Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20:37:37 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: ./RbTeAu.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 50 20 5 3000 730 111 Max 51 21 6 3007 773 120 Sum 3635 1441 417 216159 53953 8383 bravais-lattice index = 14 lattice parameter (alat) = 9.5960 a.u. unit-cell volume = 1465.6055 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.596029 celldm(2)= 1.168964 celldm(3)= 1.418866 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 1.168964 0.000000 ) a(3) = ( 0.000000 0.000000 1.418866 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.855458 -0.000000 ) b(3) = ( 0.000000 0.000000 0.704788 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0161290 -0.0000000 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0322581 -0.0000000 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0483871 -0.0000000 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0030120 k( 8) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0030120 k( 9) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1451613 -0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1774194 -0.0000000 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1935484 -0.0000000 -0.0000000), wk = 0.0030120 k( 14) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0030120 k( 15) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0030120 k( 16) = ( 0.2419355 -0.0000000 -0.0000000), wk = 0.0030120 k( 17) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0030120 k( 18) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2903226 -0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.3064516 -0.0000000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0030120 k( 22) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0030120 k( 24) = ( 0.3709677 -0.0000000 -0.0000000), wk = 0.0030120 k( 25) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0030120 k( 26) = ( 0.4032258 -0.0000000 -0.0000000), wk = 0.0030120 k( 27) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0030120 k( 28) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0030120 k( 29) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0030120 k( 30) = ( 0.4677419 -0.0000000 -0.0000000), wk = 0.0030120 k( 31) = ( 0.4838710 -0.0000000 -0.0000000), wk = 0.0030120 k( 32) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.5000000 0.0158418 -0.0000000), wk = 0.0030120 k( 35) = ( 0.5000000 0.0316836 -0.0000000), wk = 0.0030120 k( 36) = ( 0.5000000 0.0475255 -0.0000000), wk = 0.0030120 k( 37) = ( 0.5000000 0.0633673 -0.0000000), wk = 0.0030120 k( 38) = ( 0.5000000 0.0792091 -0.0000000), wk = 0.0030120 k( 39) = ( 0.5000000 0.0950509 -0.0000000), wk = 0.0030120 k( 40) = ( 0.5000000 0.1108927 -0.0000000), wk = 0.0030120 k( 41) = ( 0.5000000 0.1267346 -0.0000000), wk = 0.0030120 k( 42) = ( 0.5000000 0.1425764 -0.0000000), wk = 0.0030120 k( 43) = ( 0.5000000 0.1584182 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.1742600 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.1901018 -0.0000000), wk = 0.0030120 k( 46) = ( 0.5000000 0.2059436 -0.0000000), wk = 0.0030120 k( 47) = ( 0.5000000 0.2217855 -0.0000000), wk = 0.0030120 k( 48) = ( 0.5000000 0.2376273 -0.0000000), wk = 0.0030120 k( 49) = ( 0.5000000 0.2534691 -0.0000000), wk = 0.0030120 k( 50) = ( 0.5000000 0.2693109 -0.0000000), wk = 0.0030120 k( 51) = ( 0.5000000 0.2851527 -0.0000000), wk = 0.0030120 k( 52) = ( 0.5000000 0.3009946 -0.0000000), wk = 0.0030120 k( 53) = ( 0.5000000 0.3168364 -0.0000000), wk = 0.0030120 k( 54) = ( 0.5000000 0.3326782 -0.0000000), wk = 0.0030120 k( 55) = ( 0.5000000 0.3485200 -0.0000000), wk = 0.0030120 k( 56) = ( 0.5000000 0.3643618 -0.0000000), wk = 0.0030120 k( 57) = ( 0.5000000 0.3802036 -0.0000000), wk = 0.0030120 k( 58) = ( 0.5000000 0.3960455 -0.0000000), wk = 0.0030120 k( 59) = ( 0.5000000 0.4118873 -0.0000000), wk = 0.0030120 k( 60) = ( 0.5000000 0.4277291 -0.0000000), wk = 0.0030120 k( 61) = ( 0.5000000 0.4277291 -0.0000000), wk = 0.0030120 k( 62) = ( 0.4838710 0.4277291 -0.0000000), wk = 0.0030120 k( 63) = ( 0.4677419 0.4277291 -0.0000000), wk = 0.0030120 k( 64) = ( 0.4516129 0.4277291 -0.0000000), wk = 0.0030120 k( 65) = ( 0.4354839 0.4277291 -0.0000000), wk = 0.0030120 k( 66) = ( 0.4193548 0.4277291 -0.0000000), wk = 0.0030120 k( 67) = ( 0.4032258 0.4277291 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3870968 0.4277291 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3709677 0.4277291 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3548387 0.4277291 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3387097 0.4277291 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3225807 0.4277291 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3064516 0.4277291 -0.0000000), wk = 0.0030120 k( 74) = ( 0.2903226 0.4277291 -0.0000000), wk = 0.0030120 k( 75) = ( 0.2741936 0.4277291 -0.0000000), wk = 0.0030120 k( 76) = ( 0.2580645 0.4277291 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2419355 0.4277291 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2258064 0.4277291 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2096774 0.4277291 -0.0000000), wk = 0.0030120 k( 80) = ( 0.1935484 0.4277291 -0.0000000), wk = 0.0030120 k( 81) = ( 0.1774194 0.4277291 -0.0000000), wk = 0.0030120 k( 82) = ( 0.1612903 0.4277291 -0.0000000), wk = 0.0030120 k( 83) = ( 0.1451613 0.4277291 -0.0000000), wk = 0.0030120 k( 84) = ( 0.1290323 0.4277291 -0.0000000), wk = 0.0030120 k( 85) = ( 0.1129032 0.4277291 -0.0000000), wk = 0.0030120 k( 86) = ( 0.0967742 0.4277291 -0.0000000), wk = 0.0030120 k( 87) = ( 0.0806452 0.4277291 -0.0000000), wk = 0.0030120 k( 88) = ( 0.0645161 0.4277291 -0.0000000), wk = 0.0030120 k( 89) = ( 0.0483871 0.4277291 -0.0000000), wk = 0.0030120 k( 90) = ( 0.0322581 0.4277291 -0.0000000), wk = 0.0030120 k( 91) = ( 0.0161290 0.4277291 -0.0000000), wk = 0.0030120 k( 92) = ( 0.0000000 0.4277291 -0.0000000), wk = 0.0030120 k( 93) = ( 0.0000000 0.4277291 -0.0000000), wk = 0.0030120 k( 94) = ( 0.0000000 0.4118873 -0.0000000), wk = 0.0030120 k( 95) = ( 0.0000000 0.3960455 -0.0000000), wk = 0.0030120 k( 96) = ( 0.0000000 0.3802036 -0.0000000), wk = 0.0030120 k( 97) = ( 0.0000000 0.3643618 -0.0000000), wk = 0.0030120 k( 98) = ( 0.0000000 0.3485200 -0.0000000), wk = 0.0030120 k( 99) = ( 0.0000000 0.3326782 -0.0000000), wk = 0.0030120 k( 100) = ( 0.0000000 0.3168364 -0.0000000), wk = 0.0030120 k( 101) = ( 0.0000000 0.3009946 -0.0000000), wk = 0.0030120 k( 102) = ( 0.0000000 0.2851527 -0.0000000), wk = 0.0030120 k( 103) = ( 0.0000000 0.2693109 -0.0000000), wk = 0.0030120 k( 104) = ( 0.0000000 0.2534691 -0.0000000), wk = 0.0030120 k( 105) = ( 0.0000000 0.2376273 -0.0000000), wk = 0.0030120 k( 106) = ( 0.0000000 0.2217855 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0000000 0.2059436 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0000000 0.1901018 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0000000 0.1742600 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0000000 0.1584182 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0000000 0.1425764 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0000000 0.1267346 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0000000 0.1108927 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0000000 0.0950509 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0000000 0.0792091 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0000000 0.0633673 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0000000 0.0475255 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0000000 0.0316836 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0000000 0.0158418 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0160179), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0320358), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0480538), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0640717), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0800896), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0961075), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.1121254), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.1281433), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1441612), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1601792), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1761971), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1922150), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.2082329), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.2242508), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.2402688), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2562867), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2723046), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2883225), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.3043404), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.3203583), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.3363763), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.3523942), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.3523942), wk = 0.0030120 k( 145) = ( 0.0161290 -0.0000000 0.3523942), wk = 0.0030120 k( 146) = ( 0.0322581 -0.0000000 0.3523942), wk = 0.0030120 k( 147) = ( 0.0483871 -0.0000000 0.3523942), wk = 0.0030120 k( 148) = ( 0.0645161 -0.0000000 0.3523942), wk = 0.0030120 k( 149) = ( 0.0806452 -0.0000000 0.3523942), wk = 0.0030120 k( 150) = ( 0.0967742 -0.0000000 0.3523942), wk = 0.0030120 k( 151) = ( 0.1129032 -0.0000000 0.3523942), wk = 0.0030120 k( 152) = ( 0.1290323 -0.0000000 0.3523942), wk = 0.0030120 k( 153) = ( 0.1451613 -0.0000000 0.3523942), wk = 0.0030120 k( 154) = ( 0.1612903 -0.0000000 0.3523942), wk = 0.0030120 k( 155) = ( 0.1774194 -0.0000000 0.3523942), wk = 0.0030120 k( 156) = ( 0.1935484 -0.0000000 0.3523942), wk = 0.0030120 k( 157) = ( 0.2096774 -0.0000000 0.3523942), wk = 0.0030120 k( 158) = ( 0.2258064 -0.0000000 0.3523942), wk = 0.0030120 k( 159) = ( 0.2419355 -0.0000000 0.3523942), wk = 0.0030120 k( 160) = ( 0.2580645 -0.0000000 0.3523942), wk = 0.0030120 k( 161) = ( 0.2741936 -0.0000000 0.3523942), wk = 0.0030120 k( 162) = ( 0.2903226 -0.0000000 0.3523942), wk = 0.0030120 k( 163) = ( 0.3064516 -0.0000000 0.3523942), wk = 0.0030120 k( 164) = ( 0.3225807 -0.0000000 0.3523942), wk = 0.0030120 k( 165) = ( 0.3387097 -0.0000000 0.3523942), wk = 0.0030120 k( 166) = ( 0.3548387 -0.0000000 0.3523942), wk = 0.0030120 k( 167) = ( 0.3709677 -0.0000000 0.3523942), wk = 0.0030120 k( 168) = ( 0.3870968 -0.0000000 0.3523942), wk = 0.0030120 k( 169) = ( 0.4032258 -0.0000000 0.3523942), wk = 0.0030120 k( 170) = ( 0.4193548 -0.0000000 0.3523942), wk = 0.0030120 k( 171) = ( 0.4354839 -0.0000000 0.3523942), wk = 0.0030120 k( 172) = ( 0.4516129 -0.0000000 0.3523942), wk = 0.0030120 k( 173) = ( 0.4677419 -0.0000000 0.3523942), wk = 0.0030120 k( 174) = ( 0.4838710 -0.0000000 0.3523942), wk = 0.0030120 k( 175) = ( 0.5000000 -0.0000000 0.3523942), wk = 0.0030120 k( 176) = ( 0.5000000 -0.0000000 0.3523942), wk = 0.0030120 k( 177) = ( 0.5000000 0.0158418 0.3523942), wk = 0.0030120 k( 178) = ( 0.5000000 0.0316836 0.3523942), wk = 0.0030120 k( 179) = ( 0.5000000 0.0475255 0.3523942), wk = 0.0030120 k( 180) = ( 0.5000000 0.0633673 0.3523942), wk = 0.0030120 k( 181) = ( 0.5000000 0.0792091 0.3523942), wk = 0.0030120 k( 182) = ( 0.5000000 0.0950509 0.3523942), wk = 0.0030120 k( 183) = ( 0.5000000 0.1108927 0.3523942), wk = 0.0030120 k( 184) = ( 0.5000000 0.1267346 0.3523942), wk = 0.0030120 k( 185) = ( 0.5000000 0.1425764 0.3523942), wk = 0.0030120 k( 186) = ( 0.5000000 0.1584182 0.3523942), wk = 0.0030120 k( 187) = ( 0.5000000 0.1742600 0.3523942), wk = 0.0030120 k( 188) = ( 0.5000000 0.1901018 0.3523942), wk = 0.0030120 k( 189) = ( 0.5000000 0.2059436 0.3523942), wk = 0.0030120 k( 190) = ( 0.5000000 0.2217855 0.3523942), wk = 0.0030120 k( 191) = ( 0.5000000 0.2376273 0.3523942), wk = 0.0030120 k( 192) = ( 0.5000000 0.2534691 0.3523942), wk = 0.0030120 k( 193) = ( 0.5000000 0.2693109 0.3523942), wk = 0.0030120 k( 194) = ( 0.5000000 0.2851527 0.3523942), wk = 0.0030120 k( 195) = ( 0.5000000 0.3009946 0.3523942), wk = 0.0030120 k( 196) = ( 0.5000000 0.3168364 0.3523942), wk = 0.0030120 k( 197) = ( 0.5000000 0.3326782 0.3523942), wk = 0.0030120 k( 198) = ( 0.5000000 0.3485200 0.3523942), wk = 0.0030120 k( 199) = ( 0.5000000 0.3643618 0.3523942), wk = 0.0030120 k( 200) = ( 0.5000000 0.3802036 0.3523942), wk = 0.0030120 k( 201) = ( 0.5000000 0.3960455 0.3523942), wk = 0.0030120 k( 202) = ( 0.5000000 0.4118873 0.3523942), wk = 0.0030120 k( 203) = ( 0.5000000 0.4277291 0.3523942), wk = 0.0030120 k( 204) = ( 0.5000000 0.4277291 0.3523942), wk = 0.0030120 k( 205) = ( 0.4838710 0.4277291 0.3523942), wk = 0.0030120 k( 206) = ( 0.4677419 0.4277291 0.3523942), wk = 0.0030120 k( 207) = ( 0.4516129 0.4277291 0.3523942), wk = 0.0030120 k( 208) = ( 0.4354839 0.4277291 0.3523942), wk = 0.0030120 k( 209) = ( 0.4193548 0.4277291 0.3523942), wk = 0.0030120 k( 210) = ( 0.4032258 0.4277291 0.3523942), wk = 0.0030120 k( 211) = ( 0.3870968 0.4277291 0.3523942), wk = 0.0030120 k( 212) = ( 0.3709677 0.4277291 0.3523942), wk = 0.0030120 k( 213) = ( 0.3548387 0.4277291 0.3523942), wk = 0.0030120 k( 214) = ( 0.3387097 0.4277291 0.3523942), wk = 0.0030120 k( 215) = ( 0.3225807 0.4277291 0.3523942), wk = 0.0030120 k( 216) = ( 0.3064516 0.4277291 0.3523942), wk = 0.0030120 k( 217) = ( 0.2903226 0.4277291 0.3523942), wk = 0.0030120 k( 218) = ( 0.2741936 0.4277291 0.3523942), wk = 0.0030120 k( 219) = ( 0.2580645 0.4277291 0.3523942), wk = 0.0030120 k( 220) = ( 0.2419355 0.4277291 0.3523942), wk = 0.0030120 k( 221) = ( 0.2258064 0.4277291 0.3523942), wk = 0.0030120 k( 222) = ( 0.2096774 0.4277291 0.3523942), wk = 0.0030120 k( 223) = ( 0.1935484 0.4277291 0.3523942), wk = 0.0030120 k( 224) = ( 0.1774194 0.4277291 0.3523942), wk = 0.0030120 k( 225) = ( 0.1612903 0.4277291 0.3523942), wk = 0.0030120 k( 226) = ( 0.1451613 0.4277291 0.3523942), wk = 0.0030120 k( 227) = ( 0.1290323 0.4277291 0.3523942), wk = 0.0030120 k( 228) = ( 0.1129032 0.4277291 0.3523942), wk = 0.0030120 k( 229) = ( 0.0967742 0.4277291 0.3523942), wk = 0.0030120 k( 230) = ( 0.0806452 0.4277291 0.3523942), wk = 0.0030120 k( 231) = ( 0.0645161 0.4277291 0.3523942), wk = 0.0030120 k( 232) = ( 0.0483871 0.4277291 0.3523942), wk = 0.0030120 k( 233) = ( 0.0322581 0.4277291 0.3523942), wk = 0.0030120 k( 234) = ( 0.0161290 0.4277291 0.3523942), wk = 0.0030120 k( 235) = ( 0.0000000 0.4277291 0.3523942), wk = 0.0030120 k( 236) = ( 0.0000000 0.4277291 0.3523942), wk = 0.0030120 k( 237) = ( 0.0000000 0.4118873 0.3523942), wk = 0.0030120 k( 238) = ( 0.0000000 0.3960455 0.3523942), wk = 0.0030120 k( 239) = ( 0.0000000 0.3802036 0.3523942), wk = 0.0030120 k( 240) = ( 0.0000000 0.3643618 0.3523942), wk = 0.0030120 k( 241) = ( 0.0000000 0.3485200 0.3523942), wk = 0.0030120 k( 242) = ( 0.0000000 0.3326782 0.3523942), wk = 0.0030120 k( 243) = ( 0.0000000 0.3168364 0.3523942), wk = 0.0030120 k( 244) = ( 0.0000000 0.3009946 0.3523942), wk = 0.0030120 k( 245) = ( 0.0000000 0.2851527 0.3523942), wk = 0.0030120 k( 246) = ( 0.0000000 0.2693109 0.3523942), wk = 0.0030120 k( 247) = ( 0.0000000 0.2534691 0.3523942), wk = 0.0030120 k( 248) = ( 0.0000000 0.2376273 0.3523942), wk = 0.0030120 k( 249) = ( 0.0000000 0.2217855 0.3523942), wk = 0.0030120 k( 250) = ( 0.0000000 0.2059436 0.3523942), wk = 0.0030120 k( 251) = ( 0.0000000 0.1901018 0.3523942), wk = 0.0030120 k( 252) = ( 0.0000000 0.1742600 0.3523942), wk = 0.0030120 k( 253) = ( 0.0000000 0.1584182 0.3523942), wk = 0.0030120 k( 254) = ( 0.0000000 0.1425764 0.3523942), wk = 0.0030120 k( 255) = ( 0.0000000 0.1267346 0.3523942), wk = 0.0030120 k( 256) = ( 0.0000000 0.1108927 0.3523942), wk = 0.0030120 k( 257) = ( 0.0000000 0.0950509 0.3523942), wk = 0.0030120 k( 258) = ( 0.0000000 0.0792091 0.3523942), wk = 0.0030120 k( 259) = ( 0.0000000 0.0633673 0.3523942), wk = 0.0030120 k( 260) = ( 0.0000000 0.0475255 0.3523942), wk = 0.0030120 k( 261) = ( 0.0000000 0.0316836 0.3523942), wk = 0.0030120 k( 262) = ( 0.0000000 0.0158418 0.3523942), wk = 0.0030120 k( 263) = ( 0.0000000 0.0000000 0.3523942), wk = 0.0030120 k( 264) = ( 0.0000000 0.4277291 -0.0000000), wk = 0.0030120 k( 265) = ( 0.0000000 0.4277291 0.0160179), wk = 0.0030120 k( 266) = ( 0.0000000 0.4277291 0.0320358), wk = 0.0030120 k( 267) = ( 0.0000000 0.4277291 0.0480538), wk = 0.0030120 k( 268) = ( 0.0000000 0.4277291 0.0640717), wk = 0.0030120 k( 269) = ( 0.0000000 0.4277291 0.0800896), wk = 0.0030120 k( 270) = ( 0.0000000 0.4277291 0.0961075), wk = 0.0030120 k( 271) = ( 0.0000000 0.4277291 0.1121254), wk = 0.0030120 k( 272) = ( 0.0000000 0.4277291 0.1281433), wk = 0.0030120 k( 273) = ( 0.0000000 0.4277291 0.1441612), wk = 0.0030120 k( 274) = ( 0.0000000 0.4277291 0.1601792), wk = 0.0030120 k( 275) = ( 0.0000000 0.4277291 0.1761971), wk = 0.0030120 k( 276) = ( 0.0000000 0.4277291 0.1922150), wk = 0.0030120 k( 277) = ( 0.0000000 0.4277291 0.2082329), wk = 0.0030120 k( 278) = ( 0.0000000 0.4277291 0.2242508), wk = 0.0030120 k( 279) = ( 0.0000000 0.4277291 0.2402688), wk = 0.0030120 k( 280) = ( 0.0000000 0.4277291 0.2562867), wk = 0.0030120 k( 281) = ( 0.0000000 0.4277291 0.2723046), wk = 0.0030120 k( 282) = ( 0.0000000 0.4277291 0.2883225), wk = 0.0030120 k( 283) = ( 0.0000000 0.4277291 0.3043404), wk = 0.0030120 k( 284) = ( 0.0000000 0.4277291 0.3203583), wk = 0.0030120 k( 285) = ( 0.0000000 0.4277291 0.3363763), wk = 0.0030120 k( 286) = ( 0.0000000 0.4277291 0.3523942), wk = 0.0030120 k( 287) = ( 0.5000000 -0.0000000 0.3523942), wk = 0.0030120 k( 288) = ( 0.5000000 -0.0000000 0.3363763), wk = 0.0030120 k( 289) = ( 0.5000000 -0.0000000 0.3203583), wk = 0.0030120 k( 290) = ( 0.5000000 -0.0000000 0.3043404), wk = 0.0030120 k( 291) = ( 0.5000000 -0.0000000 0.2883225), wk = 0.0030120 k( 292) = ( 0.5000000 -0.0000000 0.2723046), wk = 0.0030120 k( 293) = ( 0.5000000 -0.0000000 0.2562867), wk = 0.0030120 k( 294) = ( 0.5000000 -0.0000000 0.2402688), wk = 0.0030120 k( 295) = ( 0.5000000 -0.0000000 0.2242508), wk = 0.0030120 k( 296) = ( 0.5000000 -0.0000000 0.2082329), wk = 0.0030120 k( 297) = ( 0.5000000 -0.0000000 0.1922150), wk = 0.0030120 k( 298) = ( 0.5000000 -0.0000000 0.1761971), wk = 0.0030120 k( 299) = ( 0.5000000 -0.0000000 0.1601792), wk = 0.0030120 k( 300) = ( 0.5000000 -0.0000000 0.1441612), wk = 0.0030120 k( 301) = ( 0.5000000 -0.0000000 0.1281433), wk = 0.0030120 k( 302) = ( 0.5000000 -0.0000000 0.1121254), wk = 0.0030120 k( 303) = ( 0.5000000 -0.0000000 0.0961075), wk = 0.0030120 k( 304) = ( 0.5000000 -0.0000000 0.0800896), wk = 0.0030120 k( 305) = ( 0.5000000 -0.0000000 0.0640717), wk = 0.0030120 k( 306) = ( 0.5000000 -0.0000000 0.0480538), wk = 0.0030120 k( 307) = ( 0.5000000 -0.0000000 0.0320358), wk = 0.0030120 k( 308) = ( 0.5000000 -0.0000000 0.0160179), wk = 0.0030120 k( 309) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 310) = ( 0.5000000 0.4277291 -0.0000000), wk = 0.0030120 k( 311) = ( 0.5000000 0.4277291 0.0160179), wk = 0.0030120 k( 312) = ( 0.5000000 0.4277291 0.0320358), wk = 0.0030120 k( 313) = ( 0.5000000 0.4277291 0.0480538), wk = 0.0030120 k( 314) = ( 0.5000000 0.4277291 0.0640717), wk = 0.0030120 k( 315) = ( 0.5000000 0.4277291 0.0800896), wk = 0.0030120 k( 316) = ( 0.5000000 0.4277291 0.0961075), wk = 0.0030120 k( 317) = ( 0.5000000 0.4277291 0.1121254), wk = 0.0030120 k( 318) = ( 0.5000000 0.4277291 0.1281433), wk = 0.0030120 k( 319) = ( 0.5000000 0.4277291 0.1441612), wk = 0.0030120 k( 320) = ( 0.5000000 0.4277291 0.1601792), wk = 0.0030120 k( 321) = ( 0.5000000 0.4277291 0.1761971), wk = 0.0030120 k( 322) = ( 0.5000000 0.4277291 0.1922150), wk = 0.0030120 k( 323) = ( 0.5000000 0.4277291 0.2082329), wk = 0.0030120 k( 324) = ( 0.5000000 0.4277291 0.2242508), wk = 0.0030120 k( 325) = ( 0.5000000 0.4277291 0.2402688), wk = 0.0030120 k( 326) = ( 0.5000000 0.4277291 0.2562867), wk = 0.0030120 k( 327) = ( 0.5000000 0.4277291 0.2723046), wk = 0.0030120 k( 328) = ( 0.5000000 0.4277291 0.2883225), wk = 0.0030120 k( 329) = ( 0.5000000 0.4277291 0.3043404), wk = 0.0030120 k( 330) = ( 0.5000000 0.4277291 0.3203583), wk = 0.0030120 k( 331) = ( 0.5000000 0.4277291 0.3363763), wk = 0.0030120 k( 332) = ( 0.5000000 0.4277291 0.3523942), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0030120 k( 3) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0030120 k( 4) = ( 0.0483871 0.0000000 0.0000000), wk = 0.0030120 k( 5) = ( 0.0645161 0.0000000 0.0000000), wk = 0.0030120 k( 6) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0030120 k( 8) = ( 0.1129032 0.0000000 0.0000000), wk = 0.0030120 k( 9) = ( 0.1290323 0.0000000 0.0000000), wk = 0.0030120 k( 10) = ( 0.1451613 -0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1774194 0.0000000 0.0000000), wk = 0.0030120 k( 13) = ( 0.1935484 -0.0000000 0.0000000), wk = 0.0030120 k( 14) = ( 0.2096774 0.0000000 0.0000000), wk = 0.0030120 k( 15) = ( 0.2258064 -0.0000000 0.0000000), wk = 0.0030120 k( 16) = ( 0.2419355 0.0000000 0.0000000), wk = 0.0030120 k( 17) = ( 0.2580645 0.0000000 0.0000000), wk = 0.0030120 k( 18) = ( 0.2741936 0.0000000 0.0000000), wk = 0.0030120 k( 19) = ( 0.2903226 -0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.3064516 -0.0000000 0.0000000), wk = 0.0030120 k( 21) = ( 0.3225807 0.0000000 0.0000000), wk = 0.0030120 k( 22) = ( 0.3387097 0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.3548387 0.0000000 0.0000000), wk = 0.0030120 k( 24) = ( 0.3709677 -0.0000000 -0.0000000), wk = 0.0030120 k( 25) = ( 0.3870968 0.0000000 0.0000000), wk = 0.0030120 k( 26) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0030120 k( 27) = ( 0.4193548 0.0000000 0.0000000), wk = 0.0030120 k( 28) = ( 0.4354839 0.0000000 0.0000000), wk = 0.0030120 k( 29) = ( 0.4516129 -0.0000000 0.0000000), wk = 0.0030120 k( 30) = ( 0.4677419 0.0000000 0.0000000), wk = 0.0030120 k( 31) = ( 0.4838710 0.0000000 0.0000000), wk = 0.0030120 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.5000000 0.0185185 0.0000000), wk = 0.0030120 k( 35) = ( 0.5000000 0.0370370 0.0000000), wk = 0.0030120 k( 36) = ( 0.5000000 0.0555556 0.0000000), wk = 0.0030120 k( 37) = ( 0.5000000 0.0740741 0.0000000), wk = 0.0030120 k( 38) = ( 0.5000000 0.0925926 0.0000000), wk = 0.0030120 k( 39) = ( 0.5000000 0.1111111 0.0000000), wk = 0.0030120 k( 40) = ( 0.5000000 0.1296296 -0.0000000), wk = 0.0030120 k( 41) = ( 0.5000000 0.1481482 -0.0000000), wk = 0.0030120 k( 42) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0030120 k( 43) = ( 0.5000000 0.1851852 0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.2037037 0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.2222222 -0.0000000), wk = 0.0030120 k( 46) = ( 0.5000000 0.2407407 -0.0000000), wk = 0.0030120 k( 47) = ( 0.5000000 0.2592593 -0.0000000), wk = 0.0030120 k( 48) = ( 0.5000000 0.2777778 -0.0000000), wk = 0.0030120 k( 49) = ( 0.5000000 0.2962963 0.0000000), wk = 0.0030120 k( 50) = ( 0.5000000 0.3148148 0.0000000), wk = 0.0030120 k( 51) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0030120 k( 52) = ( 0.5000000 0.3518519 -0.0000000), wk = 0.0030120 k( 53) = ( 0.5000000 0.3703704 -0.0000000), wk = 0.0030120 k( 54) = ( 0.5000000 0.3888889 -0.0000000), wk = 0.0030120 k( 55) = ( 0.5000000 0.4074074 -0.0000000), wk = 0.0030120 k( 56) = ( 0.5000000 0.4259259 0.0000000), wk = 0.0030120 k( 57) = ( 0.5000000 0.4444444 -0.0000000), wk = 0.0030120 k( 58) = ( 0.5000000 0.4629630 -0.0000000), wk = 0.0030120 k( 59) = ( 0.5000000 0.4814815 -0.0000000), wk = 0.0030120 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 62) = ( 0.4838710 0.5000000 0.0000000), wk = 0.0030120 k( 63) = ( 0.4677419 0.5000000 -0.0000000), wk = 0.0030120 k( 64) = ( 0.4516129 0.5000000 0.0000000), wk = 0.0030120 k( 65) = ( 0.4354839 0.5000000 0.0000000), wk = 0.0030120 k( 66) = ( 0.4193548 0.5000000 0.0000000), wk = 0.0030120 k( 67) = ( 0.4032258 0.5000000 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3870968 0.5000000 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3709677 0.5000000 0.0000000), wk = 0.0030120 k( 70) = ( 0.3548387 0.5000000 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3387097 0.5000000 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3225807 0.5000000 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3064516 0.5000000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.2903226 0.5000000 -0.0000000), wk = 0.0030120 k( 75) = ( 0.2741936 0.5000000 0.0000000), wk = 0.0030120 k( 76) = ( 0.2580645 0.5000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2419355 0.5000000 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2258064 0.5000000 0.0000000), wk = 0.0030120 k( 79) = ( 0.2096774 0.5000000 0.0000000), wk = 0.0030120 k( 80) = ( 0.1935484 0.5000000 -0.0000000), wk = 0.0030120 k( 81) = ( 0.1774194 0.5000000 -0.0000000), wk = 0.0030120 k( 82) = ( 0.1612903 0.5000000 -0.0000000), wk = 0.0030120 k( 83) = ( 0.1451613 0.5000000 -0.0000000), wk = 0.0030120 k( 84) = ( 0.1290323 0.5000000 0.0000000), wk = 0.0030120 k( 85) = ( 0.1129032 0.5000000 -0.0000000), wk = 0.0030120 k( 86) = ( 0.0967742 0.5000000 -0.0000000), wk = 0.0030120 k( 87) = ( 0.0806452 0.5000000 -0.0000000), wk = 0.0030120 k( 88) = ( 0.0645161 0.5000000 -0.0000000), wk = 0.0030120 k( 89) = ( 0.0483871 0.5000000 -0.0000000), wk = 0.0030120 k( 90) = ( 0.0322581 0.5000000 -0.0000000), wk = 0.0030120 k( 91) = ( 0.0161290 0.5000000 -0.0000000), wk = 0.0030120 k( 92) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 93) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 94) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0030120 k( 95) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0030120 k( 96) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0030120 k( 97) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0030120 k( 98) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0030120 k( 99) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0030120 k( 100) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0030120 k( 101) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0030120 k( 102) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030120 k( 103) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0030120 k( 104) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0030120 k( 105) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0030120 k( 106) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 145) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0030120 k( 146) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0030120 k( 147) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0030120 k( 148) = ( 0.0645161 0.0000000 0.5000000), wk = 0.0030120 k( 149) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0030120 k( 150) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0030120 k( 151) = ( 0.1129032 0.0000000 0.5000000), wk = 0.0030120 k( 152) = ( 0.1290323 0.0000000 0.5000000), wk = 0.0030120 k( 153) = ( 0.1451613 -0.0000000 0.5000000), wk = 0.0030120 k( 154) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0030120 k( 155) = ( 0.1774194 0.0000000 0.5000000), wk = 0.0030120 k( 156) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0030120 k( 157) = ( 0.2096774 0.0000000 0.5000000), wk = 0.0030120 k( 158) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0030120 k( 159) = ( 0.2419355 0.0000000 0.5000000), wk = 0.0030120 k( 160) = ( 0.2580645 0.0000000 0.5000000), wk = 0.0030120 k( 161) = ( 0.2741936 0.0000000 0.5000000), wk = 0.0030120 k( 162) = ( 0.2903226 -0.0000000 0.5000000), wk = 0.0030120 k( 163) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0030120 k( 164) = ( 0.3225807 0.0000000 0.5000000), wk = 0.0030120 k( 165) = ( 0.3387097 0.0000000 0.5000000), wk = 0.0030120 k( 166) = ( 0.3548387 0.0000000 0.5000000), wk = 0.0030120 k( 167) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0030120 k( 168) = ( 0.3870968 0.0000000 0.5000000), wk = 0.0030120 k( 169) = ( 0.4032258 0.0000000 0.5000000), wk = 0.0030120 k( 170) = ( 0.4193548 0.0000000 0.5000000), wk = 0.0030120 k( 171) = ( 0.4354839 0.0000000 0.5000000), wk = 0.0030120 k( 172) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0030120 k( 173) = ( 0.4677419 0.0000000 0.5000000), wk = 0.0030120 k( 174) = ( 0.4838710 0.0000000 0.5000000), wk = 0.0030120 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 177) = ( 0.5000000 0.0185185 0.5000000), wk = 0.0030120 k( 178) = ( 0.5000000 0.0370370 0.5000000), wk = 0.0030120 k( 179) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0030120 k( 180) = ( 0.5000000 0.0740741 0.5000000), wk = 0.0030120 k( 181) = ( 0.5000000 0.0925926 0.5000000), wk = 0.0030120 k( 182) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0030120 k( 183) = ( 0.5000000 0.1296296 0.5000000), wk = 0.0030120 k( 184) = ( 0.5000000 0.1481482 0.5000000), wk = 0.0030120 k( 185) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0030120 k( 186) = ( 0.5000000 0.1851852 0.5000000), wk = 0.0030120 k( 187) = ( 0.5000000 0.2037037 0.5000000), wk = 0.0030120 k( 188) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0030120 k( 189) = ( 0.5000000 0.2407407 0.5000000), wk = 0.0030120 k( 190) = ( 0.5000000 0.2592593 0.5000000), wk = 0.0030120 k( 191) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0030120 k( 192) = ( 0.5000000 0.2962963 0.5000000), wk = 0.0030120 k( 193) = ( 0.5000000 0.3148148 0.5000000), wk = 0.0030120 k( 194) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.3518519 0.5000000), wk = 0.0030120 k( 196) = ( 0.5000000 0.3703704 0.5000000), wk = 0.0030120 k( 197) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0030120 k( 198) = ( 0.5000000 0.4074074 0.5000000), wk = 0.0030120 k( 199) = ( 0.5000000 0.4259259 0.5000000), wk = 0.0030120 k( 200) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0030120 k( 201) = ( 0.5000000 0.4629630 0.5000000), wk = 0.0030120 k( 202) = ( 0.5000000 0.4814815 0.5000000), wk = 0.0030120 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 205) = ( 0.4838710 0.5000000 0.5000000), wk = 0.0030120 k( 206) = ( 0.4677419 0.5000000 0.5000000), wk = 0.0030120 k( 207) = ( 0.4516129 0.5000000 0.5000000), wk = 0.0030120 k( 208) = ( 0.4354839 0.5000000 0.5000000), wk = 0.0030120 k( 209) = ( 0.4193548 0.5000000 0.5000000), wk = 0.0030120 k( 210) = ( 0.4032258 0.5000000 0.5000000), wk = 0.0030120 k( 211) = ( 0.3870968 0.5000000 0.5000000), wk = 0.0030120 k( 212) = ( 0.3709677 0.5000000 0.5000000), wk = 0.0030120 k( 213) = ( 0.3548387 0.5000000 0.5000000), wk = 0.0030120 k( 214) = ( 0.3387097 0.5000000 0.5000000), wk = 0.0030120 k( 215) = ( 0.3225807 0.5000000 0.5000000), wk = 0.0030120 k( 216) = ( 0.3064516 0.5000000 0.5000000), wk = 0.0030120 k( 217) = ( 0.2903226 0.5000000 0.5000000), wk = 0.0030120 k( 218) = ( 0.2741936 0.5000000 0.5000000), wk = 0.0030120 k( 219) = ( 0.2580645 0.5000000 0.5000000), wk = 0.0030120 k( 220) = ( 0.2419355 0.5000000 0.5000000), wk = 0.0030120 k( 221) = ( 0.2258064 0.5000000 0.5000000), wk = 0.0030120 k( 222) = ( 0.2096774 0.5000000 0.5000000), wk = 0.0030120 k( 223) = ( 0.1935484 0.5000000 0.5000000), wk = 0.0030120 k( 224) = ( 0.1774194 0.5000000 0.5000000), wk = 0.0030120 k( 225) = ( 0.1612903 0.5000000 0.5000000), wk = 0.0030120 k( 226) = ( 0.1451613 0.5000000 0.5000000), wk = 0.0030120 k( 227) = ( 0.1290323 0.5000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.1129032 0.5000000 0.5000000), wk = 0.0030120 k( 229) = ( 0.0967742 0.5000000 0.5000000), wk = 0.0030120 k( 230) = ( 0.0806452 0.5000000 0.5000000), wk = 0.0030120 k( 231) = ( 0.0645161 0.5000000 0.5000000), wk = 0.0030120 k( 232) = ( 0.0483871 0.5000000 0.5000000), wk = 0.0030120 k( 233) = ( 0.0322581 0.5000000 0.5000000), wk = 0.0030120 k( 234) = ( 0.0161290 0.5000000 0.5000000), wk = 0.0030120 k( 235) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 236) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 237) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0030120 k( 238) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0030120 k( 239) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0030120 k( 240) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0030120 k( 241) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0030120 k( 242) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0030120 k( 243) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0030120 k( 244) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0030120 k( 245) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0030120 k( 246) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0030120 k( 247) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0030120 k( 248) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0030120 k( 249) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0030120 k( 250) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0030120 k( 251) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0030120 k( 252) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0030120 k( 253) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0030120 k( 254) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0030120 k( 255) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0030120 k( 256) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0030120 k( 257) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0030120 k( 258) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0030120 k( 259) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0030120 k( 260) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0030120 k( 261) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0030120 k( 262) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0030120 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 264) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 265) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0030120 k( 266) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0030120 k( 267) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0030120 k( 268) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0030120 k( 269) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0030120 k( 270) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0030120 k( 271) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0030120 k( 272) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0030120 k( 273) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0030120 k( 274) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0030120 k( 275) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030120 k( 276) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0030120 k( 277) = ( 0.0000000 0.5000000 0.2954546), wk = 0.0030120 k( 278) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0030120 k( 279) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0030120 k( 280) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0030120 k( 281) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0030120 k( 282) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0030120 k( 283) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0030120 k( 284) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0030120 k( 285) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0030120 k( 286) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 288) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0030120 k( 289) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0030120 k( 290) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0030120 k( 291) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0030120 k( 292) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0030120 k( 293) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0030120 k( 294) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0030120 k( 295) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0030120 k( 296) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0030120 k( 297) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0030120 k( 298) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030120 k( 299) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0030120 k( 300) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0030120 k( 301) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0030120 k( 302) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0030120 k( 303) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0030120 k( 304) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0030120 k( 305) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0030120 k( 306) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0030120 k( 307) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0030120 k( 308) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0030120 k( 309) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.2045455), wk = 0.0030120 k( 320) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0030120 k( 321) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030120 k( 322) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0030120 k( 323) = ( 0.5000000 0.5000000 0.2954546), wk = 0.0030120 k( 324) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0030120 k( 325) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0030120 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0030120 k( 327) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0030120 k( 328) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0030120 k( 329) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0030120 k( 330) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0030120 k( 331) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 Dense grid: 216159 G-vectors FFT dimensions: ( 64, 75, 90) Smooth grid: 53953 G-vectors FFT dimensions: ( 40, 48, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 204, 62) NL pseudopotentials 0.32 Mb ( 102, 204) Each V/rho on FFT grid 0.15 Mb ( 9600) Each G-vector array 0.02 Mb ( 3003) G-vector shells 0.01 Mb ( 1527) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 204, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./RbTeAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 13.9 secs Computing kpt #: 11 total cpu time spent up to now is 14.9 secs Computing kpt #: 12 total cpu time spent up to now is 15.9 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.3 secs Computing kpt #: 15 total cpu time spent up to now is 19.5 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 22.3 secs Computing kpt #: 18 total cpu time spent up to now is 23.7 secs Computing kpt #: 19 total cpu time spent up to now is 25.1 secs Computing kpt #: 20 total cpu time spent up to now is 26.5 secs Computing kpt #: 21 total cpu time spent up to now is 27.7 secs Computing kpt #: 22 total cpu time spent up to now is 28.9 secs Computing kpt #: 23 total cpu time spent up to now is 30.1 secs Computing kpt #: 24 total cpu time spent up to now is 31.2 secs Computing kpt #: 25 total cpu time spent up to now is 32.3 secs Computing kpt #: 26 total cpu time spent up to now is 33.5 secs Computing kpt #: 27 total cpu time spent up to now is 34.6 secs Computing kpt #: 28 total cpu time spent up to now is 35.7 secs Computing kpt #: 29 total cpu time spent up to now is 36.7 secs Computing kpt #: 30 total cpu time spent up to now is 37.8 secs Computing kpt #: 31 total cpu time spent up to now is 38.8 secs Computing kpt #: 32 total cpu time spent up to now is 39.8 secs Computing kpt #: 33 total cpu time spent up to now is 40.9 secs Computing kpt #: 34 total cpu time spent up to now is 41.9 secs Computing kpt #: 35 total cpu time spent up to now is 43.0 secs Computing kpt #: 36 total cpu time spent up to now is 44.1 secs Computing kpt #: 37 total cpu time spent up to now is 45.3 secs Computing kpt #: 38 total cpu time spent up to now is 46.4 secs Computing kpt #: 39 total cpu time spent up to now is 47.5 secs Computing kpt #: 40 total cpu time spent up to now is 48.6 secs Computing kpt #: 41 total cpu time spent up to now is 49.7 secs Computing kpt #: 42 total cpu time spent up to now is 50.9 secs Computing kpt #: 43 total cpu time spent up to now is 52.1 secs Computing kpt #: 44 total cpu time spent up to now is 53.3 secs Computing kpt #: 45 total cpu time spent up to now is 54.6 secs Computing kpt #: 46 total cpu time spent up to now is 55.7 secs Computing kpt #: 47 total cpu time spent up to now is 56.9 secs Computing kpt #: 48 total cpu time spent up to now is 58.0 secs Computing kpt #: 49 total cpu time spent up to now is 59.4 secs Computing kpt #: 50 total cpu time spent up to now is 60.6 secs Computing kpt #: 51 total cpu time spent up to now is 62.0 secs Computing kpt #: 52 total cpu time spent up to now is 63.3 secs Computing kpt #: 53 total cpu time spent up to now is 64.5 secs Computing kpt #: 54 total cpu time spent up to now is 65.8 secs Computing kpt #: 55 total cpu time spent up to now is 67.0 secs Computing kpt #: 56 total cpu time spent up to now is 68.3 secs Computing kpt #: 57 total cpu time spent up to now is 69.5 secs Computing kpt #: 58 total cpu time spent up to now is 70.8 secs Computing kpt #: 59 total cpu time spent up to now is 72.1 secs Computing kpt #: 60 total cpu time spent up to now is 73.4 secs Computing kpt #: 61 total cpu time spent up to now is 74.6 secs Computing kpt #: 62 total cpu time spent up to now is 75.9 secs Computing kpt #: 63 total cpu time spent up to now is 77.2 secs Computing kpt #: 64 total cpu time spent up to now is 78.4 secs Computing kpt #: 65 total cpu time spent up to now is 79.7 secs Computing kpt #: 66 total cpu time spent up to now is 80.9 secs Computing kpt #: 67 total cpu time spent up to now is 82.2 secs Computing kpt #: 68 total cpu time spent up to now is 83.4 secs Computing kpt #: 69 total cpu time spent up to now is 84.8 secs Computing kpt #: 70 total cpu time spent up to now is 86.0 secs Computing kpt #: 71 total cpu time spent up to now is 87.4 secs Computing kpt #: 72 total cpu time spent up to now is 88.8 secs Computing kpt #: 73 total cpu time spent up to now is 90.1 secs Computing kpt #: 74 total cpu time spent up to now is 91.5 secs Computing kpt #: 75 total cpu time spent up to now is 92.9 secs Computing kpt #: 76 total cpu time spent up to now is 94.4 secs Computing kpt #: 77 total cpu time spent up to now is 95.9 secs Computing kpt #: 78 total cpu time spent up to now is 98.4 secs Computing kpt #: 79 total cpu time spent up to now is 101.3 secs Computing kpt #: 80 total cpu time spent up to now is 102.8 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.8 secs Computing kpt #: 82 total cpu time spent up to now is 108.7 secs Computing kpt #: 83 total cpu time spent up to now is 112.6 secs Computing kpt #: 84 total cpu time spent up to now is 114.0 secs Computing kpt #: 85 total cpu time spent up to now is 115.3 secs Computing kpt #: 86 total cpu time spent up to now is 116.8 secs Computing kpt #: 87 total cpu time spent up to now is 117.9 secs Computing kpt #: 88 total cpu time spent up to now is 119.1 secs Computing kpt #: 89 total cpu time spent up to now is 120.3 secs Computing kpt #: 90 total cpu time spent up to now is 121.5 secs Computing kpt #: 91 total cpu time spent up to now is 122.9 secs Computing kpt #: 92 total cpu time spent up to now is 124.1 secs Computing kpt #: 93 total cpu time spent up to now is 125.4 secs Computing kpt #: 94 total cpu time spent up to now is 126.7 secs Computing kpt #: 95 total cpu time spent up to now is 128.1 secs Computing kpt #: 96 total cpu time spent up to now is 129.4 secs Computing kpt #: 97 total cpu time spent up to now is 130.9 secs Computing kpt #: 98 total cpu time spent up to now is 132.3 secs Computing kpt #: 99 total cpu time spent up to now is 133.7 secs Computing kpt #: 100 total cpu time spent up to now is 135.0 secs Computing kpt #: 101 total cpu time spent up to now is 136.3 secs Computing kpt #: 102 total cpu time spent up to now is 137.5 secs Computing kpt #: 103 total cpu time spent up to now is 138.7 secs Computing kpt #: 104 total cpu time spent up to now is 139.7 secs Computing kpt #: 105 total cpu time spent up to now is 140.8 secs Computing kpt #: 106 total cpu time spent up to now is 141.7 secs Computing kpt #: 107 total cpu time spent up to now is 142.7 secs Computing kpt #: 108 total cpu time spent up to now is 143.8 secs Computing kpt #: 109 total cpu time spent up to now is 144.8 secs Computing kpt #: 110 total cpu time spent up to now is 145.8 secs Computing kpt #: 111 total cpu time spent up to now is 146.8 secs Computing kpt #: 112 total cpu time spent up to now is 147.8 secs Computing kpt #: 113 total cpu time spent up to now is 148.8 secs Computing kpt #: 114 total cpu time spent up to now is 149.8 secs Computing kpt #: 115 total cpu time spent up to now is 150.8 secs Computing kpt #: 116 total cpu time spent up to now is 151.9 secs Computing kpt #: 117 total cpu time spent up to now is 152.9 secs Computing kpt #: 118 total cpu time spent up to now is 153.9 secs Computing kpt #: 119 total cpu time spent up to now is 155.0 secs Computing kpt #: 120 total cpu time spent up to now is 155.9 secs Computing kpt #: 121 total cpu time spent up to now is 157.0 secs Computing kpt #: 122 total cpu time spent up to now is 158.0 secs Computing kpt #: 123 total cpu time spent up to now is 159.0 secs Computing kpt #: 124 total cpu time spent up to now is 160.0 secs Computing kpt #: 125 total cpu time spent up to now is 161.1 secs Computing kpt #: 126 total cpu time spent up to now is 162.2 secs Computing kpt #: 127 total cpu time spent up to now is 163.2 secs Computing kpt #: 128 total cpu time spent up to now is 164.2 secs Computing kpt #: 129 total cpu time spent up to now is 165.2 secs Computing kpt #: 130 total cpu time spent up to now is 166.2 secs Computing kpt #: 131 total cpu time spent up to now is 167.2 secs Computing kpt #: 132 total cpu time spent up to now is 168.2 secs Computing kpt #: 133 total cpu time spent up to now is 169.4 secs Computing kpt #: 134 total cpu time spent up to now is 170.6 secs Computing kpt #: 135 total cpu time spent up to now is 171.8 secs Computing kpt #: 136 total cpu time spent up to now is 173.1 secs Computing kpt #: 137 total cpu time spent up to now is 174.4 secs Computing kpt #: 138 total cpu time spent up to now is 176.1 secs Computing kpt #: 139 total cpu time spent up to now is 177.3 secs Computing kpt #: 140 total cpu time spent up to now is 178.5 secs Computing kpt #: 141 total cpu time spent up to now is 180.1 secs Computing kpt #: 142 total cpu time spent up to now is 181.4 secs Computing kpt #: 143 total cpu time spent up to now is 182.6 secs Computing kpt #: 144 total cpu time spent up to now is 184.0 secs Computing kpt #: 145 total cpu time spent up to now is 185.4 secs Computing kpt #: 146 total cpu time spent up to now is 186.7 secs Computing kpt #: 147 total cpu time spent up to now is 188.0 secs Computing kpt #: 148 total cpu time spent up to now is 189.3 secs Computing kpt #: 149 total cpu time spent up to now is 190.6 secs Computing kpt #: 150 total cpu time spent up to now is 191.8 secs Computing kpt #: 151 total cpu time spent up to now is 193.1 secs Computing kpt #: 152 total cpu time spent up to now is 194.2 secs Computing kpt #: 153 total cpu time spent up to now is 195.5 secs Computing kpt #: 154 total cpu time spent up to now is 196.7 secs Computing kpt #: 155 total cpu time spent up to now is 198.0 secs Computing kpt #: 156 total cpu time spent up to now is 199.2 secs Computing kpt #: 157 total cpu time spent up to now is 200.6 secs Computing kpt #: 158 total cpu time spent up to now is 201.8 secs Computing kpt #: 159 total cpu time spent up to now is 203.2 secs Computing kpt #: 160 total cpu time spent up to now is 204.9 secs Computing kpt #: 161 total cpu time spent up to now is 206.4 secs Computing kpt #: 162 total cpu time spent up to now is 207.9 secs Computing kpt #: 163 total cpu time spent up to now is 209.3 secs Computing kpt #: 164 total cpu time spent up to now is 210.7 secs Computing kpt #: 165 total cpu time spent up to now is 211.9 secs Computing kpt #: 166 total cpu time spent up to now is 213.5 secs Computing kpt #: 167 total cpu time spent up to now is 214.8 secs Computing kpt #: 168 total cpu time spent up to now is 216.0 secs Computing kpt #: 169 total cpu time spent up to now is 217.1 secs Computing kpt #: 170 total cpu time spent up to now is 218.2 secs Computing kpt #: 171 total cpu time spent up to now is 219.4 secs Computing kpt #: 172 total cpu time spent up to now is 220.6 secs Computing kpt #: 173 total cpu time spent up to now is 221.7 secs Computing kpt #: 174 total cpu time spent up to now is 222.8 secs Computing kpt #: 175 total cpu time spent up to now is 223.7 secs Computing kpt #: 176 total cpu time spent up to now is 224.9 secs Computing kpt #: 177 total cpu time spent up to now is 226.0 secs Computing kpt #: 178 total cpu time spent up to now is 227.1 secs Computing kpt #: 179 total cpu time spent up to now is 228.2 secs Computing kpt #: 180 total cpu time spent up to now is 229.2 secs Computing kpt #: 181 total cpu time spent up to now is 230.2 secs Computing kpt #: 182 total cpu time spent up to now is 231.2 secs Computing kpt #: 183 total cpu time spent up to now is 232.1 secs Computing kpt #: 184 total cpu time spent up to now is 233.0 secs Computing kpt #: 185 total cpu time spent up to now is 234.0 secs Computing kpt #: 186 total cpu time spent up to now is 235.0 secs Computing kpt #: 187 total cpu time spent up to now is 236.0 secs Computing kpt #: 188 total cpu time spent up to now is 237.0 secs Computing kpt #: 189 total cpu time spent up to now is 238.0 secs Computing kpt #: 190 total cpu time spent up to now is 238.9 secs Computing kpt #: 191 total cpu time spent up to now is 239.8 secs Computing kpt #: 192 total cpu time spent up to now is 240.8 secs Computing kpt #: 193 total cpu time spent up to now is 241.8 secs Computing kpt #: 194 total cpu time spent up to now is 242.9 secs Computing kpt #: 195 total cpu time spent up to now is 244.1 secs Computing kpt #: 196 total cpu time spent up to now is 245.2 secs Computing kpt #: 197 total cpu time spent up to now is 246.3 secs Computing kpt #: 198 total cpu time spent up to now is 247.5 secs Computing kpt #: 199 total cpu time spent up to now is 248.9 secs Computing kpt #: 200 total cpu time spent up to now is 250.3 secs Computing kpt #: 201 total cpu time spent up to now is 251.9 secs Computing kpt #: 202 total cpu time spent up to now is 253.7 secs Computing kpt #: 203 total cpu time spent up to now is 255.5 secs Computing kpt #: 204 total cpu time spent up to now is 257.4 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.4 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.5 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.6 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.5 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.3 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.3 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.6 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.6 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.6 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.7 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.6 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.7 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.1 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.3 secs Computing kpt #: 224 total cpu time spent up to now is 319.0 secs Computing kpt #: 225 total cpu time spent up to now is 320.6 secs Computing kpt #: 226 total cpu time spent up to now is 325.7 secs Computing kpt #: 227 total cpu time spent up to now is 328.0 secs Computing kpt #: 228 total cpu time spent up to now is 330.8 secs Computing kpt #: 229 total cpu time spent up to now is 333.6 secs Computing kpt #: 230 total cpu time spent up to now is 335.2 secs Computing kpt #: 231 total cpu time spent up to now is 337.2 secs Computing kpt #: 232 total cpu time spent up to now is 339.0 secs Computing kpt #: 233 total cpu time spent up to now is 340.8 secs Computing kpt #: 234 total cpu time spent up to now is 342.6 secs Computing kpt #: 235 total cpu time spent up to now is 344.3 secs Computing kpt #: 236 total cpu time spent up to now is 345.8 secs Computing kpt #: 237 total cpu time spent up to now is 347.5 secs Computing kpt #: 238 total cpu time spent up to now is 349.2 secs Computing kpt #: 239 total cpu time spent up to now is 351.9 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.3 secs Computing kpt #: 241 total cpu time spent up to now is 357.4 secs Computing kpt #: 242 total cpu time spent up to now is 359.1 secs Computing kpt #: 243 total cpu time spent up to now is 360.7 secs Computing kpt #: 244 total cpu time spent up to now is 362.1 secs Computing kpt #: 245 total cpu time spent up to now is 363.4 secs Computing kpt #: 246 total cpu time spent up to now is 366.9 secs Computing kpt #: 247 total cpu time spent up to now is 368.1 secs Computing kpt #: 248 total cpu time spent up to now is 369.5 secs Computing kpt #: 249 total cpu time spent up to now is 371.2 secs Computing kpt #: 250 total cpu time spent up to now is 372.8 secs Computing kpt #: 251 total cpu time spent up to now is 374.9 secs Computing kpt #: 252 total cpu time spent up to now is 376.9 secs Computing kpt #: 253 total cpu time spent up to now is 378.3 secs Computing kpt #: 254 total cpu time spent up to now is 380.5 secs Computing kpt #: 255 total cpu time spent up to now is 382.9 secs Computing kpt #: 256 total cpu time spent up to now is 385.3 secs Computing kpt #: 257 total cpu time spent up to now is 388.4 secs Computing kpt #: 258 total cpu time spent up to now is 392.1 secs Computing kpt #: 259 total cpu time spent up to now is 396.7 secs Computing kpt #: 260 total cpu time spent up to now is 400.5 secs Computing kpt #: 261 total cpu time spent up to now is 402.0 secs Computing kpt #: 262 total cpu time spent up to now is 403.2 secs Computing kpt #: 263 total cpu time spent up to now is 404.4 secs Computing kpt #: 264 total cpu time spent up to now is 405.6 secs Computing kpt #: 265 total cpu time spent up to now is 407.0 secs Computing kpt #: 266 total cpu time spent up to now is 408.3 secs Computing kpt #: 267 total cpu time spent up to now is 409.7 secs Computing kpt #: 268 total cpu time spent up to now is 411.2 secs Computing kpt #: 269 total cpu time spent up to now is 412.6 secs Computing kpt #: 270 total cpu time spent up to now is 413.9 secs Computing kpt #: 271 total cpu time spent up to now is 415.3 secs Computing kpt #: 272 total cpu time spent up to now is 416.6 secs Computing kpt #: 273 total cpu time spent up to now is 417.9 secs Computing kpt #: 274 total cpu time spent up to now is 419.2 secs Computing kpt #: 275 total cpu time spent up to now is 420.4 secs Computing kpt #: 276 total cpu time spent up to now is 422.0 secs Computing kpt #: 277 total cpu time spent up to now is 423.3 secs Computing kpt #: 278 total cpu time spent up to now is 424.6 secs Computing kpt #: 279 total cpu time spent up to now is 425.9 secs Computing kpt #: 280 total cpu time spent up to now is 427.7 secs Computing kpt #: 281 total cpu time spent up to now is 429.5 secs Computing kpt #: 282 total cpu time spent up to now is 431.1 secs Computing kpt #: 283 