362 PWs) bands (ev): -14.8863 -14.8863 -14.8756 -14.8756 -10.7543 -10.7543 -10.3259 -10.3259 -10.2610 -10.2610 -10.2280 -10.2280 -10.1635 -10.1635 -10.0868 -10.0868 -3.6882 -3.6882 -3.6506 -3.6506 -2.3490 -2.3490 -2.2630 -2.2630 -2.2175 -2.2175 -2.1961 -2.1961 -0.4403 -0.4403 -0.2168 -0.2168 0.4382 0.4382 0.5083 0.5083 0.8154 0.8154 0.9318 0.9318 0.9491 0.9491 1.0061 1.0061 1.2303 1.2303 1.2684 1.2684 1.3397 1.3397 1.4408 1.4408 1.6386 1.6386 1.8267 1.8267 1.8684 1.8684 2.2780 2.2780 2.3710 2.3710 2.4446 2.4446 4.1905 4.1905 4.7718 4.7718 4.8015 4.8015 4.8572 4.8572 4.9686 4.9686 5.4031 5.4031 5.5550 5.5550 5.5972 5.5972 5.8070 5.8070 6.0693 6.0693 9.7676 9.7676 9.7958 9.7958 10.0255 10.0255 10.0558 10.0558 k = 0.5000 0.2887 0.0889 ( 22376 PWs) bands (ev): -14.8865 -14.8865 -14.8756 -14.8756 -10.7579 -10.7579 -10.3262 -10.3262 -10.2624 -10.2624 -10.2240 -10.2240 -10.1619 -10.1619 -10.0855 -10.0855 -3.6884 -3.6884 -3.6502 -3.6502 -2.3493 -2.3493 -2.2615 -2.2615 -2.2174 -2.2174 -2.1959 -2.1959 -0.4438 -0.4438 -0.2249 -0.2249 0.4343 0.4343 0.5131 0.5131 0.8232 0.8232 0.9348 0.9348 0.9431 0.9431 1.0127 1.0127 1.2396 1.2396 1.2520 1.2520 1.3709 1.3709 1.4326 1.4326 1.6245 1.6245 1.7992 1.7992 1.8646 1.8646 2.2895 2.2895 2.3789 2.3789 2.4498 2.4498 4.1757 4.1757 4.7713 4.7713 4.7998 4.7998 4.8582 4.8582 4.9701 4.9701 5.4118 5.4118 5.5571 5.5571 5.5955 5.5955 5.8062 5.8062 6.0757 6.0757 9.7625 9.7625 9.8119 9.8119 10.0003 10.0003 10.0456 10.0456 k = 0.5000 0.2887 0.0666 ( 22398 PWs) bands (ev): -14.8866 -14.8866 -14.8756 -14.8756 -10.7608 -10.7608 -10.3265 -10.3265 -10.2635 -10.2635 -10.2209 -10.2209 -10.1607 -10.1607 -10.0845 -10.0845 -3.6886 -3.6886 -3.6500 -3.6500 -2.3495 -2.3495 -2.2603 -2.2603 -2.2174 -2.2174 -2.1957 -2.1957 -0.4465 -0.4465 -0.2315 -0.2315 0.4314 0.4314 0.5170 0.5170 0.8307 0.8307 0.9287 0.9287 0.9463 0.9463 1.0191 1.0191 1.2185 1.2185 1.2676 1.2676 1.3993 1.3993 1.4239 1.4239 1.6134 1.6134 1.7734 1.7734 1.8617 1.8617 2.2957 2.2957 2.3879 2.3879 2.4539 2.4539 4.1639 4.1639 4.7709 4.7709 4.7984 4.7984 4.8590 4.8590 4.9713 4.9713 5.4186 5.4186 5.5586 5.5586 5.5946 5.5946 5.8055 5.8055 6.0807 6.0807 9.7592 9.7592 9.8260 9.8260 9.9795 9.9795 10.0374 10.0374 k = 0.5000 0.2887 0.0444 ( 22396 PWs) bands (ev): -14.8867 -14.8867 -14.8756 -14.8756 -10.7629 -10.7629 -10.3267 -10.3267 -10.2643 -10.2643 -10.2187 -10.2187 -10.1598 -10.1598 -10.0837 -10.0837 -3.6887 -3.6887 -3.6498 -3.6498 -2.3497 -2.3497 -2.2594 -2.2594 -2.2174 -2.2174 -2.1956 -2.1956 -0.4484 -0.4484 -0.2363 -0.2363 0.4293 0.4293 0.5198 0.5198 0.8372 0.8372 0.9216 0.9216 0.9508 0.9508 1.0247 1.0247 1.2005 1.2005 1.2817 1.2817 1.4158 1.4158 1.4230 1.4230 1.6056 1.6056 1.7515 1.7515 1.8597 1.8597 2.2989 2.2989 2.3958 2.3958 2.4568 2.4568 4.1554 4.1554 4.7706 4.7706 4.7974 4.7974 4.8595 4.8595 4.9721 4.9721 5.4234 5.4234 5.5593 5.5593 5.5943 5.5943 5.8049 5.8049 6.0843 6.0843 9.7575 9.7575 9.8370 9.8370 9.9637 9.9637 10.0313 10.0313 k = 0.5000 0.2887 0.0222 ( 22388 PWs) bands (ev): -14.8868 -14.8868 -14.8756 -14.8756 -10.7641 -10.7641 -10.3268 -10.3268 -10.2648 -10.2648 -10.2173 -10.2173 -10.1593 -10.1593 -10.0833 -10.0833 -3.6888 -3.6888 -3.6496 -3.6496 -2.3498 -2.3498 -2.2589 -2.2589 -2.2174 -2.2174 -2.1956 -2.1956 -0.4496 -0.4496 -0.2392 -0.2392 0.4281 0.4281 0.5215 0.5215 0.8419 0.8419 0.9165 0.9165 0.9539 0.9539 1.0289 1.0289 