Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 2:37:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 89 36 10 8639 2188 317 Max 90 37 11 8648 2222 328 Sum 6461 2599 725 622341 159013 23249 bravais-lattice index = 14 lattice parameter (alat) = 12.3116 a.u. unit-cell volume = 3773.2929 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.311565 celldm(2)= 1.172525 celldm(3)= 1.724482 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.172525 0.000000 ) a(3) = ( 0.000000 0.000000 1.724482 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.852860 -0.000000 ) b(3) = ( 0.000000 0.000000 0.579884 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 15.00 208.98040 Bi( 1.00) Rb 9.00 85.46780 Rb( 1.00) 8 Sym. Ops., with inversion, found ( 6 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 ) ( 0.8622410 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5862625 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5862625 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8622410 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8622410 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5862625 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5862625 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8622410 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 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 C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 252 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0039683 k( 3) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0039683 k( 4) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0039683 k( 5) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0039683 k( 6) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 7) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0039683 k( 8) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0039683 k( 9) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0039683 k( 10) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0039683 k( 11) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 12) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0039683 k( 13) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0039683 k( 14) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0039683 k( 15) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0039683 k( 16) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 17) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0039683 k( 18) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0039683 k( 19) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0039683 k( 20) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0039683 k( 21) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 22) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0039683 k( 23) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0039683 k( 24) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0039683 k( 25) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0039683 k( 26) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 27) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 28) = ( 0.5000000 0.0203062 -0.0000000), wk = 0.0039683 k( 29) = ( 0.5000000 0.0406124 -0.0000000), wk = 0.0039683 k( 30) = ( 0.5000000 0.0609186 -0.0000000), wk = 0.0039683 k( 31) = ( 0.5000000 0.0812248 -0.0000000), wk = 0.0039683 k( 32) = ( 0.5000000 0.1015310 -0.0000000), wk = 0.0039683 k( 33) = ( 0.5000000 0.1218372 -0.0000000), wk = 0.0039683 k( 34) = ( 0.5000000 0.1421434 -0.0000000), wk = 0.0039683 k( 35) = ( 0.5000000 0.1624496 -0.0000000), wk = 0.0039683 k( 36) = ( 0.5000000 0.1827558 -0.0000000), wk = 0.0039683 k( 37) = ( 0.5000000 0.2030620 -0.0000000), wk = 0.0039683 k( 38) = ( 0.5000000 0.2233682 -0.0000000), wk = 0.0039683 k( 39) = ( 0.5000000 0.2436744 -0.0000000), wk = 0.0039683 k( 40) = ( 0.5000000 0.2639806 -0.0000000), wk = 0.0039683 k( 41) = ( 0.5000000 0.2842868 -0.0000000), wk = 0.0039683 k( 42) = ( 0.5000000 0.3045930 -0.0000000), wk = 0.0039683 k( 43) = ( 0.5000000 0.3248992 -0.0000000), wk = 0.0039683 k( 44) = ( 0.5000000 0.3452054 -0.0000000), wk = 0.0039683 k( 45) = ( 0.5000000 0.3655116 -0.0000000), wk = 0.0039683 k( 46) = ( 0.5000000 0.3858178 -0.0000000), wk = 0.0039683 k( 47) = ( 0.5000000 0.4061240 -0.0000000), wk = 0.0039683 k( 48) = ( 0.5000000 0.4264302 -0.0000000), wk = 0.0039683 k( 49) = ( 0.5000000 0.4264302 -0.0000000), wk = 0.0039683 k( 50) = ( 0.4800000 0.4264302 -0.0000000), wk = 0.0039683 k( 51) = ( 0.4600000 0.4264302 -0.0000000), wk = 0.0039683 k( 52) = ( 0.4400000 0.4264302 -0.0000000), wk = 0.0039683 k( 53) = ( 0.4200000 0.4264302 -0.0000000), wk = 0.0039683 k( 54) = ( 0.4000000 0.4264302 -0.0000000), wk = 0.0039683 k( 55) = ( 0.3800000 0.4264302 -0.0000000), wk = 0.0039683 k( 56) = ( 0.3600000 0.4264302 -0.0000000), wk = 0.0039683 k( 57) = ( 0.3400000 0.4264302 -0.0000000), wk = 0.0039683 k( 58) = ( 0.3200000 0.4264302 -0.0000000), wk = 0.0039683 k( 59) = ( 0.3000000 0.4264302 -0.0000000), wk = 0.0039683 k( 60) = ( 0.2800000 0.4264302 -0.0000000), wk = 0.0039683 k( 61) = ( 0.2600000 0.4264302 -0.0000000), wk = 0.0039683 k( 62) = ( 0.2400000 0.4264302 -0.0000000), wk = 0.0039683 k( 63) = ( 0.2200000 0.4264302 -0.0000000), wk = 0.0039683 k( 64) = ( 0.2000000 0.4264302 -0.0000000), wk = 0.0039683 k( 65) = ( 0.1800000 0.4264302 -0.0000000), wk = 0.0039683 k( 66) = ( 0.1600000 0.4264302 -0.0000000), wk = 0.0039683 k( 67) = ( 0.1400000 0.4264302 -0.0000000), wk = 0.0039683 k( 68) = ( 0.1200000 0.4264302 -0.0000000), wk = 0.0039683 k( 69) = ( 0.1000000 0.4264302 -0.0000000), wk = 0.0039683 k( 70) = ( 0.0800000 0.4264302 -0.0000000), wk = 0.0039683 k( 71) = ( 0.0600000 0.4264302 -0.0000000), wk = 0.0039683 k( 72) = ( 0.0400000 0.4264302 -0.0000000), wk = 0.0039683 k( 73) = ( 0.0200000 0.4264302 -0.0000000), wk = 0.0039683 k( 74) = ( 0.0000000 0.4264302 -0.0000000), wk = 0.0039683 k( 75) = ( 0.0000000 0.4264302 -0.0000000), wk = 0.0039683 k( 76) = ( 0.0000000 0.4061240 -0.0000000), wk = 0.0039683 k( 77) = ( 0.0000000 0.3858178 -0.0000000), wk = 0.0039683 k( 78) = ( 0.0000000 0.3655116 -0.0000000), wk = 0.0039683 k( 79) = ( 0.0000000 0.3452054 -0.0000000), wk = 0.0039683 k( 80) = ( 0.0000000 0.3248992 -0.0000000), wk = 0.0039683 k( 81) = ( 0.0000000 0.3045930 -0.0000000), wk = 0.0039683 k( 82) = ( 0.0000000 0.2842868 -0.0000000), wk = 0.0039683 k( 83) = ( 0.0000000 0.2639806 -0.0000000), wk = 0.0039683 k( 84) = ( 0.0000000 0.2436744 -0.0000000), wk = 0.0039683 k( 85) = ( 0.0000000 0.2233682 -0.0000000), wk = 0.0039683 k( 86) = ( 0.0000000 0.2030620 -0.0000000), wk = 0.0039683 k( 87) = ( 0.0000000 0.1827558 -0.0000000), wk = 0.0039683 k( 88) = ( 0.0000000 0.1624496 -0.0000000), wk = 0.0039683 k( 89) = ( 0.0000000 0.1421434 -0.0000000), wk = 0.0039683 k( 90) = ( 0.0000000 0.1218372 -0.0000000), wk = 0.0039683 k( 91) = ( 0.0000000 0.1015310 -0.0000000), wk = 0.0039683 k( 92) = ( 0.0000000 0.0812248 -0.0000000), wk = 0.0039683 k( 93) = ( 0.0000000 0.0609186 -0.0000000), wk = 0.0039683 k( 94) = ( 0.0000000 0.0406124 -0.0000000), wk = 0.0039683 k( 95) = ( 0.0000000 0.0203062 -0.0000000), wk = 0.0039683 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 98) = ( 0.0000000 0.0000000 0.0207102), wk = 0.0039683 k( 99) = ( 0.0000000 0.0000000 0.0414203), wk = 0.0039683 k( 100) = ( 0.0000000 0.0000000 0.0621305), wk = 0.0039683 k( 101) = ( 0.0000000 0.0000000 0.0828406), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.1035508), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.1242609), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.1449711), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.1656812), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.1863914), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.2071015), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.2278117), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.2485218), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.2692320), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.2899421), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.2899421), wk = 0.0039683 k( 113) = ( 0.0200000 -0.0000000 0.2899421), wk = 0.0039683 k( 114) = ( 0.0400000 -0.0000000 0.2899421), wk = 0.0039683 k( 115) = ( 0.0600000 -0.0000000 0.2899421), wk = 0.0039683 k( 116) = ( 0.0800000 -0.0000000 0.2899421), wk = 0.0039683 k( 117) = ( 0.1000000 -0.0000000 0.2899421), wk = 0.0039683 k( 118) = ( 0.1200000 -0.0000000 0.2899421), wk = 0.0039683 k( 119) = ( 0.1400000 -0.0000000 0.2899421), wk = 0.0039683 k( 120) = ( 0.1600000 -0.0000000 0.2899421), wk = 0.0039683 k( 121) = ( 0.1800000 -0.0000000 0.2899421), wk = 0.0039683 k( 122) = ( 0.2000000 -0.0000000 0.2899421), wk = 0.0039683 k( 123) = ( 0.2200000 -0.0000000 0.2899421), wk = 0.0039683 k( 124) = ( 0.2400000 -0.0000000 0.2899421), wk = 0.0039683 k( 125) = ( 0.2600000 -0.0000000 0.2899421), wk = 0.0039683 k( 126) = ( 0.2800000 -0.0000000 0.2899421), wk = 0.0039683 k( 127) = ( 0.3000000 -0.0000000 0.2899421), wk = 0.0039683 k( 128) = ( 0.3200000 -0.0000000 0.2899421), wk = 0.0039683 k( 129) = ( 0.3400000 -0.0000000 0.2899421), wk = 0.0039683 k( 130) = ( 0.3600000 -0.0000000 0.2899421), wk = 0.0039683 k( 131) = ( 0.3800000 -0.0000000 0.2899421), wk = 0.0039683 k( 132) = ( 0.4000000 -0.0000000 0.2899421), wk = 0.0039683 k( 133) = ( 0.4200000 -0.0000000 0.2899421), wk = 0.0039683 k( 134) = ( 0.4400000 -0.0000000 0.2899421), wk = 0.0039683 k( 135) = ( 0.4600000 -0.0000000 0.2899421), wk = 0.0039683 k( 136) = ( 0.4800000 -0.0000000 0.2899421), wk = 0.0039683 k( 137) = ( 0.5000000 -0.0000000 0.2899421), wk = 0.0039683 k( 138) = ( 0.5000000 -0.0000000 0.2899421), wk = 0.0039683 k( 139) = ( 0.5000000 0.0203062 0.2899421), wk = 0.0039683 k( 140) = ( 0.5000000 0.0406124 0.2899421), wk = 0.0039683 k( 141) = ( 0.5000000 0.0609186 0.2899421), wk = 0.0039683 k( 142) = ( 0.5000000 0.0812248 0.2899421), wk = 0.0039683 k( 143) = ( 0.5000000 0.1015310 0.2899421), wk = 0.0039683 k( 144) = ( 0.5000000 0.1218372 0.2899421), wk = 0.0039683 k( 145) = ( 0.5000000 0.1421434 0.2899421), wk = 0.0039683 k( 146) = ( 0.5000000 0.1624496 0.2899421), wk = 0.0039683 k( 147) = ( 0.5000000 0.1827558 0.2899421), wk = 0.0039683 k( 148) = ( 0.5000000 0.2030620 0.2899421), wk = 0.0039683 k( 149) = ( 0.5000000 0.2233682 0.2899421), wk = 0.0039683 k( 150) = ( 0.5000000 0.2436744 0.2899421), wk = 0.0039683 k( 151) = ( 0.5000000 0.2639806 0.2899421), wk = 0.0039683 k( 152) = ( 0.5000000 0.2842868 0.2899421), wk = 0.0039683 k( 153) = ( 0.5000000 0.3045930 0.2899421), wk = 0.0039683 k( 154) = ( 0.5000000 0.3248992 0.2899421), wk = 0.0039683 k( 155) = ( 0.5000000 0.3452054 0.2899421), wk = 0.0039683 k( 156) = ( 0.5000000 0.3655116 0.2899421), wk = 0.0039683 k( 157) = ( 0.5000000 0.3858178 0.2899421), wk = 0.0039683 k( 158) = ( 0.5000000 0.4061240 0.2899421), wk = 0.0039683 k( 159) = ( 0.5000000 0.4264302 0.2899421), wk = 0.0039683 k( 160) = ( 0.5000000 0.4264302 0.2899421), wk = 0.0039683 k( 161) = ( 0.4800000 0.4264302 0.2899421), wk = 0.0039683 k( 162) = ( 0.4600000 0.4264302 0.2899421), wk = 0.0039683 k( 163) = ( 0.4400000 0.4264302 0.2899421), wk = 0.0039683 k( 164) = ( 0.4200000 0.4264302 0.2899421), wk = 0.0039683 k( 165) = ( 0.4000000 0.4264302 0.2899421), wk = 0.0039683 k( 166) = ( 0.3800000 0.4264302 0.2899421), wk = 0.0039683 k( 167) = ( 0.3600000 0.4264302 0.2899421), wk = 0.0039683 k( 168) = ( 0.3400000 0.4264302 0.2899421), wk = 0.0039683 k( 169) = ( 0.3200000 0.4264302 0.2899421), wk = 0.0039683 k( 170) = ( 0.3000000 0.4264302 0.2899421), wk = 0.0039683 k( 171) = ( 0.2800000 0.4264302 0.2899421), wk = 0.0039683 k( 172) = ( 0.2600000 0.4264302 0.2899421), wk = 0.0039683 k( 173) = ( 0.2400000 0.4264302 0.2899421), wk = 0.0039683 k( 174) = ( 0.2200000 0.4264302 0.2899421), wk = 0.0039683 k( 175) = ( 0.2000000 0.4264302 0.2899421), wk = 0.0039683 k( 176) = ( 0.1800000 0.4264302 0.2899421), wk = 0.0039683 k( 177) = ( 0.1600000 0.4264302 0.2899421), wk = 0.0039683 k( 178) = ( 0.1400000 0.4264302 0.2899421), wk = 0.0039683 k( 179) = ( 0.1200000 0.4264302 0.2899421), wk = 0.0039683 k( 180) = ( 0.1000000 0.4264302 0.2899421), wk = 0.0039683 k( 181) = ( 0.0800000 0.4264302 0.2899421), wk = 0.0039683 k( 182) = ( 0.0600000 0.4264302 0.2899421), wk = 0.0039683 k( 183) = ( 0.0400000 0.4264302 0.2899421), wk = 0.0039683 k( 184) = ( 0.0200000 0.4264302 0.2899421), wk = 0.0039683 k( 185) = ( 0.0000000 0.4264302 0.2899421), wk = 0.0039683 k( 186) = ( 0.0000000 0.4264302 0.2899421), wk = 0.0039683 k( 187) = ( 0.0000000 0.4061240 0.2899421), wk = 0.0039683 k( 188) = ( 0.0000000 0.3858178 0.2899421), wk = 0.0039683 k( 189) = ( 0.0000000 0.3655116 0.2899421), wk = 0.0039683 k( 190) = ( 0.0000000 0.3452054 0.2899421), wk = 0.0039683 k( 191) = ( 0.0000000 0.3248992 0.2899421), wk = 0.0039683 k( 192) = ( 0.0000000 0.3045930 0.2899421), wk = 0.0039683 k( 193) = ( 0.0000000 0.2842868 0.2899421), wk = 0.0039683 k( 194) = ( 0.0000000 0.2639806 0.2899421), wk = 0.0039683 k( 195) = ( 0.0000000 0.2436744 0.2899421), wk = 0.0039683 k( 196) = ( 0.0000000 0.2233682 0.2899421), wk = 0.0039683 k( 197) = ( 0.0000000 0.2030620 0.2899421), wk = 0.0039683 k( 198) = ( 0.0000000 0.1827558 0.2899421), wk = 0.0039683 k( 199) = ( 0.0000000 0.1624496 0.2899421), wk = 0.0039683 k( 200) = ( 0.0000000 0.1421434 0.2899421), wk = 0.0039683 k( 201) = ( 0.0000000 0.1218372 0.2899421), wk = 0.0039683 k( 202) = ( 0.0000000 0.1015310 0.2899421), wk = 0.0039683 k( 203) = ( 0.0000000 0.0812248 0.2899421), wk = 0.0039683 k( 204) = ( 0.0000000 0.0609186 0.2899421), wk = 0.0039683 k( 205) = ( 0.0000000 0.0406124 0.2899421), wk = 0.0039683 k( 206) = ( 0.0000000 0.0203062 0.2899421), wk = 0.0039683 k( 207) = ( 0.0000000 0.0000000 0.2899421), wk = 0.0039683 k( 208) = ( 0.0000000 0.4264302 -0.0000000), wk = 0.0039683 k( 209) = ( 0.0000000 0.4264302 0.0207102), wk = 0.0039683 k( 210) = ( 0.0000000 0.4264302 0.0414203), wk = 0.0039683 k( 211) = ( 0.0000000 0.4264302 0.0621305), wk = 0.0039683 k( 212) = ( 0.0000000 0.4264302 0.0828406), wk = 0.0039683 k( 213) = ( 0.0000000 0.4264302 0.1035508), wk = 0.0039683 k( 214) = ( 0.0000000 0.4264302 0.1242609), wk = 0.0039683 k( 215) = ( 0.0000000 0.4264302 0.1449711), wk = 0.0039683 k( 216) = ( 0.0000000 0.4264302 0.1656812), wk = 0.0039683 k( 217) = ( 0.0000000 0.4264302 0.1863914), wk = 0.0039683 k( 218) = ( 0.0000000 0.4264302 0.2071015), wk = 0.0039683 k( 219) = ( 0.0000000 0.4264302 0.2278117), wk = 0.0039683 k( 220) = ( 0.0000000 0.4264302 0.2485218), wk = 0.0039683 k( 221) = ( 0.0000000 0.4264302 0.2692320), wk = 0.0039683 k( 222) = ( 0.0000000 0.4264302 0.2899421), wk = 0.0039683 k( 223) = ( 0.5000000 -0.0000000 0.2899421), wk = 0.0039683 k( 224) = ( 0.5000000 -0.0000000 0.2692320), wk = 0.0039683 k( 225) = ( 0.5000000 -0.0000000 0.2485218), wk = 0.0039683 k( 226) = ( 0.5000000 -0.0000000 0.2278117), wk = 0.0039683 k( 227) = ( 0.5000000 -0.0000000 0.2071015), wk = 0.0039683 k( 228) = ( 0.5000000 -0.0000000 0.1863914), wk = 0.0039683 k( 229) = ( 0.5000000 -0.0000000 0.1656812), wk = 0.0039683 k( 230) = ( 0.5000000 -0.0000000 0.1449711), wk = 0.0039683 k( 231) = ( 0.5000000 -0.0000000 0.1242609), wk = 0.0039683 k( 232) = ( 0.5000000 -0.0000000 0.1035508), wk = 0.0039683 k( 233) = ( 0.5000000 -0.0000000 0.0828406), wk = 0.0039683 k( 234) = ( 0.5000000 -0.0000000 0.0621305), wk = 0.0039683 k( 235) = ( 0.5000000 -0.0000000 0.0414203), wk = 0.0039683 k( 236) = ( 0.5000000 -0.0000000 0.0207102), wk = 0.0039683 k( 237) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 238) = ( 0.5000000 0.4264302 -0.0000000), wk = 0.0039683 k( 239) = ( 0.5000000 0.4264302 0.0207102), wk = 0.0039683 k( 240) = ( 0.5000000 0.4264302 0.0414203), wk = 0.0039683 k( 241) = ( 0.5000000 0.4264302 0.0621305), wk = 0.0039683 k( 242) = ( 0.5000000 0.4264302 0.0828406), wk = 0.0039683 k( 243) = ( 0.5000000 0.4264302 0.1035508), wk = 0.0039683 k( 244) = ( 0.5000000 0.4264302 0.1242609), wk = 0.0039683 k( 245) = ( 0.5000000 0.4264302 0.1449711), wk = 0.0039683 k( 246) = ( 0.5000000 0.4264302 0.1656812), wk = 0.0039683 k( 247) = ( 0.5000000 0.4264302 0.1863914), wk = 0.0039683 k( 248) = ( 0.5000000 0.4264302 0.2071015), wk = 0.0039683 k( 249) = ( 0.5000000 0.4264302 0.2278117), wk = 0.0039683 k( 250) = ( 0.5000000 0.4264302 0.2485218), wk = 0.0039683 k( 251) = ( 0.5000000 0.4264302 0.2692320), wk = 0.0039683 k( 252) = ( 0.5000000 0.4264302 0.2899421), wk = 0.0039683 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0039683 k( 3) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0039683 k( 4) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0039683 k( 5) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0039683 k( 6) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0039683 k( 7) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0039683 k( 8) = ( 0.1400000 0.0000000 0.0000000), wk = 0.0039683 k( 9) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0039683 k( 10) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0039683 k( 11) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0039683 k( 12) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0039683 k( 13) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0039683 k( 14) = ( 0.2600000 0.0000000 0.0000000), wk = 0.0039683 k( 15) = ( 0.2800000 0.0000000 0.0000000), wk = 0.0039683 k( 16) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0039683 k( 17) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0039683 k( 18) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0039683 k( 19) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0039683 k( 20) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0039683 k( 21) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0039683 k( 22) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0039683 k( 23) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0039683 k( 24) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0039683 k( 25) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0039683 k( 26) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039683 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039683 k( 28) = ( 0.5000000 0.0238095 0.0000000), wk = 0.0039683 k( 29) = ( 0.5000000 0.0476191 0.0000000), wk = 0.0039683 k( 30) = ( 0.5000000 0.0714286 0.0000000), wk = 0.0039683 k( 31) = ( 0.5000000 0.0952381 0.0000000), wk = 0.0039683 k( 32) = ( 0.5000000 0.1190476 0.0000000), wk = 0.0039683 k( 33) = ( 0.5000000 0.1428571 0.0000000), wk = 0.0039683 k( 34) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0039683 k( 35) = ( 0.5000000 0.1904762 0.0000000), wk = 0.0039683 k( 36) = ( 0.5000000 0.2142857 0.0000000), wk = 0.0039683 k( 37) = ( 0.5000000 0.2380952 0.0000000), wk = 0.0039683 k( 38) = ( 0.5000000 0.2619048 0.0000000), wk = 0.0039683 k( 39) = ( 0.5000000 0.2857143 0.0000000), wk = 0.0039683 k( 40) = ( 0.5000000 0.3095238 0.0000000), wk = 0.0039683 k( 41) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0039683 k( 42) = ( 0.5000000 0.3571429 -0.0000000), wk = 0.0039683 k( 43) = ( 0.5000000 0.3809524 0.0000000), wk = 0.0039683 k( 44) = ( 0.5000000 0.4047619 0.0000000), wk = 0.0039683 k( 45) = ( 0.5000000 0.4285714 0.0000000), wk = 0.0039683 k( 46) = ( 0.5000000 0.4523810 0.0000000), wk = 0.0039683 k( 47) = ( 0.5000000 0.4761905 0.0000000), wk = 0.0039683 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 49) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 50) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0039683 k( 51) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0039683 k( 52) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0039683 k( 53) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0039683 k( 54) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039683 k( 55) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0039683 k( 56) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0039683 k( 57) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0039683 k( 58) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0039683 k( 59) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0039683 k( 60) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0039683 k( 61) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0039683 k( 62) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0039683 k( 63) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0039683 k( 64) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0039683 k( 65) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0039683 k( 66) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0039683 k( 67) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0039683 k( 68) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0039683 k( 69) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0039683 k( 70) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0039683 k( 71) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0039683 k( 72) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0039683 k( 73) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0039683 k( 74) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039683 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039683 k( 76) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0039683 k( 77) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0039683 k( 78) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0039683 k( 79) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0039683 k( 80) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0039683 k( 81) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0039683 k( 82) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0039683 k( 83) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0039683 k( 84) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0039683 k( 85) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0039683 k( 86) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0039683 k( 87) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0039683 k( 88) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0039683 k( 89) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0039683 k( 90) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0039683 k( 91) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0039683 k( 92) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0039683 k( 93) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0039683 k( 94) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0039683 k( 95) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0039683 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 98) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0039683 k( 99) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0039683 k( 100) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0039683 k( 101) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0039683 k( 102) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0039683 k( 103) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0039683 k( 104) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039683 k( 105) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0039683 k( 106) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0039683 k( 107) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0039683 k( 108) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0039683 k( 109) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0039683 k( 110) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0039683 k( 111) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 113) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0039683 k( 114) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0039683 k( 115) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0039683 k( 116) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0039683 k( 117) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0039683 k( 118) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0039683 k( 119) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0039683 k( 120) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0039683 k( 121) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0039683 k( 122) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0039683 k( 123) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0039683 k( 124) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0039683 k( 125) = ( 0.2600000 0.0000000 0.5000000), wk = 0.0039683 k( 126) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0039683 k( 127) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0039683 k( 128) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0039683 k( 129) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0039683 k( 130) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0039683 k( 131) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0039683 k( 132) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0039683 k( 133) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0039683 k( 134) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0039683 k( 135) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0039683 k( 136) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0039683 k( 137) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 138) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 139) = ( 0.5000000 0.0238095 0.5000000), wk = 0.0039683 k( 140) = ( 0.5000000 0.0476191 0.5000000), wk = 0.0039683 k( 141) = ( 0.5000000 0.0714286 0.5000000), wk = 0.0039683 k( 142) = ( 0.5000000 0.0952381 0.5000000), wk = 0.0039683 k( 143) = ( 0.5000000 0.1190476 0.5000000), wk = 0.0039683 k( 144) = ( 0.5000000 0.1428571 0.5000000), wk = 0.0039683 k( 145) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0039683 k( 146) = ( 0.5000000 0.1904762 0.5000000), wk = 0.0039683 k( 147) = ( 0.5000000 0.2142857 0.5000000), wk = 0.0039683 k( 148) = ( 0.5000000 0.2380952 0.5000000), wk = 0.0039683 k( 149) = ( 0.5000000 0.2619048 0.5000000), wk = 0.0039683 k( 150) = ( 0.5000000 0.2857143 0.5000000), wk = 0.0039683 k( 151) = ( 0.5000000 0.3095238 0.5000000), wk = 0.0039683 k( 152) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0039683 k( 153) = ( 0.5000000 0.3571429 0.5000000), wk = 0.0039683 k( 154) = ( 0.5000000 0.3809524 0.5000000), wk = 0.0039683 k( 155) = ( 0.5000000 0.4047619 0.5000000), wk = 0.0039683 k( 156) = ( 0.5000000 0.4285714 0.5000000), wk = 0.0039683 k( 157) = ( 0.5000000 0.4523810 0.5000000), wk = 0.0039683 k( 158) = ( 0.5000000 0.4761905 0.5000000), wk = 0.0039683 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 k( 161) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0039683 k( 162) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0039683 k( 163) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0039683 k( 164) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0039683 k( 165) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039683 k( 166) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0039683 k( 167) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0039683 k( 168) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0039683 k( 169) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0039683 k( 170) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039683 k( 171) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0039683 k( 172) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0039683 k( 173) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0039683 k( 174) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0039683 k( 175) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039683 k( 176) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0039683 k( 177) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0039683 k( 178) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0039683 k( 179) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0039683 k( 180) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039683 k( 181) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0039683 k( 182) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0039683 k( 183) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0039683 k( 184) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0039683 k( 185) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 187) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0039683 k( 188) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0039683 k( 189) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0039683 k( 190) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0039683 k( 191) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0039683 k( 192) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0039683 k( 193) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0039683 k( 194) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0039683 k( 195) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0039683 k( 196) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0039683 k( 197) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0039683 k( 198) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0039683 k( 199) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0039683 k( 200) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0039683 k( 201) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0039683 k( 202) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0039683 k( 203) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0039683 k( 204) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0039683 k( 205) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0039683 k( 206) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0039683 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 208) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039683 k( 209) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0039683 k( 210) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0039683 k( 211) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0039683 k( 212) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0039683 