total cpu time spent up to now is 433.6 secs Computing kpt #: 284 total cpu time spent up to now is 435.4 secs Computing kpt #: 285 total cpu time spent up to now is 437.1 secs Computing kpt #: 286 total cpu time spent up to now is 442.9 secs Computing kpt #: 287 total cpu time spent up to now is 444.0 secs Computing kpt #: 288 total cpu time spent up to now is 445.5 secs Computing kpt #: 289 total cpu time spent up to now is 446.7 secs Computing kpt #: 290 total cpu time spent up to now is 447.6 secs Computing kpt #: 291 total cpu time spent up to now is 448.8 secs Computing kpt #: 292 total cpu time spent up to now is 450.0 secs Computing kpt #: 293 total cpu time spent up to now is 451.2 secs Computing kpt #: 294 total cpu time spent up to now is 452.5 secs Computing kpt #: 295 total cpu time spent up to now is 453.7 secs Computing kpt #: 296 total cpu time spent up to now is 454.8 secs Computing kpt #: 297 total cpu time spent up to now is 455.9 secs Computing kpt #: 298 total cpu time spent up to now is 457.1 secs Computing kpt #: 299 total cpu time spent up to now is 458.2 secs Computing kpt #: 300 total cpu time spent up to now is 459.4 secs Computing kpt #: 301 total cpu time spent up to now is 460.5 secs Computing kpt #: 302 total cpu time spent up to now is 461.7 secs Computing kpt #: 303 total cpu time spent up to now is 462.9 secs Computing kpt #: 304 total cpu time spent up to now is 464.0 secs Computing kpt #: 305 total cpu time spent up to now is 465.2 secs Computing kpt #: 306 total cpu time spent up to now is 466.3 secs Computing kpt #: 307 total cpu time spent up to now is 468.0 secs Computing kpt #: 308 total cpu time spent up to now is 469.2 secs Computing kpt #: 309 total cpu time spent up to now is 470.3 secs Computing kpt #: 310 total cpu time spent up to now is 471.9 secs Computing kpt #: 311 total cpu time spent up to now is 473.1 secs Computing kpt #: 312 total cpu time spent up to now is 474.5 secs Computing kpt #: 313 total cpu time spent up to now is 476.4 secs Computing kpt #: 314 total cpu time spent up to now is 477.7 secs Computing kpt #: 315 total cpu time spent up to now is 478.9 secs Computing kpt #: 316 total cpu time spent up to now is 481.3 secs Computing kpt #: 317 total cpu time spent up to now is 482.7 secs Computing kpt #: 318 total cpu time spent up to now is 484.2 secs Computing kpt #: 319 total cpu time spent up to now is 485.6 secs Computing kpt #: 320 total cpu time spent up to now is 487.4 secs Computing kpt #: 321 total cpu time spent up to now is 488.7 secs Computing kpt #: 322 total cpu time spent up to now is 490.4 secs Computing kpt #: 323 total cpu time spent up to now is 491.9 secs Computing kpt #: 324 total cpu time spent up to now is 493.5 secs Computing kpt #: 325 total cpu time spent up to now is 495.3 secs Computing kpt #: 326 total cpu time spent up to now is 497.1 secs Computing kpt #: 327 total cpu time spent up to now is 499.8 secs Computing kpt #: 328 total cpu time spent up to now is 502.6 secs Computing kpt #: 329 total cpu time spent up to now is 506.0 secs Computing kpt #: 330 total cpu time spent up to now is 507.6 secs Computing kpt #: 331 total cpu time spent up to now is 509.2 secs Computing kpt #: 332 total cpu time spent up to now is 511.0 secs ethr = 1.92E-08, avg # of iterations = 36.5 total cpu time spent up to now is 511.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6721 PWs) bands (ev): -21.5405 -21.5405 -21.5243 -21.5243 -6.3084 -6.3084 -6.2224 -6.2224 -5.8933 -5.8933 -5.4904 -5.4904 -5.3824 -5.3824 -5.3750 -5.3750 -5.3365 -5.3365 -4.8422 -4.8422 -0.4946 -0.4946 0.1947 0.1947 0.3458 0.3458 0.7798 0.7798 1.0254 1.0254 1.8789 1.8789 1.9813 1.9813 2.2971 2.2971 2.5653 2.5653 2.7314 2.7314 3.1235 3.1235 3.4791 3.4791 3.9772 3.9772 4.2743 4.2743 4.8175 4.8175 5.5481 5.5481 6.3266 6.3266 7.3153 7.3153 7.5096 7.5096 8.4500 8.4500 8.4623 8.4623 k = 0.0161-0.0000-0.0000 ( 6721 PWs) bands (ev): -21.5405 -21.5405 -21.5243 -21.5243 -6.3084 -6.3084 -6.2229 -6.2229 -5.8933 -5.8933 -5.4904 -5.4904 -5.3830 -5.3830 -5.3740 -5.3740 -5.3363 -5.3363 -4.8421 -4.8421 -0.4946 -0.4946 0.1946 0.1946 0.3460 0.3460 0.7797 0.7797 1.0255 1.0255 1.8788 1.8788 1.9814 1.9814 2.2971 2.2971 2.5653 2.5653 2.7316 2.7316 3.1235 3.1235 3.4788 3.4788 3.9765 3.9765 4.2716 4.2716 4.8172 4.8172 5.5452 5.5452 6.3284 6.3284 7.3165 7.3165 7.5108 7.5108 8.4362 8.4362 8.4797 8.4797 k = 0.0323-0.0000-0.0000 ( 6727 PWs) bands (ev): -21.5404 -21.5404 -21.5243 -21.5243 -6.3083 -6.3083 -6.2244 -6.2244 -5.8932 -5.8932 -5.4904 -5.4904 -5.3844 -5.3844 -5.3716 -5.3716 -5.3357 -5.3357 -4.8416 -4.8416 -0.4945 -0.4945 0.1942 0.1942 0.3464 0.3464 0.7793 0.7793 1.0256 1.0256 1.8785 1.8785 1.9817 1.9817 2.2971 2.2971 2.5652 2.5652 2.7322 2.7322 3.1234 3.1234 3.4777 3.4777 3.9744 3.9744 4.2635 4.2635 4.8163 4.8163 5.5367 5.5367 6.3337 6.3337 7.3201 7.3201 7.5145 7.5145 8.4197 8.4197 8.5070 8.5070 k = 0.0484-0.0000-0.0000 ( 6727 PWs) bands (ev): -21.5404 -21.5404 -21.5243 -21.5243 -6.3083 -6.3083 -6.2270 -6.2270 -5.8932 -5.8932 -5.4903 -5.4903 -5.3860 -5.3860 -5.3682 -5.3682 -5.3346 -5.3346 -4.8409 -4.8409 -0.4943 -0.4943 0.1935 0.1935 0.3470 0.3470 0.7787 0.7787 1.0257 1.0257 1.8780 1.8780 1.9823 1.9823 2.2970 2.2970 2.5651 2.5651 2.7331 2.7331 3.1234 3.1234 3.4759 3.4759 3.9708 3.9708 4.2504 4.2504 4.8148 4.8148 5.5228 5.5228 6.3427 6.3427 7.3260 7.3260 7.5206 7.5206 8.4036 8.4036 8.5409 8.5409 k = 0.0645-0.0000-0.0000 ( 6719 PWs) bands (ev): -21.5404 -21.5404 -21.5243 -21.5243 -6.3083 -6.3083 -6.2304 -6.2304 -5.8931 -5.8931 -5.4903 -5.4903 -5.3878 -5.3878 -5.3643 -5.3643 -5.3329 -5.3329 -4.8398 -4.8398 -0.4941 -0.4941 0.1926 0.1926 0.3480 0.3480 0.7778 0.7778 1.0260 1.0260 1.8772 1.8772 1.9831 1.9831 2.2970 2.2970 2.5650 2.5650 2.7345 2.7345 3.1234 3.1234 3.4732 3.4732 3.9656 3.9656 4.2330 4.2330 4.8126 4.8126 5.5039 5.5039 6.3551 6.3551 7.3342 7.3342 7.5291 7.5291 8.3873 8.3873 8.5820 8.5820 k = 0.0806-0.0000-0.0000 ( 6723 PWs) bands (ev): -21.5403 -21.5403 -21.5242 -21.5242 -6.3083 -6.3083 -6.2348 -6.2348 -5.8929 -5.8929 -5.4902 -5.4902 -5.3897 -5.3897 -5.3601 -5.3601 -5.3306 -5.3306 -4.8385 -4.8385 -0.4939 -0.4939 0.1914 0.1914 0.3492 0.3492 0.7767 0.7767 1.0263 1.0263 1.8763 1.8763 1.9841 1.9841 2.2969 2.2969 2.5648 2.5648 2.7361 2.7361 3.1233 3.1233 3.4695 3.4695 3.9586 3.9586 4.2120 4.2120 4.8098 4.8098 5.4805 5.4805 6.3709 6.3709 7.3444 7.3444 7.5396 7.5396 8.3701 8.3701 8.6310 8.6310 k = 0.0968-0.0000-0.0000 ( 6719 PWs) bands (ev): -21.5403 -21.5403 -21.5242 -21.5242 -6.3083 -6.3083 -6.2400 -6.2400 -5.8928 -5.8928 -5.4900 -5.4900 -5.3917 -5.3917 -5.3559 -5.3559 -5.3272 -5.3272 -4.8370 -4.8370 -0.4936 -0.4936 0.1900 0.1900 0.3506 0.3506 0.7754 0.7754 1.0267 1.0267 1.8752 1.8752 1.9854 1.9854 2.2968 2.2968 2.5646 2.5646 2.7382 2.7382 3.1232 3.1232 3.4646 3.4646 3.9495 3.9495 4.1886 4.1886 4.8064 4.8064 5.4532 5.4532 6.3900 6.3900 7.3565 7.3565 7.5522 7.5522 8.3517 8.3517 8.6877 8.6877 k = 0.1129-0.0000-0.0000 ( 6724 PWs) bands (ev): -21.5402 -21.5402 -21.5242 -21.5242 -6.3083 -6.3083 -6.2460 -6.2460 -5.8926 -5.8926 -5.4897 -5.4897 -5.3938 -5.3938 -5.3520 -5.3520 -5.3227 -5.3227 -4.8352 -4.8352 -0.4933 -0.4933 0.1883 0.1883 0.3522 0.3522 0.7739 0.7739 1.0271 1.0271 1.8739 1.8739 1.9869 1.9869 2.2967 2.2967 2.5643 2.5643 2.7406 2.7406 3.1230 3.1230 3.4583 3.4583 3.9381 3.9381 4.1638 4.1638 4.8022 4.8022 5.4227 5.4227 6.4122 6.4122 7.3704 7.3704 7.5666 7.5666 8.3322 8.3322 8.7522 8.7522 k = 0.1290-0.0000-0.0000 ( 6724 PWs) bands (ev): -21.5402 -21.5402 -21.5241 -21.5241 -6.3084 -6.3084 -6.2525 -6.2525 -5.8924 -5.8924 -5.4892 -5.4892 -5.3961 -5.3961 -5.3486 -5.3486 -5.3169 -5.3169 -4.8331 -4.8331 -0.4929 -0.4929 0.1865 0.1865 0.3540 0.3540 0.7723 0.7723 1.0276 1.0276 1.8725 1.8725 1.9888 1.9888 2.2966 2.2966 2.5640 2.5640 2.7433 2.7433 3.1228 3.1228 3.4503 3.4503 3.9241 3.9241 4.1391 4.1391 4.7975 4.7975 5.3896 5.3896 6.4374 6.4374 7.3861 7.3861 7.5827 7.5827 8.3115 8.3115 8.8239 8.8239 k = 0.1452-0.0000-0.0000 ( 6726 PWs) bands (ev): -21.5401 -21.5401 -21.5241 -21.5241 -6.3085 -6.3085 -6.2596 -6.2596 -5.8921 -5.8921 -5.4887 -5.4887 -5.3985 -5.3985 -5.3458 -5.3458 -5.3098 -5.3098 -4.8309 -4.8309 -0.4926 -0.4926 0.1844 0.1844 0.3560 0.3560 0.7705 0.7705 1.0281 1.0281 1.8709 1.8709 1.9909 1.9909 2.2966 2.2966 2.5636 2.5636 2.7463 2.7463 3.1225 3.1225 3.4403 3.4403 3.9074 3.9074 4.1154 4.1154 4.7920 4.7920 5.3546 5.3546 6.4654 6.4654 7.4034 7.4034 7.6001 7.6001 8.2899 8.2899 8.9024 8.9024 k = 0.1613-0.0000-0.0000 ( 6734 PWs) bands (ev): -21.5400 -21.5400 -21.5240 -21.5240 -6.3087 -6.3087 -6.2670 -6.2670 -5.8918 -5.8918 -5.4880 -5.4880 -5.4009 -5.4009 -5.3434 -5.3434 -5.3018 -5.3018 -4.8285 -4.8285 -0.4922 -0.4922 0.1822 0.1822 0.3581 0.3581 0.7685 0.7685 1.0287 1.0287 1.8692 1.8692 1.9934 1.9934 2.2966 2.2966 2.5632 2.5632 2.7496 2.7496 3.1220 3.1220 3.4279 3.4279 3.8881 3.8881 4.0938 4.0938 4.7859 4.7859 5.3183 5.3183 6.4960 6.4960 7.4223 7.4223 7.6188 7.6188 8.2676 8.2676 8.9868 8.9868 k = 0.1774-0.0000-0.0000 ( 6742 PWs) bands (ev): -21.5400 -21.5400 -21.5240 -21.5240 -6.3091 -6.3091 -6.2746 -6.2746 -5.8915 -5.8915 -5.4873 -5.4873 -5.4035 -5.4035 -5.3414 -5.3414 -5.2930 -5.2930 -4.8260 -4.8260 -0.4918 -0.4918 0.1798 0.1798 0.3604 0.3604 0.7665 0.7665 1.0294 1.0294 1.8673 1.8673 1.9962 1.9962 2.2966 2.2966 2.5628 2.5628 2.7531 2.7531 3.1214 3.1214 3.4128 3.4128 3.8669 3.8669 4.0747 4.0747 4.7791 4.7791 5.2815 5.2815 6.5289 6.5289 7.4426 7.4426 7.6384 7.6384 8.2451 8.2451 9.0764 9.0764 k = 0.1935-0.0000-0.0000 ( 6734 PWs) bands (ev): -21.5399 -21.5399 -21.5239 -21.5239 -6.3098 -6.3098 -6.2822 -6.2822 -5.8912 -5.8912 -5.4864 -5.4864 -5.4060 -5.4060 -5.3397 -5.3397 -5.2837 -5.2837 -4.8233 -4.8233 -0.4914 -0.4914 0.1773 0.1773 0.3628 0.3628 0.7644 0.7644 1.0301 1.0301 1.8653 1.8653 1.9993 1.9993 2.2967 2.2967 2.5623 2.5623 2.7569 2.7569 3.1205 3.1205 3.3948 3.3948 3.8447 3.8447 4.0582 4.0582 4.7716 4.7716 5.2446 5.2446 6.5640 6.5640 7.4645 7.4645 7.6587 7.6587 8.2227 8.2227 9.1704 9.1704 k = 0.2097-0.0000-0.0000 ( 6720 PWs) bands (ev): -21.5398 -21.5398 -21.5239 -21.5239 -6.3112 -6.3112 -6.2893 -6.2893 -5.8908 -5.8908 -5.4854 -5.4854 -5.4086 -5.4086 -5.3381 -5.3381 -5.2741 -5.2741 -4.8205 -4.8205 -0.4909 -0.4909 0.1747 0.1747 0.3652 0.3652 0.7623 0.7623 1.0308 1.0308 1.8633 1.8633 2.0028 2.0028 2.2968 2.2968 2.5618 2.5618 2.7608 2.7608 3.1191 3.1191 3.3737 3.3737 3.8225 3.8225 4.0439 4.0439 4.7633 4.7633 5.2083 5.2083 6.6008 6.6008 7.4877 7.4877 7.6794 7.6794 8.2010 8.2010 9.2676 9.2676 k = 0.2258-0.0000-0.0000 ( 6724 PWs) bands (ev): -21.5397 -21.5397 -21.5238 -21.5238 -6.3139 -6.3139 -6.2951 -6.2951 -5.8904 -5.8904 -5.4843 -5.4843 -5.4112 -5.4112 -5.3367 -5.3367 -5.2643 -5.2643 -4.8177 -4.8177 -0.4905 -0.4905 0.1720 0.1720 0.3676 0.3676 0.7602 0.7602 1.0315 1.0315 1.8612 1.8612 2.0066 2.0066 2.2970 2.2970 2.5614 2.5614 2.7648 2.7648 3.1171 3.1171 3.3497 3.3497 3.8015 3.8015 4.0315 4.0315 4.7544 4.7544 5.1729 5.1729 6.6392 6.6392 7.5122 7.5122 7.7002 7.7002 8.1804 8.1804 9.3670 9.3670 k = 0.2419-0.0000-0.0000 ( 6732 PWs) bands (ev): -21.5396 -21.5396 -21.5238 -21.5238 -6.3184 -6.3184 -6.2991 -6.2991 -5.8900 -5.8900 -5.4832 -5.4832 -5.4138 -5.4138 -5.3353 -5.3353 -5.2544 -5.2544 -4.8149 -4.8149 -0.4901 -0.4901 0.1693 0.1693 0.3701 0.3701 0.7581 0.7581 1.0322 1.0322 1.8591 1.8591 2.0108 2.0108 2.2973 2.2973 2.5609 2.5609 2.7690 2.7690 3.1142 3.1142 3.3233 3.3233 3.7821 3.7821 4.0206 4.0206 4.7447 4.7447 5.1391 5.1391 6.6787 6.6787 7.5379 7.5379 7.7207 7.7207 8.1616 8.1616 9.4674 9.4674 k = 0.2581-0.0000-0.0000 ( 6738 PWs) bands (ev): -21.5395 -21.5395 -21.5237 -21.5237 -6.3247 -6.3247 -6.3013 -6.3013 -5.8896 -5.8896 -5.4821 -5.4821 -5.4163 -5.4163 -5.3340 -5.3340 -5.2446 -5.2446 -4.8121 -4.8121 -0.4898 -0.4898 0.1665 0.1665 0.3725 0.3725 0.7560 0.7560 1.0330 1.0330 1.8569 1.8569 2.0154 2.0154 2.2976 2.2976 2.5604 2.5604 2.7732 2.7732 3.1098 3.1098 3.2955 3.2955 3.7650 3.7650 4.0111 4.0111 4.7344 4.7344 5.1070 5.1070 6.7189 6.7189 7.5646 7.5646 7.7404 7.7404 8.1452 8.1452 9.5648 9.5648 k = 0.2742-0.0000-0.0000 ( 6738 PWs) bands (ev): -21.5394 -21.5394 -21.5236 -21.5236 -6.3319 -6.3319 -6.3024 -6.3024 -5.8892 -5.8892 -5.4809 -5.4809 -5.4187 -5.4187 -5.3328 -5.3328 -5.2350 -5.2350 -4.8093 -4.8093 -0.4894 -0.4894 0.1637 0.1637 0.3748 0.3748 0.7541 0.7541 1.0338 1.0338 1.8548 1.8548 2.0203 2.0203 2.2980 2.2980 2.5600 2.5600 2.7774 2.7774 3.1031 3.1031 3.2676 3.2676 3.7502 3.7502 4.0025 4.0025 4.7233 4.7233 5.0771 5.0771 6.7596 6.7596 7.5920 7.5920 7.7590 7.7590 8.1319 8.1319 9.5828 9.5828 k = 0.2903-0.0000-0.0000 ( 6744 PWs) bands (ev): -21.5394 -21.5394 -21.5236 -21.5236 -6.3393 -6.3393 -6.3030 -6.3030 -5.8889 -5.8889 -5.4798 -5.4798 -5.4211 -5.4211 -5.3317 -5.3317 -5.2256 -5.2256 -4.8065 -4.8065 -0.4891 -0.4891 0.1610 0.1610 0.3771 0.3771 0.7522 0.7522 1.0345 1.0345 1.8527 1.8527 2.0255 2.0255 2.2984 2.2984 2.5597 2.5597 2.7816 2.7816 3.0930 3.0930 3.2414 3.2414 3.7375 3.7375 3.9947 3.9947 4.7116 4.7116 5.0496 5.0496 6.8003 6.8003 7.6196 7.6196 7.7761 7.7761 8.1225 8.1225 9.5631 9.5631 k = 0.3065-0.0000-0.0000 ( 6740 PWs) bands (ev): -21.5393 -21.5393 -21.5235 -21.5235 -6.3466 -6.3466 -6.3034 -6.3034 -5.8885 -5.8885 -5.4786 -5.4786 -5.4233 -5.4233 -5.3306 -5.3306 -5.2166 -5.2166 -4.8038 -4.8038 -0.4888 -0.4888 0.1584 0.1584 0.3793 0.3793 0.7505 0.7505 1.0353 1.0353 1.8507 1.8507 2.0310 2.0310 2.2990 2.2990 2.5594 2.5594 2.7857 2.7857 3.0782 3.0782 3.2191 3.2191 3.7269 3.7269 3.9877 3.9877 4.6994 4.6994 5.0246 5.0246 6.8404 6.8404 7.6467 7.6467 7.7916 7.7916 8.1174 8.1174 9.5363 9.5363 k = 0.3226-0.0000-0.0000 ( 6736 PWs) bands (ev): -21.5392 -21.5392 -21.5235 -21.5235 -6.3538 -6.3538 -6.3036 -6.3036 -5.8881 -5.8881 -5.4776 -5.4776 -5.4253 -5.4253 -5.3297 -5.3297 -5.2080 -5.2080 -4.8013 -4.8013 -0.4885 -0.4885 0.1558 0.1558 0.3813 0.3813 0.7489 0.7489 1.0360 1.0360 1.8488 1.8488 2.0367 2.0367 2.2995 2.2995 2.5593 2.5593 2.7896 2.7896 3.0580 3.0580 3.2019 3.2019 3.7179 3.7179 3.9814 3.9814 4.6869 4.6869 5.0022 5.0022 6.8797 6.8797 7.6724 7.6724 7.8061 7.8061 8.1170 8.1170 9.5029 9.5029 k = 0.3387-0.0000-0.0000 ( 6738 PWs) bands (ev): -21.5391 -21.5391 -21.5234 -21.5234 -6.3605 -6.3605 -6.3038 -6.3038 -5.8877 -5.8877 -5.4765 -5.4765 -5.4272 -5.4272 -5.3287 -5.3287 -5.2000 -5.2000 -4.7988 -4.7988 -0.4883 -0.4883 0.1534 0.1534 0.3831 0.3831 0.7475 0.7475 1.0367 1.0367 1.8470 1.8470 2.0426 2.0426 2.3002 2.3002 2.5592 2.5592 2.7934 2.7934 3.0332 3.0332 3.1899 3.1899 3.7105 3.7105 3.9757 3.9757 4.6743 4.6743 4.9824 4.9824 6.9175 6.9175 7.6952 7.6952 7.8206 7.8206 8.1211 8.1211 9.4633 9.4633 k = 0.3548-0.0000-0.0000 ( 6742 PWs) bands (ev): -21.5390 -21.5390 -21.5234 -21.5234 -6.3668 -6.3668 -6.3039 -6.3039 -5.8874 -5.8874 -5.4756 -5.4756 -5.4289 -5.4289 -5.3279 -5.3279 -5.1925 -5.1925 -4.7965 -4.7965 -0.4880 -0.4880 0.1511 0.1511 0.3849 0.3849 0.7462 0.7462 1.0374 1.0374 1.8453 1.8453 2.0486 2.0486 2.3008 2.3008 2.5593 2.5593 2.7969 2.7969 3.0056 3.0056 3.1819 3.1819 3.7043 3.7043 3.9705 3.9705 4.6617 4.6617 4.9652 4.9652 6.9534 6.9534 7.7134 7.7134 7.8367 7.8367 8.1294 8.1294 9.4188 9.4188 k = 0.3710-0.0000-0.0000 ( 6746 PWs) bands (ev): -21.5390 -21.5390 -21.5233 -21.5233 -6.3726 -6.3726 -6.3039 -6.3039 -5.8870 -5.8870 -5.4747 -5.4747 -5.4305 -5.4305 -5.3271 -5.3271 -5.1856 -5.1856 -4.7944 -4.7944 -0.4878 -0.4878 0.1489 0.1489 0.3864 0.3864 0.7451 0.7451 1.0380 1.0380 1.8437 1.8437 2.0545 2.0545 2.3016 2.3016 2.5596 2.5596 2.8001 2.8001 2.9769 2.9769 3.1766 3.1766 3.6991 3.6991 3.9660 3.9660 4.6496 4.6496 4.9503 4.9503 6.9870 6.9870 7.7261 7.7261 7.8557 7.8557 8.1410 8.1410 9.3709 9.3709 k = 0.3871-0.0000-0.0000 ( 6750 PWs) bands (ev): -21.5389 -21.5389 -21.5233 -21.5233 -6.3779 -6.3779 -6.3040 -6.3040 -5.8868 -5.8868 -5.4739 -5.4739 -5.4318 -5.4318 -5.3264 -5.3264 -5.1795 -5.1795 -4.7925 -4.7925 -0.4877 -0.4877 0.1470 0.1470 0.3877 0.3877 0.7442 0.7442 1.0385 1.0385 1.8423 1.8423 2.0603 2.0603 2.3023 2.3023 2.5600 2.5600 2.8030 2.8030 2.9488 2.9488 3.1732 3.1732 3.6948 3.6948 3.9619 3.9619 4.6381 4.6381 4.9376 4.9376 7.0179 7.0179 7.7334 7.7334 7.8773 7.8773 8.1550 8.1550 9.3214 9.3214 k = 0.4032-0.0000-0.0000 ( 6744 PWs) bands (ev): -21.5388 -21.5388 -21.5232 -21.5232 -6.3825 -6.3825 -6.3040 -6.3040 -5.8865 -5.8865 -5.4733 -5.4733 -5.4330 -5.4330 -5.3258 -5.3258 -5.1740 -5.1740 -4.7909 -4.7909 -0.4875 -0.4875 0.1453 0.1453 0.3889 0.3889 0.7434 0.7434 1.0391 1.0391 1.8410 1.8410 2.0658 2.0658 2.3030 2.3030 2.5605 2.5605 2.8055 2.8055 2.9224 2.9224 3.1710 3.1710 3.6913 3.6913 3.9584 3.9584 4.6276 4.6276 4.9271 4.9271 7.0455 7.0455 7.7368 7.7368 7.9004 7.9004 8.1703 8.1703 9.2723 9.2723 k = 0.4194-0.0000-0.0000 ( 6748 PWs) bands (ev): -21.5388 -21.5388 -21.5232 -21.5232 -6.3865 -6.3865 -6.3040 -6.3040 -5.8863 -5.8863 -5.4727 -5.4727 -5.4340 -5.4340 -5.3253 -5.3253 -5.1693 -5.1693 -4.7894 -4.7894 -0.4874 -0.4874 0.1438 0.1438 0.3899 0.3899 0.7428 0.7428 1.0395 1.0395 1.8400 1.8400 2.0708 2.0708 2.3037 2.3037 2.5611 2.5611 2.8075 2.8075 2.8987 2.8987 3.1695 3.1695 3.6885 3.6885 3.9555 3.9555 4.6183 4.6183 4.9184 4.9184 7.0695 7.0695 7.7377 7.7377 7.9232 7.9232 8.1859 8.1859 9.2258 9.2258 k = 0.4355-0.0000-0.0000 ( 6750 PWs) bands (ev): -21.5388 -21.5388 -21.5232 -21.5232 -6.3898 -6.3898 -6.3040 -6.3040 -5.8861 -5.8861 -5.4723 -5.4723 -5.4347 -5.4347 -5.3248 -5.3248 -5.1655 -5.1655 -4.7882 -4.7882 -0.4873 -0.4873 0.1425 0.1425 0.3907 0.3907 0.7423 0.7423 1.0399 1.0399 1.8391 1.8391 2.0753 2.0753 2.3043 2.3043 2.5618 2.5618 2.8090 2.8090 2.8784 2.8784 3.1686 3.1686 3.6862 3.6862 3.9531 3.9531 4.6103 4.6103 4.9116 4.9116 7.0896 7.0896 7.7373 7.7373 7.9440 7.9440 8.2008 8.2008 9.1838 9.1838 k = 0.4516-0.0000-0.0000 ( 6752 PWs) bands (ev): -21.5387 -21.5387 -21.5232 -21.5232 -6.3924 -6.3924 -6.3041 -6.3041 -5.8859 -5.8859 -5.4719 -5.4719 -5.4353 -5.4353 -5.3245 -5.3245 -5.1624 -5.1624 -4.7872 -4.7872 -0.4873 -0.4873 0.1415 0.1415 0.3913 0.3913 0.7419 0.7419 1.0402 1.0402 1.8384 1.8384 2.0789 2.0789 2.3049 2.3049 2.5625 2.5625 2.8098 2.8098 2.8623 2.8623 3.1680 3.1680 3.6846 3.6846 3.9512 3.9512 4.6040 4.6040 4.9064 4.9064 7.1055 7.1055 7.7363 7.7363 7.9617 7.9617 8.2139 8.2139 9.1484 9.1484 k = 0.4677-0.0000-0.0000 ( 6750 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3942 -6.3942 -6.3041 -6.3041 -5.8858 -5.8858 -5.4717 -5.4717 -5.4358 -5.4358 -5.3243 -5.3243 -5.1602 -5.1602 -4.7866 -4.7866 -0.4872 -0.4872 0.1408 0.1408 0.3917 