1.1886 1.1886 1.2914 1.2914 1.4097 1.4097 1.4391 1.4391 1.6010 1.6010 1.7364 1.7364 1.8585 1.8585 2.3002 2.3002 2.4011 2.4011 2.4585 2.4586 4.1502 4.1502 4.7704 4.7704 4.7968 4.7968 4.8599 4.8599 4.9726 4.9726 5.4264 5.4264 5.5597 5.5597 5.5942 5.5942 5.8046 5.8046 6.0865 6.0865 9.7568 9.7568 9.8440 9.8440 9.9539 9.9539 10.0277 10.0277 k = 0.5000 0.2887-0.0000 ( 22370 PWs) bands (ev): -14.8868 -14.8868 -14.8756 -14.8756 -10.7645 -10.7645 -10.3268 -10.3268 -10.2649 -10.2649 -10.2169 -10.2169 -10.1591 -10.1591 -10.0831 -10.0831 -3.6888 -3.6888 -3.6496 -3.6496 -2.3498 -2.3498 -2.2587 -2.2587 -2.2174 -2.2174 -2.1955 -2.1955 -0.4500 -0.4500 -0.2402 -0.2402 0.4277 0.4277 0.5220 0.5220 0.8436 0.8436 0.9146 0.9146 0.9550 0.9550 1.0305 1.0305 1.1844 1.1844 1.2950 1.2950 1.4074 1.4074 1.4449 1.4449 1.5995 1.5995 1.7309 1.7309 1.8581 1.8581 2.3006 2.3006 2.4030 2.4030 2.4591 2.4591 4.1484 4.1484 4.7703 4.7703 4.7966 4.7966 4.8600 4.8600 4.9728 4.9728 5.4273 5.4273 5.5598 5.5598 5.5942 5.5942 5.8044 5.8044 6.0873 6.0873 9.7566 9.7566 9.8464 9.8464 9.9505 9.9505 10.0264 10.0264 k = 0.3333 0.5774-0.0000 ( 22404 PWs) bands (ev): -14.8809 -14.8809 -14.8809 -14.8809 -10.7607 -10.7607 -10.3075 -10.3075 -10.3067 -10.3067 -10.2161 -10.2161 -10.1156 -10.1156 -10.1154 -10.1154 -3.6625 -3.6625 -3.6616 -3.6616 -2.2960 -2.2960 -2.2793 -2.2793 -2.2057 -2.2057 -2.1896 -2.1896 -0.3731 -0.3731 -0.2694 -0.2694 0.5439 0.5439 0.5648 0.5648 0.5899 0.5899 0.9138 0.9138 0.9179 0.9179 1.0838 1.0838 1.1106 1.1106 1.4261 1.4261 1.4343 1.4343 1.4377 1.4377 1.4557 1.4557 1.7811 1.7811 1.9916 1.9916 2.0397 2.0397 2.3797 2.3797 2.4282 2.4282 4.1626 4.1626 4.7710 4.7710 4.7977 4.7977 4.8866 4.8866 4.9583 4.9583 5.4270 5.4270 5.5634 5.5634 5.5966 5.5966 5.9206 5.9206 5.9336 5.9336 9.4745 9.4745 10.2231 10.2231 10.4874 10.4874 10.5002 10.5002 k = 0.3333 0.5774 0.0222 ( 22401 PWs) bands (ev): -14.8809 -14.8809 -14.8809 -14.8809 -10.7602 -10.7602 -10.3074 -10.3074 -10.3066 -10.3066 -10.2166 -10.2166 -10.1157 -10.1157 -10.1156 -10.1156 -3.6624 -3.6624 -3.6616 -3.6616 -2.2960 -2.2960 -2.2793 -2.2793 -2.2058 -2.2058 -2.1897 -2.1897 -0.3729 -0.3729 -0.2679 -0.2679 0.5435 0.5435 0.5645 0.5645 0.5895 0.5895 0.9128 0.9128 0.9168 0.9168 1.0843 1.0843 1.1116 1.1116 1.4257 1.4257 1.4326 1.4326 1.4379 1.4379 1.4575 1.4575 1.7815 1.7815 1.9933 1.9933 2.0414 2.0414 2.3772 2.3772 2.4276 2.4276 4.1644 4.1644 4.7711 4.7711 4.7979 4.7979 4.8864 4.8864 4.9581 4.9581 5.4260 5.4260 5.5632 5.5632 5.5963 5.5963 5.9205 5.9205 5.9335 5.9335 9.4774 9.4774 10.2206 10.2206 10.4854 10.4854 10.4981 10.4981 k = 0.3333 0.5774 0.0444 ( 22398 PWs) bands (ev): -14.8808 -14.8808 -14.8808 -14.8808 -10.7590 -10.7590 -10.3071 -10.3071 -10.3063 -10.3063 -10.2181 -10.2181 -10.1161 -10.1161 -10.1160 -10.1160 -3.6624 -3.6624 -3.6617 -3.6617 -2.2959 -2.2959 -2.2793 -2.2793 -2.2063 -2.2063 -2.1899 -2.1899 -0.3720 -0.3720 -0.2637 -0.2637 0.5422 0.5422 0.5635 0.5635 0.5883 0.5883 0.9101 0.9101 0.9137 0.9137 1.0857 1.0857 1.1142 1.1142 1.4239 1.4239 1.4280 1.4280 1.4391 1.4391 1.4623 1.4623 1.7827 1.7827 1.9982 1.9982 2.0465 2.0465 2.3698 2.3698 2.4257 2.4257 4.1696 4.1696 4.7712 4.7712 4.7985 4.7985 4.8859 4.8859 4.9577 4.9577 5.4231 5.4231 5.5626 5.5626 5.5954 5.5954 5.9203 5.9203 5.9333 5.9333 9.4861 9.4861 10.2130 10.2130 10.4795 10.4795 10.4921 10.4921 k = 0.3333 0.5774 0.0666 ( 22395 