k( 213) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0039683 k( 214) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0039683 k( 215) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0039683 k( 216) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0039683 k( 217) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0039683 k( 218) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0039683 k( 219) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0039683 k( 220) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0039683 k( 221) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0039683 k( 222) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 223) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 224) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0039683 k( 225) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0039683 k( 226) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0039683 k( 227) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0039683 k( 228) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0039683 k( 229) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0039683 k( 230) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0039683 k( 231) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0039683 k( 232) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0039683 k( 233) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0039683 k( 234) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0039683 k( 235) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0039683 k( 236) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0039683 k( 237) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039683 k( 238) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 239) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0039683 k( 240) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0039683 k( 241) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0039683 k( 242) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0039683 k( 243) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0039683 k( 244) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0039683 k( 245) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0039683 k( 246) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0039683 k( 247) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0039683 k( 248) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0039683 k( 249) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0039683 k( 250) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0039683 k( 251) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0039683 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 Dense grid: 622341 G-vectors FFT dimensions: ( 90, 100, 150) Smooth grid: 159013 G-vectors FFT dimensions: ( 54, 64, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 552, 58) NL pseudopotentials 0.57 Mb ( 276, 136) Each V/rho on FFT grid 0.41 Mb ( 27000) Each G-vector array 0.07 Mb ( 8644) G-vector shells 0.03 Mb ( 4297) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.95 Mb ( 552, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./RbBi.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 10.0 secs Computing kpt #: 4 total cpu time spent up to now is 12.0 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 15.7 secs Computing kpt #: 7 total cpu time spent up to now is 17.5 secs Computing kpt #: 8 total cpu time spent up to now is 19.2 secs Computing kpt #: 9 total cpu time spent up to now is 21.0 secs Computing kpt #: 10 total cpu time spent up to now is 22.7 secs Computing kpt #: 11 total cpu time spent up to now is 24.4 secs Computing kpt #: 12 total cpu time spent up to now is 25.9 secs Computing kpt #: 13 total cpu time spent up to now is 27.6 secs Computing kpt #: 14 total cpu time spent up to now is 29.3 secs Computing kpt #: 15 total cpu time spent up to now is 30.8 secs Computing kpt #: 16 total cpu time spent up to now is 32.3 secs Computing kpt #: 17 total cpu time spent up to now is 34.2 secs Computing kpt #: 18 total cpu time spent up to now is 36.1 secs Computing kpt #: 19 total cpu time spent up to now is 38.1 secs Computing kpt #: 20 total cpu time spent up to now is 39.8 secs Computing kpt #: 21 total cpu time spent up to now is 41.6 secs Computing kpt #: 22 total cpu time spent up to now is 43.5 secs Computing kpt #: 23 total cpu time spent up to now is 45.5 secs Computing kpt #: 24 total cpu time spent up to now is 48.5 secs Computing kpt #: 25 total cpu time spent up to now is 50.5 secs Computing kpt #: 26 total cpu time spent up to now is 52.4 secs Computing kpt #: 27 total cpu time spent up to now is 54.4 secs Computing kpt #: 28 total cpu time spent up to now is 56.4 secs Computing kpt #: 29 total cpu time spent up to now is 58.4 secs Computing kpt #: 30 total cpu time spent up to now is 60.4 secs Computing kpt #: 31 total cpu time spent up to now is 62.4 secs Computing kpt #: 32 total cpu time spent up to now is 64.4 secs Computing kpt #: 33 total cpu time spent up to now is 66.4 secs Computing kpt #: 34 total cpu time spent up to now is 68.4 secs Computing kpt #: 35 total cpu time spent up to now is 70.1 secs Computing kpt #: 36 total cpu time spent up to now is 71.9 secs Computing kpt #: 37 total cpu time spent up to now is 73.6 secs Computing kpt #: 38 total cpu time spent up to now is 75.4 secs Computing kpt #: 39 total cpu time spent up to now is 77.2 secs Computing kpt #: 40 total cpu time spent up to now is 79.1 secs Computing kpt #: 41 total cpu time spent up to now is 81.1 secs Computing kpt #: 42 total cpu time spent up to now is 83.0 secs Computing kpt #: 43 total cpu time spent up to now is 85.0 secs Computing kpt #: 44 total cpu time spent up to now is 87.1 secs Computing kpt #: 45 total cpu time spent up to now is 89.4 secs Computing kpt #: 46 total cpu time spent up to now is 92.3 secs Computing kpt #: 47 total cpu time spent up to now is 96.0 secs Computing kpt #: 48 total cpu time spent up to now is 98.1 secs Computing kpt #: 49 total cpu time spent up to now is 100.2 secs Computing kpt #: 50 total cpu time spent up to now is 102.2 secs Computing kpt #: 51 total cpu time spent up to now is 104.2 secs Computing kpt #: 52 total cpu time spent up to now is 106.2 secs Computing kpt #: 53 total cpu time spent up to now is 108.2 secs Computing kpt #: 54 total cpu time spent up to now is 110.2 secs Computing kpt #: 55 total cpu time spent up to now is 112.2 secs Computing kpt #: 56 total cpu time spent up to now is 114.2 secs Computing kpt #: 57 total cpu time spent up to now is 116.2 secs Computing kpt #: 58 total cpu time spent up to now is 118.4 secs Computing kpt #: 59 total cpu time spent up to now is 120.6 secs Computing kpt #: 60 total cpu time spent up to now is 123.0 secs Computing kpt #: 61 total cpu time spent up to now is 125.1 secs Computing kpt #: 62 total cpu time spent up to now is 127.1 secs Computing kpt #: 63 total cpu time spent up to now is 129.1 secs Computing kpt #: 64 total cpu time spent up to now is 131.0 secs Computing kpt #: 65 total cpu time spent up to now is 132.9 secs Computing kpt #: 66 total cpu time spent up to now is 134.9 secs Computing kpt #: 67 total cpu time spent up to now is 137.4 secs Computing kpt #: 68 total cpu time spent up to now is 139.7 secs Computing kpt #: 69 total cpu time spent up to now is 141.6 secs Computing kpt #: 70 total cpu time spent up to now is 143.5 secs Computing kpt #: 71 total cpu time spent up to now is 145.3 secs Computing kpt #: 72 total cpu time spent up to now is 147.2 secs Computing kpt #: 73 total cpu time spent up to now is 149.1 secs Computing kpt #: 74 total cpu time spent up to now is 151.0 secs Computing kpt #: 75 total cpu time spent up to now is 152.7 secs Computing kpt #: 76 total cpu time spent up to now is 154.6 secs Computing kpt #: 77 total cpu time spent up to now is 156.3 secs Computing kpt #: 78 total cpu time spent up to now is 158.0 secs Computing kpt #: 79 total cpu time spent up to now is 159.6 secs Computing kpt #: 80 total cpu time spent up to now is 161.5 secs Computing kpt #: 81 total cpu time spent up to now is 163.0 secs Computing kpt #: 82 total cpu time spent up to now is 164.7 secs Computing kpt #: 83 total cpu time spent up to now is 166.4 secs Computing kpt #: 84 total cpu time spent up to now is 168.2 secs Computing kpt #: 85 total cpu time spent up to now is 170.2 secs Computing kpt #: 86 total cpu time spent up to now is 172.1 secs Computing kpt #: 87 total cpu time spent up to now is 173.9 secs Computing kpt #: 88 total cpu time spent up to now is 175.8 secs Computing kpt #: 89 total cpu time spent up to now is 177.7 secs Computing kpt #: 90 total cpu time spent up to now is 179.8 secs Computing kpt #: 91 total cpu time spent up to now is 182.2 secs Computing kpt #: 92 total cpu time spent up to now is 185.0 secs Computing kpt #: 93 total cpu time spent up to now is 187.7 secs Computing kpt #: 94 total cpu time spent up to now is 190.8 secs Computing kpt #: 95 total cpu time spent up to now is 193.9 secs Computing kpt #: 96 total cpu time spent up to now is 195.8 secs Computing kpt #: 97 total cpu time spent up to now is 197.8 secs Computing kpt #: 98 total cpu time spent up to now is 200.1 secs Computing kpt #: 99 total cpu time spent up to now is 202.0 secs Computing kpt #: 100 total cpu time spent up to now is 203.8 secs Computing kpt #: 101 total cpu time spent up to now is 205.6 secs Computing kpt #: 102 total cpu time spent up to now is 207.4 secs Computing kpt #: 103 total cpu time spent up to now is 209.1 secs Computing kpt #: 104 total cpu time spent up to now is 210.9 secs Computing kpt #: 105 total cpu time spent up to now is 212.6 secs Computing kpt #: 106 total cpu time spent up to now is 214.3 secs Computing kpt #: 107 total cpu time spent up to now is 216.0 secs Computing kpt #: 108 total cpu time spent up to now is 217.7 secs Computing kpt #: 109 total cpu time spent up to now is 219.6 secs Computing kpt #: 110 total cpu time spent up to now is 221.8 secs Computing kpt #: 111 total cpu time spent up to now is 223.6 secs Computing kpt #: 112 total cpu time spent up to now is 225.3 secs Computing kpt #: 113 total cpu time spent up to now is 227.1 secs Computing kpt #: 114 total cpu time spent up to now is 229.4 secs Computing kpt #: 115 total cpu time spent up to now is 231.6 secs Computing kpt #: 116 total cpu time spent up to now is 233.4 secs Computing kpt #: 117 total cpu time spent up to now is 235.2 secs Computing kpt #: 118 total cpu time spent up to now is 237.0 secs Computing kpt #: 119 total cpu time spent up to now is 238.8 secs Computing kpt #: 120 total cpu time spent up to now is 240.7 secs Computing kpt #: 121 total cpu time spent up to now is 242.5 secs Computing kpt #: 122 total cpu time spent up to now is 244.3 secs Computing kpt #: 123 total cpu time spent up to now is 246.1 secs Computing kpt #: 124 total cpu time spent up to now is 248.0 secs Computing kpt #: 125 total cpu time spent up to now is 249.7 secs Computing kpt #: 126 total cpu time spent up to now is 251.5 secs Computing kpt #: 127 total cpu time spent up to now is 253.4 secs Computing kpt #: 128 total cpu time spent up to now is 255.1 secs Computing kpt #: 129 total cpu time spent up to now is 256.8 secs Computing kpt #: 130 total cpu time spent up to now is 258.2 secs Computing kpt #: 131 total cpu time spent up to now is 259.9 secs Computing kpt #: 132 total cpu time spent up to now is 261.3 secs Computing kpt #: 133 total cpu time spent up to now is 262.8 secs Computing kpt #: 134 total cpu time spent up to now is 264.3 secs Computing kpt #: 135 total cpu time spent up to now is 266.0 secs Computing kpt #: 136 total cpu time spent up to now is 267.6 secs Computing kpt #: 137 total cpu time spent up to now is 269.3 secs Computing kpt #: 138 total cpu time spent up to now is 271.1 secs Computing kpt #: 139 total cpu time spent up to now is 273.2 secs Computing kpt #: 140 total cpu time spent up to now is 276.1 secs Computing kpt #: 141 total cpu time spent up to now is 278.0 secs Computing kpt #: 142 total cpu time spent up to now is 280.0 secs Computing kpt #: 143 total cpu time spent up to now is 282.0 secs Computing kpt #: 144 total cpu time spent up to now is 283.9 secs Computing kpt #: 145 total cpu time spent up to now is 285.8 secs Computing kpt #: 146 total cpu time spent up to now is 287.7 secs Computing kpt #: 147 total cpu time spent up to now is 289.8 secs Computing kpt #: 148 total cpu time spent up to now is 291.6 secs Computing kpt #: 149 total cpu time spent up to now is 293.6 secs Computing kpt #: 150 total cpu time spent up to now is 296.6 secs Computing kpt #: 151 total cpu time spent up to now is 299.7 secs Computing kpt #: 152 total cpu time spent up to now is 303.9 secs Computing kpt #: 153 total cpu time spent up to now is 307.7 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.3 secs Computing kpt #: 155 total cpu time spent up to now is 314.5 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 319.0 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.6 secs Computing kpt #: 158 total cpu time spent up to now is 326.6 secs Computing kpt #: 159 total cpu time spent up to now is 328.7 secs Computing kpt #: 160 total cpu time spent up to now is 330.7 secs Computing kpt #: 161 total cpu time spent up to now is 332.8 secs Computing kpt #: 162 total cpu time spent up to now is 334.6 secs Computing kpt #: 163 total cpu time spent up to now is 336.5 secs Computing kpt #: 164 total cpu time spent up to now is 338.3 secs Computing kpt #: 165 total cpu time spent up to now is 340.0 secs Computing kpt #: 166 total cpu time spent up to now is 341.8 secs Computing kpt #: 167 total cpu time spent up to now is 343.5 secs Computing kpt #: 168 total cpu time spent up to now is 345.2 secs Computing kpt #: 169 total cpu time spent up to now is 346.7 secs Computing kpt #: 170 total cpu time spent up to now is 348.2 secs Computing kpt #: 171 total cpu time spent up to now is 349.7 secs Computing kpt #: 172 total cpu time spent up to now is 351.2 secs Computing kpt #: 173 total cpu time spent up to now is 352.7 secs Computing kpt #: 174 total cpu time spent up to now is 354.5 secs Computing kpt #: 175 total cpu time spent up to now is 356.2 secs Computing kpt #: 176 total cpu time spent up to now is 357.9 secs Computing kpt #: 177 total cpu time spent up to now is 359.7 secs Computing kpt #: 178 total cpu time spent up to now is 361.6 secs Computing kpt #: 179 total cpu time spent up to now is 363.8 secs Computing kpt #: 180 total cpu time spent up to now is 366.7 secs Computing kpt #: 181 total cpu time spent up to now is 368.5 secs Computing kpt #: 182 total cpu time spent up to now is 370.3 secs Computing kpt #: 183 total cpu time spent up to now is 372.1 secs Computing kpt #: 184 total cpu time spent up to now is 373.8 secs Computing