0.3917 0.7416 0.7416 1.0404 1.0404 1.8379 1.8379 2.0816 2.0816 2.3053 2.3053 2.5631 2.5631 2.8100 2.8100 2.8507 2.8507 3.1676 3.1676 3.6834 3.6834 3.9499 3.9499 4.5993 4.5993 4.9027 4.9027 7.1170 7.1170 7.7354 7.7354 7.9751 7.9751 8.2244 8.2244 9.1214 9.1214 k = 0.4839-0.0000-0.0000 ( 6758 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3953 -6.3953 -6.3041 -6.3041 -5.8858 -5.8858 -5.4716 -5.4716 -5.4360 -5.4360 -5.3241 -5.3241 -5.1589 -5.1589 -4.7861 -4.7861 -0.4872 -0.4872 0.1404 0.1404 0.3920 0.3920 0.7415 0.7415 1.0405 1.0405 1.8376 1.8376 2.0833 2.0833 2.3055 2.3055 2.5635 2.5635 2.8098 2.8098 2.8440 2.8440 3.1674 3.1674 3.6827 3.6827 3.9491 3.9491 4.5965 4.5965 4.9005 4.9005 7.1239 7.1239 7.7347 7.7347 7.9835 7.9835 8.2311 8.2311 9.1045 9.1045 k = 0.5000-0.0000-0.0000 ( 6764 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3957 -6.3957 -6.3041 -6.3041 -5.8857 -5.8857 -5.4715 -5.4715 -5.4361 -5.4361 -5.3241 -5.3241 -5.1585 -5.1585 -4.7860 -4.7860 -0.4872 -0.4872 0.1403 0.1403 0.3921 0.3921 0.7414 0.7414 1.0405 1.0405 1.8375 1.8375 2.0839 2.0839 2.3056 2.3056 2.5637 2.5637 2.8096 2.8096 2.8418 2.8418 3.1673 3.1673 3.6824 3.6824 3.9488 3.9488 4.5956 4.5956 4.8998 4.8998 7.1263 7.1263 7.7344 7.7344 7.9863 7.9863 8.2334 8.2334 9.0987 9.0987 k = 0.5000-0.0000-0.0000 ( 6764 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3957 -6.3957 -6.3041 -6.3041 -5.8857 -5.8857 -5.4715 -5.4715 -5.4361 -5.4361 -5.3241 -5.3241 -5.1585 -5.1585 -4.7860 -4.7860 -0.4872 -0.4872 0.1403 0.1403 0.3921 0.3921 0.7414 0.7414 1.0405 1.0405 1.8375 1.8375 2.0839 2.0839 2.3056 2.3056 2.5637 2.5637 2.8096 2.8096 2.8418 2.8418 3.1673 3.1673 3.6824 3.6824 3.9488 3.9488 4.5956 4.5956 4.8998 4.8998 7.1263 7.1263 7.7344 7.7344 7.9863 7.9863 8.2334 8.2334 9.0987 9.0987 k = 0.5000 0.0158-0.0000 ( 6744 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3953 -6.3953 -6.3040 -6.3040 -5.8854 -5.8854 -5.4714 -5.4714 -5.4360 -5.4360 -5.3242 -5.3242 -5.1586 -5.1586 -4.7873 -4.7873 -0.4855 -0.4855 0.1418 0.1418 0.3927 0.3927 0.7422 0.7422 1.0406 1.0406 1.8370 1.8370 2.0837 2.0837 2.3053 2.3053 2.5608 2.5608 2.8045 2.8045 2.8475 2.8475 3.1678 3.1678 3.6821 3.6821 3.9468 3.9468 4.5930 4.5930 4.8959 4.8959 7.1272 7.1272 7.7355 7.7355 7.9959 7.9959 8.2393 8.2393 9.0966 9.0966 k = 0.5000 0.0317-0.0000 ( 6752 PWs) bands (ev): -21.5386 -21.5386 -21.5232 -21.5232 -6.3941 -6.3941 -6.3039 -6.3039 -5.8846 -5.8846 -5.4710 -5.4710 -5.4358 -5.4358 -5.3245 -5.3245 -5.1591 -5.1591 -4.7912 -4.7912 -0.4806 -0.4806 0.1462 0.1462 0.3944 0.3944 0.7447 0.7447 1.0408 1.0408 1.8354 1.8354 2.0831 2.0831 2.3042 2.3042 2.5522 2.5522 2.7942 2.7942 2.8591 2.8591 3.1695 3.1695 3.6809 3.6809 3.9406 3.9406 4.5848 4.5848 4.8847 4.8847 7.1307 7.1307 7.7389 7.7389 8.0232 8.0232 8.2572 8.2572 9.0900 9.0900 k = 0.5000 0.0475-0.0000 ( 6740 PWs) bands (ev): -21.5386 -21.5386 -21.5232 -21.5232 -6.3920 -6.3920 -6.3036 -6.3036 -5.8831 -5.8831 -5.4704 -5.4704 -5.4355 -5.4355 -5.3249 -5.3249 -5.1599 -5.1599 -4.7977 -4.7977 -0.4723 -0.4723 0.1537 0.1537 0.3974 0.3974 0.7487 0.7487 1.0411 1.0411 1.8329 1.8329 2.0821 2.0821 2.3026 2.3026 2.5380 2.5380 2.7832 2.7832 2.8721 2.8721 3.1726 3.1726 3.6789 3.6789 3.9304 3.9304 4.5705 4.5705 4.8674 4.8674 7.1378 7.1378 7.7445 7.7445 8.0648 8.0648 8.2885 8.2885 9.0794 9.0794 k = 0.5000 0.0634-0.0000 ( 6746 PWs) bands (ev): -21.5385 -21.5385 -21.5233 -21.5233 -6.3892 -6.3892 -6.3033 -6.3033 -5.8810 -5.8810 -5.4696 -5.4696 -5.4350 -5.4350 -5.3256 -5.3256 -5.1611 -5.1611 -4.8067 -4.8067 -0.4608 -0.4608 0.1640 0.1640 0.4014 0.4014 0.7544 0.7544 1.0414 1.0414 1.8293 1.8293 2.0806 2.0806 2.3003 2.3003 2.5186 2.5186 2.7727 2.7727 2.8847 2.8847 3.1777 3.1777 3.6759 3.6759 3.9163 3.9163 4.5490 4.5490 4.8462 4.8462 7.1502 7.1502 7.7526 7.7526 8.1155 8.1155 8.3351 8.3351 9.0649 9.0649 k = 0.5000 0.0792-0.0000 ( 6754 PWs) bands (ev): -21.5384 -21.5384 -21.5234 -21.5234 -6.3857 -6.3857 -6.3028 -6.3028 -5.8782 -5.8782 -5.4685 -5.4685 -5.4344 -5.4344 -5.3264 -5.3264 -5.1625 -5.1625 -4.8181 -4.8181 -0.4461 -0.4461 0.1771 0.1771 0.4066 0.4066 0.7615 0.7615 1.0419 1.0419 1.8247 1.8247 2.0785 2.0785 2.2974 2.2974 2.4943 2.4943 2.7629 2.7629 2.8961 2.8961 3.1852 3.1852 3.6714 3.6714 3.8984 3.8984 4.5193 4.5193 4.8234 4.8234 7.1691 7.1691 7.7632 7.7632 8.1703 8.1703 8.3985 8.3985 9.0470 9.0470 k = 0.5000 0.0951-0.0000 ( 6750 PWs) bands (ev): -21.5382 -21.5382 -21.5236 -21.5236 -6.3815 -6.3815 -6.3023 -6.3023 -5.8748 -5.8748 -5.4673 -5.4673 -5.4338 -5.4338 -5.3274 -5.3274 -5.1643 -5.1643 -4.8319 -4.8319 -0.4283 -0.4283 0.1928 0.1928 0.4128 0.4128 0.7702 0.7702 1.0425 1.0425 1.8192 1.8192 2.0756 2.0756 2.2940 2.2940 2.4656 2.4656 2.7542 2.7542 2.9054 2.9054 3.1959 3.1959 3.6651 3.6651 3.8773 3.8773 4.4812 4.4812 4.8010 4.8010 7.1955 7.1955 7.7763 7.7763 8.2264 8.2264 8.4778 8.4778 9.0267 9.0267 k = 0.5000 0.1109-0.0000 ( 6762 PWs) bands (ev): -21.5380 -21.5380 -21.5237 -21.5237 -6.3767 -6.3767 -6.3016 -6.3016 -5.8705 -5.8705 -5.4658 -5.4658 -5.4330 -5.4330 -5.3285 -5.3285 -5.1664 -5.1664 -4.8478 -4.8478 -0.4073 -0.4073 0.2112 0.2112 0.4200 0.4200 0.7803 0.7803 1.0431 1.0431 1.8128 1.8128 2.0716 2.0716 2.2902 2.2902 2.4332 2.4332 2.7464 2.7464 2.9122 2.9122 3.2101 3.2101 3.6560 3.6560 3.8536 3.8536 4.4352 4.4352 4.7801 4.7801 7.2299 7.2299 7.7920 7.7920 8.2832 8.2832 8.5691 8.5691 9.0058 9.0058 k = 0.5000 0.1267-0.0000 ( 6762 PWs) bands (ev): -21.5378 -21.5378 -21.5239 -21.5239 -6.3714 -6.3714 -6.3009 -6.3009 -5.8654 -5.8654 -5.4641 -5.4641 -5.4323 -5.4323 -5.3297 -5.3297 -5.1687 -5.1687 -4.8658 -4.8658 -0.3833 -0.3833 0.2318 0.2318 0.4280 0.4280 0.7917 0.7917 1.0437 1.0437 1.8055 1.8055 2.0661 2.0661 2.2860 2.2860 2.3980 2.3980 2.7397 2.7397 2.9162 2.9162 3.2279 3.2279 3.6426 3.6426 3.8288 3.8288 4.3830 4.3830 4.7610 4.7610 7.2720 7.2720 7.8102 7.8102 8.3416 8.3416 8.6649 8.6649 8.9889 8.9889 k = 0.5000 0.1426-0.0000 ( 6746 PWs) bands (ev): -21.5376 -21.5376 -21.5241 -21.5241 -6.3657 -6.3657 -6.3002 -6.3002 -5.8594 -5.8594 -5.4622 -5.4622 -5.4315 -5.4315 -5.3311 -5.3311 -5.1713 -5.1713 -4.8857 -4.8857 -0.3564 -0.3564 0.2547 0.2547 0.4370 0.4370 0.8044 0.8044 1.0444 1.0444 1.7974 1.7974 2.0587 2.0587 2.2813 2.2813 2.3611 2.3611 2.7339 2.7339 2.9174 2.9174 3.2491 3.2491 3.6227 3.6227 3.8050 3.8050 4.3270 4.3270 4.7432 4.7432 7.3216 7.3216 7.8311 7.8311 8.4024 8.4024 8.7492 8.7492 8.9892 8.9892 k = 0.5000 0.1584-0.0000 ( 6740 PWs) bands (ev): -21.5374 -21.5374 -21.5244 -21.5244 -6.3597 -6.3597 -6.2993 -6.2993 -5.8524 -5.8524 -5.4602 -5.4602 -5.4308 -5.4308 -5.3325 -5.3325 -5.1742 -5.1742 -4.9073 -4.9073 -0.3267 -0.3267 0.2794 0.2794 0.4468 0.4468 0.8182 0.8182 1.0450 1.0450 1.7884 1.7884 2.0484 2.0484 2.2756 2.2756 2.3245 2.3245 2.7292 2.7292 2.9160 2.9160 3.2735 3.2735 3.5937 3.5937 3.7848 3.7848 4.2694 4.2694 4.7262 4.7262 7.3779 7.3779 7.8550 7.8550 8.4661 8.4661 8.7922 8.7922 9.0344 9.0344 k = 0.5000 0.1743-0.0000 ( 6734 PWs) bands (ev): -21.5371 -21.5371 -21.5246 -21.5246 -6.3534 -6.3534 -6.2984 -6.2984 -5.8443 -5.8443 -5.4580 -5.4580 -5.4301 -5.4301 -5.3340 -5.3340 -5.1773 -5.1773 -4.9305 -4.9305 -0.2944 -0.2944 0.3057 0.3057 0.4574 0.4574 0.8330 0.8330 1.0456 1.0456 1.7787 1.7787 2.0343 2.0343 2.2654 2.2654 2.2934 2.2934 2.7255 2.7255 2.9123 2.9123 3.3002 3.3002 3.5539 3.5539 3.7704 3.7704 4.2123 4.2123 4.7092 4.7092 7.4398 7.4398 7.8820 7.8820 8.5328 8.5328 8.7889 8.7889 9.1279 9.1279 k = 0.5000 0.1901-0.0000 ( 6746 PWs) bands (ev): -21.5368 -21.5368 -21.5249 -21.5249 -6.3471 -6.3471 -6.2974 -6.2974 -5.8351 -5.8351 -5.4556 -5.4556 -5.4296 -5.4296 -5.3356 -5.3356 -5.1807 -5.1807 -4.9549 -4.9549 -0.2595 -0.2595 0.3331 0.3331 0.4689 0.4689 0.8486 0.8486 1.0460 1.0460 1.7681 1.7681 2.0152 2.0152 2.2417 2.2417 2.2787 2.2787 2.7229 2.7229 2.9066 2.9066 3.3285 3.3285 3.5038 3.5038 3.7624 3.7624 4.1572 4.1572 4.6917 4.6917 7.5062 7.5062 7.9129 7.9129 8.6021 8.6021 8.7641 8.7641 9.2437 9.2437 k = 0.5000 0.2059-0.0000 ( 6746 PWs) bands (ev): -21.5365 -21.5365 -21.5252 -21.5252 -6.3407 -6.3407 -6.2964 -6.2964 -5.8246 -5.8246 -5.4532 -5.4532 -5.4294 -5.4294 -5.3372 -5.3372 -5.1843 -5.1843 -4.9804 -4.9804 -0.2223 -0.2223 0.3609 0.3609 0.4817 0.4817 0.8650 0.8650 1.0463 1.0463 1.7564 1.7564 1.9903 1.9903 2.2133 2.2133 2.2734 2.2734 2.7212 2.7212 2.8991 2.8991 3.3568 3.3568 3.4455 3.4455 3.7604 3.7604 4.1052 4.1052 4.6732 4.6732 7.5752 7.5752 7.9485 7.9485 8.6724 8.6724 8.7325 8.7325 9.3672 9.3672 k = 0.5000 0.2218-0.0000 ( 6736 PWs) bands (ev): -21.5362 -21.5362 -21.5255 -21.5255 -6.3344 -6.3344 -6.2954 -6.2954 -5.8128 -5.8128 -5.4507 -5.4507 -5.4294 -5.4294 -5.3389 -5.3389 -5.1880 -5.1880 -5.0066 -5.0066 -0.1831 -0.1831 0.3879 0.3879 0.4965 0.4965 0.8818 0.8818 1.0464 1.0464 1.7431 1.7431 1.9600 1.9600 2.1878 2.1878 2.2709 2.2709 2.7205 2.7205 2.8901 2.8901 3.3672 3.3672 3.3984 3.3984 3.7640 3.7640 4.0567 4.0567 4.6532 4.6532 7.6450 7.6450 7.9899 7.9899 8.6901 8.6901 8.7520 8.7520 9.4927 9.4927 k = 0.5000 0.2376-0.0000 ( 6726 PWs) bands (ev): -21.5358 -21.5358 -21.5258 -21.5258 -6.3283 -6.3283 -6.2944 -6.2944 -5.7997 -5.7997 -5.4483 -5.4483 -5.4297 -5.4297 -5.3406 -5.3406 -5.1919 -5.1919 -5.0333 -5.0333 -0.1419 -0.1419 0.4126 0.4126 0.5144 0.5144 0.8989 0.8989 1.0461 1.0461 1.7270 1.7270 1.9263 1.9263 2.1661 2.1661 2.2702 2.2702 2.7207 2.7207 2.8796 2.8796 3.3042 3.3042 3.4194 3.4194 3.7730 3.7730 4.0117 4.0117 4.6315 4.6315 7.7129 7.7129 8.0389 8.0389 8.6539 8.6539 8.8255 8.8255 9.6159 9.6159 k = 0.5000 0.2535-0.0000 ( 6734 PWs) bands (ev): -21.5355 -21.5355 -21.5262 -21.5262 -6.3226 -6.3226 -6.2934 -6.2934 -5.7853 -5.7853 -5.4461 -5.4461 -5.4303 -5.4303 -5.3425 -5.3425 -5.1960 -5.1960 -5.0601 -5.0601 -0.0992 -0.0992 0.4331 0.4331 0.5368 0.5368 0.9162 0.9162 1.0454 1.0454 1.7063 1.7063 1.8931 1.8931 2.1473 2.1473 2.2713 2.2713 2.7218 2.7218 2.8677 2.8677 3.2318 3.2318 3.4458 3.4458 3.7876 3.7876 3.9699 3.9699 4.6079 4.6079 7.7765 7.7765 8.0969 8.0969 8.6163 8.6163 8.9007 8.9007 9.6191 9.6191 k = 0.5000 0.2693-0.0000 ( 6752 PWs) bands (ev): -21.5351 -21.5351 -21.5265 -21.5265 -6.3171 -6.3171 -6.2923 -6.2923 -5.7694 -5.7694 -5.4446 -5.4446 -5.4308 -5.4308 -5.3446 -5.3446 -5.2001 -5.2001 -5.0865 -5.0865 -0.0553 -0.0553 0.4483 0.4483 0.5643 0.5643 0.9335 0.9335 1.0441 1.0441 1.6784 1.6784 1.8646 1.8646 2.1301 2.1301 2.2744 2.2744 2.7237 2.7237 2.8540 2.8540 3.1585 3.1585 3.4705 3.4705 3.8078 3.8078 3.9311 3.9311 4.5822 4.5822 7.8341 7.8341 8.1642 8.1642 8.5799 8.5799 8.9752 8.9752 9.5906 9.5906 k = 0.5000 0.2852-0.0000 ( 6752 PWs) bands (ev): -21.5347 -21.5347 -21.5269 -21.5269 -6.3121 -6.3121 -6.2914 -6.2914 -5.7522 -5.7522 -5.4447 -5.4447 -5.4305 -5.4305 -5.3470 -5.3470 -5.2042 -5.2042 -5.1122 -5.1122 -0.0104 -0.0104 0.4582 0.4582 0.5965 0.5965 0.9509 0.9509 1.0421 1.0421 1.6417 1.6417 1.8443 1.8443 2.1135 2.1135 2.2798 2.2798 2.7264 2.7264 2.8378 2.8378 3.0871 3.0871 3.4930 3.4930 3.8335 3.8335 3.8951 3.8951 4.5542 4.5542 7.8853 7.8853 8.2391 8.2391 8.5467 8.5467 9.0473 9.0473 9.5660 9.5660 k = 0.5000 0.3010-0.0000 ( 6744 PWs) bands (ev): -21.5343 -21.5343 -21.5273 -21.5273 -6.3076 -6.3076 -6.2905 -6.2905 -5.7336 -5.7336 -5.4473 -5.4473 -5.4289 -5.4289 -5.3499 -5.3499 -5.2083 -5.2083 -5.1364 -5.1364 0.0349 0.0349 0.4633 0.4633 0.6320 0.6320 0.9681 0.9681 1.0392 1.0392 1.5968 1.5968 1.8330 1.8330 2.0967 2.0967 2.2876 2.2876 2.7294 2.7294 2.8181 2.8181 3.0205 3.0205 3.5133 3.5133 3.8584 3.8584 3.8673 3.8673 4.5239 4.5239 7.9310 7.9310 8.3153 8.3153 8.5216 8.5216 9.1151 9.1151 9.5457 9.5457 k = 0.5000 0.3168-0.0000 ( 6736 PWs) bands (ev): -21.5339 -21.5339 -21.5277 -21.5277 -6.3035 -6.3035 -6.2896 -6.2896 -5.7138 -5.7138 -5.4522 -5.4522 -5.4262 -5.4262 -5.3536 -5.3536 -5.2124 -5.2124 -5.1586 -5.1586 0.0802 0.0802 0.4641 0.4641 0.6699 0.6699 0.9850 0.9850 1.0356 1.0356 1.5461 1.5461 1.8297 1.8297 2.0794 2.0794 2.2981 2.2981 2.7317 2.7317 2.7934 2.7934 2.9622 2.9622 3.5317 3.5317 3.8290 3.8290 3.9003 3.9003 4.4913 4.4913 7.9724 7.9724 8.3722 8.3722 8.5234 8.5234 9.1760 9.1760 9.5298 9.5298 k = 0.5000 0.3327-0.0000 ( 6730 PWs) bands (ev): -21.5334 -21.5334 -21.5281 -21.5281 -6.3000 -6.3000 -6.2889 -6.2889 -5.6929 -5.6929 -5.4595 -5.4595 -5.4229 -5.4229 -5.3581 -5.3581 -5.2163 -5.2163 -5.1782 -5.1782 0.1251 0.1251 0.4609 0.4609 0.7092 0.7092 0.9998 0.9998 1.0331 1.0331 1.4919 1.4919 1.8327 1.8327 2.0611 2.0611 2.3116 2.3116 2.7273 2.7273 2.7674 2.7674 2.9158 2.9158 3.5490 3.5490 3.7993 3.7993 3.9392 3.9392 4.4564 4.4564 8.0106 8.0106 8.3809 8.3809 8.5790 8.5790 9.2267 9.2267 9.5185 9.5185 k = 0.5000 0.3485-0.0000 ( 6730 PWs) bands (ev): -21.5330 -21.5330 -21.5285 -21.5285 -6.2969 -6.2969 -6.2883 -6.2883 -5.6710 -5.6710 -5.4692 -5.4692 -5.4192 -5.4192 -5.3634 -5.3634 -5.2200 -5.2200 -5.1946 -5.1946 0.1690 0.1690 0.4537 0.4537 0.7491 0.7491 1.0057 1.0057 1.0389 1.0389 1.4362 1.4362 1.8411 1.8411 2.0417 2.0417 2.3282 2.3282 2.6978 2.6978 2.7586 2.7586 2.8818 2.8818 3.5656 3.5656 3.7712 3.7712 3.9809 3.9809 4.4193 4.4193 8.0466 8.0466 8.3609 8.3609 8.6668 8.6668 9.2633 9.2633 9.5118 9.5118 k = 0.5000 0.3644-0.0000 ( 6734 PWs) bands (ev): -21.5326 -21.5326 -21.5290 -21.5290 -6.2943 -6.2943 -6.2879 -6.2879 -5.6483 -5.6483 -5.4815 -5.4815 -5.4151 -5.4151 -5.3695 -5.3695 -5.2233 -5.2233 -5.2075 -5.2075 0.2114 0.2114 0.4424 0.4424 0.7887 0.7887 0.9994 0.9994 1.0564 1.0564 1.3805 1.3805 1.8537 1.8537 2.0213 2.0213 2.3483 2.3483 2.6517 2.6517 2.7623 2.7623 2.8572 2.8572 3.5820 3.5820 3.7448 3.7448 4.0247 4.0247 4.3802 4.3802 8.0810 8.0810 8.3331 8.3331 8.7642 8.7642 9.2815 9.2815 9.5098 9.5098 k = 0.5000 0.3802-0.0000 ( 6736 PWs) bands (ev): -21.5321 -21.5321 -21.5294 -21.5294 -6.2922 -6.2922 -6.2876 -6.2876 -5.6250 -5.6250 -5.4966 -5.4966 -5.4106 -5.4106 -5.3761 -5.3761 -5.2261 -5.2261 -5.2169 -5.2169 0.2518 0.2518 0.4270 0.4270 0.8272 0.8272 0.9870 0.9870 1.0801 1.0801 1.3260 1.3260 1.8699 1.8699 1.9998 1.9998 2.3721 2.3721 2.6024 2.6024 2.7691 2.7691 2.8383 2.8383 3.5988 3.5988 3.7199 3.7199 4.0699 4.0699 4.3392 4.3392 8.1143 8.1143 8.3031 8.3031 8.8633 8.8633 9.2779 9.2779 9.5126 9.5126 k = 0.5000 0.3960-0.0000 ( 6744 PWs) bands (ev): -21.5317 -21.5317 -21.5299 -21.5299 -6.2906 -6.2906 -6.2876 -6.2876 -5.6016 -5.6016 -5.5142 -5.5142 -5.4058 -5.4058 -5.3827 -5.3827 -5.2282 -5.2282 -5.2233 -5.2233 0.2897 0.2897 0.4073 0.4073 0.8634 0.8634 0.9705 0.9705 1.1087 1.1087 1.2739 1.2739 1.8888 1.8888 1.9775 1.9775 2.4000 2.4000 2.5543 2.5543 2.7775 2.7775 2.8228 2.8228 3.6162 3.6162 3.6965 3.6965 4.1157 4.1157 4.2966 4.2966 8.1467 8.1467 8.2723 8.2723 8.9602 8.9602 9.2507 9.2507 9.5204 9.5204 k = 0.5000 0.4119-0.0000 ( 6748 PWs) bands (ev): -21.5312 -21.5312 -21.5303 -21.5303 -6.2893 -6.2893 -6.2879 -6.2879 -5.5783 -5.5783 -5.5341 -5.5341 -5.4007 -5.4007 -5.3891 -5.3891 -5.2292 -5.2292 -5.2272 -5.2272 0.3245 0.3245 0.3836 0.3836 0.8964 0.8964 0.9500 0.9500 1.1423 1.1423 1.2254 1.2254 1.9098 1.9098 1.9547 1.9547 2.4321 2.4321 2.5094 2.5094 2.7870 2.7870 2.8094 2.8094 3.6345 3.6345 3.6746 3.6746 4.1618 4.1618 4.2526 4.2526 8.1786 8.1786 8.2413 8.2413 9.0515 9.0515 9.2013 9.2013 9.5333 9.5333 k = 0.5000 0.4277-0.0000 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2884 -6.2884 -6.2884 -6.2884 -5.5556 -5.5556 -5.5556 -5.5556 -5.3951 -5.3951 -5.3951 -5.3951 -5.2290 -5.2290 -5.2290 -5.2290 0.3558 0.3558 0.3560 0.3560 0.9252 0.9252 0.9254 0.9254 1.1812 1.1812 1.1813 1.1813 1.9318 1.9318 1.9320 1.9320 2.4685 2.4685 2.4687 2.4687 2.7975 2.7975 2.7977 2.7977 3.6539 3.6539 3.6539 3.6539 4.2075 4.2075 4.2076 4.2076 8.2101 8.2101 8.2101 8.2101 9.1333 9.1333 9.1333 9.1333 9.5513 9.5513 k = 0.5000 0.4277-0.0000 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2884 -6.2884 -6.2884 -6.2884 -5.5556 -5.5556 -5.5556 -5.5556 -5.3951 -5.3951 -5.3951 -5.3951 -5.2290 -5.2290 -5.2290 -5.2290 0.3558 0.3558 0.3560 0.3560 0.9252 0.9252 0.9254 0.9254 1.1812 1.1812 1.1813 1.1813 1.9318 1.9318 1.9320 1.9320 2.4685 2.4685 2.4687 2.4687 2.7975 2.7975 2.7977 2.7977 3.6539 3.6539 3.6539 3.6539 4.2075 4.2075 4.2076 4.2076 8.2101 8.2101 8.2101 8.2101 9.1333 9.1333 9.1333 9.1333 9.5513 9.5513 k = 0.4839 0.4277-0.0000 ( 6752 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2891 -6.2891 -6.2878 -6.2878 -5.5621 -5.5621 -5.5496 -5.5496 -5.4017 -5.4017 -5.3890 -5.3890 -5.2291 -5.2291 -5.2276 -5.2276 0.3556 0.3556 0.3563 0.3563 0.9242 0.9242 0.9263 0.9263 1.1804 1.1804 1.1823 1.1823 1.9304 1.9304 1.9334 1.9334 2.4646 2.4646 2.4720 2.4720 2.7968 2.7968 2.7974 2.7974 3.6531 3.6531 3.6537 3.6537 4.2046 4.2046 4.2131 4.2131 8.2120 8.2120 8.2127 8.2127 9.1297 9.1297 9.1356 9.1356 9.5518 9.5518 k = 0.4677 0.4277-0.0000 ( 6756 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2899 -6.2899 -6.2873 -6.2873 -5.5689 -5.5689 -5.5441 -5.5441 -5.4086 -5.4086 -5.3836 -5.3836 -5.2278 -5.2278 -5.2250 -5.2250 0.3552 0.3552 0.3565 0.3565 0.9231 0.9231 0.9271 0.9271 1.1797 1.1797 1.1834 1.1834 1.9287 1.9287 1.9347 1.9347 2.4602 2.4602 2.4749 2.4749 2.7950 2.7950 2.7960 2.7960 3.6514 3.6514 3.6526 3.6526 4.2043 4.2043 4.2211 4.2211 8.2183 8.2183 8.2200 8.2200 9.1245 9.1245 9.1365 9.1365 9.5571 9.5571 k = 0.4516 0.4277-0.0000 ( 6750 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2907 -6.2907 -6.2868 -6.2868 -5.5760 -5.5760 -5.5395 -5.5395 -5.4155 -5.4155 -5.3790 -5.3790 -5.2252 -5.2252 -5.2213 -5.2213 0.3548 0.3548 0.3568 0.3568 0.9218 0.9218 0.9278 0.9278 1.1791 1.1791 1.1846 1.1846 1.9269 1.9269 1.9358 1.9358 2.4553 2.4553 2.4773 2.4773 2.7921 2.7921 2.7935 2.7935 3.6487 3.6487 3.6506 3.6506 4.2068 4.2068 4.2316 4.2316 8.2289 8.2289 8.2318 8.2318 9.1180 9.1180 9.1363 9.1363 9.5672 9.5672 k = 0.4355 0.4277-0.0000 ( 6738 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2917 -6.2917 -6.2865 -6.2865 -5.5833 -5.5833 -5.5358 -5.5358 -5.4221 -5.4221 -5.3752 -5.3752 -5.2212 -5.2212 -5.2166 -5.2166 0.3544 0.3544 0.3570 0.3570 0.9205 0.9205 0.9285 0.9285 1.1787 1.1787 1.1858 1.1858 1.9251 1.9251 1.9368 1.9368 2.4500 2.4500 2.4791 2.4791 2.7883 2.7883 2.7900 2.7900 3.6450 3.6450 3.6479 3.6479 4.2120 4.2120 4.2443 4.2443 8.2437 8.2437 8.2482 8.2482 9.1100 9.1100 9.1351 9.1351 9.5819 9.5819 k = 0.4194 0.4277-0.0000 ( 6736 PWs) bands (ev): -21.5309 -21.5309 -21.5309 -21.5309 -6.2926 -6.2926 -6.2862 -6.2862 -5.5907 -5.5907 -5.5334 -5.5334 -5.4279 -5.4279 -5.3722 -5.3722 -5.2159 -5.2159 -5.2112 -5.2112 0.3540 0.3540 0.3572 0.3572 0.9191 0.9191 0.9290 0.9290 1.1785 1.1785 1.1872 1.1872 1.9232 1.9232 1.9375 1.9375 2.4442 2.4442 2.4803 2.4803 2.7837 2.7837 2.7854 2.7854 3.6404 3.6404 