PWs) bands (ev): -14.8808 -14.8808 -14.8808 -14.8808 -10.7569 -10.7569 -10.3066 -10.3066 -10.3058 -10.3058 -10.2206 -10.2206 -10.1168 -10.1168 -10.1167 -10.1167 -3.6623 -3.6623 -3.6618 -3.6618 -2.2957 -2.2957 -2.2791 -2.2791 -2.2070 -2.2070 -2.1904 -2.1904 -0.3705 -0.3705 -0.2566 -0.2566 0.5401 0.5401 0.5620 0.5620 0.5863 0.5863 0.9060 0.9060 0.9091 0.9091 1.0872 1.0872 1.1176 1.1176 1.4203 1.4203 1.4216 1.4216 1.4424 1.4424 1.4697 1.4697 1.7847 1.7847 2.0061 2.0061 2.0547 2.0547 2.3577 2.3577 2.4225 2.4225 4.1782 4.1782 4.7715 4.7715 4.7995 4.7995 4.8852 4.8852 4.9569 4.9569 5.4183 5.4183 5.5617 5.5617 5.5940 5.5940 5.9197 5.9197 5.9327 5.9327 9.5005 9.5005 10.2008 10.2008 10.4706 10.4706 10.4829 10.4829 k = 0.3333 0.5774 0.0889 ( 22386 PWs) bands (ev): -14.8807 -14.8807 -14.8807 -14.8807 -10.7539 -10.7539 -10.3060 -10.3060 -10.3052 -10.3052 -10.2241 -10.2241 -10.1178 -10.1178 -10.1176 -10.1176 -3.6623 -3.6623 -3.6619 -3.6619 -2.2954 -2.2954 -2.2790 -2.2790 -2.2080 -2.2080 -2.1910 -2.1910 -0.3684 -0.3684 -0.2470 -0.2470 0.5372 0.5372 0.5600 0.5600 0.5836 0.5836 0.9009 0.9009 0.9037 0.9037 1.0883 1.0883 1.1206 1.1206 1.4139 1.4139 1.4153 1.4153 1.4483 1.4483 1.4795 1.4795 1.7876 1.7876 2.0165 2.0165 2.0656 2.0656 2.3411 2.3411 2.4181 2.4181 4.1901 4.1901 4.7719 4.7719 4.8008 4.8008 4.8841 4.8841 4.9558 4.9558 5.4116 5.4116 5.5605 5.5605 5.5922 5.5922 5.9189 5.9189 5.9319 5.9319 9.5207 9.5207 10.1845 10.1845 10.4596 10.4596 10.4715 10.4715 k = 0.3333 0.5774 0.1111 ( 22386 PWs) bands (ev): -14.8806 -14.8806 -14.8806 -14.8806 -10.7502 -10.7502 -10.3051 -10.3051 -10.3044 -10.3044 -10.2286 -10.2286 -10.1190 -10.1190 -10.1188 -10.1188 -3.6622 -3.6622 -3.6621 -3.6621 -2.2951 -2.2951 -2.2788 -2.2788 -2.2092 -2.2092 -2.1917 -2.1917 -0.3658 -0.3658 -0.2349 -0.2349 0.5337 0.5337 0.5577 0.5577 0.5804 0.5804 0.8952 0.8952 0.8979 0.8979 1.0883 1.0883 1.1222 1.1222 1.4055 1.4055 1.4095 1.4095 1.4571 1.4571 1.4920 1.4920 1.7913 1.7913 2.0287 2.0287 2.0786 2.0786 2.3202 2.3202 2.4124 2.4124 4.2050 4.2050 4.7724 4.7724 4.8024 4.8024 4.8827 4.8827 4.9545 4.9545 5.4031 5.4031 5.5591 5.5591 5.5900 5.5900 5.9177 5.9177 5.9307 5.9307 9.5465 9.5465 10.1645 10.1645 10.4476 10.4476 10.4591 10.4591 k = 0.3333 0.5774 0.1333 ( 22401 PWs) bands (ev): -14.8805 -14.8805 -14.8805 -14.8805 -10.7456 -10.7456 -10.3041 -10.3041 -10.3034 -10.3034 -10.2340 -10.2340 -10.1205 -10.1205 -10.1203 -10.1203 -3.6622 -3.6622 -3.6620 -3.6620 -2.2948 -2.2948 -2.2786 -2.2786 -2.2106 -2.2106 -2.1927 -2.1927 -0.3625 -0.3625 -0.2208 -0.2208 0.5295 0.5295 0.5553 0.5553 0.5767 0.5767 0.8893 0.8893 0.8921 0.8921 1.0865 1.0865 1.1215 1.1215 1.3968 1.3968 1.4034 1.4034 1.4691 1.4691 1.5073 1.5073 1.7958 1.7958 2.0421 2.0421 2.0933 2.0933 2.2953 2.2953 2.4055 2.4055 4.2227 4.2227 4.7729 4.7729 4.8044 4.8044 4.8810 4.8810 4.9528 4.9528 5.3927 5.3927 5.5578 5.5578 5.5877 5.5877 5.9159 5.9159 5.9290 5.9290 9.5779 9.5779 10.1418 10.1418 10.4355 10.4355 10.4466 10.4466 k = 0.3333 0.5774 0.1555 ( 22377 PWs) bands (ev): -14.8804 -14.8804 -14.8804 -14.8804 -10.7402 -10.7402 -10.3029 -10.3029 -10.3022 -10.3022 -10.2404 -10.2404 -10.1222 -10.1222 -10.1220 -10.1220 -3.6625 -3.6625 -3.6619 -3.6619 -2.2945 -2.2945 -2.2783 -2.2783 -2.2122 -2.2122 -2.1937 -2.1937 -0.3585 -0.3585 -0.2048 -0.2048 0.5249 0.5249 0.5528 0.5528 0.5728 0.5728 0.8832 0.8832 0.8866 0.8866 1.0828 1.0828 