kpt #: 185 total cpu time spent up to now is 375.7 secs Computing kpt #: 186 total cpu time spent up to now is 377.4 secs Computing kpt #: 187 total cpu time spent up to now is 379.4 secs Computing kpt #: 188 total cpu time spent up to now is 381.3 secs Computing kpt #: 189 total cpu time spent up to now is 383.2 secs Computing kpt #: 190 total cpu time spent up to now is 385.1 secs Computing kpt #: 191 total cpu time spent up to now is 387.0 secs Computing kpt #: 192 total cpu time spent up to now is 388.9 secs Computing kpt #: 193 total cpu time spent up to now is 390.8 secs Computing kpt #: 194 total cpu time spent up to now is 392.7 secs Computing kpt #: 195 total cpu time spent up to now is 394.5 secs Computing kpt #: 196 total cpu time spent up to now is 396.4 secs Computing kpt #: 197 total cpu time spent up to now is 401.7 secs Computing kpt #: 198 total cpu time spent up to now is 405.0 secs Computing kpt #: 199 total cpu time spent up to now is 408.2 secs Computing kpt #: 200 total cpu time spent up to now is 413.5 secs Computing kpt #: 201 total cpu time spent up to now is 417.7 secs Computing kpt #: 202 total cpu time spent up to now is 421.6 secs Computing kpt #: 203 total cpu time spent up to now is 425.1 secs Computing kpt #: 204 total cpu time spent up to now is 428.8 secs Computing kpt #: 205 total cpu time spent up to now is 431.3 secs Computing kpt #: 206 total cpu time spent up to now is 434.9 secs Computing kpt #: 207 total cpu time spent up to now is 437.0 secs Computing kpt #: 208 total cpu time spent up to now is 438.8 secs Computing kpt #: 209 total cpu time spent up to now is 440.6 secs Computing kpt #: 210 total cpu time spent up to now is 443.0 secs Computing kpt #: 211 total cpu time spent up to now is 445.0 secs Computing kpt #: 212 total cpu time spent up to now is 447.0 secs Computing kpt #: 213 total cpu time spent up to now is 449.0 secs Computing kpt #: 214 total cpu time spent up to now is 450.9 secs Computing kpt #: 215 total cpu time spent up to now is 452.9 secs Computing kpt #: 216 total cpu time spent up to now is 455.4 secs Computing kpt #: 217 total cpu time spent up to now is 457.7 secs Computing kpt #: 218 total cpu time spent up to now is 459.6 secs Computing kpt #: 219 total cpu time spent up to now is 461.5 secs Computing kpt #: 220 total cpu time spent up to now is 463.5 secs Computing kpt #: 221 total cpu time spent up to now is 465.4 secs Computing kpt #: 222 total cpu time spent up to now is 467.3 secs Computing kpt #: 223 total cpu time spent up to now is 469.1 secs Computing kpt #: 224 total cpu time spent up to now is 471.0 secs Computing kpt #: 225 total cpu time spent up to now is 472.8 secs Computing kpt #: 226 total cpu time spent up to now is 474.4 secs Computing kpt #: 227 total cpu time spent up to now is 475.9 secs Computing kpt #: 228 total cpu time spent up to now is 477.4 secs Computing kpt #: 229 total cpu time spent up to now is 478.9 secs Computing kpt #: 230 total cpu time spent up to now is 480.4 secs Computing kpt #: 231 total cpu time spent up to now is 481.9 secs Computing kpt #: 232 total cpu time spent up to now is 483.4 secs Computing kpt #: 233 total cpu time spent up to now is 485.1 secs Computing kpt #: 234 total cpu time spent up to now is 486.9 secs Computing kpt #: 235 total cpu time spent up to now is 488.8 secs Computing kpt #: 236 total cpu time spent up to now is 490.8 secs Computing kpt #: 237 total cpu time spent up to now is 492.7 secs Computing kpt #: 238 total cpu time spent up to now is 494.7 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.6 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.5 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 242 total cpu time spent up to now is 514.2 secs Computing kpt #: 243 total cpu time spent up to now is 517.3 secs Computing kpt #: 244 total cpu time spent up to now is 519.9 secs Computing kpt #: 245 total cpu time spent up to now is 522.5 secs Computing kpt #: 246 total cpu time spent up to now is 525.6 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 530.2 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 534.8 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.6 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.2 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.0 secs Computing kpt #: 252 total cpu time spent up to now is 552.1 secs ethr = 2.08E-08, avg # of iterations = 36.7 total cpu time spent up to now is 552.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19917 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6386 -1.6386 -1.5435 -1.5435 -0.2132 -0.2132 0.1308 0.1308 0.1325 0.1325 0.2459 0.2459 0.4150 0.4150 1.2532 1.2532 2.8167 2.8167 k = 0.0200-0.0000-0.0000 ( 19913 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6388 -1.6388 -1.5439 -1.5439 -0.2129 -0.2129 0.1279 0.1279 0.1303 0.1303 0.2396 0.2396 0.4254 0.4254 1.2563 1.2563 2.8085 2.8085 k = 0.0400-0.0000-0.0000 ( 19911 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6601 -9.6601 -9.6538 -9.6538 -1.6393 -1.6393 -1.5451 -1.5451 -0.2120 -0.2120 0.1189 0.1189 0.1240 0.1240 0.2257 0.2257 0.4523 0.4523 1.2657 1.2657 2.7977 2.7977 k = 0.0600-0.0000-0.0000 ( 19923 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6600 -9.6600 -9.6537 -9.6537 -1.6401 -1.6401 -1.5471 -1.5471 -0.2106 -0.2106 0.1027 0.1027 0.1136 0.1136 0.2121 0.2121 0.4889 0.4889 1.2810 1.2810 2.7856 2.7856 k = 0.0800-0.0000-0.0000 ( 19927 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8657 -12.8657 -12.8653 -12.8653 -12.8285 -12.8285 -12.8282 -12.8282 -9.6598 -9.6598 -9.6535 -9.6535 -1.6413 -1.6413 -1.5498 -1.5498 -0.2086 -0.2086 0.0798 0.0798 0.0999 0.0999 0.2024 0.2024 0.5310 0.5310 1.3019 1.3019 2.7714 2.7714 k = 0.1000-0.0000-0.0000 ( 19911 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8658 -12.8658 -12.8653 -12.8653 -12.8285 -12.8285 -12.8282 -12.8282 -9.6595 -9.6595 -9.6533 -9.6533 -1.6428 -1.6428 -1.5532 -1.5532 -0.2060 -0.2060 0.0522 0.0522 0.0832 0.0832 0.1966 0.1966 0.5765 0.5765 1.3279 1.3279 2.7547 2.7547 k = 0.1200-0.0000-0.0000 ( 19907 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8658 -12.8658 -12.8653 -12.8653 -12.8285 -12.8285 -12.8283 -12.8283 -9.6593 -9.6593 -9.6530 -9.6530 -1.6446 -1.6446 -1.5573 -1.5573 -0.2030 -0.2030 0.0223 0.0223 0.0643 0.0643 0.1934 0.1934 0.6247 0.6247 1.3588 1.3588 2.7353 2.7353 k = 0.1400-0.0000-0.0000 ( 19905 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8658 -12.8658 -12.8654 -12.8654 -12.8285 -12.8285 -12.8283 -12.8283 -9.6590 -9.6590 -9.6527 -9.6527 -1.6467 -1.6467 -1.5620 -1.5620 -0.1996 -0.1996 -0.0082 -0.0082 0.0438 0.0438 0.1918 0.1918 0.6747 0.6747 1.3939 1.3939 2.7134 2.7134 k = 0.1600-0.0000-0.0000 ( 19897 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8658 -12.8658 -12.8654 -12.8654 -12.8286 -12.8286 -12.8283 -12.8283 -9.6586 -9.6586 -9.6524 -9.6524 -1.6490 -1.6490 -1.5672 -1.5672 -0.1959 -0.1959 -0.0384 -0.0384 0.0222 0.0222 0.1911 0.1911 0.7265 0.7265 1.4330 1.4330 2.6892 2.6892 k = 0.1800-0.0000-0.0000 ( 19893 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7306 -13.7306 -12.8659 -12.8659 -12.8654 -12.8654 -12.8286 -12.8286 -12.8284 -12.8284 -9.6582 -9.6582 -9.6521 -9.6521 -1.6516 -1.6516 -1.5729 -1.5729 -0.1919 -0.1919 -0.0677 -0.0677 0.0002 0.0002 0.1911 0.1911 0.7799 0.7799 1.4757 1.4757 2.6631 2.6631 k = 0.2000-0.0000-0.0000 ( 19875 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7306 -13.7306 -12.8659 -12.8659 -12.8655 -12.8655 -12.8286 -12.8286 -12.8284 -12.8284 -9.6578 -9.6578 -9.6517 -9.6517 -1.6544 -1.6544 -1.5791 -1.5791 -0.1879 -0.1879 -0.0958 -0.0958 -0.0216 -0.0216 0.1915 0.1915 0.8346 0.8346 1.5217 1.5217 2.6355 2.6355 k = 0.2200-0.0000-0.0000 ( 19875 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7307 -13.7307 -12.8659 -12.8659 -12.8655 -12.8655 -12.8286 -12.8286 -12.8284 -12.8284 -9.6574 -9.6574 -9.6513 -9.6513 -1.6574 -1.6574 -1.5855 -1.5855 -0.1841 -0.1841 -0.1223 -0.1223 -0.0428 -0.0428 0.1922 0.1922 0.8908 0.8908 1.5708 1.5708 2.6069 2.6069 k = 0.2400-0.0000-0.0000 ( 19873 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7307 -13.7307 -12.8660 -12.8660 -12.8656 -12.8656 -12.8287 -12.8287 -12.8285 -12.8285 -9.6570 -9.6570 -9.6509 -9.6509 -1.6605 -1.6605 -1.5921 -1.5921 -0.1808 -0.1808 -0.1469 -0.1469 -0.0627 -0.0627 0.1930 0.1930 0.9483 0.9483 1.6228 1.6228 2.5776 2.5776 k = 0.2600-0.0000-0.0000 ( 19873 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7307 -13.7307 -12.8660 -12.8660 -12.8656 -12.8656 -12.8287 -12.8287 -12.8285 -12.8285 -9.6566 -9.6566 -9.6505 -9.6505 -1.6636 -1.6636 -1.5989 -1.5989 -0.1798 -0.1798 -0.1685 -0.1685 -0.0807 -0.0807 0.1939 0.1939 1.0072 1.0072 1.6774 1.6774 2.5481 2.5481 k = 0.2800-0.0000-0.0000 ( 19877 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7308 -13.7308 -12.8661 -12.8661 -12.8657 -12.8657 -12.8287 -12.8287 -12.8286 -12.8286 -9.6561 -9.6561 -9.6501 -9.6501 -1.6669 -1.6669 -1.6056 -1.6056 -0.1933 -0.1933 -0.1752 -0.1752 -0.0958 -0.0958 0.1949 0.1949 1.0673 1.0673 1.7346 1.7346 2.5190 2.5190 k = 0.3000-0.0000-0.0000 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7308 -13.7308 -12.8661 -12.8661 -12.8657 -12.8657 -12.8288 -12.8288 -12.8286 -12.8286 -9.6557 -9.6557 -9.6497 -9.6497 -1.6700 -1.6700 -1.6122 -1.6122 -0.2121 -0.2121 -0.1773 -0.1773 -0.1072 -0.1072 0.1958 0.1958 1.1288 1.1288 1.7940 1.7940 2.4906 2.4906 k = 0.3200-0.0000-0.0000 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7308 -13.7308 -12.8661 -12.8661 -12.8658 -12.8658 -12.8288 -12.8288 -12.8286 -12.8286 -9.6553 -9.6553 -9.6494 -9.6494 -1.6732 -1.6732 -1.6186 -1.6186 -0.2295 -0.2295 -0.1820 -0.1820 -0.1141 -0.1141 0.1967 0.1967 1.1914 1.1914 1.8553 1.8553 2.4632 2.4632 k = 0.3400-0.0000-0.0000 ( 19890 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7309 -13.7309 -12.8662 -12.8662 -12.8658 -12.8658 -12.8288 -12.8288 -12.8287 -12.8287 -9.6549 -9.6549 -9.6490 -9.6490 -1.6761 -1.6761 -1.6247 -1.6247 -0.2451 -0.2451 -0.1893 -0.1893 -0.1169 -0.1169 0.1976 0.1976 1.2551 1.2551 1.9180 1.9180 2.4370 2.4370 k = 0.3600-0.0000-0.0000 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7309 -13.7309 -12.8662 -12.8662 -12.8659 -12.8659 -12.8289 -12.8289 -12.8287 -12.8287 -9.6546 -9.6546 -9.6487 -9.6487 -1.6789 -1.6789 -1.6303 -1.6303 -0.2588 -0.2588 -0.1980 -0.1980 -0.1170 -0.1170 0.1984 0.1984 1.3196 1.3196 1.9810 1.9810 2.4114 2.4114 k = 0.3800-0.0000-0.0000 ( 19902 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7309 -13.7309 -12.8662 -12.8662 -12.8659 -12.8659 -12.8289 -12.8289 -12.8287 -12.8287 -9.6543 -9.6543 -9.6484 -9.6484 -1.6815 -1.6815 -1.6354 -1.6354 -0.2707 -0.2707 -0.2068 -0.2068 -0.1156 -0.1156 0.1990 0.1990 1.3848 1.3848 2.0417 2.0417 2.3836 2.3836 k = 0.4000-0.0000-0.0000 ( 19886 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7309 -13.7309 -12.8662 -12.8662 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6540 -9.6540 -9.6482 -9.6482 -1.6837 -1.6837 -1.6399 -1.6399 -0.2807 -0.2807 -0.2150 -0.2150 -0.1136 -0.1136 0.1996 0.1996 1.4501 1.4501 2.0929 2.0929 2.3498 2.3498 k = 0.4200-0.0000-0.0000 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6538 -9.6538 -9.6479 -9.6479 -1.6856 -1.6856 -1.6437 -1.6437 -0.2888 -0.2888 -0.2220 -0.2220 -0.1115 -0.1115 0.2001 0.2001 1.5145 1.5145 2.1164 2.1164 2.3333 2.3333 k = 0.4400-0.0000-0.0000 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6536 -9.6536 -9.6478 -9.6478 -1.6871 -1.6871 -1.6467 -1.6467 -0.2951 -0.2951 -0.2277 -0.2277 -0.1096 -0.1096 0.2004 0.2004 1.5764 1.5764 2.0974 2.0974 2.3552 2.3552 k = 0.4600-0.0000-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6535 -9.6535 -9.6477 -9.6477 -1.6882 -1.6882 -1.6489 -1.6489 -0.2996 -0.2996 -0.2318 -0.2318 -0.1081 -0.1081 0.2007 0.2007 1.6323 1.6323 2.0565 2.0565 2.3488 2.3488 k = 0.4800-0.0000-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6534 -9.6534 -9.6476 -9.6476 -1.6889 -1.6889 -1.6503 -1.6503 -0.3023 -0.3023 -0.2343 -0.2343 -0.1072 -0.1072 0.2008 0.2008 1.6749 1.6749 2.0187 2.0187 2.3433 2.3433 k = 0.5000-0.0000-0.0000 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6891 -1.6891 -1.6507 -1.6507 -0.3032 -0.3032 -0.2351 -0.2351 -0.1068 -0.1068 0.2009 0.2009 1.6918 1.6918 2.0030 2.0030 2.3415 2.3415 k = 0.5000-0.0000-0.0000 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6891 -1.6891 -1.6507 -1.6507 -0.3032 -0.3032 -0.2351 -0.2351 -0.1068 -0.1068 0.2009 0.2009 1.6918 1.6918 2.0030 2.0030 2.3415 2.3415 k = 0.5000 0.0203-0.0000 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6891 -1.6891 -1.6506 -1.6506 -0.3032 -0.3032 -0.2343 -0.2343 -0.1071 -0.1071 0.1999 0.1999 1.6941 1.6941 2.0014 2.0014 2.3419 2.3419 k = 0.5000 0.0406-0.0000 ( 19846 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8290 -12.8290 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6889 -1.6889 -1.6505 -1.6505 -0.3033 -0.3033 -0.2320 -0.2320 -0.1079 -0.1079 0.1969 0.1969 1.7008 1.7008 1.9965 1.9965 2.3432 2.3432 k = 0.5000 0.0609-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8290 -12.8290 -12.8288 -12.8288 -9.6532 -9.6532 -9.6476 -9.6476 -1.6887 -1.6887 -1.6501 -1.6501 -0.3032 -0.3032 -0.2283 -0.2283 -0.1090 -0.1090 0.1920 0.1920 1.7114 1.7114 1.9885 1.9885 2.3454 2.3454 k = 0.5000 0.0812-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8290 -12.8290 -12.8288 -12.8288 -9.6531 -9.6531 -9.6476 -9.6476 -1.6883 -1.6883 -1.6498 -1.6498 -0.3030 -0.3030 -0.2233 -0.2233 -0.1105 -0.1105 0.1853 0.1853 1.7251 1.7251 1.9777 1.9777 2.3485 2.3485 k = 0.5000 0.1015-0.0000 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8291 -12.8291 -12.8288 -12.8288 -9.6530 -9.6530 -9.6476 -9.6476 -1.6879 -1.6879 -1.6493 -1.6493 -0.3023 -0.3023 -0.2175 -0.2175 -0.1122 -0.1122 0.1771 0.1771 1.7405 1.7405 1.9641 1.9641 2.3528 2.3528 k = 0.5000 0.1218-0.0000 ( 19878 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8291 -12.8291 -12.8288 -12.8288 -9.6529 -9.6529 -9.6477 -9.6477 -1.6873 -1.6873 -1.6489 -1.6489 -0.3012 -0.3012 -0.2110 -0.2110 -0.1138 -0.1138 0.1676 0.1676 1.7559 1.7559 1.9484 1.9484 2.3582 2.3582 k = 0.5000 0.1421-0.0000 ( 19874 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8291 -12.8291 -12.8288 -12.8288 -9.6527 -9.6527 -9.6477 -9.6477 -1.6865 -1.6865 -1.6485 -1.6485 -0.2995 -0.2995 -0.2042 -0.2042 -0.1151 -0.1151 0.1569 0.1569 1.7690 1.7690 1.9308 1.9308 2.3649 2.3649 k = 0.5000 0.1624-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8292 -12.8292 -12.8288 -12.8288 -9.6526 -9.6526 -9.6478 -9.6478 -1.6856 -1.6856 -1.6482 -1.6482 -0.2971 -0.2971 -0.1976 -0.1976 -0.1156 -0.1156 0.1454 0.1454 1.7770 1.7770 1.9116 1.9116 2.3589 2.3589 k = 0.5000 0.1828-0.0000 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8660 -12.8660 -12.8292 -12.8292 -12.8289 -12.8289 -9.6524 -9.6524 -9.6478 -9.6478 -1.6846 -1.6846 -1.6481 -1.6481 -0.2940 -0.2940 -0.1917 -0.1917 -0.1150 -0.1150 0.1333 0.1333 1.7779 1.7779 1.8908 1.8908 2.3476 2.3476 k = 0.5000 0.2031-0.0000 ( 19874 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8660 -12.8660 -12.8292 -12.8292 -12.8289 -12.8289 -9.6522 -9.6522 -9.6479 -9.6479 -1.6833 -1.6833 -1.6481 -1.6481 -0.2901 -0.2901 -0.1870 -0.1870 -0.1128 -0.1128 0.1207 0.1207 1.7712 1.7712 1.8678 1.8678 2.3513 2.3513 k = 0.5000 0.2234-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8289 -12.8289 -9.6519 -9.6519 -9.6480 -9.6480 -1.6820 -1.6820 -1.6483 -1.6483 -0.2856 -0.2856 -0.1840 -0.1840 -0.1087 -0.1087 0.1078 0.1078 1.7580 1.7580 1.8422 1.8422 2.3700 2.3700 k = 0.5000 0.2437-0.0000 ( 19850 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8290 -12.8290 -9.6517 -9.6517 -9.6481 -9.6481 -1.6804 -1.6804 -1.6487 -1.6487 -0.2803 -0.2803 -0.1827 -0.1827 -0.1026 -0.1026 0.0949 0.0949 1.7406 1.7406 1.8142 1.8142 2.4021 2.4021 k = 0.5000 0.2640-0.0000 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8290 -12.8290 -9.6515 -9.6515 -9.6482 -9.6482 -1.6787 -1.6787 -1.6494 -1.6494 -0.2745 -0.2745 -0.1830 -0.1830 -0.0949 -0.0949 0.0820 0.0820 1.7209 1.7209 1.7849 1.7849 2.4379 2.4379 k = 0.5000 0.2843-0.0000 ( 19826 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8290 -12.8290 -9.6512 -9.6512 -9.6483 -9.6483 -1.6769 -1.6769 -1.6503 -1.6503 -0.2681 -0.2681 -0.1846 -0.1846 -0.0859 -0.0859 0.0693 0.0693 1.7008 1.7008 1.7556 1.7556 2.4580 2.4580 k = 0.5000 0.3046-0.0000 ( 19832 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8291 -12.8291 -9.6510 -9.6510 -9.6485 -9.6485 -1.6750 -1.6750 -1.6514 -1.6514 -0.2612 -0.2612 -0.1873 -0.1873 -0.0761 -0.0761 0.0568 0.0568 1.6815 1.6815 1.7277 1.7277 2.4790 2.4790 k = 0.5000 0.3249-0.0000 ( 19844 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8660 -12.8660 -12.8293 -12.8293 -12.8291 -12.8291 -9.6507 -9.6507 -9.6486 -9.6486 -1.6729 -1.6729 -1.6527 -1.6527 -0.2540 -0.2540 -0.1909 -0.1909 -0.0658 -0.0658 0.0446 0.0446 1.6641 1.6641 1.7021 1.7021 2.5019 2.5019 k = 0.5000 0.3452-0.0000 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8660 -12.8660 -12.8293 -12.8293 -12.8292 -12.8292 -9.6505 -9.6505 -9.6488 -9.6488 -1.6708 -1.6708 -1.6543 -1.6543 -0.2467 -0.2467 -0.1951 -0.1951 -0.0552 -0.0552 0.0327 0.0327 1.6494 1.6494 1.6795 1.6795 2.5269 2.5269 k = 0.5000 0.3655-0.0000 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8292 -12.8292 -9.6502 -9.6502 -9.6489 -9.6489 -1.6686 -1.6686 -1.6560 -1.6560 -0.2392 -0.2392 -0.2000 -0.2000 -0.0446 -0.0446 0.0211 0.0211 1.6382 1.6382 1.6606 1.6606 2.5540 2.5540 k = 0.5000 0.3858-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8292 -12.8292 -9.6500 -9.6500 -9.6491 -9.6491 -1.6664 -1.6664 -1.6579 -1.6579 -0.2319 -0.2319 -0.2054 -0.2054 -0.0338 -0.0338 0.0098 0.0098 1.6309 1.6309 1.6458 1.6458 2.5832 2.5832 k = 0.5000 0.4061-0.0000 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6498 -9.6498 -9.6493 -9.6493 -1.6642 -1.6642 -1.6599 -1.6599 -0.2247 -0.2247 -0.2114 -0.2114 -0.0230 -0.0230 -0.0013 -0.0013 1.6278 1.6278 1.6353 1.6353 2.6145 2.6145 k = 0.5000 0.4264-0.0000 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6620 -1.6620 -1.6620 -1.6620 -0.2179 -0.2179 -0.2179 -0.2179 -0.0122 -0.0122 -0.0122 -0.0122 1.6293 1.6293 1.6293 1.6293 2.6478 2.6478 k = 0.5000 0.4264-0.0000 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6620 -1.6620 -1.6620 -1.6620 -0.2179 -0.2179 -0.2179 -0.2179 -0.0122 -0.0122 -0.0122 -0.0122 1.6293 1.6293 1.6293 1.6293 2.6478 2.6478 k = 0.4800 0.4264-0.0000 ( 19844 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6496 -9.6496 -9.6496 -9.6496 -1.6619 -1.6619 -1.6619 -1.6619 -0.2179 -0.2179 -0.2179 -0.2179 -0.0126 -0.0126 -0.0126 -0.0126 1.6306 1.6306 1.6306 1.6306 2.6487 2.6487 k = 0.4600 0.4264-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6496 -9.6496 -9.6496 -9.6496 -1.6617 -1.6617 -1.6617 -1.6617 -0.2179 -0.2179 -0.2179 -0.2179 -0.0135 -0.0135 -0.0135 -0.0135 1.6347 1.6347 1.6347 1.6347 2.6511 2.6511 k = 0.4400 0.4264-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6497 -9.6497 -9.6497 -9.6497 -1.6612 -1.6612 -1.6612 -1.6612 -0.2180 -0.2180 -0.2180 -0.2180 -0.0150 -0.0150 -0.0150 -0.0150 1.6412 1.6412 1.6412 1.6412 2.6551 2.6551 k = 0.4200 0.4264-0.0000 ( 19868 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8293 -12.8293 -12.8293 -12.8293 -9.6498 -9.6498 -9.6498 -9.6498 -1.6606 -1.6606 -1.6606 -1.6606 -0.2183 -0.2183 -0.2183 -0.2183 -0.0166 -0.0166 -0.0166 -0.0166 1.6498 1.6498 1.6498 1.6498 2.6607 2.6607 k = 0.4000 0.4264-0.0000 ( 19872 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6500 -9.6500 -9.6500 -9.6500 -1.6598 -1.6598 -1.6598 -1.6598 -0.2190 -0.2190 -0.2190 -0.2190 -0.0181 -0.0181 -0.0181 -0.0181 1.6602 1.6602 1.6602 1.6602 2.6678 2.6678 k = 0.3800 0.4264-0.0000 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6502 -9.6502 -9.6502 -9.6502 -1.6589 -1.6589 -1.6589 -1.6589 -0.2204 -0.2204 -0.2204 -0.2204 -0.0191 -0.0191 -0.0191 -0.0191 1.6719 1.6719 1.6719 1.6719 2.6763 2.6763 k = 0.3600 0.4264-0.0000 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6504 -9.6504 -9.6504 -9.6504 -1.6579 -1.6579 -1.6579 -1.6579 -0.2224 -0.2224 -0.2224 -0.2224 -0.0191 -0.0191 -0.0191 -0.0191 1.6842 1.6842 1.6842 1.6842 2.6863 2.6863 k = 0.3400 0.4264-0.0000 ( 19878 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8659 -12.8659 -12.8659 -12.8659 -12.8292 -12.8292 -12.8292 -12.8292 -9.6506 -9.6506 -9.6506 -9.6506 -1.6569 -1.6569 -1.6569 -1.6569 -0.2255 -0.2255 -0.2255 -0.2255 -0.0177 -0.0177 -0.0177 -0.0177 1.6966 1.6966 1.6966 1.6966 2.6976 2.6976 k = 0.3200 0.4264-0.0000 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8659 -12.8659 -12.8659 -12.8659 -12.8292 -12.8292 -12.8292 -12.8292 -9.6509 -9.6509 -9.6509 -9.6509 -1.6559 -1.6559 -1.6559 -1.6559 -0.2296 -0.2296 -0.2296 -0.2296 -0.0147 -0.0147 -0.0147 -0.0147 1.7085 1.7085 1.7085 1.7085 2.7100 2.7100 k = 0.3000 0.4264-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8659 -12.8659 -12.8659 -12.8659 -12.8291 -12.8291 -12.8291 -12.8291 -9.6511 -9.6511 -9.6511 -9.6511 -1.6549 -1.6549 -1.6549 -1.6549 -0.2347 -0.2347 -0.2347 -0.2347 -0.0099 -0.0099 -0.0099 -0.0099 1.7194 1.7194 1.7194 1.7194 2.7233 2.7233 k = 0.2800 0.4264-0.0000 ( 19872 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8658 -12.8658 -12.8658 -12.8658 -12.8291 -12.8291 -12.8291 -12.8291 -9.6514 -9.6514 -9.6514 -9.6514 -1.6539 -1.6539 -1.6539 -1.6539 -0.2409 -0.2409 -0.2409 -0.2409 -0.0032 -0.0032 -0.0032 -0.0032 1.7288 1.7288 1.7288 1.7288 2.7371 2.7371 k = 0.2600 0.4264-0.0000 ( 19886 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8658 -12.8658 -12.8658 -12.8658 -12.8291 -12.8291 -12.8291 -12.8291 -9.6517 -9.6517 -9.6517 -9.6517 -1.6530 -1.6530 -1.6530 -1.6530 -0.2478 -0.2478 -0.2478 -0.2478 0.0054 0.0054 0.0054 0.0054 1.7363 1.7363 1.7363 1.7363 2.7508 2.7508 k = 0.2400 0.4264-0.0000 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8657 -12.8657 -12.8657 -12.8657 -12.8291 -12.8291 -12.8291 -12.8291 -9.6520 -9.6520 -9.6520 -9.6520 -1.6522 -1.6522 -1.6522 -1.6522 -0.2553 -0.2553 -0.2553 -0.2553 0.0155 0.0155 0.0155 0.0155 1.7416 1.7416 1.7416 1.7416 2.7636 2.7636 k = 0.2200 0.4264-0.0000 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8657 -12.8657 -12.8657 -12.8657 -12.8290 -12.8290 -12.8290 -12.8290 -9.6523 -9.6523 -9.6523 -9.6523 -1.6514 -1.6514 -1.6514 -1.6514 -0.2632 -0.2632 -0.2632 -0.2632 0.0270 0.0270 0.0270 0.0270 1.7446 1.7446 1.7446 1.7446 2.7744 2.7744 k = 0.2000 0.4264-0.0000 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8656 -12.8656 -12.8656 -12.8656 -12.8290 -12.8290 -12.8290 -12.8290 -9.6525 -9.6525 -9.6525 -9.6525 -1.6508 -1.6508 -1.6508 -1.6508 -0.2711 -0.2711 -0.2711 -0.2711 0.0395 0.0395 0.0395 0.0395 1.7454 1.7454 1.7454 1.7454 2.7817 2.7817 k = 0.1800 0.4264-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8656 -12.8656 -12.8656 -12.8656 -12.8290 -12.8290 -12.8290 -12.8290 -9.6528 -9.6528 -9.6528 -9.6528 -1.6503 -1.6503 -1.6503 -1.6503 -0.2789 -0.2789 -0.2789 -0.2789 0.0526 0.0526 0.0526 0.0526 1.7441 1.7441 1.7441 1.7441 2.7838 2.7838 k = 0.1600 0.4264-0.0000 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8656 -12.8656 -12.8656 -12.8656 -12.8290 -12.8290 -12.8290 -12.8290 -9.6531 -9.6531 -9.6531 -9.6531 -1.6499 -1.6499 -1.6499 -1.6499 -0.2864 -0.2864 -0.2864 -0.2864 0.0661 0.0661 0.0661 0.0661 1.7411 1.7411 1.7411 1.7411 2.7800 2.7800 k = 0.1400 0.4264-0.0000 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6533 -9.6533 -9.6533 -9.6533 -1.6496 -1.6496 -1.6496 -1.6496 -0.2934 -0.2934 -0.2934 -0.2934 0.0793 0.0793 0.0793 0.0793 1.7367 1.7367 1.7367 1.7367 2.7708 2.7708 k = 0.1200 0.4264-0.0000 ( 19874 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6535 -9.6535 -9.6535 -9.6535 -1.6493 -1.6493 -1.6493 -1.6493 -0.2997 -0.2997 -0.2997 -0.2997 0.0920 0.0920 0.0920 0.0920 1.7313 1.7313 1.7313 1.7313 2.7583 2.7583 k = 0.1000 0.4264-0.0000 ( 19868 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6537 -9.6537 -9.6537 -9.6537 -1.6491 -1.6491 -1.6491 -1.6491 -0.3052 -0.3052 -0.3052 -0.3052 0.1037 0.1037 0.1037 0.1037 1.7256 1.7256 1.7256 1.7256 2.7447 2.7447 k = 0.0800 0.4264-0.0000 ( 19856 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6538 -9.6538 -9.6538 -9.6538 -1.6490 -1.6490 -1.6490 -1.6490 -0.3099 -0.3099 -0.3099 -0.3099 0.1140 0.1140 0.1140 0.1140 1.7200 1.7200 1.7200 1.7200 2.7318 2.7318 k = 0.0600 0.4264-0.0000 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6539 -9.6539 -9.6539 -9.6539 -1.6489 -1.6489 -1.6489 -1.6489 -0.3136 -0.3136 -0.3136 -0.3136 0.1224 0.1224 0.1224 0.1224 1.7150 1.7150 1.7150 1.7150 2.7207 2.7207 k = 0.0400 0.4264-0.0000 ( 19826 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6540 -9.6540 -9.6540 -9.6540 -1.6489 -1.6489 -1.6489 -1.6489 -0.3162 -0.3162 -0.3162 -0.3162 0.1286 0.1286 0.1286 0.1286 1.7111 1.7111 1.7111 1.7111 2.7123 2.7123 k = 0.0200 0.4264-0.0000 ( 19824 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6489 -1.6489 -1.6489 -1.6489 -0.3179 -0.3179 -0.3179 -0.3179 0.1325 0.1325 0.1325 0.1325 1.7086 1.7086 1.7086 1.7086 2.7071 2.7071 k = 0.0000 0.4264-0.0000 ( 19824 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6489 -1.6489 -1.6489 -1.6489 -0.3184 -0.3184 -0.3184 -0.3184 0.1338 0.1338 0.1338 0.1338 1.7078 1.7078 1.7078 1.7078 2.7053 2.7053 k = 0.0000 0.4264-0.0000 ( 19824 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6489 -1.6489 -1.6489 -1.6489 -0.3184 -0.3184 -0.3184 -0.3184 0.1338 0.1338 0.1338 0.1338 1.7078 1.7078 1.7078 1.7078 2.7053 2.7053 k = 0.0000 0.4061-0.0000 ( 19830 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6544 -9.6544 -9.6539 -9.6539 -1.6516 -1.6516 -1.6454 -1.6454 -0.3225 -0.3225 -0.3126 -0.3126 0.1270 0.1270 0.1409 0.1409 1.6382 1.6382 1.7748 1.7748 2.6429 2.6429 k = 0.0000 0.3858-0.0000 ( 19830 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6546 -9.6546 -9.6537 -9.6537 -1.6537 -1.6537 -1.6414 -1.6414 -0.3248 -0.3248 -0.3050 -0.3050 0.1207 0.1207 0.1482 0.1482 1.5670 1.5670 1.8378 1.8378 2.5752 2.5752 k = 0.0000 0.3655-0.0000 ( 19848 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6550 -9.6550 -9.6535 -9.6535 -1.6552 -1.6552 -1.6367 -1.6367 -0.3254 -0.3254 -0.2955 -0.2955 0.1147 0.1147 0.1557 0.1557 1.4948 1.4948 1.8942 1.8942 2.5080 2.5080 k = 0.0000 0.3452-0.0000 ( 19873 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8287 -12.8287 -9.6553 -9.6553 -9.6534 -9.6534 -1.6561 -1.6561 -1.6314 -1.6314 -0.3243 -0.3243 -0.2842 -0.2842 0.1094 0.1094 0.1633 0.1633 1.4221 1.4221 1.9394 1.9394 2.4477 2.4477 k = 0.0000 0.3249-0.0000 ( 19877 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8655 -12.8655 -12.8653 -12.8653 -12.8289 -12.8289 -12.8287 -12.8287 -9.6557 -9.6557 -9.6533 -9.6533 -1.6564 -1.6564 -1.6256 -1.6256 -0.3217 -0.3217 -0.2711 -0.2711 0.1047 0.1047 0.1709 0.1709 1.3491 1.3491 1.9660 1.9660 2.4034 2.4034 k = 0.0000 0.3046-0.0000 ( 19875 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8655 -12.8655 -12.8653 -12.8653 -12.8289 -12.8289 -12.8286 -12.8286 -9.6560 -9.6560 -9.6533 -9.6533 -1.6562 -1.6562 -1.6194 -1.6194 -0.3174 -0.3174 -0.2560 -0.2560 0.1007 0.1007 0.1784 0.1784 1.2761 1.2761 1.9651 1.9651 2.3844 2.3844 k = 0.0000 0.2843-0.0000 ( 19885 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8656 -12.8656 -12.8653 -12.8653 -12.8289 -12.8289 -12.8286 -12.8286 -9.6564 -9.6564 -9.6533 -9.6533 -1.6556 -1.6556 -1.6128 -1.6128 -0.3118 -0.3118 -0.2390 -0.2390 0.0976 0.0976 0.1858 0.1858 1.2034 1.2034 1.9349 1.9349 2.3932 2.3932 k = 0.0000 0.2640-0.0000 ( 19877 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8656 -12.8656 -12.8653 -12.8653 -12.8288 -12.8288 -12.8285 -12.8285 -9.6568 -9.6568 -9.6533 -9.6533 -1.6547 -1.6547 -1.6059 -1.6059 -0.3049 -0.3049 -0.2201 -0.2201 0.0954 0.0954 0.1929 0.1929 1.1312 1.1312 1.8832 1.8832 2.4224 2.4224 k = 0.0000 0.2437-0.0000 ( 19881 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8656 -12.8656 -12.8653 -12.8653 -12.8288 -12.8288 -12.8285 -12.8285 -9.6572 -9.6572 -9.6533 -9.6533 -1.6534 -1.6534 -1.5989 -1.5989 -0.2969 -0.2969 -0.1992 -0.1992 0.0942 0.0942 0.1998 0.1998 1.0597 1.0597 1.8197 1.8197 2.4626 2.4626 k = 0.0000 0.2234-0.0000 ( 19865 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8656 -12.8656 -12.8653 -12.8653 -12.8288 -12.8288 -12.8284 -12.8284 -9.6576 -9.6576 -9.6533 -9.6533 -1.6519 -1.6519 -1.5918 -1.5918 -0.2879 -0.2879 -0.1762 -0.1762 0.0942 0.0942 0.2064 0.2064 0.9891 0.9891 1.7509 1.7509 2.5073 2.5073 k = 0.0000 0.2031-0.0000 ( 19871 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8287 -12.8287 -12.8284 -12.8284 -9.6580 -9.6580 -9.6534 -9.6534 -1.6502 -1.6502 -1.5848 -1.5848 -0.2784 -0.2784 -0.1512 -0.1512 0.0953 0.0953 0.2125 0.2125 0.9197 0.9197 1.6809 1.6809 2.5527 2.5527 k = 0.0000 0.1828-0.0000 ( 19887 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8287 -12.8287 -12.8283 -12.8283 -9.6584 -9.6584 -9.6534 -9.6534 -1.6485 -1.6485 -1.5780 -1.5780 -0.2686 -0.2686 -0.1243 -0.1243 0.0976 0.0976 0.2183 0.2183 0.8517 0.8517 1.6120 1.6120 2.5967 2.5967 k = 0.0000 0.1624-0.0000 ( 19881 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8656 -12.8656 -12.8652 -12.8652 -12.8287 -12.8287 -12.8283 -12.8283 -9.6587 -9.6587 -9.6535 -9.6535 -1.6468 -1.6468 -1.5716 -1.5716 -0.2587 -0.2587 -0.0954 -0.0954 0.1012 0.1012 0.2235 0.2235 0.7853 0.7853 1.5459 1.5459 2.6379 2.6379 k = 0.0000 0.1421-0.0000 ( 19889 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8286 -12.8286 -12.8283 -12.8283 -9.6590 -9.6590 -9.6536 -9.6536 -1.6451 -1.6451 -1.5655 -1.5655 -0.2492 -0.2492 -0.0646 -0.0646 0.1058 0.1058 0.2282 0.2282 0.7210 0.7210 1.4840 1.4840 2.6756 2.6756 k = 0.0000 0.1218-0.0000 ( 19873 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8286 -12.8286 -12.8282 -12.8282 -9.6593 -9.6593 -9.6536 -9.6536 -1.6435 -1.6435 -1.5600 -1.5600 -0.2404 -0.2404 -0.0324 -0.0324 0.1113 0.1113 0.2324 0.2324 0.6591 0.6591 1.4274 1.4274 2.7091 2.7091 k = 0.0000 0.1015-0.0000 ( 19911 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8285 -12.8285 -12.8282 -12.8282 -9.6596 -9.6596 -9.6537 -9.6537 -1.6421 -1.6421 -1.5552 -1.5552 -0.2324 -0.2324 0.0010 0.0010 0.1173 0.1173 0.2360 0.2360 0.6002 0.6002 1.3771 1.3771 2.7383 2.7383 k = 0.0000 0.0812-0.0000 ( 19905 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8285 -12.8285 -12.8282 -12.8282 -9.6598 -9.6598 -9.6538 -9.6538 -1.6409 -1.6409 -1.5511 -1.5511 -0.2257 -0.2257 0.0348 0.0348 0.1234 0.1234 0.2390 0.2390 0.5454 0.5454 1.3342 1.3342 2.7629 2.7629 k = 0.0000 0.0609-0.0000 ( 19917 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8285 -12.8285 -12.8282 -12.8282 -9.6600 -9.6600 -9.6538 -9.6538 -1.6399 -1.6399 -1.5478 -1.5478 -0.2203 -0.2203 0.0676 0.0676 0.1289 0.1289 0.2416 0.2416 0.4959 0.4959 1.2995 1.2995 2.7830 2.7830 k = 0.0000 0.0406-0.0000 ( 19917 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6601 -9.6601 -9.6539 -9.6539 -1.6392 -1.6392 -1.5455 -1.5455 -0.2164 -0.2164 0.0971 0.0971 0.1330 0.1330 0.2437 0.2437 0.4546 0.4546 1.2740 1.2740 2.7989 2.7989 k = 0.0000 0.0203-0.0000 ( 19923 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6388 -1.6388 -1.5440 -1.5440 -0.2140 -0.2140 0.1194 0.1194 0.1348 0.1348 0.2453 0.2453 0.4257 0.4257 1.2585 1.2585 2.8106 2.8106 k = 0.0000 0.0000 0.0000 ( 19917 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6386 -1.6386 -1.5435 -1.5435 -0.2132 -0.2132 0.1308 0.1308 0.1325 0.1325 0.2459 0.2459 0.4150 0.4150 1.2532 1.2532 2.8167 2.8167 k = 0.0000 0.0000 0.0000 ( 19917 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6386 -1.6386 -1.5435 -1.5435 -0.2132 -0.2132 0.1308 0.1308 0.1325 0.1325 0.2459 0.2459 0.4150 0.4150 1.2532 1.2532 2.8167 2.8167 k = 0.0000 0.0000 0.0207 ( 19921 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6602 -9.6602 -9.6539 -9.6539 -1.6384 -1.6384 -1.5439 -1.5439 -0.2128 -0.2128 0.1276 0.1276 0.1343 0.1343 0.2388 0.2388 0.4249 0.4249 1.2523 1.2523 2.7790 2.7790 k = 0.0000 0.0000 0.0414 ( 19907 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6601 -9.6601 -9.6540 -9.6540 -1.6376 -1.6376 -1.5449 -1.5449 -0.2114 -0.2114 0.1216 0.1216 0.1360 0.1360 0.2221 0.2221 0.4506 0.4506 1.2495 1.2495 2.7416 2.7416 k = 0.0000 0.0000 0.0621 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6600 -9.6600 -9.6541 -9.6541 -1.6363 -1.6363 -1.5466 -1.5466 -0.2091 -0.2091 0.1121 0.1121 0.1371 0.1371 0.2030 0.2030 0.4856 0.4856 1.2447 1.2447 2.7082 2.7082 k = 0.0000 0.0000 0.0828 ( 19916 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8652 -12.8652 -12.8284 -12.8284 -12.8282 -12.8282 -9.6599 -9.6599 -9.6542 -9.6542 -1.6345 -1.6345 -1.5489 -1.5489 -0.2058 -0.2058 0.0978 0.0978 0.1379 0.1379 0.1866 0.1866 0.5258 0.5258 1.2375 1.2375 2.6794 2.6794 k = 0.0000 0.0000 0.1036 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8657 -12.8657 -12.8653 -12.8653 -12.8284 -12.8284 -12.8282 -12.8282 -9.6597 -9.6597 -9.6544 -9.6544 -1.6323 -1.6323 -1.5518 -1.5518 -0.2016 -0.2016 0.0789 0.0789 0.1385 0.1385 0.1747 0.1747 0.5693 0.5693 1.2277 1.2277 2.6559 2.6559 k = 0.0000 0.0000 0.1243 ( 19916 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8284 -12.8284 -12.8282 -12.8282 -9.6595 -9.6595 -9.6546 -9.6546 -1.6296 -1.6296 -1.5552 -1.5552 -0.1963 -0.1963 0.0567 0.0567 0.1389 0.1389 0.1667 0.1667 0.6148 0.6148 1.2150 1.2150 2.6381 2.6381 k = 0.0000 0.0000 0.1450 ( 19914 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8284 -12.8284 -12.8282 -12.8282 -9.6593 -9.6593 -9.6548 -9.6548 -1.6264 -1.6264 -1.5592 -1.5592 -0.1899 -0.1899 0.0330 0.0330 0.1393 0.1393 0.1613 0.1613 0.6617 0.6617 1.1989 1.1989 2.6264 2.6264 k = 0.0000 0.0000 0.1657 ( 19908 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8284 -12.8284 -12.8282 -12.8282 -9.6590 -9.6590 -9.6551 -9.6551 -1.6228 -1.6228 -1.5635 -1.5635 -0.1825 -0.1825 0.0092 0.0092 0.1397 0.1397 0.1573 0.1573 0.7093 0.7093 1.1793 1.1793 2.6211 2.6211 k = 0.0000 0.0000 0.1864 ( 19906 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8656 -12.8656 -12.8653 -12.8653 -12.8284 -12.8284 -12.8282 -12.8282 -9.6587 -9.6587 -9.6553 -9.6553 -1.6188 -1.6188 -1.5682 -1.5682 -0.1739 -0.1739 -0.0140 -0.0140 0.1402 0.1402 0.1543 0.1543 0.7573 0.7573 1.1559 1.1559 2.6221 2.6221 k = 0.0000 0.0000 0.2071 ( 19908 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7305 -13.7305 -12.8656 -12.8656 -12.8654 -12.8654 -12.8284 -12.8284 -12.8283 -12.8283 -9.6584 -9.6584 -9.6557 -9.6557 -1.6144 -1.6144 -1.5732 -1.5732 -0.1640 -0.1640 -0.0362 -0.0362 0.1408 0.1408 0.1518 0.1518 0.8051 0.8051 1.1288 1.1288 2.6294 2.6294 k = 0.0000 0.0000 0.2278 ( 19904 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8283 -12.8283 -12.8283 -12.8283 -9.6581 -9.6581 -9.6560 -9.6560 -1.6098 -1.6098 -1.5784 -1.5784 -0.1529 -0.1529 -0.0571 -0.0571 0.1416 0.1416 0.1496 0.1496 0.8523 0.8523 1.0980 1.0980 2.6426 2.6426 k = 0.0000 0.0000 0.2485 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8283 -12.8283 -12.8283 -12.8283 -9.6577 -9.6577 -9.6563 -9.6563 -1.6049 -1.6049 -1.5837 -1.5837 -0.1405 -0.1405 -0.0767 -0.0767 0.1425 0.1425 0.1478 0.1478 0.8984 0.8984 1.0637 1.0637 2.6612 2.6612 k = 0.0000 0.0000 0.2692 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8283 -12.8283 -12.8283 -12.8283 -9.6574 -9.6574 -9.6567 -9.6567 -1.5998 -1.5998 -1.5891 -1.5891 -0.1267 -0.1267 -0.0948 -0.0948 0.1435 0.1435 0.1462 0.1462 0.9431 0.9431 1.0261 1.0261 2.6844 2.6844 k = 0.0000 0.0000 0.2899 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6570 -9.6570 -9.6570 -9.6570 -1.5945 -1.5945 -1.5945 -1.5945 -0.1114 -0.1114 -0.1114 -0.1114 0.1447 0.1447 0.1447 0.1447 0.9858 0.9858 0.9858 0.9858 2.7113 2.7113 k = 0.0000 0.0000 0.2899 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6570 -9.6570 -9.6570 -9.6570 -1.5945 -1.5945 -1.5945 -1.5945 -0.1114 -0.1114 -0.1114 -0.1114 0.1447 0.1447 0.1447 0.1447 0.9858 0.9858 0.9858 0.9858 2.7113 2.7113 k = 0.0200-0.0000 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6570 -9.6570 -9.6570 -9.6570 -1.5947 -1.5947 -1.5947 -1.5947 -0.1114 -0.1114 -0.1114 -0.1114 0.1425 0.1425 0.1425 0.1425 0.9894 0.9894 0.9894 0.9894 2.7132 2.7132 k = 0.0400-0.0000 0.2899 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6569 -9.6569 -9.6569 -9.6569 -1.5955 -1.5955 -1.5955 -1.5955 -0.1115 -0.1115 -0.1115 -0.1115 0.1359 0.1359 0.1359 0.1359 0.9998 0.9998 0.9998 0.9998 2.7191 2.7191 k = 0.0600-0.0000 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6568 -9.6568 -9.6568 -9.6568 -1.5968 -1.5968 -1.5968 -1.5968 -0.1118 -0.1118 -0.1118 -0.1118 0.1255 0.1255 0.1255 0.1255 1.0168 1.0168 1.0168 1.0168 2.7287 2.7287 k = 0.0800-0.0000 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6566 -9.6566 -9.6566 -9.6566 -1.5986 -1.5986 -1.5986 -1.5986 -0.1123 -0.1123 -0.1123 -0.1123 0.1122 0.1122 0.1122 0.1122 1.0396 1.0396 1.0396 1.0396 2.7416 2.7416 k = 0.1000-0.0000 0.2899 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8284 -12.8284 -12.8284 -12.8284 -9.6564 -9.6564 -9.6564 -9.6564 -1.6009 -1.6009 -1.6009 -1.6009 -0.1133 -0.1133 -0.1133 -0.1133 0.0967 0.0967 0.0967 0.0967 1.0677 1.0677 1.0677 1.0677 2.7573 2.7573 k = 0.1200-0.0000 0.2899 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8656 -12.8656 -12.8656 -12.8656 -12.8284 -12.8284 -12.8284 -12.8284 -9.6561 -9.6561 -9.6561 -9.6561 -1.6037 -1.6037 -1.6037 -1.6037 -0.1152 -0.1152 -0.1152 -0.1152 0.0802 0.0802 0.0802 0.0802 1.1002 1.1002 1.1002 1.1002 2.7751 2.7751 k = 0.1400-0.0000 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8656 -12.8656 -12.8656 -12.8656 -12.8284 -12.8284 -12.8284 -12.8284 -9.6558 -9.6558 -9.6558 -9.6558 -1.6068 -1.6068 -1.6068 -1.6068 -0.1182 -0.1182 -0.1182 -0.1182 0.0639 0.0639 0.0639 0.0639 1.1366 1.1366 1.1366 1.1366 2.7941 2.7941 k = 0.1600-0.0000 0.2899 ( 19934 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8656 -12.8656 -12.8656 -12.8656 -12.8284 -12.8284 -12.8284 -12.8284 -9.6555 -9.6555 -9.6555 -9.6555 -1.6104 -1.6104 -1.6104 -1.6104 -0.1228 -0.1228 -0.1228 -0.1228 0.0486 0.0486 0.0486 0.0486 1.1763 1.1763 1.1763 1.1763 2.8132 2.8132 k = 0.1800-0.0000 0.2899 ( 19918 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8657 -12.8657 -12.8657 -12.8657 -12.8285 -12.8285 -12.8285 -12.8285 -9.6551 -9.6551 -9.6551 -9.6551 -1.6143 -1.6143 -1.6143 -1.6143 -0.1295 -0.1295 -0.1295 -0.1295 0.0353 0.0353 0.0353 0.0353 1.2188 1.2188 1.2188 1.2188 2.8309 2.8309 k = 0.2000-0.0000 0.2899 ( 19916 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8657 -12.8657 -12.8657 -12.8657 -12.8285 -12.8285 -12.8285 -12.8285 -9.6547 -9.6547 -9.6547 -9.6547 -1.6185 -1.6185 -1.6185 -1.6185 -0.1383 -0.1383 -0.1383 -0.1383 0.0247 0.0247 0.0247 0.0247 1.2637 1.2637 1.2637 1.2637 2.8450 2.8450 k = 0.2200-0.0000 0.2899 ( 19916 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8657 -12.8657 -12.8657 -12.8657 -12.8285 -12.8285 -12.8285 -12.8285 -9.6543 -9.6543 -9.6543 -9.6543 -1.6230 -1.6230 -1.6230 -1.6230 -0.1493 -0.1493 -0.1493 -0.1493 0.0170 0.0170 0.0170 0.0170 1.3107 1.3107 1.3107 1.3107 2.8528 2.8528 k = 0.2400-0.0000 0.2899 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8658 -12.8658 -12.8658 -12.8658 -12.8286 -12.8286 -12.8286 -12.8286 -9.6539 -9.6539 -9.6539 -9.6539 -1.6276 -1.6276 -1.6276 -1.6276 -0.1619 -0.1619 -0.1619 -0.1619 0.0120 0.0120 0.0120 0.0120 1.3596 1.3596 1.3596 1.3596 2.8506 2.8506 k = 0.2600-0.0000 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8658 -12.8658 -12.8658 -12.8658 -12.8286 -12.8286 -12.8286 -12.8286 -9.6535 -9.6535 -9.6535 -9.6535 -1.6323 -1.6323 -1.6323 -1.6323 -0.1757 -0.1757 -0.1757 -0.1757 0.0093 0.0093 0.0093 0.0093 1.4101 1.4101 1.4101 1.4101 2.8352 2.8352 k = 0.2800-0.0000 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8659 -12.8659 -12.8659 -12.8659 -12.8287 -12.8287 -12.8287 -12.8287 -9.6531 -9.6531 -9.6531 -9.6531 -1.6370 -1.6370 -1.6370 -1.6370 -0.1898 -0.1898 -0.1898 -0.1898 0.0084 0.0084 0.0084 0.0084 1.4621 1.4621 1.4621 1.4621 2.8058 2.8058 k = 0.3000-0.0000 0.2899 ( 19872 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8659 -12.8659 -12.8659 -12.8659 -12.8287 -12.8287 -12.8287 -12.8287 -9.6527 -9.6527 -9.6527 -9.6527 -1.6417 -1.6417 -1.6417 -1.6417 -0.2039 -0.2039 -0.2039 -0.2039 0.0087 0.0087 0.0087 0.0087 1.5154 1.5154 1.5154 1.5154 2.7645 2.7645 k = 0.3200-0.0000 0.2899 ( 19868 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8660 -12.8660 -12.8660 -12.8660 -12.8287 -12.8287 -12.8287 -12.8287 -9.6523 -9.6523 -9.6523 -9.6523 -1.6463 -1.6463 -1.6463 -1.6463 -0.2175 -0.2175 -0.2175 -0.2175 0.0100 0.0100 0.0100 0.0100 1.5699 1.5699 1.5699 1.5699 2.7147 2.7147 k = 0.3400-0.0000 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8660 -12.8660 -12.8660 -12.8660 -12.8287 -12.8287 -12.8287 -12.8287 -9.6520 -9.6520 -9.6520 -9.6520 -1.6506 -1.6506 -1.6506 -1.6506 -0.2301 -0.2301 -0.2301 -0.2301 0.0118 0.0118 0.0118 0.0118 1.6254 1.6254 1.6254 1.6254 2.6595 2.6595 k = 0.3600-0.0000 0.2899 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8660 -12.8660 -12.8660 -12.8660 -12.8288 -12.8288 -12.8288 -12.8288 -9.6516 -9.6516 -9.6516 -9.6516 -1.6546 -1.6546 -1.6546 -1.6546 -0.2416 -0.2416 -0.2416 -0.2416 0.0139 0.0139 0.0139 0.0139 1.6816 1.6816 1.6816 1.6816 2.6011 2.6011 k = 0.3800-0.0000 0.2899 ( 19886 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8661 -12.8661 -12.8661 -12.8661 -12.8288 -12.8288 -12.8288 -12.8288 -9.6513 -9.6513 -9.6513 -9.6513 -1.6583 -1.6583 -1.6583 -1.6583 -0.2518 -0.2518 -0.2518 -0.2518 0.0161 0.0161 0.0161 0.0161 1.7383 1.7383 1.7383 1.7383 2.5411 2.5411 k = 0.4000-0.0000 0.2899 ( 19896 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8661 -12.8661 -12.8661 -12.8661 -12.8288 -12.8288 -12.8288 -12.8288 -9.6511 -9.6511 -9.6511 -9.6511 -1.6615 -1.6615 -1.6615 -1.6615 -0.2606 -0.2606 -0.2606 -0.2606 0.0182 0.0182 0.0182 0.0182 1.7951 1.7951 1.7951 1.7951 2.4808 2.4808 k = 0.4200-0.0000 0.2899 ( 19906 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8661 -12.8661 -12.8661 -12.8661 -12.8288 -12.8288 -12.8288 -12.8288 -9.6508 -9.6508 -9.6508 -9.6508 -1.6643 -1.6643 -1.6643 -1.6643 -0.2678 -0.2678 -0.2678 -0.2678 0.0200 0.0200 0.0200 0.0200 1.8513 1.8513 1.8513 1.8513 2.4212 2.4212 k = 0.4400-0.0000 0.2899 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8289 -12.8289 -12.8289 -12.8289 -9.6507 -9.6507 -9.6507 -9.6507 -1.6665 -1.6665 -1.6665 -1.6665 -0.2735 -0.2735 -0.2735 -0.2735 0.0216 0.0216 0.0216 0.0216 1.9055 1.9055 1.9055 1.9055 2.3642 2.3642 k = 0.4600-0.0000 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6505 -9.6505 -9.6505 -9.6505 -1.6681 -1.6681 -1.6681 -1.6681 -0.2776 -0.2776 -0.2776 -0.2776 0.0228 0.0228 0.0228 0.0228 1.9549 1.9549 1.9549 1.9549 2.3126 2.3126 k = 0.4800-0.0000 0.2899 ( 19890 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6505 -9.6505 -9.6505 -9.6505 -1.6690 -1.6690 -1.6690 -1.6690 -0.2800 -0.2800 -0.2800 -0.2800 0.0235 0.0235 0.0235 0.0235 1.9933 1.9933 1.9933 1.9933 2.2729 2.2729 k = 0.5000-0.0000 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6504 -9.6504 -9.6504 -9.6504 -1.6694 -1.6694 -1.6694 -1.6694 -0.2809 -0.2809 -0.2809 -0.2809 0.0237 0.0237 0.0237 0.0237 2.0088 2.0088 2.0088 2.0088 2.2569 2.2569 k = 0.5000-0.0000 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6504 -9.6504 -9.6504 -9.6504 -1.6694 -1.6694 -1.6694 -1.6694 -0.2809 -0.2809 -0.2809 -0.2809 0.0237 0.0237 0.0237 0.0237 2.0088 2.0088 2.0088 2.0088 2.2569 2.2569 k = 0.5000 0.0203 0.2899 ( 19896 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6504 -9.6504 -9.6504 -9.6504 -1.6708 -1.6708 -1.6678 -1.6678 -0.2872 -0.2872 -0.2740 -0.2740 0.0196 0.0196 0.0276 0.0276 2.0046 2.0046 2.0093 2.0093 2.2558 2.2558 k = 0.5000 0.0406 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8288 -12.8288 -9.6505 -9.6505 -9.6504 -9.6504 -1.6722 -1.6722 -1.6663 -1.6663 -0.2929 -0.2929 -0.2668 -0.2668 0.0152 0.0152 0.0311 0.0311 1.9971 1.9971 2.0057 2.0057 2.2595 2.2595 k = 0.5000 0.0609 0.2899 ( 19896 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8662 -12.8662 -12.8290 -12.8290 -12.8288 -12.8288 -9.6504 -9.6504 -9.6503 -9.6503 -1.6734 -1.6734 -1.6647 -1.6647 -0.2979 -0.2979 -0.2593 -0.2593 0.0106 0.0106 0.0343 0.0343 1.9863 1.9863 1.9974 1.9974 2.2685 2.2685 k = 0.5000 0.0812 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8290 -12.8290 -12.8288 -12.8288 -9.6504 -9.6504 -9.6503 -9.6503 -1.6744 -1.6744 -1.6632 -1.6632 -0.3023 -0.3023 -0.2517 -0.2517 0.0060 0.0060 0.0372 0.0372 1.9720 1.9720 1.9841 1.9841 2.2834 2.2834 k = 0.5000 0.1015 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8290 -12.8290 -12.8288 -12.8288 -9.6504 -9.6504 -9.6502 -9.6502 -1.6753 -1.6753 -1.6617 -1.6617 -0.3058 -0.3058 -0.2441 -0.2441 0.0015 0.0015 0.0398 0.0398 1.9543 1.9543 1.9658 1.9658 2.3040 2.3040 k = 0.5000 0.1218 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8291 -12.8291 -12.8288 -12.8288 -9.6504 -9.6504 -9.6502 -9.6502 -1.6760 -1.6760 -1.6604 -1.6604 -0.3085 -0.3085 -0.2368 -0.2368 -0.0027 -0.0027 0.0422 0.0422 1.9330 1.9330 1.9430 1.9430 2.3300 2.3300 k = 0.5000 0.1421 0.2899 ( 19908 