1.1180 1.1180 1.3880 1.3880 1.3973 1.3973 1.4845 1.4845 1.5254 1.5254 1.8011 1.8011 2.0559 2.0559 2.1090 2.1090 2.2670 2.2671 2.3974 2.3974 4.2429 4.2429 4.7735 4.7735 4.8067 4.8067 4.8790 4.8790 4.9508 4.9508 5.3806 5.3806 5.5567 5.5567 5.5854 5.5854 5.9136 5.9136 5.9267 5.9267 9.6147 9.6147 10.1171 10.1171 10.4241 10.4241 10.4348 10.4348 k = 0.3333 0.5774 0.1777 ( 22368 PWs) bands (ev): -14.8803 -14.8803 -14.8803 -14.8803 -10.7340 -10.7340 -10.3016 -10.3016 -10.3008 -10.3008 -10.2476 -10.2476 -10.1242 -10.1242 -10.1239 -10.1239 -3.6627 -3.6627 -3.6617 -3.6617 -2.2941 -2.2941 -2.2780 -2.2780 -2.2138 -2.2138 -2.1949 -2.1949 -0.3540 -0.3540 -0.1875 -0.1875 0.5199 0.5199 0.5502 0.5502 0.5693 0.5693 0.8768 0.8768 0.8814 0.8814 1.0774 1.0774 1.1120 1.1120 1.3796 1.3796 1.3914 1.3914 1.5033 1.5033 1.5463 1.5463 1.8072 1.8072 2.0691 2.0691 2.1253 2.1253 2.2362 2.2362 2.3881 2.3881 4.2654 4.2654 4.7741 4.7741 4.8092 4.8092 4.8767 4.8767 4.9485 4.9485 5.3668 5.3668 5.5559 5.5559 5.5833 5.5833 5.9105 5.9105 5.9238 5.9238 9.6568 9.6568 10.0913 10.0913 10.4142 10.4142 10.4244 10.4244 k = 0.3333 0.5774 0.1999 ( 22386 PWs) bands (ev): -14.8801 -14.8801 -14.8801 -14.8801 -10.7270 -10.7270 -10.3000 -10.3000 -10.2993 -10.2993 -10.2558 -10.2558 -10.1264 -10.1264 -10.1261 -10.1261 -3.6630 -3.6630 -3.6615 -3.6615 -2.2938 -2.2938 -2.2777 -2.2777 -2.2154 -2.2154 -2.1962 -2.1962 -0.3487 -0.3487 -0.1693 -0.1693 0.5147 0.5147 0.5475 0.5475 0.5669 0.5669 0.8701 0.8701 0.8763 0.8763 1.0706 1.0706 1.1037 1.1037 1.3715 1.3715 1.3856 1.3856 1.5252 1.5252 1.5697 1.5697 1.8140 1.8140 2.0797 2.0797 2.1417 2.1417 2.2045 2.2045 2.3778 2.3778 4.2900 4.2900 4.7747 4.7747 4.8120 4.8120 4.8742 4.8742 4.9460 4.9460 5.3513 5.3513 5.5556 5.5556 5.5815 5.5815 5.9066 5.9066 5.9200 5.9200 9.7041 9.7041 10.0653 10.0653 10.4061 10.4061 10.4161 10.4161 k = 0.3333 0.5774 0.2222 ( 22380 PWs) bands (ev): -14.8799 -14.8799 -14.8799 -14.8799 -10.7193 -10.7193 -10.2984 -10.2984 -10.2977 -10.2977 -10.2647 -10.2647 -10.1287 -10.1287 -10.1284 -10.1284 -3.6633 -3.6633 -3.6613 -3.6613 -2.2936 -2.2936 -2.2774 -2.2774 -2.2170 -2.2170 -2.1976 -2.1976 -0.3428 -0.3428 -0.1508 -0.1508 0.5096 0.5096 0.5441 0.5441 0.5668 0.5668 0.8625 0.8625 0.8710 0.8710 1.0632 1.0632 1.0942 1.0942 1.3639 1.3639 1.3800 1.3800 1.5498 1.5498 1.5953 1.5953 1.8214 1.8214 2.0833 2.0833 2.1578 2.1578 2.1763 2.1763 2.3665 2.3665 4.3163 4.3163 4.7754 4.7754 4.8150 4.8150 4.8714 4.8714 4.9431 4.9431 5.3342 5.3342 5.5559 5.5559 5.5802 5.5802 5.9019 5.9019 5.9154 5.9154 9.7564 9.7564 10.0399 10.0399 10.4004 10.4004 10.4101 10.4101 k = 0.3333 0.5774 0.2444 ( 22374 PWs) bands (ev): -14.8798 -14.8798 -14.8798 -14.8798 -10.7108 -10.7108 -10.2966 -10.2966 -10.2959 -10.2959 -10.2745 -10.2745 -10.1312 -10.1312 -10.1309 -10.1309 -3.6636 -3.6636 -3.6611 -3.6611 -2.2934 -2.2934 -2.2770 -2.2770 -2.2186 -2.2186 -2.1991 -2.1991 -0.3363 -0.3363 -0.1325 -0.1325 0.5046 0.5046 0.5402 0.5402 0.5696 0.5696 0.8537 0.8537 0.8651 0.8651 1.0560 1.0560 1.0843 1.0843 1.3566 1.3566 1.3744 1.3744 1.5767 1.5767 1.6228 1.6228 1.8294 1.8294 2.0710 2.0710 2.1605 2.1605 2.1731 2.1731 2.3543 2.3543 4.3441 4.3441 4.7759 4.7759 4.8181 4.8181 4.8683 4.8683 4.9399 4.9399 5.3157 5.3157 5.5570 5.5570 5.5797 5.5797 5.8963 5.8963 5.9099 5.9099 9.8134 9.8134 10.0156 10.0156 10.3972 10.3972 10.4067 10.4067 k = 0.3333 0.5774 0.2666 ( 22368 PWs) bands (ev): -14.8796 -14.8796 -14.8796 -14.8796 -10.7017 -10.7017 -10.2947 -10.2947 -10.2940 -10.2940 -10.2850 -10.2850 -10.1339 -10.1339 -10.1335 -10.1335 -3.6639 -3.6639 -3.6609 -3.6609 -2.2933 -2.2933 -2.2766 -2.2766 -2.2200 -2.2200 -2.2006 -2.2006 -0.3290 -0.3290 -0.1152 -0.1152 0.5000 0.5000 0.5359 0.5359 0.5759 0.5759 0.8433 0.8433 0.8581 0.8581 1.0497 1.0497 1.0751 1.0751 1.3497 1.3497 1.3687 1.3687 1.6054 1.6054 1.6519 1.6519 1.8376 1.8376 2.0407 2.0407 2.1595 2.1595 2.1875 2.1875 2.3413 2.3413 4.3732 4.3732 4.7765 4.7765 4.8214 4.8214 4.8650 4.8650 4.9365 4.9365 5.2957 5.2957 5.5590 5.5590 5.5799 5.5799 5.8897 5.8897 5.9034 5.9034 9.8750 9.8750 9.9932 9.9932 10.3966 10.3966 10.4061 10.4061 k = 0.3333 0.5774 0.2888 ( 22380 PWs) bands (ev): -14.8794 -14.8794 -14.8794 -14.8794 -10.6918 -10.6918 -10.2963 -10.2963 -10.2926 -10.2926 -10.2920 -10.2920 -10.1367 -10.1367 -10.1363 -10.1363 -3.6642 -3.6642 -3.6607 -3.6607 -2.2933 -2.2933 -2.2762 -2.2762 -2.2213 -2.2213 -2.2021 -2.2021 -0.3211 -0.3211 -0.0996 -0.0996 0.4959 0.4959 0.5316 0.5316 0.5862 0.5862 0.8311 0.8311 0.8495 0.8495 1.0450 1.0450 1.0673 1.0673 1.3429 1.3429 1.3628 1.3628 1.6354 1.6354 1.6822 1.6822 1.8453 1.8453 2.0009 2.0009 2.1653 2.1653 2.2006 2.2006 2.3275 2.3275 4.4033 4.4033 4.7770 4.7770 4.8248 4.8248 4.8616 4.8616 4.9328 4.9328 5.2744 5.2744 5.5620 5.5620 5.5810 5.5810 5.8822 5.8822 5.8960 5.8960 9.9409 9.9409 9.9731 9.9731 10.3988 10.3988 10.4083 10.4083 k = 0.3333 0.5774 0.3110 ( 22416 PWs) bands (ev): -14.8792 -14.8792 -14.8792 -14.8792 -10.6813 -10.6813 -10.3082 -10.3082 -10.2905 -10.2905 -10.2899 -10.2899 -10.1396 -10.1396 -10.1392 -10.1392 -3.6645 -3.6645 -3.6605 -3.6605 -2.2935 -2.2935 -2.2758 -2.2758 -2.2224 -2.2224 -2.2037 -2.2037 -0.3124 -0.3124 -0.0861 -0.0861 0.4925 0.4925 0.5277 0.5277 0.6007 0.6007 0.8168 0.8168 0.8391 0.8391 1.0422 1.0422 1.0616 1.0616 1.3363 1.3363 1.3568 1.3568 1.6663 1.6663 1.7132 1.7132 1.8504 1.8504 1.9592 1.9592 2.1727 2.1727 2.2123 2.2123 2.3130 2.3130 4.4343 4.4343 4.7774 4.7774 4.8283 4.8283 4.8580 4.8580 4.9289 4.9289 5.2519 5.2519 5.5661 5.5661 5.5831 5.5831 5.8737 5.8737 5.8876 5.8876 9.9557 9.9557 10.0108 10.0108 10.4036 10.4036 10.4133 10.4133 k = 0.3333 0.5774 0.3332 ( 22404 PWs) bands (ev): -14.8791 -14.8791 -14.8791 -14.8791 -10.6701 -10.6701 -10.3207 -10.3207 -10.2883 -10.2883 -10.2878 -10.2878 -10.1426 -10.1426 -10.1421 -10.1421 -3.6649 -3.6649 -3.6602 -3.6602 -2.2937 -2.2937 -2.2754 -2.2754 -2.2234 -2.2234 -2.2052 -2.2052 -0.3031 -0.3031 -0.0754 -0.0754 0.4899 0.4899 0.5243 0.5243 0.6199 0.6199 0.8008 0.8008 0.8269 0.8269 1.0415 1.0415 1.0582 1.0582 1.3297 1.3297 1.3506 1.3506 1.6976 1.6976 1.7448 1.7448 1.8452 1.8452 1.9252 1.9252 2.1794 2.1794 2.2222 2.2222 2.2982 2.2982 4.4659 4.4659 4.7778 4.7778 4.8318 4.8318 4.8542 4.8542 4.9247 4.9247 5.2282 5.2282 5.5713 5.5713 5.5863 5.5863 5.8643 5.8643 5.8782 5.8782 9.9413 9.9413 10.0841 10.0841 10.4109 10.4109 10.4210 10.4210 k = 0.3333 0.5774 0.3555 ( 22404 PWs) bands (ev): -14.8789 -14.8789 -14.8789 -14.8789 -10.6584 -10.6584 -10.3338 -10.3338 -10.2861 -10.2861 -10.2856 -10.2856 -10.1455 -10.1455 -10.1450 -10.1450 -3.6652 -3.6652 -3.6600 -3.6600 -2.2941 -2.2941 -2.2750 -2.2750 -2.2241 -2.2241 -2.2067 -2.2067 -0.2931 -0.2931 -0.0678 -0.0678 0.4882 0.4882 0.5216 0.5216 0.6440 0.6440 0.7833 0.7833 0.8130 0.8130 1.0427 1.0427 1.0573 1.0573 1.3231 1.3231 1.3442 1.3442 1.7290 1.7290 1.7765 1.7765 1.8162 1.8162 1.9134 1.9134 2.1847 2.1847 2.2303 2.2303 2.2830 2.2830 4.4981 4.4981 4.7781 4.7781 4.8354 4.8354 4.8504 4.8504 4.9203 4.9203 5.2034 5.2034 5.5776 5.5776 5.5907 5.5907 5.8540 5.8540 5.8680 5.8680 9.9302 9.9302 10.1600 10.1600 10.4204 10.4204 10.4310 10.4310 k = 0.3333 0.5774 0.3777 ( 22389 PWs) bands (ev): -14.8787 -14.8787 -14.8787 -14.8787 -10.6461 -10.6461 -10.3475 -10.3475 -10.2839 -10.2839 -10.2834 -10.2834 -10.1485 -10.1485 -10.1479 -10.1479 -3.6655 -3.6655 -3.6598 -3.6598 -2.2945 -2.2945 -2.2746 -2.2746 -2.2246 -2.2246 -2.2082 -2.2082 -0.2824 -0.2824 -0.0635 -0.0635 0.4875 0.4875 0.5196 0.5196 0.6730 0.6730 0.7647 0.7647 0.7978 0.7978 1.0455 1.0455 1.0585 1.0585 1.3166 1.3166 1.3376 1.3376 1.7589 1.7589 1.7705 1.7705 1.8081 1.8081 1.9181 1.9181 2.1879 2.1879 2.2365 2.2365 2.2679 2.2679 4.5307 4.5307 4.7783 4.7783 4.8390 4.8390 4.8466 4.8466 4.9158 4.9158 5.1776 5.1776 5.5850 5.5850 5.5961 5.5961 5.8430 5.8430 5.8569 5.8569 9.9226 9.9226 10.2362 10.2362 10.4316 10.4316 10.4423 10.4423 k = 0.3333 0.5774 0.3999 ( 22386 PWs) bands (ev): -14.8786 -14.8786 -14.8786 -14.8786 -10.6332 -10.6332 -10.3616 -10.3616 -10.2817 -10.2817 -10.2812 -10.2812 -10.1514 -10.1514 -10.1508 -10.1508 -3.6658 -3.6658 -3.6596 -3.6596 -2.2950 -2.2950 -2.2743 -2.2743 -2.2250 -2.2250 -2.2096 -2.2096 -0.2711 -0.2711 -0.0623 -0.0623 0.4878 0.4878 0.5185 0.5185 0.7069 0.7069 0.7454 0.7454 0.7819 0.7819 1.0497 1.0497 1.0614 1.0614 1.3101 1.3101 1.3309 1.3309 1.7151 1.7151 1.7909 1.7909 1.8391 1.8391 1.9289 1.9289 2.1885 2.1885 2.2407 2.2407 2.2533 2.2533 4.5635 4.5635 4.7785 4.7785 4.8426 4.8426 4.8429 4.8429 4.9110 4.9110 5.1510 5.1510 5.5936 5.5936 5.6027 5.6027 5.8313 5.8313 5.8451 5.8451 9.9185 9.9185 10.3021 10.3021 10.4216 10.4216 10.4442 10.4442 k = 0.3333 0.5774 0.4221 ( 22407 PWs) bands (ev): -14.8784 -14.8784 -14.8784 -14.8784 -10.6199 -10.6199 -10.3761 -10.3761 -10.2795 -10.2795 -10.2791 -10.2791 -10.1542 -10.1542 -10.1535 -10.1535 -3.6661 -3.6661 -3.6594 -3.6594 -2.2956 -2.2956 -2.2739 -2.2739 -2.2252 -2.2252 -2.2110 -2.2110 -0.2592 -0.2592 -0.0642 -0.0642 0.4892 0.4892 0.5183 0.5183 0.7260 0.7260 0.7450 0.7450 0.7659 0.7659 1.0548 1.0548 1.0657 1.0657 1.3037 1.3037 1.3242 1.3242 1.6582 1.6582 1.8202 1.8202 1.8692 1.8692 1.9422 1.9422 2.1857 2.1857 2.2400 2.2400 2.2429 2.2429 4.5964 4.5964 4.7787 4.7787 4.8392 4.8392 4.8463 4.8463 4.9062 4.9062 5.1237 5.1237 5.6031 5.6031 5.6104 5.6104 5.8189 5.8189 5.8326 5.8326 9.9180 9.9180 10.3154 10.3154 10.4489 10.4489 10.4574 10.4574 k = 0.3333 0.5774 0.4443 ( 22377 PWs) bands (ev): -14.8783 -14.8783 -14.8783 -14.8783 -10.6061 -10.6061 -10.3910 -10.3910 -10.2774 -10.2774 -10.2771 -10.2771 -10.1569 -10.1569 -10.1562 -10.1562 -3.6664 -3.6664 -3.6592 -3.6592 -2.2962 -2.2962 -2.2736 -2.2736 -2.2252 -2.2252 -2.2122 -2.2122 -0.2466 -0.2466 -0.0688 -0.0688 0.4917 0.4917 0.5189 0.5189 0.7068 0.7068 0.7492 0.7492 0.7882 0.7882 1.0604 1.0604 1.0709 1.0709 1.2974 1.2974 1.3175 1.3175 1.5995 1.5995 1.8482 1.8482 1.8981 1.8981 1.9570 1.9570 2.1791 2.1791 2.2285 2.2285 2.2433 2.2433 4.6293 4.6293 4.7789 4.7789 4.8357 4.8357 4.8500 4.8500 4.9013 4.9013 5.0957 5.0957 5.6136 5.6136 5.6191 5.6191 5.8061 5.8061 5.8195 5.8195 9.9211 9.9211 10.2848 10.2848 10.4705 10.4705 10.4853 10.4853 k = 0.3333 0.5774 