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8291 -12.8291 -12.8288 -12.8288 -9.6503 -9.6503 -9.6501 -9.6501 -1.6765 -1.6765 -1.6592 -1.6592 -0.3103 -0.3103 -0.2300 -0.2300 -0.0062 -0.0062 0.0444 0.0444 1.9086 1.9086 1.9163 1.9163 2.3609 2.3609 k = 0.5000 0.1624 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8292 -12.8292 -12.8289 -12.8289 -9.6503 -9.6503 -9.6500 -9.6500 -1.6768 -1.6768 -1.6582 -1.6582 -0.3113 -0.3113 -0.2239 -0.2239 -0.0088 -0.0088 0.0466 0.0466 1.8813 1.8813 1.8867 1.8867 2.3959 2.3959 k = 0.5000 0.1828 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8292 -12.8292 -12.8289 -12.8289 -9.6502 -9.6502 -9.6500 -9.6500 -1.6769 -1.6769 -1.6574 -1.6574 -0.3114 -0.3114 -0.2189 -0.2189 -0.0104 -0.0104 0.0486 0.0486 1.8519 1.8519 1.8549 1.8549 2.4341 2.4341 k = 0.5000 0.2031 0.2899 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8292 -12.8292 -12.8289 -12.8289 -9.6501 -9.6501 -9.6499 -9.6499 -1.6768 -1.6768 -1.6569 -1.6569 -0.3105 -0.3105 -0.2152 -0.2152 -0.0106 -0.0106 0.0505 0.0505 1.8209 1.8209 1.8218 1.8218 2.4747 2.4747 k = 0.5000 0.2234 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8293 -12.8293 -12.8289 -12.8289 -9.6501 -9.6501 -9.6498 -9.6498 -1.6765 -1.6765 -1.6565 -1.6565 -0.3088 -0.3088 -0.2129 -0.2129 -0.0093 -0.0093 0.0523 0.0523 1.7884 1.7884 1.7892 1.7892 2.5126 2.5127 k = 0.5000 0.2437 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8661 -12.8661 -12.8293 -12.8293 -12.8290 -12.8290 -9.6500 -9.6500 -9.6498 -9.6498 -1.6760 -1.6760 -1.6565 -1.6565 -0.3062 -0.3062 -0.2122 -0.2122 -0.0065 -0.0065 0.0539 0.0539 1.7553 1.7553 1.7575 1.7575 2.5512 2.5512 k = 0.5000 0.2640 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8662 -12.8662 -12.8661 -12.8661 -12.8293 -12.8293 -12.8290 -12.8290 -9.6499 -9.6499 -9.6497 -9.6497 -1.6753 -1.6753 -1.6566 -1.6566 -0.3028 -0.3028 -0.2130 -0.2130 -0.0024 -0.0024 0.0553 0.0553 1.7235 1.7235 1.7266 1.7266 2.5894 2.5895 k = 0.5000 0.2843 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8290 -12.8290 -9.6499 -9.6499 -9.6496 -9.6496 -1.6744 -1.6744 -1.6571 -1.6571 -0.2987 -0.2987 -0.2153 -0.2153 0.0030 0.0030 0.0564 0.0564 1.6936 1.6936 1.6973 1.6973 2.6263 2.6263 k = 0.5000 0.3046 0.2899 ( 19896 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8291 -12.8291 -9.6498 -9.6498 -9.6496 -9.6496 -1.6734 -1.6734 -1.6577 -1.6577 -0.2938 -0.2938 -0.2189 -0.2189 0.0092 0.0092 0.0571 0.0571 1.6663 1.6663 1.6702 1.6702 2.6604 2.6604 k = 0.5000 0.3249 0.2899 ( 19904 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8291 -12.8291 -9.6497 -9.6497 -9.6496 -9.6496 -1.6722 -1.6722 -1.6586 -1.6586 -0.2884 -0.2884 -0.2235 -0.2235 0.0158 0.0158 0.0572 0.0572 1.6422 1.6422 1.6460 1.6460 2.6903 2.6904 k = 0.5000 0.3452 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8292 -12.8292 -9.6497 -9.6497 -9.6495 -9.6495 -1.6710 -1.6710 -1.6597 -1.6597 -0.2824 -0.2824 -0.2289 -0.2289 0.0227 0.0227 0.0567 0.0567 1.6219 1.6219 1.6253 1.6253 2.7144 2.7145 k = 0.5000 0.3655 0.2899 ( 19904 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8292 -12.8292 -9.6496 -9.6496 -9.6495 -9.6495 -1.6696 -1.6696 -1.6609 -1.6609 -0.2760 -0.2760 -0.2350 -0.2350 0.0294 0.0294 0.0554 0.0554 1.6057 1.6057 1.6085 1.6085 2.7319 2.7322 k = 0.5000 0.3858 0.2899 ( 19912 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8292 -12.8292 -9.6496 -9.6496 -9.6495 -9.6495 -1.6681 -1.6681 -1.6622 -1.6622 -0.2693 -0.2693 -0.2415 -0.2415 0.0357 0.0357 0.0533 0.0533 1.5941 1.5941 1.5960 1.5960 2.7429 2.7435 k = 0.5000 0.4061 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6666 -1.6666 -1.6636 -1.6636 -0.2624 -0.2624 -0.2484 -0.2484 0.0414 0.0414 0.0502 0.0502 1.5872 1.5872 1.5882 1.5882 2.7490 2.7491 k = 0.5000 0.4264 0.2899 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6651 -1.6651 -1.6651 -1.6651 -0.2553 -0.2553 -0.2553 -0.2553 0.0462 0.0462 0.0462 0.0462 1.5853 1.5853 1.5853 1.5853 2.7500 2.7500 k = 0.5000 0.4264 0.2899 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6651 -1.6651 -1.6651 -1.6651 -0.2553 -0.2553 -0.2553 -0.2553 0.0462 0.0462 0.0462 0.0462 1.5853 1.5853 1.5853 1.5853 2.7500 2.7500 k = 0.4800 0.4264 0.2899 ( 19904 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6650 -1.6650 -1.6650 -1.6650 -0.2555 -0.2555 -0.2555 -0.2555 0.0461 0.0461 0.0461 0.0461 1.5876 1.5876 1.5876 1.5876 2.7422 2.7422 k = 0.4600 0.4264 0.2899 ( 19912 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6496 -9.6496 -9.6496 -9.6496 -1.6648 -1.6648 -1.6648 -1.6648 -0.2559 -0.2559 -0.2559 -0.2559 0.0457 0.0457 0.0457 0.0457 1.5944 1.5944 1.5944 1.5944 2.7208 2.7208 k = 0.4400 0.4264 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6497 -9.6497 -9.6497 -9.6497 -1.6644 -1.6644 -1.6644 -1.6644 -0.2567 -0.2567 -0.2567 -0.2567 0.0452 0.0452 0.0452 0.0452 1.6056 1.6056 1.6056 1.6056 2.6899 2.6899 k = 0.4200 0.4264 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8293 -12.8293 -12.8293 -12.8293 -9.6498 -9.6498 -9.6498 -9.6498 -1.6639 -1.6639 -1.6639 -1.6639 -0.2578 -0.2578 -0.2578 -0.2578 0.0447 0.0447 0.0447 0.0447 1.6209 1.6209 1.6209 1.6209 2.6530 2.6530 k = 0.4000 0.4264 0.2899 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6500 -9.6500 -9.6500 -9.6500 -1.6632 -1.6632 -1.6632 -1.6632 -0.2593 -0.2593 -0.2593 -0.2593 0.0446 0.0446 0.0446 0.0446 1.6399 1.6399 1.6399 1.6399 2.6125 2.6125 k = 0.3800 0.4264 0.2899 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6501 -9.6501 -9.6501 -9.6501 -1.6625 -1.6625 -1.6625 -1.6625 -0.2614 -0.2614 -0.2614 -0.2614 0.0450 0.0450 0.0450 0.0450 1.6624 1.6624 1.6624 1.6624 2.5699 2.5699 k = 0.3600 0.4264 0.2899 ( 19872 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8660 -12.8660 -12.8660 -12.8660 -12.8292 -12.8292 -12.8292 -12.8292 -9.6504 -9.6504 -9.6504 -9.6504 -1.6618 -1.6618 -1.6618 -1.6618 -0.2639 -0.2639 -0.2639 -0.2639 0.0462 0.0462 0.0462 0.0462 1.6878 1.6878 1.6878 1.6878 2.5259 2.5259 k = 0.3400 0.4264 0.2899 ( 19848 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8659 -12.8659 -12.8659 -12.8659 -12.8292 -12.8292 -12.8292 -12.8292 -9.6506 -9.6506 -9.6506 -9.6506 -1.6610 -1.6610 -1.6610 -1.6610 -0.2670 -0.2670 -0.2670 -0.2670 0.0485 0.0485 0.0485 0.0485 1.7156 1.7156 1.7156 1.7156 2.4812 2.4812 k = 0.3200 0.4264 0.2899 ( 19832 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8659 -12.8659 -12.8659 -12.8659 -12.8292 -12.8292 -12.8292 -12.8292 -9.6508 -9.6508 -9.6508 -9.6508 -1.6602 -1.6602 -1.6602 -1.6602 -0.2708 -0.2708 -0.2708 -0.2708 0.0521 0.0521 0.0521 0.0521 1.7451 1.7451 1.7451 1.7451 2.4362 2.4362 k = 0.3000 0.4264 0.2899 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8659 -12.8659 -12.8659 -12.8659 -12.8291 -12.8291 -12.8291 -12.8291 -9.6511 -9.6511 -9.6511 -9.6511 -1.6594 -1.6594 -1.6594 -1.6594 -0.2750 -0.2750 -0.2750 -0.2750 0.0572 0.0572 0.0572 0.0572 1.7759 1.7759 1.7759 1.7759 2.3911 2.3911 k = 0.2800 0.4264 0.2899 ( 19840 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8658 -12.8658 -12.8658 -12.8658 -12.8291 -12.8291 -12.8291 -12.8291 -9.6514 -9.6514 -9.6514 -9.6514 -1.6588 -1.6588 -1.6588 -1.6588 -0.2798 -0.2798 -0.2798 -0.2798 0.0639 0.0639 0.0639 0.0639 1.8072 1.8072 1.8072 1.8072 2.3465 2.3465 k = 0.2600 0.4264 0.2899 ( 19832 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7310 -13.7310 -13.7310 -13.7310 -12.8658 -12.8658 -12.8658 -12.8658 -12.8291 -12.8291 -12.8291 -12.8291 -9.6517 -9.6517 -9.6517 -9.6517 -1.6582 -1.6582 -1.6582 -1.6582 -0.2850 -0.2850 -0.2850 -0.2850 0.0720 0.0720 0.0720 0.0720 1.8385 1.8385 1.8385 1.8385 2.3025 2.3025 k = 0.2400 0.4264 0.2899 ( 19840 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8657 -12.8657 -12.8657 -12.8657 -12.8291 -12.8291 -12.8291 -12.8291 -9.6520 -9.6520 -9.6520 -9.6519 -1.6576 -1.6576 -1.6576 -1.6576 -0.2905 -0.2905 -0.2905 -0.2905 0.0815 0.0815 0.0815 0.0815 1.8689 1.8689 1.8689 1.8689 2.2595 2.2595 k = 0.2200 0.4264 0.2899 ( 19844 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8657 -12.8657 -12.8657 -12.8657 -12.8290 -12.8290 -12.8290 -12.8290 -9.6522 -9.6522 -9.6522 -9.6522 -1.6572 -1.6572 -1.6572 -1.6572 -0.2962 -0.2962 -0.2962 -0.2962 0.0924 0.0924 0.0924 0.0924 1.8979 1.8979 1.8979 1.8979 2.2181 2.2181 k = 0.2000 0.4264 0.2899 ( 19856 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8657 -12.8657 -12.8657 -12.8657 -12.8290 -12.8290 -12.8290 -12.8290 -9.6525 -9.6525 -9.6525 -9.6525 -1.6569 -1.6569 -1.6569 -1.6569 -0.3020 -0.3020 -0.3020 -0.3020 0.1042 0.1042 0.1042 0.1042 1.9245 1.9245 1.9245 1.9245 2.1790 2.1790 k = 0.1800 0.4264 0.2899 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7309 -13.7309 -13.7309 -13.7309 -12.8656 -12.8656 -12.8656 -12.8656 -12.8290 -12.8290 -12.8290 -12.8290 -9.6528 -9.6528 -9.6528 -9.6528 -1.6567 -1.6567 -1.6567 -1.6567 -0.3076 -0.3076 -0.3076 -0.3076 0.1168 0.1168 0.1168 0.1168 1.9476 1.9476 1.9476 1.9476 2.1431 2.1431 k = 0.1600 0.4264 0.2899 ( 19836 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8656 -12.8656 -12.8656 -12.8656 -12.8290 -12.8290 -12.8290 -12.8290 -9.6530 -9.6530 -9.6530 -9.6530 -1.6566 -1.6566 -1.6566 -1.6566 -0.3130 -0.3130 -0.3130 -0.3130 0.1297 0.1297 0.1297 0.1297 1.9656 1.9656 1.9656 1.9656 2.1125 2.1125 k = 0.1400 0.4264 0.2899 ( 19828 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6533 -9.6533 -9.6533 -9.6533 -1.6565 -1.6565 -1.6565 -1.6565 -0.3180 -0.3180 -0.3180 -0.3180 0.1426 0.1426 0.1426 0.1426 1.9753 1.9753 1.9753 1.9753 2.0901 2.0901 k = 0.1200 0.4264 0.2899 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6535 -9.6535 -9.6535 -9.6535 -1.6566 -1.6566 -1.6566 -1.6566 -0.3226 -0.3226 -0.3226 -0.3226 0.1550 0.1550 0.1550 0.1550 1.9736 1.9736 1.9736 1.9736 2.0794 2.0794 k = 0.1000 0.4264 0.2899 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6536 -9.6536 -9.6536 -9.6536 -1.6566 -1.6566 -1.6566 -1.6566 -0.3267 -0.3267 -0.3267 -0.3267 0.1665 0.1665 0.1665 0.1665 1.9622 1.9622 1.9622 1.9622 2.0793 2.0793 k = 0.0800 0.4264 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7308 -13.7308 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6538 -9.6538 -9.6538 -9.6538 -1.6567 -1.6567 -1.6567 -1.6567 -0.3301 -0.3301 -0.3301 -0.3301 0.1766 0.1766 0.1766 0.1766 1.9470 1.9470 1.9470 1.9470 2.0843 2.0843 k = 0.0600 0.4264 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8655 -12.8655 -12.8655 -12.8655 -12.8289 -12.8289 -12.8289 -12.8289 -9.6539 -9.6539 -9.6539 -9.6539 -1.6567 -1.6567 -1.6567 -1.6567 -0.3328 -0.3328 -0.3328 -0.3328 0.1850 0.1850 0.1850 0.1850 1.9325 1.9325 1.9325 1.9325 2.0902 2.0902 k = 0.0400 0.4264 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6540 -9.6540 -9.6540 -9.6540 -1.6568 -1.6568 -1.6568 -1.6568 -0.3347 -0.3347 -0.3347 -0.3347 0.1913 0.1913 0.1913 0.1913 1.9210 1.9210 1.9210 1.9210 2.0952 2.0952 k = 0.0200 0.4264 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6569 -1.6569 -1.6569 -1.6569 -0.3359 -0.3359 -0.3359 -0.3359 0.1952 0.1952 0.1952 0.1952 1.9138 1.9138 1.9138 1.9138 2.0984 2.0984 k = 0.0000 0.4264 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6569 -1.6569 -1.6569 -1.6569 -0.3363 -0.3363 -0.3363 -0.3363 0.1965 0.1965 0.1965 0.1965 1.9113 1.9113 1.9113 1.9113 2.0995 2.0995 k = 0.0000 0.4264 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6569 -1.6569 -1.6569 -1.6569 -0.3363 -0.3363 -0.3363 -0.3363 0.1965 0.1965 0.1965 0.1965 1.9113 1.9113 1.9113 1.9113 2.0995 2.0995 k = 0.0000 0.4061 0.2899 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6541 -9.6541 -9.6541 -9.6541 -1.6570 -1.6570 -1.6560 -1.6560 -0.3369 -0.3369 -0.3341 -0.3341 0.1959 0.1959 0.1967 0.1967 1.8928 1.8928 1.8951 1.8951 2.1150 2.1150 k = 0.0000 0.3858 0.2899 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6542 -9.6542 -9.6541 -9.6541 -1.6564 -1.6564 -1.6545 -1.6545 -0.3358 -0.3358 -0.3303 -0.3303 0.1948 0.1948 0.1966 0.1966 1.8506 1.8506 1.8550 1.8550 2.1518 2.1518 k = 0.0000 0.3655 0.2899 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8288 -12.8288 -9.6543 -9.6543 -9.6542 -9.6542 -1.6552 -1.6552 -1.6523 -1.6523 -0.3330 -0.3330 -0.3248 -0.3248 0.1933 0.1933 0.1960 0.1960 1.7977 1.7977 1.8042 1.8042 2.1969 2.1969 k = 0.0000 0.3452 0.2899 ( 19858 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8287 -12.8287 -9.6544 -9.6544 -9.6543 -9.6543 -1.6533 -1.6533 -1.6495 -1.6495 -0.3286 -0.3286 -0.3178 -0.3178 0.1914 0.1914 0.1950 0.1950 1.7400 1.7400 1.7486 1.7486 2.2448 2.2448 k = 0.0000 0.3249 0.2899 ( 19902 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8287 -12.8287 -9.6545 -9.6545 -9.6544 -9.6544 -1.6507 -1.6507 -1.6462 -1.6462 -0.3225 -0.3225 -0.3091 -0.3091 0.1892 0.1892 0.1937 0.1937 1.6799 1.6799 1.6904 1.6904 2.2932 2.2932 k = 0.0000 0.3046 0.2899 ( 19902 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7307 -13.7307 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8286 -12.8286 -9.6547 -9.6547 -9.6546 -9.6546 -1.6476 -1.6476 -1.6423 -1.6423 -0.3148 -0.3148 -0.2989 -0.2989 0.1865 0.1865 0.1920 0.1920 1.6185 1.6185 1.6308 1.6308 2.3411 2.3411 k = 0.0000 0.2843 0.2899 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7308 -13.7308 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8289 -12.8289 -12.8286 -12.8286 -9.6549 -9.6549 -9.6547 -9.6547 -1.6441 -1.6441 -1.6382 -1.6382 -0.3055 -0.3055 -0.2873 -0.2873 0.1836 0.1836 0.1901 0.1901 1.5566 1.5566 1.5705 1.5705 2.3879 2.3879 k = 0.0000 0.2640 0.2899 ( 19886 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8288 -12.8288 -12.8285 -12.8285 -9.6551 -9.6551 -9.6549 -9.6549 -1.6401 -1.6401 -1.6337 -1.6337 -0.2946 -0.2946 -0.2743 -0.2743 0.1803 0.1803 0.1878 0.1878 1.4948 1.4948 1.5101 1.5101 2.4332 2.4332 k = 0.0000 0.2437 0.2899 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8288 -12.8288 -12.8285 -12.8285 -9.6553 -9.6553 -9.6551 -9.6551 -1.6358 -1.6358 -1.6290 -1.6290 -0.2822 -0.2822 -0.2599 -0.2599 0.1768 0.1768 0.1853 0.1853 1.4338 1.4338 1.4501 1.4501 2.4765 2.4767 k = 0.0000 0.2234 0.2899 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8288 -12.8288 -12.8285 -12.8285 -9.6555 -9.6555 -9.6553 -9.6553 -1.6312 -1.6312 -1.6243 -1.6243 -0.2684 -0.2684 -0.2445 -0.2445 0.1730 0.1730 0.1826 0.1826 1.3740 1.3740 1.3910 1.3910 2.5154 2.5155 k = 0.0000 0.2031 0.2899 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8287 -12.8287 -12.8284 -12.8284 -9.6558 -9.6558 -9.6556 -9.6556 -1.6266 -1.6266 -1.6196 -1.6196 -0.2533 -0.2533 -0.2281 -0.2281 0.1691 0.1691 0.1796 0.1796 1.3161 1.3161 1.3334 1.3334 2.5508 2.5508 k = 0.0000 0.1828 0.2899 ( 19878 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8287 -12.8287 -12.8284 -12.8284 -9.6560 -9.6560 -9.6558 -9.6558 -1.6219 -1.6219 -1.6151 -1.6151 -0.2372 -0.2372 -0.2110 -0.2110 0.1650 0.1650 0.1764 0.1764 1.2606 1.2606 1.2779 1.2779 2.5826 2.5826 k = 0.0000 0.1624 0.2899 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8286 -12.8286 -12.8283 -12.8283 -9.6562 -9.6562 -9.6560 -9.6560 -1.6174 -1.6174 -1.6108 -1.6108 -0.2203 -0.2203 -0.1937 -0.1937 0.1609 0.1609 0.1731 0.1731 1.2083 1.2083 