0.4665 ( 22362 PWs) bands (ev): -14.8781 -14.8781 -14.8781 -14.8781 -10.5919 -10.5919 -10.4061 -10.4061 -10.2755 -10.2755 -10.2752 -10.2752 -10.1594 -10.1594 -10.1586 -10.1586 -3.6666 -3.6666 -3.6590 -3.6590 -2.2967 -2.2967 -2.2733 -2.2733 -2.2251 -2.2251 -2.2134 -2.2134 -0.2336 -0.2336 -0.0758 -0.0758 0.4952 0.4952 0.5202 0.5202 0.6882 0.6882 0.7339 0.7339 0.8344 0.8344 1.0663 1.0663 1.0766 1.0766 1.2914 1.2914 1.3110 1.3110 1.5396 1.5396 1.8745 1.8745 1.9254 1.9254 1.9727 1.9727 2.1686 2.1686 2.2191 2.2191 2.2419 2.2419 4.6620 4.6620 4.7790 4.7790 4.8325 4.8325 4.8537 4.8537 4.8964 4.8964 5.0673 5.0673 5.6250 5.6250 5.6287 5.6287 5.7929 5.7929 5.8059 5.8059 9.9278 9.9278 10.2465 10.2465 10.4827 10.4827 10.4994 10.4994 k = 0.3333 0.5774 0.4888 ( 22377 PWs) bands (ev): -14.8780 -14.8780 -14.8780 -14.8780 -10.5773 -10.5773 -10.4215 -10.4215 -10.2737 -10.2737 -10.2734 -10.2734 -10.1616 -10.1616 -10.1607 -10.1607 -3.6668 -3.6668 -3.6589 -3.6589 -2.2973 -2.2973 -2.2730 -2.2730 -2.2249 -2.2249 -2.2144 -2.2144 -0.2201 -0.2201 -0.0848 -0.0848 0.4996 0.4996 0.5220 0.5220 0.6707 0.6707 0.7196 0.7196 0.8839 0.8839 1.0721 1.0721 1.0824 1.0824 1.2858 1.2858 1.3047 1.3047 1.4790 1.4790 1.8985 1.8985 1.9504 1.9504 1.9891 1.9891 2.1551 2.1551 2.2112 2.2112 2.2391 2.2391 4.6943 4.6943 4.7792 4.7792 4.8295 4.8295 4.8572 4.8572 4.8916 4.8916 5.0386 5.0386 5.6370 5.6370 5.6391 5.6391 5.7794 5.7794 5.7921 5.7921 9.9380 9.9380 10.2078 10.2078 10.4933 10.4933 10.5118 10.5118 k = 0.3333 0.5774 0.5110 ( 22362 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5624 -10.5624 -10.4371 -10.4371 -10.2722 -10.2722 -10.2719 -10.2719 -10.1635 -10.1635 -10.1626 -10.1626 -3.6670 -3.6670 -3.6587 -3.6587 -2.2977 -2.2977 -2.2728 -2.2728 -2.2247 -2.2247 -2.2153 -2.2153 -0.2062 -0.2062 -0.0954 -0.0954 0.5046 0.5046 0.5243 0.5243 0.6546 0.6546 0.7069 0.7069 0.9361 0.9361 1.0775 1.0775 1.0880 1.0880 1.2809 1.2809 1.2985 1.2985 1.4185 1.4185 1.9198 1.9198 1.9728 1.9728 2.0058 2.0058 2.1400 2.1400 2.2042 2.2042 2.2353 2.2353 4.7261 4.7261 4.7794 4.7794 4.8270 4.8270 4.8602 4.8602 4.8874 4.8874 5.0100 5.0100 5.6494 5.6494 5.6502 5.6502 5.7658 5.7658 5.7781 5.7781 9.9516 9.9516 10.1702 10.1702 10.5018 10.5018 10.5218 10.5218 k = 0.3333 0.5774 0.5332 ( 22377 PWs) bands (ev): -14.8779 -14.8779 -14.8779 -14.8779 -10.5472 -10.5472 -10.4529 -10.4529 -10.2710 -10.2710 -10.2707 -10.2707 -10.1651 -10.1651 -10.1641 -10.1641 -3.6671 -3.6671 -3.6587 -3.6586 -2.2981 -2.2981 -2.2726 -2.2726 -2.2244 -2.2244 -2.2161 -2.2161 -0.1920 -0.1920 -0.1073 -0.1073 0.5099 0.5099 0.5266 0.5266 0.6405 0.6405 0.6963 0.6963 0.9903 0.9903 1.0821 1.0821 1.0931 1.0931 1.2767 1.2767 1.2916 1.2916 1.3593 1.3593 1.9379 1.9379 1.9916 1.9916 2.0225 2.0225 2.1240 2.1240 2.1980 2.1980 2.2310 2.2310 4.7568 4.7568 4.7795 4.7795 4.8249 4.8249 4.8612 4.8612 4.8852 4.8852 4.9819 4.9819 5.6616 5.6616 5.6620 5.6620 5.7524 5.7524 5.7644 5.7644 9.9684 9.9684 10.1345 10.1345 10.5081 10.5081 10.5293 10.5293 k = 0.3333 0.5774 0.5554 ( 22386 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5317 -10.5317 -10.4687 -10.4687 -10.2700 -10.2700 -10.2698 -10.2698 -10.1662 -10.1662 -10.1653 -10.1653 -3.6672 -3.6672 -3.6586 -3.6586 -2.2984 -2.2984 -2.2725 -2.2725 -2.2242 -2.2242 -2.2167 -2.2167 -0.1777 -0.1777 -0.1202 -0.1202 0.5148 0.5148 0.5287 0.5287 0.6293 0.6293 0.6882 0.6882 1.0452 1.0452 1.0857 1.0857 1.0983 1.0983 1.2735 1.2735 1.2746 1.2746 1.3117 1.3117 1.9519 1.9519 2.0060 2.0060 2.0390 2.0390 2.1079 2.1079 2.1927 2.1927 2.2270 2.2270 4.7797 4.7797 4.7858 4.7858 4.8234 4.8234 4.8579 4.8579 4.8870 4.8870 4.9554 4.9554 5.6729 5.6729 5.6740 5.6740 5.7398 5.7398 5.7516 5.7516 9.9882 9.9882 10.1011 10.1011 10.5122 10.5122 10.5343 10.5343 k = 0.3333 0.5774 0.5776 ( 22398 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5161 -10.5161 -10.4846 -10.4846 -10.2695 -10.2695 -10.2693 -10.2693 -10.1669 -10.1669 -10.1659 -10.1659 -3.6673 -3.6673 -3.6585 -3.6585 -2.2986 -2.2986 -2.2724 -2.2724 -2.2240 -2.2240 -2.2171 -2.2171 -0.1636 -0.1636 -0.1334 -0.1334 0.5184 0.5184 0.5301 0.5301 0.6219 0.6219 0.6831 0.6831 1.0875 1.0875 1.0879 1.0879 1.1160 1.1160 1.2261 1.2261 1.2715 1.2715 1.2975 1.2975 1.9610 1.9610 2.0152 2.0152 2.0544 2.0544 2.0924 2.0924 2.1891 2.1891 2.2241 2.2241 4.7798 4.7798 4.8116 4.8116 4.8224 4.8224 4.8491 4.8491 4.8934 4.8934 4.9325 4.9325 5.6827 5.6827 5.6839 5.6839 5.7291 5.7291 5.7412 5.7412 10.0102 10.0102 10.0709 10.0709 10.5145 10.5145 10.5370 10.5370 k = 0.3333 0.5774 0.5998 ( 22362 PWs) bands (ev): -14.8778 -14.8778 -14.8778 -14.8778 -10.5008 -10.5008 -10.5000 -10.5000 -10.2693 -10.2693 -10.2691 -10.2691 -10.1672 -10.1672 -10.1662 -10.1662 -3.6673 -3.6673 -3.6585 -3.6585 -2.2987 -2.2987 -2.2724 -2.2724 -2.2240 -2.2240 -2.2172 -2.2172 -0.1532 -0.1532 -0.1435 -0.1435 0.5197 0.5197 0.5306 0.5306 0.6192 0.6192 0.6814 0.6814 1.0887 1.0887 1.0938 1.0938 1.1641 1.1641 1.1731 1.1731 1.2708 1.2708 1.2953 1.2953 1.9641 1.9641 2.0184 2.0184 2.0640 2.0640 2.0828 2.0828 2.1879 2.1879 2.2231 2.2231 4.7798 4.7798 4.8221 4.8221 4.8290 4.8290 4.8379 4.8379 4.8994 4.8994 4.9204 4.9204 5.6872 5.6872 5.6881 5.6881 5.7244 5.7244 5.7368 5.7368 10.0266 10.0266 10.0518 10.0518 10.5152 10.5152 10.5379 10.5379 Writing output data file CsFeCl3.save init_run : 0.72s CPU 0.89s WALL ( 1 calls) electrons : 819.31s CPU 825.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 819.30s CPU 825.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.28s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.33s WALL ( 230 calls) cegterg : 766.76s CPU 771.74s WALL ( 551 calls) Called by sum_band: Called by *egterg: h_psi : 426.81s CPU 431.52s WALL ( 8986 calls) s_psi : 32.54s CPU 32.70s WALL ( 8986 calls) g_psi : 1.11s CPU 0.95s WALL ( 8205 calls) cdiaghg : 236.26s CPU 236.97s WALL ( 8435 calls) cegterg:over : 41.54s CPU 41.65s WALL ( 8205 calls) cegterg:upda : 35.03s CPU 35.03s WALL ( 8205 calls) cegterg:last : 18.66s CPU 18.64s WALL ( 1163 calls) cdiaghg:chol : 9.73s CPU 9.79s WALL ( 8435 calls) cdiaghg:inve : 7.62s CPU 7.53s WALL ( 8435 calls) cdiaghg:para : 15.67s CPU 16.00s WALL ( 16870 calls) Called by h_psi: h_psi:vloc : 337.53s CPU 342.32s WALL ( 8986 calls) h_psi:vnl : 88.11s CPU 88.01s WALL ( 8986 calls) add_vuspsi : 48.19s CPU 48.08s WALL ( 8986 calls) General routines calbec : 39.84s CPU 39.90s WALL ( 8986 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 326.54s CPU 331.12s WALL ( 1217452 calls) davcio : 0.30s CPU 0.62s WALL ( 460 calls) Parallel routines fft_scatter : 197.46s CPU 199.29s WALL ( 1217467 calls) PWSCF : 15m 7.88s CPU 15m36.29s WALL This run was terminated on: 6:53:11 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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