1.2250 1.2250 2.6106 2.6106 k = 0.0000 0.1421 0.2899 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8286 -12.8286 -12.8283 -12.8283 -9.6564 -9.6564 -9.6562 -9.6562 -1.6130 -1.6130 -1.6068 -1.6068 -0.2029 -0.2029 -0.1764 -0.1764 0.1569 0.1569 0.1695 0.1695 1.1597 1.1597 1.1756 1.1756 2.6346 2.6347 k = 0.0000 0.1218 0.2899 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8285 -12.8285 -12.8283 -12.8283 -9.6565 -9.6565 -9.6564 -9.6564 -1.6089 -1.6089 -1.6033 -1.6033 -0.1854 -0.1854 -0.1598 -0.1598 0.1530 0.1530 0.1658 0.1658 1.1156 1.1156 1.1302 1.1302 2.6549 2.6549 k = 0.0000 0.1015 0.2899 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8285 -12.8285 -12.8283 -12.8283 -9.6567 -9.6567 -9.6566 -9.6566 -1.6051 -1.6051 -1.6002 -1.6002 -0.1683 -0.1683 -0.1445 -0.1445 0.1495 0.1495 0.1619 0.1619 1.0768 1.0768 1.0897 1.0897 2.6714 2.6715 k = 0.0000 0.0812 0.2899 ( 19882 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8284 -12.8284 -12.8283 -12.8283 -9.6568 -9.6568 -9.6567 -9.6567 -1.6019 -1.6019 -1.5978 -1.5978 -0.1522 -0.1522 -0.1311 -0.1311 0.1465 0.1465 0.1580 0.1580 1.0440 1.0440 1.0549 1.0549 2.6847 2.6847 k = 0.0000 0.0609 0.2899 ( 19882 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8284 -12.8284 -12.8283 -12.8283 -9.6569 -9.6569 -9.6568 -9.6568 -1.5991 -1.5991 -1.5959 -1.5959 -0.1377 -0.1377 -0.1205 -0.1205 0.1444 0.1444 0.1541 0.1541 1.0180 1.0180 1.0264 1.0264 2.6951 2.6951 k = 0.0000 0.0406 0.2899 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8284 -12.8284 -12.8283 -12.8283 -9.6570 -9.6570 -9.6569 -9.6569 -1.5969 -1.5969 -1.5948 -1.5948 -0.1257 -0.1257 -0.1134 -0.1134 0.1433 0.1433 0.1504 0.1504 0.9993 0.9993 1.0051 1.0051 2.7029 2.7029 k = 0.0000 0.0203 0.2899 ( 19898 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8654 -12.8654 -12.8283 -12.8283 -12.8283 -12.8283 -9.6570 -9.6570 -9.6570 -9.6570 -1.5954 -1.5954 -1.5943 -1.5943 -0.1167 -0.1167 -0.1103 -0.1103 0.1434 0.1434 0.1472 0.1472 0.9885 0.9885 0.9914 0.9914 2.7082 2.7082 k = 0.0000 0.0000 0.2899 ( 19910 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7306 -13.7306 -13.7306 -13.7306 -12.8655 -12.8655 -12.8655 -12.8655 -12.8283 -12.8283 -12.8283 -12.8283 -9.6570 -9.6570 -9.6570 -9.6570 -1.5945 -1.5945 -1.5945 -1.5945 -0.1114 -0.1114 -0.1114 -0.1114 0.1447 0.1447 0.1447 0.1447 0.9858 0.9858 0.9858 0.9858 2.7113 2.7113 k = 0.0000 0.4264-0.0000 ( 19824 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6489 -1.6489 -1.6489 -1.6489 -0.3184 -0.3184 -0.3184 -0.3184 0.1338 0.1338 0.1338 0.1338 1.7078 1.7078 1.7078 1.7078 2.7053 2.7053 k = 0.0000 0.4264 0.0207 ( 19820 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6490 -1.6490 -1.6489 -1.6489 -0.3192 -0.3192 -0.3182 -0.3182 0.1335 0.1335 0.1358 0.1358 1.7083 1.7083 1.7098 1.7098 2.6892 2.6895 k = 0.0000 0.4264 0.0414 ( 19828 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6494 -1.6494 -1.6492 -1.6492 -0.3204 -0.3204 -0.3184 -0.3184 0.1347 0.1347 0.1393 0.1393 1.7114 1.7114 1.7143 1.7143 2.6502 2.6504 k = 0.0000 0.4264 0.0621 ( 19836 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6499 -1.6499 -1.6496 -1.6496 -0.3220 -0.3220 -0.3192 -0.3192 0.1375 0.1375 0.1441 0.1441 1.7172 1.7172 1.7214 1.7214 2.6002 2.6002 k = 0.0000 0.4264 0.0828 ( 19824 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6506 -1.6506 -1.6502 -1.6502 -0.3239 -0.3239 -0.3204 -0.3204 0.1418 0.1418 0.1500 0.1500 1.7256 1.7256 1.7310 1.7310 2.5457 2.5457 k = 0.0000 0.4264 0.1036 ( 19836 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6514 -1.6514 -1.6509 -1.6509 -0.3259 -0.3259 -0.3220 -0.3220 0.1472 0.1472 0.1566 0.1566 1.7367 1.7367 1.7432 1.7432 2.4896 2.4896 k = 0.0000 0.4264 0.1243 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6522 -1.6522 -1.6518 -1.6518 -0.3280 -0.3280 -0.3238 -0.3238 0.1535 0.1535 0.1636 0.1636 1.7506 1.7506 1.7579 1.7579 2.4331 2.4331 k = 0.0000 0.4264 0.1450 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6531 -1.6531 -1.6526 -1.6526 -0.3300 -0.3300 -0.3258 -0.3258 0.1604 0.1604 0.1707 0.1707 1.7672 1.7672 1.7752 1.7752 2.3774 2.3774 k = 0.0000 0.4264 0.1657 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6540 -1.6540 -1.6535 -1.6535 -0.3319 -0.3319 -0.3279 -0.3279 0.1675 0.1675 0.1775 0.1775 1.7865 1.7865 1.7948 1.7948 2.3231 2.3231 k = 0.0000 0.4264 0.1864 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6548 -1.6548 -1.6544 -1.6544 -0.3335 -0.3335 -0.3299 -0.3299 0.1744 0.1744 0.1837 0.1837 1.8084 1.8084 1.8166 1.8166 2.2710 2.2711 k = 0.0000 0.4264 0.2071 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6556 -1.6556 -1.6552 -1.6552 -0.3348 -0.3348 -0.3317 -0.3317 0.1809 0.1809 0.1889 0.1889 1.8323 1.8323 1.8402 1.8402 2.2213 2.2213 k = 0.0000 0.4264 0.2278 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6561 -1.6561 -1.6559 -1.6559 -0.3358 -0.3358 -0.3334 -0.3334 0.1866 0.1866 0.1930 0.1930 1.8574 1.8574 1.8645 1.8645 2.1759 2.1759 k = 0.0000 0.4264 0.2485 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6566 -1.6566 -1.6564 -1.6564 -0.3364 -0.3364 -0.3347 -0.3347 0.1913 0.1913 0.1957 0.1957 1.8819 1.8819 1.8876 1.8876 2.1371 2.1371 k = 0.0000 0.4264 0.2692 ( 19894 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6568 -1.6568 -1.6567 -1.6567 -0.3366 -0.3366 -0.3357 -0.3357 0.1946 0.1946 0.1969 0.1969 1.9020 1.9020 1.9054 1.9054 2.1094 2.1094 k = 0.0000 0.4264 0.2899 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7307 -13.7307 -13.7307 -13.7307 -12.8654 -12.8654 -12.8654 -12.8654 -12.8289 -12.8289 -12.8289 -12.8289 -9.6541 -9.6541 -9.6541 -9.6541 -1.6569 -1.6569 -1.6569 -1.6569 -0.3363 -0.3363 -0.3363 -0.3363 0.1965 0.1965 0.1965 0.1965 1.9113 1.9113 1.9113 1.9113 2.0995 2.0995 k = 0.5000-0.0000 0.2899 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6504 -9.6504 -9.6504 -9.6504 -1.6694 -1.6694 -1.6694 -1.6694 -0.2809 -0.2809 -0.2809 -0.2809 0.0237 0.0237 0.0237 0.0237 2.0088 2.0088 2.0088 2.0088 2.2569 2.2569 k = 0.5000-0.0000 0.2692 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7311 -13.7311 -12.8662 -12.8662 -12.8662 -12.8662 -12.8289 -12.8289 -12.8289 -12.8289 -9.6508 -9.6508 -9.6501 -9.6501 -1.6716 -1.6716 -1.6672 -1.6672 -0.2850 -0.2850 -0.2764 -0.2764 0.0078 0.0078 0.0402 0.0402 1.9941 1.9941 2.0241 2.0241 2.2101 2.2101 k = 0.5000-0.0000 0.2485 ( 19870 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8289 -12.8289 -12.8289 -12.8289 -9.6511 -9.6511 -9.6498 -9.6498 -1.6738 -1.6738 -1.6650 -1.6650 -0.2888 -0.2888 -0.2717 -0.2717 -0.0076 -0.0076 0.0570 0.0570 1.9788 1.9788 2.0407 2.0407 2.1640 2.1640 k = 0.5000-0.0000 0.2278 ( 19862 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8289 -12.8289 -12.8289 -12.8289 -9.6514 -9.6514 -9.6495 -9.6495 -1.6759 -1.6759 -1.6629 -1.6629 -0.2922 -0.2922 -0.2669 -0.2669 -0.0222 -0.0222 0.0741 0.0741 1.9615 1.9615 2.0591 2.0591 2.1211 2.1211 k = 0.5000-0.0000 0.2071 ( 19896 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8289 -12.8289 -12.8289 -12.8289 -9.6517 -9.6517 -9.6492 -9.6492 -1.6780 -1.6780 -1.6609 -1.6609 -0.2950 -0.2950 -0.2621 -0.2621 -0.0360 -0.0360 0.0911 0.0911 1.9398 1.9398 2.0793 2.0793 2.0845 2.0845 k = 0.5000-0.0000 0.1864 ( 19888 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8662 -12.8662 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6520 -9.6520 -9.6489 -9.6489 -1.6799 -1.6799 -1.6591 -1.6591 -0.2974 -0.2974 -0.2574 -0.2574 -0.0488 -0.0488 0.1079 0.1079 1.9120 1.9120 2.0566 2.0566 2.1020 2.1020 k = 0.5000-0.0000 0.1657 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6522 -9.6522 -9.6486 -9.6486 -1.6817 -1.6817 -1.6574 -1.6574 -0.2993 -0.2993 -0.2530 -0.2530 -0.0605 -0.0605 0.1242 0.1242 1.8788 1.8788 2.0374 2.0374 2.1268 2.1268 k = 0.5000-0.0000 0.1450 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6525 -9.6525 -9.6484 -9.6484 -1.6834 -1.6834 -1.6559 -1.6559 -0.3008 -0.3008 -0.2489 -0.2489 -0.0711 -0.0711 0.1399 0.1399 1.8431 1.8431 2.0249 2.0249 2.1541 2.1541 k = 0.5000-0.0000 0.1243 ( 19856 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6527 -9.6527 -9.6482 -9.6482 -1.6849 -1.6849 -1.6545 -1.6545 -0.3018 -0.3018 -0.2452 -0.2452 -0.0804 -0.0804 0.1544 0.1544 1.8077 1.8077 2.0168 2.0168 2.1835 2.1835 k = 0.5000-0.0000 0.1036 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6529 -9.6529 -9.6480 -9.6480 -1.6861 -1.6861 -1.6534 -1.6534 -0.3025 -0.3025 -0.2421 -0.2421 -0.0884 -0.0884 0.1676 0.1676 1.7750 1.7750 2.0114 2.0114 2.2148 2.2148 k = 0.5000-0.0000 0.0828 ( 19852 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6531 -9.6531 -9.6478 -9.6478 -1.6872 -1.6872 -1.6524 -1.6524 -0.3029 -0.3029 -0.2396 -0.2396 -0.0950 -0.0950 0.1790 0.1790 1.7464 1.7464 2.0079 2.0079 2.2474 2.2474 k = 0.5000-0.0000 0.0621 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8661 -12.8661 -12.8289 -12.8289 -12.8288 -12.8288 -9.6532 -9.6532 -9.6477 -9.6477 -1.6880 -1.6880 -1.6517 -1.6517 -0.3031 -0.3031 -0.2376 -0.2376 -0.1002 -0.1002 0.1883 0.1883 1.7231 1.7231 2.0055 2.0055 2.2799 2.2799 k = 0.5000-0.0000 0.0414 ( 19868 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6886 -1.6886 -1.6511 -1.6511 -0.3032 -0.3032 -0.2362 -0.2362 -0.1039 -0.1039 0.1952 0.1952 1.7059 1.7059 2.0041 2.0041 2.3099 2.3099 k = 0.5000-0.0000 0.0207 ( 19874 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6890 -1.6890 -1.6508 -1.6508 -0.3032 -0.3032 -0.2354 -0.2354 -0.1061 -0.1061 0.1994 0.1994 1.6953 1.6953 2.0033 2.0033 2.3327 2.3327 k = 0.5000-0.0000-0.0000 ( 19866 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6975 -20.6975 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7311 -13.7311 -13.7310 -13.7310 -12.8663 -12.8663 -12.8660 -12.8660 -12.8289 -12.8289 -12.8288 -12.8288 -9.6533 -9.6533 -9.6476 -9.6476 -1.6891 -1.6891 -1.6507 -1.6507 -0.3032 -0.3032 -0.2351 -0.2351 -0.1068 -0.1068 0.2009 0.2009 1.6918 1.6918 2.0030 2.0030 2.3415 2.3415 k = 0.5000 0.4264-0.0000 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6620 -1.6620 -1.6620 -1.6620 -0.2179 -0.2179 -0.2179 -0.2179 -0.0122 -0.0122 -0.0122 -0.0122 1.6293 1.6293 1.6293 1.6293 2.6478 2.6478 k = 0.5000 0.4264 0.0207 ( 19860 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6622 -1.6622 -1.6620 -1.6620 -0.2208 -0.2208 -0.2161 -0.2161 -0.0152 -0.0152 -0.0076 -0.0076 1.6258 1.6258 1.6312 1.6312 2.6486 2.6501 k = 0.5000 0.4264 0.0414 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6624 -1.6624 -1.6620 -1.6620 -0.2246 -0.2246 -0.2156 -0.2156 -0.0162 -0.0162 -0.0016 -0.0016 1.6211 1.6211 1.6316 1.6316 2.6533 2.6534 k = 0.5000 0.4264 0.0621 ( 19868 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6627 -1.6627 -1.6621 -1.6621 -0.2289 -0.2289 -0.2166 -0.2166 -0.0153 -0.0153 0.0053 0.0053 1.6154 1.6154 1.6305 1.6305 2.6658 2.6658 k = 0.5000 0.4264 0.0828 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6630 -1.6630 -1.6623 -1.6623 -0.2336 -0.2336 -0.2188 -0.2188 -0.0124 -0.0124 0.0127 0.0127 1.6092 1.6092 1.6281 1.6281 2.6837 2.6837 k = 0.5000 0.4264 0.1036 ( 19912 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6633 -1.6633 -1.6625 -1.6625 -0.2382 -0.2382 -0.2220 -0.2220 -0.0080 -0.0080 0.0202 0.0202 1.6028 1.6028 1.6246 1.6246 2.7057 2.7057 k = 0.5000 0.4264 0.1243 ( 19904 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6637 -1.6637 -1.6628 -1.6628 -0.2426 -0.2426 -0.2260 -0.2260 -0.0022 -0.0022 0.0273 0.0273 1.5968 1.5968 1.6204 1.6204 2.7300 2.7300 k = 0.5000 0.4264 0.1450 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6641 -1.6641 -1.6631 -1.6631 -0.2466 -0.2466 -0.2304 -0.2304 0.0043 0.0043 0.0339 0.0339 1.5914 1.5914 1.6157 1.6157 2.7531 2.7531 k = 0.5000 0.4264 0.1657 ( 19892 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6644 -1.6644 -1.6635 -1.6635 -0.2501 -0.2501 -0.2350 -0.2350 0.0114 0.0114 0.0395 0.0395 1.5871 1.5871 1.6108 1.6108 2.7697 2.7697 k = 0.5000 0.4264 0.1864 ( 19884 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6647 -1.6647 -1.6638 -1.6638 -0.2529 -0.2529 -0.2396 -0.2396 0.0186 0.0186 0.0440 0.0440 1.5838 1.5838 1.6058 1.6058 2.7751 2.7751 k = 0.5000 0.4264 0.2071 ( 19900 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6649 -1.6649 -1.6642 -1.6642 -0.2550 -0.2550 -0.2438 -0.2438 0.0256 0.0256 0.0473 0.0473 1.5818 1.5818 1.6009 1.6009 2.7711 2.7712 k = 0.5000 0.4264 0.2278 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6651 -1.6651 -1.6645 -1.6645 -0.2563 -0.2563 -0.2476 -0.2476 0.0321 0.0321 0.0492 0.0492 1.5811 1.5811 1.5963 1.5963 2.7650 2.7688 k = 0.5000 0.4264 0.2485 ( 19876 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6652 -1.6652 -1.6648 -1.6648 -0.2568 -0.2568 -0.2509 -0.2509 0.0378 0.0378 0.0496 0.0496 1.5815 1.5815 1.5921 1.5921 2.7566 2.7599 k = 0.5000 0.4264 0.2692 ( 19880 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6652 -1.6652 -1.6650 -1.6650 -0.2565 -0.2565 -0.2535 -0.2535 0.0426 0.0426 0.0486 0.0486 1.5829 1.5829 1.5884 1.5884 2.7515 2.7525 k = 0.5000 0.4264 0.2899 ( 19864 PWs) bands (ev): -29.0766 -29.0766 -29.0766 -29.0766 -23.7115 -23.7115 -23.7115 -23.7115 -23.6567 -23.6567 -23.6567 -23.6567 -20.7324 -20.7324 -20.7324 -20.7324 -20.6974 -20.6974 -20.6974 -20.6974 -20.6582 -20.6582 -20.6582 -20.6582 -13.7312 -13.7312 -13.7312 -13.7312 -12.8661 -12.8661 -12.8661 -12.8661 -12.8293 -12.8293 -12.8293 -12.8293 -9.6495 -9.6495 -9.6495 -9.6495 -1.6651 -1.6651 -1.6651 -1.6651 -0.2553 -0.2553 -0.2553 -0.2553 0.0462 0.0462 0.0462 0.0462 1.5853 1.5853 1.5853 1.5853 2.7500 2.7500 Writing output data file RbBi.save init_run : 1.00s CPU 1.26s WALL ( 1 calls) electrons : 544.34s CPU 549.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 544.33s CPU 549.19s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.04s WALL ( 1 calls) newd : 0.21s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 252 calls) cegterg : 507.45s CPU 511.04s WALL ( 590 calls) Called by sum_band: Called by *egterg: h_psi : 307.00s CPU 310.48s WALL ( 10079 calls) s_psi : 7.44s CPU 7.50s WALL ( 10079 calls) g_psi : 0.48s CPU 0.50s WALL ( 9237 calls) cdiaghg : 168.42s CPU 169.01s WALL ( 9489 calls) cegterg:over : 21.14s CPU 21.15s WALL ( 9237 calls) cegterg:upda : 17.17s CPU 17.26s WALL ( 9237 calls) cegterg:last : 7.26s CPU 7.18s WALL ( 1094 calls) cdiaghg:chol : 5.63s CPU 5.64s WALL ( 9489 calls) cdiaghg:inve : 3.21s CPU 3.13s WALL ( 9489 calls) cdiaghg:para : 10.02s CPU 10.27s WALL ( 18978 calls) Called by h_psi: h_psi:vloc : 287.70s CPU 291.08s WALL ( 10079 calls) h_psi:vnl : 18.72s CPU 18.77s WALL ( 10079 calls) add_vuspsi : 8.62s CPU 8.44s WALL ( 10079 calls) General routines calbec : 10.05s CPU 10.30s WALL ( 10079 calls) fft : 0.08s CPU 0.08s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 271.87s CPU 275.15s WALL ( 774948 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.27s CPU 0.67s WALL ( 504 calls) Parallel routines fft_scatter : 179.03s CPU 181.01s WALL ( 774971 calls) PWSCF : 10m12.24s CPU 10m31.25s WALL This run was terminated on: 2:48:26 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=