3.6443 3.6443 4.2199 4.2199 4.2591 4.2591 8.2623 8.2623 8.2692 8.2692 9.1006 9.1006 9.1331 9.1331 9.6012 9.6012 k = 0.4032 0.4277-0.0000 ( 6744 PWs) bands (ev): -21.5309 -21.5309 -21.5309 -21.5309 -6.2936 -6.2936 -6.2861 -6.2861 -5.5981 -5.5981 -5.5324 -5.5324 -5.4327 -5.4327 -5.3699 -5.3699 -5.2096 -5.2096 -5.2051 -5.2051 0.3536 0.3536 0.3574 0.3574 0.9176 0.9176 0.9293 0.9293 1.1784 1.1784 1.1885 1.1885 1.9213 1.9213 1.9381 1.9381 2.4382 2.4382 2.4809 2.4809 2.7784 2.7784 2.7799 2.7799 3.6350 3.6350 3.6401 3.6401 4.2305 4.2305 4.2760 4.2760 8.2845 8.2845 8.2945 8.2945 9.0899 9.0899 9.1305 9.1305 9.6248 9.6248 k = 0.3871 0.4277-0.0000 ( 6740 PWs) bands (ev): -21.5309 -21.5309 -21.5309 -21.5309 -6.2947 -6.2947 -6.2861 -6.2861 -5.6054 -5.6054 -5.5331 -5.5331 -5.4361 -5.4361 -5.3683 -5.3683 -5.2025 -5.2025 -5.1984 -5.1984 0.3532 0.3532 0.3575 0.3575 0.9161 0.9161 0.9296 0.9296 1.1784 1.1784 1.1899 1.1899 1.9194 1.9194 1.9384 1.9384 2.4317 2.4317 2.4809 2.4809 2.7724 2.7724 2.7736 2.7736 3.6289 3.6289 3.6353 3.6353 4.2438 4.2438 4.2947 4.2947 8.3100 8.3100 8.3242 8.3242 9.0780 9.0780 9.1278 9.1278 9.6524 9.6524 k = 0.3710 0.4277-0.0000 ( 6748 PWs) bands (ev): -21.5310 -21.5310 -21.5310 -21.5310 -6.2958 -6.2958 -6.2863 -6.2863 -5.6127 -5.6127 -5.5356 -5.5356 -5.4380 -5.4380 -5.3670 -5.3670 -5.1946 -5.1946 -5.1913 -5.1913 0.3528 0.3528 0.3576 0.3576 0.9146 0.9146 0.9297 0.9297 1.1786 1.1786 1.1913 1.1913 1.9174 1.9174 1.9385 1.9385 2.4250 2.4250 2.4802 2.4802 2.7658 2.7658 2.7666 2.7666 3.6222 3.6222 3.6300 3.6300 4.2595 4.2595 4.3152 4.3152 8.3382 8.3382 8.3580 8.3580 9.0651 9.0651 9.1252 9.1252 9.6838 9.6838 k = 0.3548 0.4277-0.0000 ( 6740 PWs) bands (ev): -21.5311 -21.5311 -21.5310 -21.5310 -6.2969 -6.2969 -6.2865 -6.2865 -5.6198 -5.6198 -5.5397 -5.5397 -5.4384 -5.4384 -5.3662 -5.3662 -5.1863 -5.1863 -5.1838 -5.1838 0.3524 0.3524 0.3576 0.3576 0.9130 0.9130 0.9297 0.9297 1.1789 1.1789 1.1926 1.1926 1.9155 1.9155 1.9383 1.9383 2.4181 2.4181 2.4788 2.4788 2.7588 2.7588 2.7590 2.7590 3.6150 3.6150 3.6242 3.6242 4.2777 4.2777 4.3373 4.3373 8.3689 8.3689 8.3957 8.3957 9.0512 9.0512 9.1232 9.1232 9.7186 9.7186 k = 0.3387 0.4277-0.0000 ( 6726 PWs) bands (ev): -21.5311 -21.5311 -21.5311 -21.5311 -6.2980 -6.2980 -6.2869 -6.2869 -5.6266 -5.6266 -5.5451 -5.5451 -5.4375 -5.4375 -5.3656 -5.3656 -5.1776 -5.1776 -5.1761 -5.1761 0.3520 0.3520 0.3576 0.3576 0.9115 0.9115 0.9296 0.9296 1.1794 1.1794 1.1938 1.1938 1.9136 1.9136 1.9378 1.9378 2.4109 2.4109 2.4768 2.4768 2.7508 2.7508 2.7516 2.7516 3.6073 3.6073 3.6181 3.6181 4.2981 4.2981 4.3609 4.3609 8.4012 8.4012 8.4370 8.4370 9.0367 9.0367 9.1223 9.1223 9.7562 9.7562 k = 0.3226 0.4277-0.0000 ( 6708 PWs) bands (ev): -21.5312 -21.5312 -21.5312 -21.5312 -6.2992 -6.2992 -6.2875 -6.2875 -5.6332 -5.6332 -5.5516 -5.5516 -5.4356 -5.4356 -5.3651 -5.3651 -5.1688 -5.1688 -5.1683 -5.1683 0.3516 0.3516 0.3576 0.3576 0.9100 0.9100 0.9294 0.9294 1.1799 1.1799 1.1950 1.1950 1.9118 1.9118 1.9371 1.9371 2.4037 2.4037 2.4740 2.4740 2.7424 2.7424 2.7441 2.7441 3.5995 3.5995 3.6117 3.6117 4.3206 4.3206 4.3859 4.3859 8.4346 8.4346 8.4817 8.4817 9.0216 9.0216 9.1231 9.1231 9.7957 9.7957 k = 0.3065 0.4277-0.0000 ( 6696 PWs) bands (ev): -21.5312 -21.5312 -21.5312 -21.5312 -6.3004 -6.3004 -6.2881 -6.2881 -5.6395 -5.6395 -5.5589 -5.5589 -5.4329 -5.4329 -5.3648 -5.3648 -5.1603 -5.1603 -5.1599 -5.1599 0.3513 0.3513 0.3575 0.3575 0.9086 0.9086 0.9290 0.9290 1.1805 1.1805 1.1960 1.1960 1.9099 1.9099 1.9361 1.9361 2.3964 2.3964 2.4705 2.4705 2.7338 2.7338 2.7365 2.7365 3.5914 3.5914 3.6050 3.6050 4.3450 4.3450 4.4119 4.4119 8.4682 8.4682 8.5293 8.5293 9.0063 9.0063 9.1262 9.1262 9.8362 9.8362 k = 0.2903 0.4277-0.0000 ( 6694 PWs) bands (ev): -21.5313 -21.5313 -21.5313 -21.5313 -6.3016 -6.3016 -6.2889 -6.2889 -5.6455 -5.6455 -5.5666 -5.5666 -5.4296 -5.4296 -5.3645 -5.3645 -5.1524 -5.1524 -5.1511 -5.1511 0.3509 0.3509 0.3574 0.3574 0.9072 0.9072 0.9285 0.9285 1.1812 1.1812 1.1970 1.1970 1.9082 1.9082 1.9349 1.9349 2.3891 2.3891 2.4663 2.4663 2.7253 2.7253 2.7289 2.7289 3.5834 3.5834 3.5981 3.5981 4.3711 4.3711 4.4390 4.4390 8.5012 8.5012 8.5793 8.5793 8.9911 8.9911 9.1326 9.1326 9.8759 9.8759 k = 0.2742 0.4277-0.0000 ( 6680 PWs) bands (ev): -21.5314 -21.5314 -21.5314 -21.5314 -6.3027 -6.3027 -6.2899 -6.2899 -5.6510 -5.6510 -5.5745 -5.5745 -5.4260 -5.4260 -5.3643 -5.3643 -5.1445 -5.1445 -5.1424 -5.1424 0.3506 0.3506 0.3572 0.3572 0.9059 0.9059 0.9280 0.9280 1.1820 1.1820 1.1977 1.1977 1.9065 1.9065 1.9333 1.9333 2.3819 2.3819 2.4614 2.4614 2.7168 2.7168 2.7213 2.7213 3.5754 3.5754 3.5912 3.5912 4.3987 4.3987 4.4669 4.4669 8.5325 8.5325 8.6309 8.6309 8.9768 8.9768 9.1429 9.1429 9.9126 9.9126 k = 0.2581 0.4277-0.0000 ( 6684 PWs) bands (ev): -21.5315 -21.5315 -21.5314 -21.5314 -6.3039 -6.3039 -6.2909 -6.2909 -5.6562 -5.6562 -5.5826 -5.5826 -5.4221 -5.4221 -5.3641 -5.3641 -5.1367 -5.1367 -5.1339 -5.1339 0.3503 0.3503 0.3570 0.3570 0.9047 0.9047 0.9273 0.9273 1.1827 1.1827 1.1984 1.1984 1.9048 1.9048 1.9316 1.9316 2.3749 2.3749 2.4559 2.4559 2.7085 2.7085 2.7139 2.7139 3.5676 3.5676 3.5842 3.5842 4.4274 4.4274 4.4953 4.4953 8.5612 8.5612 8.6828 8.6828 8.9643 8.9643 9.1580 9.1580 9.9430 9.9430 k = 0.2419 0.4277-0.0000 ( 6680 PWs) bands (ev): -21.5315 -21.5315 -21.5315 -21.5315 -6.3050 -6.3050 -6.2920 -6.2920 -5.6609 -5.6609 -5.5906 -5.5906 -5.4181 -5.4181 -5.3639 -5.3639 -5.1291 -5.1291 -5.1258 -5.1258 0.3501 0.3501 0.3568 0.3568 0.9036 0.9036 0.9264 0.9264 1.1835 1.1835 1.1989 1.1989 1.9032 1.9032 1.9296 1.9296 2.3682 2.3682 2.4498 2.4498 2.7007 2.7007 2.7067 2.7067 3.5600 3.5600 3.5773 3.5773 4.4572 4.4572 4.5241 4.5241 8.5864 8.5864 8.7325 8.7325 8.9559 8.9559 9.1784 9.1784 9.9629 9.9629 k = 0.2258 0.4277-0.0000 ( 6696 PWs) bands (ev): -21.5316 -21.5316 -21.5316 -21.5316 -6.3061 -6.3061 -6.2933 -6.2933 -5.6652 -5.6652 -5.5985 -5.5985 -5.4140 -5.4140 -5.3637 -5.3637 -5.1218 -5.1218 -5.1180 -5.1180 0.3498 0.3498 0.3565 0.3565 0.9027 0.9027 0.9255 0.9255 1.1844 1.1844 1.1993 1.1993 1.9017 1.9017 1.9274 1.9274 2.3618 2.3618 2.4431 2.4431 2.6932 2.6932 2.6998 2.6998 3.5528 3.5528 3.5704 3.5704 4.4876 4.4876 4.5530 4.5530 8.6076 8.6076 8.7751 8.7751 8.9562 8.9562 9.2044 9.2044 9.9687 9.9688 k = 0.2097 0.4277-0.0000 ( 6688 PWs) bands (ev): -21.5317 -21.5317 -21.5317 -21.5317 -6.3071 -6.3071 -6.2946 -6.2946 -5.6690 -5.6690 -5.6061 -5.6061 -5.4099 -5.4099 -5.3635 -5.3635 -5.1147 -5.1147 -5.1106 -5.1106 0.3496 0.3496 0.3562 0.3562 0.9018 0.9018 0.9245 0.9245 1.1852 1.1852 1.1995 1.1995 1.9003 1.9003 1.9251 1.9251 2.3559 2.3559 2.4359 2.4359 2.6862 2.6862 2.6931 2.6931 3.5460 3.5460 3.5637 3.5637 4.5184 4.5184 4.5818 4.5818 8.6246 8.6246 8.8029 8.8029 8.9726 8.9726 9.2360 9.2360 9.9591 9.9591 k = 0.1935 0.4277-0.0000 ( 6696 PWs) bands (ev): -21.5318 -21.5318 -21.5317 -21.5317 -6.3080 -6.3080 -6.2960 -6.2960 -5.6723 -5.6723 -5.6136 -5.6136 -5.4059 -5.4059 -5.3634 -5.3634 -5.1080 -5.1080 -5.1037 -5.1037 0.3495 0.3495 0.3558 0.3558 0.9012 0.9012 0.9234 0.9234 1.1860 1.1860 1.1996 1.1996 1.8990 1.8990 1.9226 1.9226 2.3504 2.3504 2.4283 2.4283 2.6798 2.6798 2.6869 2.6869 3.5396 3.5396 3.5572 3.5572 4.5492 4.5492 4.6101 4.6101 8.6375 8.6375 8.8124 8.8124 9.0080 9.0080 9.2725 9.2725 9.9358 9.9358 k = 0.1774 0.4277-0.0000 ( 6704 PWs) bands (ev): -21.5318 -21.5318 -21.5318 -21.5318 -6.3089 -6.3089 -6.2974 -6.2974 -5.6752 -5.6752 -5.6207 -5.6207 -5.4019 -5.4019 -5.3633 -5.3633 -5.1016 -5.1016 -5.0973 -5.0973 0.3494 0.3494 0.3554 0.3554 0.9007 0.9007 0.9221 0.9221 1.1868 1.1868 1.1995 1.1995 1.8978 1.8978 1.9200 1.9200 2.3456 2.3456 2.4205 2.4205 2.6739 2.6739 2.6810 2.6810 3.5337 3.5337 3.5509 3.5509 4.5798 4.5798 4.6376 4.6376 8.6468 8.6468 8.8090 8.8090 9.0565 9.0565 9.3131 9.3131 9.9034 9.9049 k = 0.1613 0.4277-0.0000 ( 6708 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -6.3097 -6.3097 -6.2988 -6.2988 -5.6775 -5.6775 -5.6276 -5.6276 -5.3981 -5.3981 -5.3632 -5.3632 -5.0957 -5.0957 -5.0913 -5.0913 0.3493 0.3493 0.3550 0.3550 0.9004 0.9004 0.9208 0.9208 1.1876 1.1876 1.1994 1.1994 1.8967 1.8967 1.9173 1.9173 2.3415 2.3415 2.4124 2.4124 2.6686 2.6686 2.6755 2.6755 3.5283 3.5283 3.5449 3.5449 4.6098 4.6098 4.6641 4.6641 8.6531 8.6531 8.7992 8.7992 9.1109 9.1109 9.3563 9.3563 9.8557 9.8558 k = 0.1452 0.4277-0.0000 ( 6714 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -6.3104 -6.3104 -6.3003 -6.3003 -5.6794 -5.6794 -5.6340 -5.6340 -5.3943 -5.3943 -5.3633 -5.3633 -5.0902 -5.0902 -5.0860 -5.0860 0.3492 0.3492 0.3546 0.3546 0.9002 0.9002 0.9195 0.9195 1.1884 1.1884 1.1991 1.1991 1.8957 1.8957 1.9146 1.9146 2.3381 2.3381 2.4043 2.4043 2.6639 2.6639 2.6704 2.6704 3.5236 3.5236 3.5392 3.5392 4.6388 4.6388 4.6891 4.6891 8.6570 8.6570 8.7865 8.7865 9.1667 9.1667 9.4007 9.4007 9.8061 9.8061 k = 0.1290 0.4277-0.0000 ( 6706 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -6.3110 -6.3110 -6.3017 -6.3017 -5.6807 -5.6807 -5.6402 -5.6402 -5.3908 -5.3908 -5.3634 -5.3634 -5.0851 -5.0851 -5.0811 -5.0811 0.3493 0.3493 0.3542 0.3542 0.9002 0.9002 0.9180 0.9180 1.1891 1.1891 1.1988 1.1988 1.8949 1.8949 1.9119 1.9119 2.3354 2.3354 2.3962 2.3962 2.6598 2.6598 2.6659 2.6659 3.5194 3.5194 3.5339 3.5339 4.6664 4.6664 4.7123 4.7123 8.6593 8.6593 8.7726 8.7726 9.2213 9.2213 9.4442 9.4442 9.7586 9.7586 k = 0.1129 0.4277-0.0000 ( 6720 PWs) bands (ev): -21.5321 -21.5321 -21.5320 -21.5320 -6.3114 -6.3114 -6.3032 -6.3032 -5.6816 -5.6816 -5.6459 -5.6459 -5.3874 -5.3874 -5.3636 -5.3636 -5.0806 -5.0806 -5.0769 -5.0769 0.3493 0.3493 0.3538 0.3538 0.9004 0.9004 0.9165 0.9165 1.1898 1.1898 1.1984 1.1984 1.8942 1.8942 1.9093 1.9093 2.3335 2.3335 2.3883 2.3883 2.6562 2.6562 2.6617 2.6617 3.5158 3.5158 3.5290 3.5290 4.6923 4.6923 4.7335 4.7335 8.6606 8.6606 8.7584 8.7584 9.2724 9.2724 9.4840 9.4840 9.7161 9.7161 k = 0.0968 0.4277-0.0000 ( 6718 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -6.3117 -6.3117 -6.3045 -6.3045 -5.6820 -5.6820 -5.6512 -5.6512 -5.3843 -5.3843 -5.3640 -5.3640 -5.0765 -5.0765 -5.0732 -5.0732 0.3494 0.3494 0.3533 0.3533 0.9008 0.9008 0.9150 0.9150 1.1905 1.1905 1.1979 1.1979 1.8937 1.8937 1.9068 1.9068 2.3325 2.3325 2.3806 2.3806 2.6533 2.6533 2.6581 2.6581 3.5128 3.5128 3.5245 3.5245 4.7162 4.7162 4.7521 4.7521 8.6614 8.6614 8.7443 8.7443 9.3178 9.3178 9.5152 9.5152 9.6832 9.6832 k = 0.0806 0.4277-0.0000 ( 6720 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -6.3119 -6.3119 -6.3058 -6.3058 -5.6819 -5.6819 -5.6562 -5.6562 -5.3813 -5.3813 -5.3645 -5.3645 -5.0730 -5.0730 -5.0702 -5.0702 0.3496 0.3496 0.3529 0.3529 0.9013 0.9013 0.9135 0.9135 1.1912 1.1912 1.1974 1.1974 1.8935 1.8935 1.9044 1.9044 2.3324 2.3324 2.3732 2.3732 2.6508 2.6508 2.6549 2.6549 3.5105 3.5105 3.5205 3.5205 4.7375 4.7375 4.7680 4.7680 8.6623 8.6623 8.7307 8.7307 9.3559 9.3559 9.5296 9.5296 9.6674 9.6674 k = 0.0645 0.4277-0.0000 ( 6740 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3120 -6.3120 -6.3070 -6.3070 -5.6814 -5.6814 -5.6607 -5.6607 -5.3786 -5.3786 -5.3652 -5.3652 -5.0701 -5.0701 -5.0677 -5.0677 0.3497 0.3497 0.3525 0.3525 0.9020 0.9020 0.9120 0.9120 1.1919 1.1919 1.1968 1.1968 1.8934 1.8934 1.9022 1.9022 2.3330 2.3330 2.3663 2.3663 2.6489 2.6489 2.6523 2.6523 3.5088 3.5088 3.5170 3.5170 4.7561 4.7561 4.7809 4.7809 8.6636 8.6636 8.7180 8.7180 9.3856 9.3856 9.5234 9.5234 9.6717 9.6717 k = 0.0484 0.4277-0.0000 ( 6732 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3119 -6.3119 -6.3081 -6.3081 -5.6804 -5.6804 -5.6648 -5.6648 -5.3761 -5.3761 -5.3661 -5.3661 -5.0677 -5.0677 -5.0659 -5.0659 0.3500 0.3500 0.3520 0.3520 0.9029 0.9029 0.9105 0.9105 1.1925 1.1925 1.1962 1.1962 1.8936 1.8936 1.9002 1.9002 2.3345 2.3345 2.3598 2.3598 2.6475 2.6475 2.6501 2.6501 3.5077 3.5077 3.5139 3.5139 4.7717 4.7717 4.7904 4.7904 8.6657 8.6657 8.7064 8.7064 9.4074 9.4074 9.5057 9.5057 9.6861 9.6861 k = 0.0323 0.4277-0.0000 ( 6728 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3116 -6.3116 -6.3091 -6.3091 -5.6789 -5.6789 -5.6685 -5.6685 -5.3738 -5.3738 -5.3672 -5.3672 -5.0659 -5.0659 -5.0646 -5.0646 0.3502 0.3502 0.3516 0.3516 0.9039 0.9039 0.9090 0.9090 1.1931 1.1931 1.1956 1.1956 1.8940 1.8940 1.8985 1.8985 2.3369 2.3369 2.3539 2.3539 2.6467 2.6467 2.6484 2.6484 3.5072 3.5072 3.5115 3.5115 4.7839 4.7839 4.7965 4.7965 8.6690 8.6690 8.6960 8.6960 9.4237 9.4237 9.4857 9.4857 9.7005 9.7005 k = 0.0161 0.4277-0.0000 ( 6724 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3112 -6.3112 -6.3099 -6.3099 -5.6770 -5.6770 -5.6718 -5.6718 -5.3718 -5.3718 -5.3685 -5.3685 -5.0647 -5.0647 -5.0640 -5.0640 0.3505 0.3505 0.3513 0.3513 0.9050 0.9050 0.9076 0.9076 1.1938 1.1938 1.1950 1.1950 1.8947 1.8947 1.8970 1.8970 2.3400 2.3400 2.3486 2.3486 2.6464 2.6464 2.6472 2.6472 3.5074 3.5074 3.5095 3.5095 4.7926 4.7926 4.7989 4.7989 8.6735 8.6735 8.6870 8.6870 9.4375 9.4375 9.4673 9.4673 9.7102 9.7103 k = 0.0000 0.4277-0.0000 ( 6732 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3106 -6.3106 -6.3106 -6.3106 -5.6746 -5.6746 -5.6746 -5.6746 -5.3700 -5.3700 -5.3700 -5.3700 -5.0641 -5.0641 -5.0640 -5.0640 0.3508 0.3508 0.3510 0.3510 0.9061 0.9061 0.9064 0.9064 1.1943 1.1943 1.1945 1.1945 1.8956 1.8956 1.8958 1.8958 2.3438 2.3438 2.3440 2.3440 2.6464 2.6464 2.6467 2.6467 3.5081 3.5081 3.5082 3.5082 4.7976 4.7976 4.7976 4.7976 8.6795 8.6795 8.6795 8.6795 9.4515 9.4515 9.4515 9.4515 9.7141 9.7141 k = 0.0000 0.4277-0.0000 ( 6732 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3106 -6.3106 -6.3106 -6.3106 -5.6746 -5.6746 -5.6746 -5.6746 -5.3700 -5.3700 -5.3700 -5.3700 -5.0641 -5.0641 -5.0640 -5.0640 0.3508 0.3508 0.3510 0.3510 0.9061 0.9061 0.9064 0.9064 1.1943 1.1943 1.1945 1.1945 1.8956 1.8956 1.8958 1.8958 2.3438 2.3438 2.3440 2.3440 2.6464 2.6464 2.6467 2.6467 3.5081 3.5081 3.5082 3.5082 4.7976 4.7976 4.7976 4.7976 8.6795 8.6795 8.6795 8.6795 9.4515 9.4515 9.4515 9.4515 9.7141 9.7141 k = 0.0000 0.4119-0.0000 ( 6724 PWs) bands (ev): -21.5327 -21.5327 -21.5318 -21.5318 -6.3120 -6.3120 -6.3090 -6.3090 -5.6836 -5.6836 -5.6656 -5.6656 -5.3724 -5.3724 -5.3677 -5.3677 -5.0799 -5.0799 -5.0484 -5.0484 0.3179 0.3179 0.3801 0.3801 0.8754 0.8754 0.9329 0.9329 1.1587 1.1587 1.2352 1.2352 1.8637 1.8637 1.9296 1.9296 2.3049 2.3049 2.3885 2.3885 2.6351 2.6351 2.6592 2.6592 3.4948 3.4948 3.5236 3.5236 4.7642 4.7642 4.8314 4.8314 8.6232 8.6232 8.7214 8.7214 9.4147 9.4147 9.4828 9.4828 9.6572 9.6572 k = 0.0000 0.3960-0.0000 ( 6724 PWs) bands (ev): -21.5332 -21.5332 -21.5313 -21.5313 -6.3131 -6.3131 -6.3072 -6.3072 -5.6928 -5.6928 -5.6567 -5.6567 -5.3749 -5.3749 -5.3654 -5.3654 -5.0958 -5.0958 -5.0329 -5.0329 0.2816 0.2816 0.4051 0.4051 0.8409 0.8409 0.9552 0.9552 1.1278 1.1278 1.2808 1.2808 1.8345 1.8345 1.9641 1.9641 2.2713 2.2713 2.4389 2.4389 2.6248 2.6248 2.6729 2.6729 3.4834 3.4834 3.5410 3.5410 4.7313 4.7313 4.8656 4.8656 8.5543 8.5543 8.7470 8.7470 9.3757 9.3757 9.4984 9.4984 9.6098 9.6098 k = 0.0000 0.3802-0.0000 ( 6726 PWs) bands (ev): -21.5336 -21.5336 -21.5308 -21.5308 -6.3140 -6.3140 -6.3051 -6.3051 -5.7020 -5.7020 -5.6478 -5.6478 -5.3774 -5.3774 -5.3632 -5.3632 -5.1116 -5.1116 -5.0178 -5.0178 0.2426 0.2426 0.4258 0.4258 0.8039 0.8039 0.9733 0.9733 1.1011 1.1011 1.3304 1.3304 1.8092 1.8092 1.9982 1.9982 2.2427 2.2427 2.4950 2.4950 2.6159 2.6159 2.6878 2.6878 3.4740 3.4740 3.5605 3.5605 4.6989 4.6989 4.9001 4.9001 8.4750 8.4750 8.7557 8.7557 9.3355 9.3355 9.4750 9.4750 9.5951 9.5951 k = 0.0000 0.3644-0.0000 ( 6725 PWs) bands (ev): -21.5341 -21.5341 -21.5304 -21.5304 -6.3147 -6.3147 -6.3027 -6.3027 -5.7113 -5.7113 -5.6390 -5.6390 -5.3798 -5.3798 -5.3612 -5.3612 -5.1274 -5.1274 -5.0031 -5.0031 0.2012 0.2012 0.4418 0.4418 0.7652 0.7652 0.9876 0.9876 1.0778 1.0778 1.3831 1.3831 1.7888 1.7888 2.0308 2.0308 2.2192 2.2192 2.5562 2.5562 2.6088 2.6088 2.7041 2.7041 3.4666 3.4666 3.5821 3.5821 4.6670 4.6670 4.9349 4.9349 8.3871 8.3871 8.7475 8.7475 9.2940 9.2940 9.4204 9.4204 9.6039 9.6039 k = 0.0000 0.3485-0.0000 ( 6727 PWs) bands (ev): -21.5346 -21.5346 -21.5299 -21.5299 -6.3151 -6.3151 -6.3000 -6.3000 -5.7208 -5.7208 -5.6301 -5.6301 -5.3822 -5.3822 -5.3593 -5.3593 -5.1430 -5.1430 -4.9888 -4.9888 0.1581 0.1581 0.4530 0.4530 0.7260 0.7260 0.9983 0.9983 1.0571 1.0571 1.4378 1.4378 1.7739 1.7739 2.0607 2.0607 2.2010 2.2010 2.5998 2.5998 2.6251 2.6251 2.7230 2.7230 3.4612 3.4612 3.6058 3.6058 4.6357 4.6357 4.9699 4.9699 8.2924 8.2924 8.7237 8.7237 9.2506 9.2506 9.3569 9.3569 9.6109 9.6109 k = 0.0000 0.3327-0.0000 ( 6735 PWs) bands (ev): -21.5350 -21.5350 -21.5295 -21.5295 -6.3154 -6.3154 -6.2971 -6.2971 -5.7303 -5.7303 -5.6213 -5.6213 -5.3846 -5.3846 -5.3575 -5.3575 -5.1583 -5.1583 -4.9750 -4.9750 0.1137 0.1137 0.4596 0.4596 0.6873 0.6873 1.0055 1.0055 1.0388 1.0388 1.4932 1.4932 1.7650 1.7650 2.0860 2.0860 2.1893 2.1893 2.5969 2.5969 2.6881 2.6881 2.7495 2.7495 3.4577 3.4577 3.6318 3.6318 4.6050 4.6050 5.0051 5.0051 8.1924 8.1924 8.6865 8.6865 9.2045 9.2045 9.2911 9.2911 9.5914 9.5914 k = 0.0000 0.3168-0.0000 ( 6729 PWs) bands (ev): -21.5354 -21.5354 -21.5291 -21.5291 -6.3155 -6.3155 -6.2940 -6.2940 -5.7400 -5.7400 -5.6125 -5.6125 -5.3869 -5.3869 -5.3560 -5.3560 -5.1733 -5.1733 -4.9619 -4.9619 0.0686 0.0686 0.4614 0.4614 0.6497 0.6497 1.0064 1.0064 1.0254 1.0254 1.5479 1.5479 1.7627 1.7627 2.1044 2.1044 2.1860 2.1860 2.5945 2.5945 2.7325 2.7325 2.8016 2.8016 3.4562 3.4562 3.6604 3.6604 4.5750 4.5750 5.0403 5.0403 8.0883 8.0883 8.6379 8.6379 9.1554 9.1554 9.2251 9.2251 9.4957 9.4957 k = 0.0000 0.3010-0.0000 ( 6725 PWs) bands (ev): -21.5359 -21.5359 -21.5286 -21.5286 -6.3155 -6.3155 -6.2906 -6.2906 -5.7499 -5.7499 -5.6037 -5.6037 -5.3892 -5.3892 -5.3546 -5.3546 -5.1878 -5.1878 -4.9493 -4.9493 0.0233 0.0233 0.4587 0.4587 0.6141 0.6141 0.9950 0.9950 1.0230 1.0230 1.5998 1.5998 1.7678 1.7678 2.1145 2.1145 2.1924 2.1924 2.5939 2.5939 2.7580 2.7580 2.8777 2.8777 3.4564 3.4564 3.6916 3.6916 4.5457 4.5457 5.0755 5.0755 7.9812 7.9812 8.5800 8.5800 9.1035 9.1035 9.1597 9.1597 9.3610 9.3610 k = 0.0000 0.2852-0.0000 ( 6729 PWs) bands (ev): -21.5363 -21.5363 -21.5282 -21.5282 -6.3154 -6.3154 -6.2869 -6.2869 -5.7598 -5.7598 -5.5949 -5.5949 -5.3913 -5.3913 -5.3535 -5.3535 -5.2019 -5.2019 -4.9374 -4.9374 -0.0219 -0.0219 0.4514 0.4514 0.5811 0.5811 0.9784 0.9784 1.0245 1.0245 1.6460 1.6460 1.7813 1.7813 2.1193 2.1193 2.2055 2.2055 2.5954 2.5954 2.7791 2.7791 2.9625 2.9625 3.4582 3.4582 3.7258 3.7258 4.5172 4.5172 5.1106 5.1106 7.8721 7.8721 8.5146 8.5146 9.0496 9.0496 9.0954 9.0954 9.2182 9.2182 k = 0.0000 0.2693-0.0000 ( 6727 PWs) bands (ev): -21.5367 -21.5367 -21.5278 -21.5278 -6.3151 -6.3151 -6.2831 -6.2831 -5.7698 -5.7698 -5.5862 -5.5862 -5.3932 -5.3932 -5.3526 -5.3526 -5.2154 -5.2154 -4.9262 -4.9262 -0.0665 -0.0665 0.4396 0.4396 0.5514 0.5514 0.9610 0.9610 1.0261 1.0261 1.6838 1.6838 1.8040 1.8040 2.1241 2.1241 2.2207 2.2207 2.5988 2.5988 2.7994 2.7994 3.0511 3.0511 3.4615 3.4615 3.7634 3.7634 4.4897 4.4897 5.1455 5.1455 7.7618 7.7618 8.4429 8.4429 8.9947 8.9947 9.0323 9.0323 9.0738 9.0738 k = 0.0000 0.2535-0.0000 ( 6721 PWs) bands (ev): -21.5371 -21.5371 -21.5275 -21.5275 -6.3147 -6.3147 -6.2790 -6.2790 -5.7799 -5.7799 -5.5775 -5.5775 -5.3950 -5.3950 -5.3520 -5.3520 -5.2283 -5.2283 -4.9157 -4.9157 -0.1101 -0.1101 0.4237 0.4237 0.5252 0.5252 0.9435 0.9435 1.0273 1.0273 1.7125 1.7125 1.8342 1.8342 2.1323 2.1323 2.2353 2.2353 2.6043 2.6043 2.8198 2.8198 3.1418 3.1418 3.4660 3.4660 3.8049 3.8049 4.4631 4.4631 5.1800 5.1800 7.6509 7.6509 8.3662 8.3662 8.9286 8.9286 8.9407 8.9407 8.9717 8.9717 k = 0.0000 0.2376-0.0000 ( 6733 PWs) bands (ev): -21.5375 -21.5375 -21.5271 -21.5271 -6.3143 -6.3143 -6.2747 -6.2747 -5.7901 -5.7901 -5.5690 -5.5690 -5.3966 -5.3966 -5.3516 -5.3516 -5.2406 -5.2406 -4.9060 -4.9060 -0.1524 -0.1524 0.4045 0.4045 0.5025 0.5025 0.9261 0.9261 1.0281 1.0281 1.7349 1.7349 1.8666 1.8666 2.1465 2.1465 2.2484 2.2484 2.6115 2.6115 2.8406 2.8406 3.2328 3.2328 3.4716 3.4716 3.8508 3.8508 4.4376 4.4376 5.2140 5.2140 7.5402 7.5402 8.2855 8.2855 8.7870 8.7870 8.8867 8.8867 8.9125 8.9125 k = 0.0000 0.2218-0.0000 ( 6729 PWs) bands (ev): -21.5378 -21.5378 -21.5268 -21.5268 -6.3138 -6.3138 -6.2703 -6.2703 -5.8002 -5.8002 -5.5605 -5.5605 -5.3980 -5.3980 -5.3515 -5.3515 -5.2522 -5.2522 -4.8970 -4.8970 -0.1932 -0.1932 0.3830 0.3830 0.4826 0.4826 0.9091 0.9091 1.0285 1.0285 1.7537 1.7537 1.8958 1.8958 2.1681 2.1681 2.2594 2.2594 2.6203 2.6203 2.8619 2.8619 3.3221 3.3221 3.4784 3.4784 3.9018 3.9018 4.4135 4.4135 5.2474 5.2474 7.4303 7.4303 8.2018 8.2018 8.6474 8.6474 8.8350 8.8350 8.8561 8.8561 k = 0.0000 0.2059-0.0000 ( 6713 PWs) bands (ev): -21.5382 -21.5382 -21.5264 -21.5264 -6.3133 -6.3133 -6.2657 -6.2657 -5.8102 -5.8102 -5.5523 -5.5523 -5.3991 -5.3991 -5.3517 -5.3517 -5.2631 -5.2631 -4.8888 -4.8888 -0.2321 -0.2321 0.3606 0.3606 0.4648 0.4648 0.8927 0.8927 1.0287 1.0287 1.7707 1.7707 1.9193 1.9193 2.1975 2.1975 2.2685 2.2685 2.6302 2.6302 2.8837 2.8837 3.4062 3.4062 3.4882 3.4882 3.9584 3.9584 4.3908 4.3908 5.2800 5.2800 7.3215 7.3215 8.1161 8.1161 8.5114 8.5114 8.7856 8.7856 8.8025 8.8025 k = 0.0000 0.1901-0.0000 ( 6709 PWs) bands (ev): -21.5385 -21.5385 -21.5261 -21.5261 -6.3127 -6.3127 -6.2611 -6.2611 -5.8201 -5.8201 -5.5442 -5.5442 -5.3999 -5.3999 -5.3522 -5.3522 -5.2733 -5.2733 -4.8814 -4.8814 -0.2689 -0.2689 0.3383 0.3383 0.4484 0.4484 0.8771 0.8771 1.0287 1.0287 1.7864 1.7864 1.9366 1.9366 2.2332 2.2332 2.2758 2.2758 2.6410 2.6410 2.9060 2.9060 3.4663 3.4663 3.5177 3.5177 4.0212 4.0212 4.3698 4.3698 5.3116 5.3116 7.2143 7.2143 8.0293 8.0293 8.3799 8.3799 8.7391 8.7391 8.7523 8.7523 k = 0.0000 0.1743-0.0000 ( 6717 PWs) bands (ev): -21.5388 -21.5388 -21.5259 -21.5259 -6.3121 -6.3121 -6.2564 -6.2564 -5.8298 -5.8298 -5.5365 -5.5365 -5.4004 -5.4004 -5.3530 -5.3530 -5.2828 -5.2828 -4.8746 -4.8746 -0.3034 -0.3034 0.3167 0.3167 0.4332 0.4332 0.8623 0.8623 1.0286 1.0286 1.8011 1.8011 1.9488 1.9488 2.2725 2.2725 2.2822 2.2822 2.6522 2.6522 2.9289 2.9289 3.4832 3.4832 3.5842 3.5842 4.0904 4.0904 4.3508 4.3508 5.3420 5.3420 7.1093 7.1093 7.9424 7.9424 8.2537 8.2537 8.6956 8.6956 8.7055 8.7055 k = 0.0000 0.1584-0.0000 ( 6709 PWs) bands (ev): -21.5391 -21.5391 -21.5256 -21.5256 -6.3116 -6.3116 -6.2517 -6.2517 -5.8392 -5.8392 -5.5291 -5.5291 -5.4005 -5.4005 -5.3541 -5.3541 -5.2915 -5.2915 -4.8686 -4.8686 -0.3355 -0.3355 0.2964 0.2964 0.4191 0.4191 0.8485 0.8485 1.0283 1.0283 1.8146 1.8146 1.9574 1.9574 2.2854 2.2854 2.3154 2.3154 2.6635 2.6635 2.9521 2.9521 3.4896 3.4896 3.6539 3.6539 4.1651 4.1651 4.3345 4.3345 5.3712 5.3712 7.0067 7.0067 7.8564 7.8564 8.1340 8.1340 8.6554 8.6554 8.6625 8.6625 k = 0.0000 0.1426-0.0000 ( 6713 PWs) bands (ev): -21.5393 -21.5393 -21.5254 -21.5254 -6.3110 -6.3110 -6.2471 -6.2471 -5.8482 -5.8482 -5.5222 -5.5222 -5.4002 -5.4002 -5.3555 -5.3555 -5.2995 -5.2995 -4.8633 -4.8633 -0.3649 -0.3649 0.2776 0.2776 0.4060 0.4060 0.8358 0.8358 1.0280 1.0280 1.8269 1.8269 1.9635 1.9635 2.2889 2.2889 2.3570 2.3570 2.6746 2.6746 2.9755 2.9755 3.4932 3.4932 3.7178 3.7178 4.2420 4.2420 4.3237 4.3237 5.3988 5.3988 6.9071 6.9071 7.7722 7.7722 8.0219 8.0219 8.6185 8.6185 8.6235 8.6235 k = 0.0000 0.1267-0.0000 ( 6709 PWs) bands (ev): -21.5396 -21.5396 -21.5251 -21.5251 -6.3105 -6.3105 -6.2427 -6.2427 -5.8567 -5.8567 -5.5158 -5.5158 -5.3995 -5.3995 -5.3571 -5.3571 -5.3068 -5.3068 -4.8586 -4.8586 -0.3916 -0.3916 0.2605 0.2605 0.3940 0.3940 0.8243 0.8243 1.0276 1.0276 1.8380 1.8380 1.9681 1.9681 2.2914 2.2914 2.3970 2.3970 2.6852 2.6852 2.9990 2.9990 3.4950 3.4950 3.7748 3.7748 4.2894 4.2894 4.3485 4.3485 5.4249 5.4249 6.8110 6.8110 7.6911 7.6911 7.9186 7.9186 8.5847 8.5847 8.5888 8.5888 k = 0.0000 0.1109-0.0000 ( 6709 PWs) bands (ev): -21.5398 -21.5398 -21.5250 -21.5250 -6.3100 -6.3100 -6.2385 -6.2385 -5.8646 -5.8646 -5.5100 -5.5100 -5.3983 -5.3983 -5.3589 -5.3589 -5.3133 -5.3133 -4.8546 -4.8546 -0.4153 -0.4153 0.2453 0.2453 0.3831 0.3831 0.8140 0.8140 1.0272 1.0272 1.8478 1.8478 1.9715 1.9715 2.2932 2.2932 2.4342 2.4342 2.6950 2.6950 3.0221 3.0221 3.4953 3.4953 3.8245 3.8245 4.2876 4.2876 4.4265 4.4265 5.4491 5.4491 6.7189 6.7189 7.6139 7.6139 7.8253 7.8253 8.5540 8.5540 8.5588 8.5588 k = 0.0000 0.0951-0.0000 ( 6701 PWs) bands (ev): -21.5400 -21.5400 -21.5248 -21.5248 -6.3096 -6.3096 -6.2346 -6.2346 -5.8717 -5.8717 -5.5049 -5.5049 -5.3967 -5.3967 -5.3610 -5.3610 -5.3191 -5.3191 -4.8512 -4.8512 -0.4361 -0.4361 0.2320 0.2320 0.3735 0.3735 0.8051 0.8051 1.0268 1.0268 1.8562 1.8562 1.9743 1.9743 2.2946 2.2946 2.4677 2.4677 2.7040 2.7040 3.0445 3.0445 3.4941 3.4941 3.8669 3.8669 4.2817 4.2817 4.5102 4.5102 5.4715 5.4715 6.6317 6.6317 7.5423 7.5423 7.7430 7.7430 8.5268 8.5268 8.5331 8.5331 k = 0.0000 0.0792-0.0000 ( 6705 PWs) bands (ev): -21.5401 -21.5401 -21.5246 -21.5246 -6.3092 -6.3092 -6.2311 -6.2311 -5.8780 -5.8780 -5.5005 -5.5005 -5.3946 -5.3946 -5.3632 -5.3632 -5.3242 -5.3242 -4.8484 -4.8484 -0.4538 -0.4538 0.2206 0.2206 0.3652 0.3652 0.7974 0.7974 1.0264 1.0264 1.8632 1.8632 1.9765 1.9765 2.2955 2.2955 2.4969 2.4969 2.7120 2.7120 3.0655 3.0655 3.4917 3.4917 3.9020 3.9020 4.2773 4.2773 4.5910 4.5910 5.4919 5.4919 6.5509 6.5509 7.4777 7.4777 7.6725 7.6725 8.5036 8.5036 8.5115 8.5115 k = 0.0000 0.0634-0.0000 ( 6705 PWs) bands (ev): -21.5402 -21.5402 -21.5245 -21.5245 -6.3089 -6.3089 -6.2281 -6.2281 -5.8833 -5.8833 -5.4968 -5.4968 -5.3921 -5.3921 -5.3657 -5.3657 -5.3285 -5.3285 -4.8462 -4.8462 -0.4684 -0.4684 0.2113 0.2113 0.3583 0.3583 0.7911 0.7911 1.0261 1.0261 1.8689 1.8689 1.9782 1.9782 2.2962 2.2962 2.5213 2.5213 2.7187 2.7187 3.0845 3.0845 3.4886 3.4886 3.9300 3.9300 4.2747 4.2747 4.6647 4.6647 5.5099 5.5099 6.4781 6.4781 7.4218 7.4218 7.6143 7.6143 8.4844 8.4844 8.4938 8.4938 k = 0.0000 0.0475-0.0000 ( 6717 PWs) bands (ev): -21.5403 -21.5403 -21.5244 -21.5244 -6.3087 -6.3087 -6.2256 -6.2256 -5.8876 -5.8876 -5.4940 -5.4940 -5.3894 -5.3894 -5.3684 -5.3684 -5.3319 -5.3319 -4.8444 -4.8444 -0.4799 -0.4799 0.2041 0.2041 0.3529 0.3529 0.7862 0.7862 1.0258 1.0258 1.8733 1.8733 1.9795 1.9795 2.2966 2.2966 2.5404 2.5404 2.7241 2.7241 3.1006 3.1006 3.4851 3.4851 3.9511 3.9511 4.2738 4.2738 4.7277 4.7277 5.5254 5.5254 6.4161 6.4161 7.3764 7.3764 7.5686 7.5686 8.4694 8.4694 8.4800 8.4800 k = 0.0000 0.0317-0.0000 ( 6713 PWs) bands (ev): -21.5404 -21.5404 -21.5244 -21.5244 -6.3085 -6.3085 -6.2238 -6.2238 -5.8908 -5.8908 -5.4920 -5.4920 -5.3865 -5.3865 -5.3711 -5.3711 -5.3344 -5.3344 -4.8432 -4.8432 -0.4880 -0.4880 0.1989 0.1989 0.3490 0.3490 0.7826 0.7826 1.0256 1.0256 1.8764 1.8764 1.9805 1.9805 2.2969 2.2969 2.5542 2.5542 2.7281 2.7281 3.1130 3.1130 3.4820 3.4820 3.9658 3.9658 4.2738 4.2738 4.7763 4.7763 5.5375 5.5375 6.3680 6.3680 7.3428 7.3428 7.5359 7.5359 8.4587 8.4587 8.4702 8.4702 k = 0.0000 0.0158-0.0000 ( 6721 PWs) bands (ev): -21.5404 -21.5404 -21.5243 -21.5243 -6.3084 -6.3084 -6.2227 -6.2227 -5.8927 -5.8927 -5.4908 -5.4908 -5.3838 -5.3838 -5.3737 -5.3737 -5.3360 -5.3360 -4.8425 -4.8425 -0.4930 -0.4930 0.1957 0.1957 0.3466 0.3466 0.7805 0.7805 1.0255 1.0255 1.8783 1.8783 1.9811 1.9811 2.2971 2.2971 2.5625 2.5625 2.7306 2.7306 3.1208 3.1208 3.4799 3.4799 3.9743 3.9743 4.2741 4.2741 4.8070 4.8070 5.5453 5.5453 6.3372 6.3372 7.3222 7.3222 7.5162 7.5162 8.4522 8.4522 8.4643 8.4643 k = 0.0000 0.0000 0.0000 ( 6721 PWs) bands (ev): -21.5405 -21.5405 -21.5243 -21.5243 -6.3084 -6.3084 -6.2224 -6.2224 -5.8933 -5.8933 -5.4904 -5.4904 -5.3824 -5.3824 -5.3750 -5.3750 -5.3365 -5.3365 -4.8422 -4.8422 -0.4946 -0.4946 0.1947 0.1947 0.3458 0.3458 0.7798 0.7798 1.0254 1.0254 1.8789 1.8789 1.9813 1.9813 2.2971 2.2971 2.5653 2.5653 2.7314 2.7314 3.1235 3.1235 3.4791 3.4791 3.9772 3.9772 4.2743 4.2743 4.8175 4.8175 5.5481 5.5481 6.3266 6.3266 7.3153 7.3153 7.5096 7.5096 8.4500 8.4500 8.4623 8.4623 k = 0.0000 0.0000 0.0000 ( 6721 PWs) bands (ev): -21.5405 -21.5405 -21.5243 -21.5243 -6.3084 -6.3084 -6.2224 -6.2224 -5.8933 -5.8933 -5.4904 -5.4904 -5.3824 -5.3824 -5.3750 -5.3750 -5.3365 -5.3365 -4.8422 -4.8422 -0.4946 -0.4946 0.1947 0.1947 0.3458 0.3458 0.7798 0.7798 1.0254 1.0254 1.8789 1.8789 1.9813 1.9813 2.2971 2.2971 2.5653 2.5653 2.7314 2.7314 3.1235 3.1235 3.4791 3.4791 3.9772 3.9772 4.2743 4.2743 4.8175 4.8175 5.5481 5.5481 6.3266 6.3266 7.3153 7.3153 7.5096 7.5096 8.4500 8.4500 8.4623 8.4623 k = 0.0000 0.0000 0.0160 ( 6721 PWs) bands (ev): -21.5405 -21.5405 -21.5243 -21.5243 -6.3083 -6.3083 -6.2226 -6.2226 -5.8927 -5.8927 -5.4905 -5.4905 -5.3830 -5.3830 -5.3741 -5.3741 -5.3365 -5.3365 -4.8432 -4.8432 -0.4935 -0.4935 0.1951 0.1951 0.3464 0.3464 0.7801 0.7801 1.0255 1.0255 1.8789 1.8789 1.9810 1.9810 2.2971 2.2971 2.5652 2.5652 2.7314 2.7314 3.1235 3.1235 3.4757 3.4757 3.9722 3.9722 4.2723 4.2723 4.8222 4.8222 5.5462 5.5462 6.3276 6.3276 7.3228 7.3228 7.5159 7.5159 8.4542 8.4542 8.4636 8.4636 k = 0.0000 0.0000 0.0320 ( 6722 PWs) bands (ev): -21.5404 -21.5404 -21.5243 -21.5243 -6.3081 -6.3081 -6.2232 -6.2232 -5.8909 -5.8909 -5.4911 -5.4911 -5.3842 -5.3842 -5.3720 -5.3720 -5.3365 -5.3365 -4.8460 -4.8460 -0.4903 -0.4903 0.1961 0.1961 0.3483 0.3483 0.7809 0.7809 1.0255 1.0255 1.8790 1.8790 1.9803 1.9803 2.2970 2.2970 2.5650 2.5650 2.7312 2.7312 3.1234 3.1234 3.4654 3.4654 3.9576 3.9576 4.2666 4.2666 4.8355 4.8355 5.5408 5.5408 6.3310 6.3310 7.3448 7.3448 7.5349 7.5349 8.4664 8.4664 8.4679 8.4679 k = 0.0000 0.0000 0.0481 ( 6708 PWs) bands (ev): -21.5404 -21.5404 -21.5244 -21.5244 -6.3077 -6.3077 -6.2243 -6.2243 -5.8879 -5.8879 -5.4920 -5.4920 -5.3855 -5.3855 -5.3693 -5.3693 -5.3364 -5.3364 -4.8507 -4.8507 -0.4851 -0.4851 0.1979 0.1979 0.3514 0.3514 0.7822 0.7822 1.0257 1.0257 1.8791 1.8791 1.9792 1.9792 2.2968 2.2968 2.5647 2.5647 2.7309 2.7309 3.1234 3.1234 3.4482 3.4482 3.9337 3.9337 4.2590 4.2590 4.8557 4.8557 5.5319 5.5319 6.3373 6.3373 7.3801 7.3801 7.5667 7.5667 8.4745 8.4745 8.4869 8.4869 k = 0.0000 0.0000 0.0641 ( 6730 PWs) bands (ev): -21.5404 -21.5404 -21.5244 -21.5244 -6.3073 -6.3073 -6.2258 -6.2258 -5.8837 -5.8837 -5.4933 -5.4933 -5.3865 -5.3865 -5.3663 -5.3663 -5.3363 -5.3363 -4.8572 -4.8572 -0.4779 -0.4779 0.2002 0.2002 0.3557 0.3557 0.7841 0.7841 1.0258 1.0258 1.8792 1.8792 1.9777 1.9777 2.2966 2.2966 2.5642 2.5642 2.7305 2.7305 3.1233 3.1233 3.4245 3.4245 3.9013 3.9013 4.2511 4.2511 4.8807 4.8807 5.5199 5.5199 6.3473 6.3473 7.4266 7.4266 7.6115 7.6115 8.4842 8.4842 8.5150 8.5150 k = 0.0000 0.0000 0.0801 ( 6726 PWs) bands (ev): -21.5403 -21.5403 -21.5245 -21.5245 -6.3067 -6.3067 -6.2276 -6.2276 -5.8785 -5.8785 -5.4947 -5.4947 -5.3874 -5.3874 -5.3633 -5.3633 -5.3360 -5.3360 -4.8654 -4.8654 -0.4690 -0.4690 0.2032 0.2032 0.3612 0.3612 0.7866 0.7866 1.0260 1.0260 1.8795 1.8795 1.9758 1.9758 2.2963 2.2963 2.5637 2.5637 2.7300 2.7300 3.1232 3.1232 3.3943 3.3943 3.8619 3.8619 4.2442 4.2442 4.9082 4.9082 5.5052 5.5052 6.3619 6.3619 7.4826 7.4826 7.6689 7.6689 8.4972 8.4972 8.5503 8.5503 k = 0.0000 0.0000 0.0961 ( 6732 PWs) bands (ev): -21.5403 -21.5403 -21.5245 -21.5245 -6.3060 -6.3060 -6.2297 -6.2297 -5.8724 -5.8724 -5.4964 -5.4964 -5.3879 -5.3879 -5.3604 -5.3604 -5.3354 -5.3354 -4.8751 -4.8751 -0.4586 -0.4586 0.2066 0.2066 0.3680 0.3680 0.7897 0.7897 1.0263 1.0263 1.8797 1.8797 1.9736 1.9736 2.2960 2.2960 2.5630 2.5630 2.7294 2.7294 3.1231 3.1231 3.3580 3.3580 3.8170 3.8170 4.2390 4.2390 4.9365 4.9365 5.4885 5.4885 6.3815 6.3815 7.5464 7.5464 7.7380 7.7380 8.5137 8.5137 8.5924 8.5924 k = 0.0000 0.0000 0.1121 ( 6738 PWs) bands (ev): -21.5402 -21.5402 -21.5246 -21.5246 -6.3052 -6.3052 -6.2321 -6.2321 -5.8654 -5.8654 -5.4983 -5.4983 -5.3882 -5.3882 -5.3578 -5.3578 -5.3344 -5.3344 -4.8862 -4.8862 -0.4470 -0.4470 0.2104 0.2104 0.3759 0.3759 0.7936 0.7936 1.0266 1.0266 1.8801 1.8801 1.9713 1.9713 2.2957 2.2957 2.5624 2.5624 2.7288 2.7288 3.1229 3.1229 3.3162 3.3162 3.7682 3.7682 4.2360 4.2360 4.9638 4.9638 5.4703 5.4703 6.4067 6.4067 7.6173 7.6173 7.8169 7.8169 8.5344 8.5344 8.6406 8.6406 k = 0.0000 0.0000 0.1281 ( 6728 PWs) bands (ev): -21.5401 -21.5401 -21.5247 -21.5247 -6.3043 -6.3043 -6.2346 -6.2346 -5.8577 -5.8577 -5.5002 -5.5002 -5.3883 -5.3883 -5.3558 -5.3558 -5.3327 -5.3327 -4.8986 -4.8986 -0.4344 -0.4344 0.2145 0.2145 0.3850 0.3850 0.7984 0.7984 1.0269 1.0269 1.8805 1.8805 1.9688 1.9688 2.2954 2.2954 2.5617 2.5617 2.7282 2.7282 3.1225 3.1225 3.2697 3.2697 3.7170 3.7170 4.2352 4.2352 4.9891 4.9891 5.4515 5.4515 6.4375 6.4375 7.6947 7.6947 7.9031 7.9031 8.5602 8.5602 8.6942 8.6942 k = 0.0000 0.0000 0.1442 ( 6732 PWs) bands (ev): -21.5400 -21.5400 -21.5247 -21.5247 -6.3033 -6.3033 -6.2372 -6.2372 -5.8494 -5.8494 -5.5022 -5.5022 -5.3881 -5.3881 -5.3544 -5.3544 -5.3303 -5.3303 -4.9120 -4.9120 -0.4212 -0.4212 0.2188 0.2188 0.3949 0.3949 0.8039 0.8039 1.0273 1.0273 1.8810 1.8810 1.9663 1.9663 2.2951 2.2951 2.5611 2.5611 2.7276 2.7276 3.1217 3.1217 3.2194 3.2194 3.6648 3.6648 4.2366 4.2366 5.0112 5.0112 5.4328 5.4328 6.4737 6.4737 7.7784 7.7784 7.9931 7.9931 8.5926 8.5926 8.7526 8.7526 k = 0.0000 0.0000 0.1602 ( 6728 PWs) bands (ev): -21.5400 -21.5400 -21.5248 -21.5248 -6.3023 -6.3023 -6.2400 -6.2400 -5.8407 -5.8407 -5.5042 -5.5042 -5.3877 -5.3877 -5.3537 -5.3537 -5.3273 -5.3273 -4.9263 -4.9263 -0.4076 -0.4076 0.2233 0.2233 0.4057 0.4057 0.8105 0.8105 1.0277 1.0277 1.8815 1.8815 1.9640 1.9640 2.2949 2.2949 2.5606 2.5606 2.7269 2.7269 3.1190 3.1190 3.1676 3.1676 3.6129 3.6129 4.2399 4.2399 5.0293 5.0293 5.4152 5.4152 6.5150 6.5150 7.8683 7.8683 8.0831 8.0831 8.6336 8.6336 8.8148 8.8148 k = 0.0000 0.0000 0.1762 ( 6722 PWs) bands (ev): -21.5399 -21.5399 -21.5249 -21.5249 -6.3012 -6.3012 -6.2427 -6.2427 -5.8316 -5.8316 -5.5061 -5.5061 -5.3872 -5.3872 -5.3536 -5.3536 -5.3236 -5.3236 -4.9412 -4.9412 -0.3940 -0.3940 0.2277 0.2277 0.4170 0.4170 0.8180 0.8180 1.0281 1.0281 1.8821 1.8821 1.9618 1.9618 2.2947 2.2947 2.5601 2.5601 2.7263 2.7263 3.0975 3.0975 3.1323 3.1323 3.5621 3.5621 4.2448 4.2448 5.0427 5.0427 5.3995 5.3995 6.5607 6.5607 7.9641 7.9641 8.1687 8.1687 8.6856 8.6856 8.8801 8.8801 k = 0.0000 0.0000 0.1922 ( 6720 PWs) bands (ev): -21.5398 -21.5398 -21.5250 -21.5250 -6.3001 -6.3001 -6.2454 -6.2454 -5.8225 -5.8225 -5.5079 -5.5079 -5.3864 -5.3864 -5.3539 -5.3539 -5.3197 -5.3197 -4.9565 -4.9565 -0.3807 -0.3807 0.2321 0.2321 0.4286 0.4286 0.8265 0.8265 1.0284 1.0284 1.8828 1.8828 1.9599 1.9599 2.2945 2.2945 2.5599 2.5599 2.7257 2.7257 3.0449 3.0449 3.1268 3.1268 3.5134 3.5134 4.2512 4.2512 5.0511 5.0511 5.3864 5.3864 6.6100 6.6100 8.0652 8.0652 8.2457 8.2457 8.7509 8.7509 8.9474 8.9474 k = 0.0000 0.0000 0.2082 ( 6728 PWs) bands (ev): -21.5397 -21.5397 -21.5251 -21.5251 -6.2990 -6.2990 -6.2481 -6.2481 -5.8134 -5.8134 -5.5096 -5.5096 -5.3856 -5.3856 -5.3544 -5.3544 -5.3154 -5.3154 -4.9718 -4.9718 -0.3679 -0.3679 0.2363 0.2363 0.4402 0.4402 0.8359 0.8359 1.0288 1.0288 1.8836 1.8836 1.9584 1.9584 2.2944 2.2944 2.5598 2.5598 2.7251 2.7251 2.9876 2.9876 3.1257 3.1257 3.4675 3.4675 4.2587 4.2587 5.0544 5.0544 5.3765 5.3765 6.6620 6.6620 8.1709 8.1709 8.3115 8.3115 8.8298 8.8298 9.0157 9.0157 k = 0.0000 0.0000 0.2243 ( 6732 PWs) bands (ev): -21.5396 -21.5396 -21.5252 -21.5252 -6.2979 -6.2979 -6.2506 -6.2506 -5.8045 -5.8045 -5.5112 -5.5112 -5.3846 -5.3846 -5.3552 -5.3552 -5.3111 -5.3111 -4.9870 -4.9870 -0.3559 -0.3559 0.2404 0.2404 0.4514 0.4514 0.8461 0.8461 1.0292 1.0292 1.8843 1.8843 1.9573 1.9573 2.2943 2.2943 2.5601 2.5601 2.7246 2.7246 2.9305 2.9305 3.1253 3.1253 3.4249 3.4249 4.2669 4.2669 5.0531 5.0531 5.3698 5.3698 6.7154 6.7154 8.2797 8.2797 8.3664 8.3664 8.9199 8.9199 9.0840 9.0840 k = 0.0000 0.0000 0.2403 ( 6722 PWs) bands (ev): -21.5395 -21.5395 -21.5252 -21.5252 -6.2968 -6.2968 -6.2530 -6.2530 -5.7961 -5.7961 -5.5125 -5.5125 -5.3836 -5.3836 -5.3560 -5.3560 -5.3068 -5.3068 -5.0017 -5.0017 -0.3449 -0.3449 0.2441 0.2441 0.4620 0.4620 0.8569 0.8569 1.0296 1.0296 1.8852 1.8852 1.9567 1.9567 2.2943 2.2943 2.5607 2.5607 2.7241 2.7241 2.8752 2.8752 3.1250 3.1250 3.3861 3.3861 4.2756 4.2756 5.0480 5.0480 5.3658 5.3658 6.7689 6.7689 8.3839 8.3839 8.4186 8.4186 9.0155 9.0155 9.1511 9.1511 k = 0.0000 0.0000 0.2563 ( 6720 PWs) bands (ev): -21.5395 -21.5395 -21.5253 -21.5253 -6.2957 -6.2957 -6.2552 -6.2552 -5.7883 -5.7883 -5.5137 -5.5137 -5.3826 -5.3826 -5.3570 -5.3570 -5.3026 -5.3026 -5.0155 -5.0155 -0.3350 -0.3350 0.2475 0.2475 0.4717 0.4717 0.8678 0.8678 1.0299 1.0299 1.8860 1.8860 1.9566 1.9566 2.2943 2.2943 2.5619 2.5619 2.7236 2.7236 2.8229 2.8229 3.1249 3.1249 3.3517 3.3517 4.2842 4.2842 5.0403 5.0403 5.3641 5.3641 6.8208 6.8208 8.4375 8.4375 8.5143 8.5143 9.1072 9.1072 9.2164 9.2164 k = 0.0000 0.0000 0.2723 ( 6730 PWs) bands (ev): -21.5394 -21.5394 -21.5254 -21.5254 -6.2947 -6.2947 -6.2572 -6.2572 -5.7813 -5.7813 -5.5146 -5.5146 -5.3815 -5.3815 -5.3579 -5.3579 -5.2986 -5.2986 -5.0281 -5.0281 -0.3265 -0.3265 0.2505 0.2505 0.4802 0.4802 0.8785 0.8785 1.0302 1.0302 1.8868 1.8868 1.9570 1.9570 2.2944 2.2944 2.5637 2.5637 2.7231 2.7231 2.7750 2.7750 3.1248 3.1248 3.3219 3.3219 4.2925 4.2925 5.0312 5.0312 5.3640 5.3640 6.8696 6.8696 8.4678 8.4678 8.6257 8.6257 9.1812 9.1812 9.2789 9.2789 k = 0.0000 0.0000 0.2883 ( 6730 PWs) bands (ev): -21.5393 -21.5393 -21.5254 -21.5254 -6.2938 -6.2938 -6.2589 -6.2589 -5.7753 -5.7753 -5.5154 -5.5154 -5.3806 -5.3806 -5.3588 -5.3588 -5.2950 -5.2950 -5.0392 -5.0392 -0.3194 -0.3194 0.2530 0.2530 0.4873 0.4873 0.8883 0.8883 1.0305 1.0305 1.8874 1.8874 1.9576 1.9576 2.2944 2.2944 2.5663 2.5663 2.7213 2.7213 2.7336 2.7336 3.1248 3.1248 3.2970 3.2970 4.2999 4.2999 5.0221 5.0221 5.3647 5.3647 6.9133 6.9133 8.4912 8.4912 8.7339 8.7339 9.2247 9.2247 9.3339 9.3339 k = 0.0000 0.0000 0.3043 ( 6734 PWs) bands (ev): -21.5393 -21.5393 -21.5255 -21.5255 -6.2931 -6.2931 -6.2603 -6.2603 -5.7705 -5.7705 -5.5160 -5.5160 -5.3797 -5.3797 -5.3596 -5.3596 -5.2919 -5.2919 -5.0483 -5.0483 -0.3138 -0.3138 0.2550 0.2550 0.4930 0.4930 0.8968 0.8968 1.0307 1.0307 1.8880 1.8880 1.9585 1.9585 2.2945 2.2945 2.5701 2.5701 2.6945 2.6945 2.7237 2.7237 3.1248 3.1248 3.2774 3.2774 4.3062 4.3062 5.0138 5.0138 5.3657 5.3657 6.9499 6.9499 8.5094 8.5094 8.8318 8.8318 9.2415 9.2415 9.3769 9.3769 k = 0.0000 0.0000 0.3204 ( 6744 PWs) bands (ev): -21.5393 -21.5393 -21.5255 -21.5255 -6.2925 -6.2925 -6.2614 -6.2614 -5.7669 -5.7669 -5.5164 -5.5164 -5.3790 -5.3790 -5.3603 -5.3603 -5.2895 -5.2895 -5.0551 -5.0551 -0.3097 -0.3097 0.2565 0.2565 0.4970 0.4970 0.9033 0.9033 1.0308 1.0308 1.8885 1.8885 1.9593 1.9593 2.2946 2.2946 2.5749 2.5749 2.6656 2.6656 2.7232 2.7232 3.1248 3.1248 3.2633 3.2633 4.3110 4.3110 5.0073 5.0073 5.3667 5.3667 6.9777 6.9777 8.5226 8.5226 8.9101 8.9101 9.2492 9.2492 9.4091 9.4091 k = 0.0000 0.0000 0.3364 ( 6736 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2922 -6.2922 -6.2620 -6.2620 -5.7647 -5.7647 -5.5167 -5.5167 -5.3786 -5.3786 -5.3607 -5.3607 -5.2881 -5.2881 -5.0594 -5.0594 -0.3073 -0.3073 0.2574 0.2574 0.4995 0.4995 0.9075 0.9075 1.0309 1.0309 1.8888 1.8888 1.9598 1.9598 2.2946 2.2946 2.5800 2.5800 2.6456 2.6456 2.7230 2.7230 3.1248 3.1248 3.2547 3.2547 4.3140 4.3140 5.0031 5.0031 5.3674 5.3674 6.9950 6.9950 8.5306 8.5306 8.9592 8.9592 9.2583 9.2583 9.4300 9.4300 k = 0.0000 0.0000 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2921 -6.2921 -6.2622 -6.2622 -5.7640 -5.7640 -5.5167 -5.5167 -5.3784 -5.3784 -5.3608 -5.3608 -5.2875 -5.2875 -5.0608 -5.0608 -0.3065 -0.3065 0.2577 0.2577 0.5003 0.5003 0.9089 0.9089 1.0310 1.0310 1.8889 1.8889 1.9601 1.9601 2.2946 2.2946 2.5826 2.5826 2.6379 2.6379 2.7230 2.7230 3.1248 3.1248 3.2519 3.2519 4.3150 4.3150 5.0017 5.0017 5.3676 5.3676 7.0009 7.0009 8.5334 8.5334 8.9753 8.9753 9.2637 9.2637 9.4374 9.4374 k = 0.0000 0.0000 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2921 -6.2921 -6.2622 -6.2622 -5.7640 -5.7640 -5.5167 -5.5167 -5.3784 -5.3784 -5.3608 -5.3608 -5.2875 -5.2875 -5.0608 -5.0608 -0.3065 -0.3065 0.2577 0.2577 0.5003 0.5003 0.9089 0.9089 1.0310 1.0310 1.8889 1.8889 1.9601 1.9601 2.2946 2.2946 2.5826 2.5826 2.6379 2.6379 2.7230 2.7230 3.1248 3.1248 3.2519 3.2519 4.3150 4.3150 5.0017 5.0017 5.3676 5.3676 7.0009 7.0009 8.5334 8.5334 8.9753 8.9753 9.2637 9.2637 9.4374 9.4374 k = 0.0161-0.0000 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2921 -6.2921 -6.2623 -6.2623 -5.7640 -5.7640 -5.5169 -5.5169 -5.3790 -5.3790 -5.3609 -5.3609 -5.2875 -5.2875 -5.0597 -5.0597 -0.3064 -0.3064 0.2577 0.2577 0.5002 0.5002 0.9088 0.9088 1.0310 1.0310 1.8893 1.8893 1.9602 1.9602 2.2944 2.2944 2.5827 2.5827 2.6383 2.6383 2.7233 2.7233 3.1248 3.1248 3.2515 3.2515 4.3124 4.3124 4.9993 4.9993 5.3664 5.3664 7.0019 7.0019 8.5396 8.5396 8.9751 8.9751 9.2639 9.2639 9.4259 9.4259 k = 0.0323-0.0000 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2923 -6.2923 -6.2624 -6.2624 -5.7640 -5.7640 -5.5172 -5.5172 -5.3809 -5.3809 -5.3610 -5.3610 -5.2874 -5.2874 -5.0566 -5.0566 -0.3063 -0.3063 0.2576 0.2576 0.5000 0.5000 0.9086 0.9086 1.0309 1.0309 1.8907 1.8907 1.9605 1.9605 2.2939 2.2939 2.5830 2.5830 2.6393 2.6393 2.7244 2.7244 3.1249 3.1249 3.2503 3.2503 4.3046 4.3046 4.9924 4.9924 5.3629 5.3629 7.0047 7.0047 8.5583 8.5583 8.9747 8.9747 9.2638 9.2638 9.3950 9.3950 k = 0.0484-0.0000 0.3524 ( 6740 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2927 -6.2927 -6.2627 -6.2627 -5.7640 -5.7640 -5.5179 -5.5179 -5.3839 -5.3839 -5.3612 -5.3612 -5.2873 -5.2873 -5.0516 -5.0516 -0.3060 -0.3060 0.2575 0.2575 0.4995 0.4995 0.9082 0.9082 1.0308 1.0308 1.8929 1.8929 1.9610 1.9610 2.2931 2.2931 2.5836 2.5836 2.6410 2.6410 2.7262 2.7262 3.1250 3.1250 3.2484 3.2484 4.2917 4.2917 4.9808 4.9808 5.3575 5.3575 7.0092 7.0092 8.5890 8.5890 8.9740 8.9740 9.2605 9.2605 9.3504 9.3505 k = 0.0645-0.0000 0.3524 ( 6748 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2932 -6.2932 -6.2631 -6.2631 -5.7640 -5.7640 -5.5188 -5.5188 -5.3877 -5.3877 -5.3615 -5.3615 -5.2871 -5.2871 -5.0447 -5.0447 -0.3056 -0.3056 0.2573 0.2573 0.4988 0.4988 0.9076 0.9076 1.0307 1.0307 1.8959 1.8959 1.9619 1.9619 2.2920 2.2920 2.5844 2.5844 2.6433 2.6433 2.7286 2.7286 3.1252 3.1252 3.2458 3.2458 4.2741 4.2741 4.9645 4.9645 5.3506 5.3506 7.0152 7.0152 8.6312 8.6312 8.9730 8.9730 9.2405 9.2405 9.3081 9.3081 k = 0.0806-0.0000 0.3524 ( 6740 PWs) bands (ev): -21.5391 -21.5391 -21.5254 -21.5254 -6.2939 -6.2939 -6.2636 -6.2636 -5.7640 -5.7640 -5.5201 -5.5201 -5.3923 -5.3923 -5.3619 -5.3619 -5.2868 -5.2868 -5.0363 -5.0363 -0.3052 -0.3052 0.2571 0.2571 0.4980 0.4980 0.9069 0.9069 1.0306 1.0306 1.8996 1.8996 1.9631 1.9631 2.2906 2.2906 2.5853 2.5853 2.6461 2.6461 2.7318 2.7318 3.1254 3.1254 3.2425 3.2425 4.2520 4.2520 4.9438 4.9438 5.3428 5.3428 7.0224 7.0224 8.6839 8.6839 8.9715 8.9715 9.1830 9.1830 9.2918 9.2918 k = 0.0968-0.0000 0.3524 ( 6740 PWs) bands (ev): -21.5391 -21.5391 -21.5254 -21.5254 -6.2946 -6.2946 -6.2642 -6.2642 -5.7640 -5.7640 -5.5216 -5.5216 -5.3973 -5.3973 -5.3623 -5.3623 -5.2866 -5.2866 -5.0266 -5.0266 -0.3046 -0.3046 0.2569 0.2569 0.4970 0.4970 0.9061 0.9061 1.0304 1.0304 1.9037 1.9037 1.9648 1.9648 2.2890 2.2890 2.5866 2.5866 2.6494 2.6494 2.7355 2.7355 3.1257 3.1257 3.2385 3.2385 4.2259 4.2259 4.9188 4.9188 5.3347 5.3347 7.0307 7.0307 8.7457 8.7457 8.9686 8.9686 9.1059 9.1059 9.2879 9.2879 k = 0.1129-0.0000 0.3524 ( 6736 PWs) bands (ev): -21.5391 -21.5391 -21.5254 -21.5254 -6.2955 -6.2955 -6.2649 -6.2649 -5.7639 -5.7639 -5.5235 -5.5235 -5.4026 -5.4026 -5.3628 -5.3628 -5.2863 -5.2863 -5.0157 -5.0157 -0.3040 -0.3040 0.2566 0.2566 0.4958 0.4958 0.9051 0.9051 1.0302 1.0302 1.9082 1.9082 1.9671 1.9671 2.2872 2.2872 2.5880 2.5880 2.6531 2.6531 2.7399 2.7399 3.1260 3.1260 3.2339 3.2339 4.1961 4.1961 4.8899 4.8899 5.3267 5.3267 7.0397 7.0397 8.8130 8.8130 8.9553 8.9553 9.0334 9.0334 9.2863 9.2863 k = 0.1290-0.0000 0.3524 ( 6726 PWs) bands (ev): -21.5390 -21.5390 -21.5253 -21.5253 -6.2965 -6.2965 -6.2657 -6.2657 -5.7639 -5.7639 -5.5258 -5.5258 -5.4080 -5.4080 -5.3632 -5.3632 -5.2861 -5.2861 -5.0040 -5.0040 -0.3033 -0.3033 0.2563 0.2563 0.4945 0.4945 0.9040 0.9040 1.0300 1.0300 1.9127 1.9127 1.9702 1.9702 2.2854 2.2854 2.5897 2.5897 2.6571 2.6571 2.7448 2.7448 3.1265 3.1265 3.2287 3.2287 4.1631 4.1631 4.8577 4.8577 5.3191 5.3191 7.0493 7.0493 8.8646 8.8646 8.9081 8.9081 9.0132 9.0132 9.2852 9.2852 k = 0.1452-0.0000 0.3524 ( 6734 PWs) bands (ev): -21.5390 -21.5390 -21.5252 -21.5252 -6.2976 -6.2976 -6.2667 -6.2667 -5.7638 -5.7638 -5.5285 -5.5285 -5.4133 -5.4133 -5.3636 -5.3636 -5.2859 -5.2859 -4.9915 -4.9915 -0.3025 -0.3025 0.2559 0.2559 0.4930 0.4930 0.9028 0.9028 1.0297 1.0297 1.9170 1.9170 1.9744 1.9744 2.2834 2.2834 2.5916 2.5916 2.6613 2.6613 2.7503 2.7503 3.1270 3.1270 3.2230 3.2230 4.1275 4.1275 4.8228 4.8228 5.3120 5.3120 7.0593 7.0593 8.7929 8.7929 8.9315 8.9315 9.0498 9.0498 9.2843 9.2843 k = 0.1613-0.0000 0.3524 ( 6744 PWs) bands (ev): -21.5389 -21.5389 -21.5252 -21.5252 -6.2988 -6.2988 -6.2677 -6.2677 -5.7637 -5.7637 -5.5316 -5.5316 -5.4183 -5.4183 -5.3639 -5.3639 -5.2857 -5.2857 -4.9786 -4.9786 -0.3017 -0.3017 0.2555 0.2555 0.4913 0.4913 0.9014 0.9014 1.0295 1.0295 1.9209 1.9209 1.9797 1.9797 2.2815 2.2815 2.5938 2.5938 2.6656 2.6656 2.7562 2.7562 3.1277 3.1277 3.2169 3.2169 4.0896 4.0896 4.7858 4.7858 5.3055 5.3055 7.0694 7.0694 8.6947 8.6947 8.9459 8.9459 9.1248 9.1248 9.2850 9.2850 k = 0.1774-0.0000 0.3524 ( 6752 PWs) bands (ev): -21.5388 -21.5388 -21.5251 -21.5251 -6.3000 -6.3000 -6.2689 -6.2689 -5.7636 -5.7636 -5.5351 -5.5351 -5.4230 -5.4230 -5.3641 -5.3641 -5.2857 -5.2857 -4.9653 -4.9653 -0.3008 -0.3008 0.2551 0.2551 0.4895 0.4895 0.8999 0.8999 1.0292 1.0292 1.9242 1.9242 1.9861 1.9861 2.2795 2.2795 2.5962 2.5962 2.6700 2.6700 2.7624 2.7624 3.1284 3.1284 3.2105 3.2105 4.0501 4.0501 4.7474 4.7474 5.2997 5.2997 7.0797 7.0797 8.5939 8.5939 8.9504 8.9504 9.2067 9.2067 9.2961 9.2961 k = 0.1935-0.0000 0.3524 ( 6752 PWs) bands (ev): -21.5388 -21.5388 -21.5250 -21.5250 -6.3013 -6.3013 -6.2702 -6.2702 -5.7634 -5.7634 -5.5389 -5.5389 -5.4272 -5.4272 -5.3641 -5.3641 -5.2858 -5.2858 -4.9518 -4.9518 -0.2998 -0.2998 0.2546 0.2546 0.4876 0.4876 0.8983 0.8983 1.0289 1.0289 1.9268 1.9268 1.9937 1.9937 2.2776 2.2776 2.5989 2.5989 2.6744 2.6744 2.7690 2.7690 3.1293 3.1293 3.2038 3.2038 4.0094 4.0094 4.7083 4.7083 5.2945 5.2945 7.0899 7.0899 8.4931 8.4931 8.9522 8.9522 9.2467 9.2467 9.3563 9.3563 k = 0.2097-0.0000 0.3524 ( 6752 PWs) bands (ev): -21.5387 -21.5387 -21.5250 -21.5250 -6.3026 -6.3026 -6.2716 -6.2716 -5.7632 -5.7632 -5.5430 -5.5430 -5.4310 -5.4310 -5.3640 -5.3640 -5.2860 -5.2860 -4.9382 -4.9382 -0.2989 -0.2989 0.2541 0.2541 0.4855 0.4855 0.8967 0.8967 1.0285 1.0285 1.9289 1.9289 2.0023 2.0023 2.2758 2.2758 2.6018 2.6018 2.6787 2.6787 2.7759 2.7759 3.1304 3.1304 3.1969 3.1969 3.9680 3.9680 4.6690 4.6690 5.2899 5.2899 7.1000 7.1000 8.3936 8.3936 8.9533 8.9533 9.2508 9.2508 9.4554 9.4554 k = 0.2258-0.0000 0.3524 ( 6740 PWs) bands (ev): -21.5386 -21.5386 -21.5249 -21.5249 -6.3040 -6.3040 -6.2731 -6.2731 -5.7629 -5.7629 -5.5474 -5.5474 -5.4343 -5.4343 -5.3637 -5.3637 -5.2863 -5.2863 -4.9247 -4.9247 -0.2979 -0.2979 0.2536 0.2536 0.4833 0.4833 0.8949 0.8949 1.0282 1.0282 1.9305 1.9305 2.0116 2.0116 2.2741 2.2741 2.6049 2.6049 2.6829 2.6829 2.7829 2.7829 3.1315 3.1315 3.1898 3.1898 3.9262 3.9262 4.6301 4.6301 5.2857 5.2857 7.1099 7.1099 8.2962 8.2962 8.9544 8.9544 9.2476 9.2476 9.5604 9.5604 k = 0.2419-0.0000 0.3524 ( 6730 PWs) bands (ev): -21.5386 -21.5386 -21.5248 -21.5248 -6.3054 -6.3054 -6.2747 -6.2747 -5.7626 -5.7626 -5.5520 -5.5520 -5.4372 -5.4372 -5.3631 -5.3631 -5.2868 -5.2868 -4.9115 -4.9115 -0.2969 -0.2969 0.2530 0.2530 0.4811 0.4811 0.8931 0.8931 1.0279 1.0279 1.9318 1.9318 2.0214 2.0214 2.2725 2.2725 2.6082 2.6082 2.6869 2.6869 2.7901 2.7901 3.1329 3.1329 3.1828 3.1828 3.8845 3.8845 4.5920 4.5920 5.2820 5.2820 7.1194 7.1194 8.2017 8.2017 8.9559 8.9559 9.2422 9.2422 9.6586 9.6586 k = 0.2581-0.0000 0.3524 ( 6738 PWs) bands (ev): -21.5385 -21.5385 -21.5247 -21.5247 -6.3068 -6.3068 -6.2763 -6.2763 -5.7623 -5.7623 -5.5567 -5.5567 -5.4397 -5.4397 -5.3624 -5.3624 -5.2875 -5.2875 -4.8984 -4.8984 -0.2959 -0.2959 0.2524 0.2524 0.4788 0.4788 0.8913 0.8913 1.0276 1.0276 1.9327 1.9327 2.0316 2.0316 2.2710 2.2710 2.6117 2.6117 2.6906 2.6906 2.7973 2.7973 3.1344 3.1344 3.1758 3.1758 3.8433 3.8433 4.5550 4.5550 5.2787 5.2787 7.1286 7.1286 8.1108 8.1108 8.9580 8.9580 9.2357 9.2357 9.7298 9.7298 k = 0.2742-0.0000 0.3524 ( 6758 PWs) bands (ev): -21.5384 -21.5384 -21.5246 -21.5246 -6.3082 -6.3082 -6.2780 -6.2780 -5.7619 -5.7619 -5.5614 -5.5614 -5.4418 -5.4418 -5.3614 -5.3614 -5.2884 -5.2884 -4.8858 -4.8858 -0.2949 -0.2949 0.2519 0.2519 0.4764 0.4764 0.8894 0.8894 1.0272 1.0272 1.9335 1.9335 2.0418 2.0418 2.2697 2.2697 2.6154 2.6154 2.6939 2.6939 2.8046 2.8046 3.1361 3.1361 3.1689 3.1689 3.8029 3.8029 4.5196 4.5196 5.2757 5.2757 7.1371 7.1371 8.0239 8.0239 8.9609 8.9609 9.2285 9.2285 9.7564 9.7564 k = 0.2903-0.0000 0.3524 ( 6760 PWs) bands (ev): -21.5384 -21.5384 -21.5246 -21.5246 -6.3096 -6.3096 -6.2797 -6.2797 -5.7615 -5.7615 -5.5661 -5.5661 -5.4435 -5.4435 -5.3603 -5.3603 -5.2894 -5.2894 -4.8737 -4.8737 -0.2939 -0.2939 0.2513 0.2513 0.4741 0.4741 0.8875 0.8875 1.0269 1.0269 1.9341 1.9341 2.0520 2.0520 2.2685 2.2685 2.6191 2.6191 2.6970 2.6970 2.8118 2.8118 3.1380 3.1380 3.1623 3.1623 3.7637 3.7637 4.4860 4.4860 5.2730 5.2730 7.1450 7.1450 7.9416 7.9416 8.9646 8.9646 9.2207 9.2207 9.7550 9.7550 k = 0.3065-0.0000 0.3524 ( 6764 PWs) bands (ev): -21.5383 -21.5383 -21.5245 -21.5245 -6.3109 -6.3109 -6.2814 -6.2814 -5.7610 -5.7610 -5.5706 -5.5706 -5.4450 -5.4450 -5.3589 -5.3589 -5.2905 -5.2905 -4.8621 -4.8621 -0.2930 -0.2930 0.2507 0.2507 0.4717 0.4717 0.8857 0.8857 1.0266 1.0266 1.9346 1.9346 2.0620 2.0620 2.2674 2.2674 2.6230 2.6230 2.6996 2.6996 2.8190 2.8190 3.1401 3.1401 3.1560 3.1560 3.7259 3.7259 4.4543 4.4543 5.2706 5.2706 7.1521 7.1521 7.8645 7.8645 8.9692 8.9692 9.2126 9.2126 9.7416 9.7416 k = 0.3226-0.0000 0.3524 ( 6778 PWs) bands (ev): -21.5382 -21.5382 -21.5244 -21.5244 -6.3122 -6.3122 -6.2830 -6.2830 -5.7605 -5.7605 -5.5750 -5.5750 -5.4463 -5.4463 -5.3574 -5.3574 -5.2919 -5.2919 -4.8512 -4.8512 -0.2921 -0.2921 0.2501 0.2501 0.4694 0.4694 0.8839 0.8839 1.0264 1.0264 1.9350 1.9350 2.0717 2.0717 2.2665 2.2665 2.6268 2.6268 2.7019 2.7019 2.8259 2.8259 3.1424 3.1424 3.1500 3.1500 3.6898 3.6898 4.4249 4.4249 5.2684 5.2684 7.1581 7.1581 7.7929 7.7929 8.9748 8.9748 9.2042 9.2042 9.7225 9.7225 k = 0.3387-0.0000 0.3524 ( 6770 PWs) bands (ev): -21.5382 -21.5382 -21.5243 -21.5243 -6.3135 -6.3135 -6.2846 -6.2846 -5.7600 -5.7600 -5.5792 -5.5792 -5.4473 -5.4473 -5.3557 -5.3557 -5.2933 -5.2933 -4.8409 -4.8409 -0.2912 -0.2912 0.2496 0.2496 0.4671 0.4671 0.8821 0.8821 1.0261 1.0261 1.9353 1.9353 2.0808 2.0808 2.2657 2.2657 2.6306 2.6306 2.7037 2.7037 2.8327 2.8327 3.1436 3.1436 3.1458 3.1458 3.6556 3.6556 4.3977 4.3977 5.2665 5.2665 7.1629 7.1629 7.7274 7.7274 8.9814 8.9814 9.1955 9.1955 9.7005 9.7005 k = 0.3548-0.0000 0.3524 ( 6766 PWs) bands (ev): -21.5381 -21.5381 -21.5243 -21.5243 -6.3146 -6.3146 -6.2862 -6.2862 -5.7595 -5.7595 -5.5830 -5.5830 -5.4481 -5.4481 -5.3538 -5.3538 -5.2949 -5.2949 -4.8314 -4.8314 -0.2904 -0.2904 0.2491 0.2491 0.4650 0.4650 0.8805 0.8805 1.0259 1.0259 1.9356 1.9356 2.0894 2.0894 2.2651 2.2651 2.6343 2.6343 2.7051 2.7051 2.8392 2.8392 3.1390 3.1390 3.1480 3.1480 3.6237 3.6237 4.3730 4.3730 5.2648 5.2648 7.1663 7.1663 7.6684 7.6684 8.9889 8.9889 9.1866 9.1866 9.6771 9.6771 k = 0.3710-0.0000 0.3524 ( 6768 PWs) bands (ev): -21.5381 -21.5381 -21.5242 -21.5242 -6.3157 -6.3157 -6.2877 -6.2877 -5.7590 -5.7590 -5.5866 -5.5866 -5.4488 -5.4488 -5.3519 -5.3519 -5.2966 -5.2966 -4.8228 -4.8228 -0.2897 -0.2897 0.2486 0.2486 0.4629 0.4629 0.8789 0.8789 1.0257 1.0257 1.9359 1.9359 2.0973 2.0973 2.2645 2.2645 2.6379 2.6379 2.7062 2.7062 2.8454 2.8454 3.1344 3.1344 3.1509 3.1509 3.5941 3.5941 4.3507 4.3507 5.2633 5.2633 7.1682 7.1682 7.6163 7.6163 8.9975 8.9975 9.1776 9.1776 9.6535 9.6535 k = 0.3871-0.0000 0.3524 ( 6774 PWs) bands (ev): -21.5380 -21.5380 -21.5242 -21.5242 -6.3166 -6.3166 -6.2890 -6.2890 -5.7586 -5.7586 -5.5899 -5.5899 -5.4494 -5.4494 -5.3499 -5.3499 -5.2984 -5.2984 -4.8151 -4.8151 -0.2890 -0.2890 0.2481 0.2481 0.4611 0.4611 0.8775 0.8775 1.0255 1.0255 1.9361 1.9361 2.1044 2.1044 2.2641 2.2641 2.6412 2.6412 2.7069 2.7069 2.8511 2.8511 3.1302 3.1302 3.1539 3.1539 3.5672 3.5672 4.3310 4.3310 5.2620 5.2620 7.1683 7.1683 7.5713 7.5713 9.0069 9.0069 9.1683 9.1683 9.6306 9.6306 k = 0.4032-0.0000 0.3524 ( 6774 PWs) bands (ev): -21.5380 -21.5380 -21.5241 -21.5241 -6.3175 -6.3175 -6.2902 -6.2902 -5.7581 -5.7581 -5.5927 -5.5927 -5.4499 -5.4499 -5.3478 -5.3478 -5.3002 -5.3002 -4.8082 -4.8082 -0.2885 -0.2885 0.2477 0.2477 0.4594 0.4594 0.8762 0.8762 1.0254 1.0254 1.9363 1.9363 2.1107 2.1107 2.2638 2.2638 2.6442 2.6442 2.7074 2.7074 2.8563 2.8563 3.1266 3.1266 3.1569 3.1569 3.5432 3.5432 4.3139 4.3139 5.2609 5.2609 7.1667 7.1667 7.5336 7.5336 9.0172 9.0172 9.1588 9.1588 9.6090 9.6090 k = 0.4194-0.0000 0.3524 ( 6772 PWs) bands (ev): -21.5379 -21.5379 -21.5241 -21.5241 -6.3182 -6.3182 -6.2913 -6.2913 -5.7577 -5.7577 -5.5952 -5.5952 -5.4502 -5.4502 -5.3458 -5.3458 -5.3019 -5.3019 -4.8024 -4.8024 -0.2880 -0.2880 0.2474 0.2474 0.4579 0.4579 0.8751 0.8751 1.0252 1.0252 1.9365 1.9365 2.1161 2.1161 2.2635 2.2635 2.6469 2.6469 2.7076 2.7076 2.8609 2.8609 3.1235 3.1235 3.1599 3.1599 3.5222 3.5222 4.2994 4.2994 5.2600 5.2600 7.1638 7.1638 7.5031 7.5031 9.0281 9.0281 9.1490 9.1490 9.5895 9.5895 k = 0.4355-0.0000 0.3524 ( 6762 PWs) bands (ev): -21.5379 -21.5379 -21.5240 -21.5240 -6.3189 -6.3189 -6.2922 -6.2922 -5.7573 -5.7573 -5.5972 -5.5972 -5.4505 -5.4505 -5.3440 -5.3440 -5.3036 -5.3036 -4.7976 -4.7976 -0.2875 -0.2875 0.2471 0.2471 0.4566 0.4566 0.8742 0.8742 1.0251 1.0251 1.9366 1.9366 2.1206 2.1206 2.2633 2.2633 2.6492 2.6492 2.7077 2.7077 2.8648 2.8648 3.1210 3.1210 3.1627 3.1627 3.5045 3.5045 4.2876 4.2876 5.2592 5.2592 7.1599 7.1599 7.4795 7.4795 9.0395 9.0395 9.1389 9.1389 9.5727 9.5727 k = 0.4516-0.0000 0.3524 ( 6754 PWs) bands (ev): -21.5379 -21.5379 -21.5240 -21.5240 -6.3193 -6.3193 -6.2929 -6.2929 -5.7571 -5.7571 -5.5988 -5.5988 -5.4507 -5.4507 -5.3424 -5.3424 -5.3051 -5.3051 -4.7938 -4.7938 -0.2872 -0.2872 0.2468 0.2468 0.4556 0.4556 0.8734 0.8734 1.0250 1.0250 1.9368 1.9368 2.1241 2.1241 2.2632 2.2632 2.6510 2.6510 2.7077 2.7077 2.8679 2.8679 3.1190 3.1190 3.1652 3.1652 3.4905 3.4905 4.2783 4.2783 5.2586 5.2586 7.1557 7.1557 7.4622 7.4622 9.0511 9.0511 9.1286 9.1286 9.5589 9.5589 k = 0.4677-0.0000 0.3524 ( 6758 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3197 -6.3197 -6.2934 -6.2934 -5.7568 -5.7568 -5.6000 -5.6000 -5.4509 -5.4509 -5.3411 -5.3411 -5.3062 -5.3062 -4.7911 -4.7911 -0.2870 -0.2870 0.2467 0.2467 0.4549 0.4549 0.8729 0.8729 1.0250 1.0250 1.9369 1.9369 2.1266 2.1266 2.2631 2.2631 2.6523 2.6523 2.7077 2.7077 2.8702 2.8702 3.1176 3.1176 3.1671 3.1671 3.4802 3.4802 4.2717 4.2717 5.2582 5.2582 7.1521 7.1521 7.4504 7.4504 9.0625 9.0625 9.1184 9.1184 9.5488 9.5488 k = 0.4839-0.0000 0.3524 ( 6766 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3199 -6.3199 -6.2938 -6.2938 -5.7567 -5.7567 -5.6007 -5.6007 -5.4510 -5.4510 -5.3403 -5.3403 -5.3070 -5.3070 -4.7894 -4.7894 -0.2868 -0.2868 0.2466 0.2466 0.4544 0.4544 0.8726 0.8726 1.0249 1.0249 1.9369 1.9369 2.1281 2.1281 2.2630 2.2630 2.6531 2.6531 2.7077 2.7077 2.8716 2.8716 3.1168 3.1168 3.1683 3.1683 3.4740 3.4740 4.2678 4.2678 5.2579 5.2579 7.1496 7.1496 7.4437 7.4437 9.0725 9.0725 9.1092 9.1092 9.5426 9.5426 k = 0.5000-0.0000 0.3524 ( 6772 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3200 -6.3200 -6.2939 -6.2939 -5.7567 -5.7567 -5.6009 -5.6009 -5.4510 -5.4510 -5.3400 -5.3400 -5.3073 -5.3073 -4.7889 -4.7889 -0.2868 -0.2868 0.2465 0.2465 0.4543 0.4543 0.8725 0.8725 1.0249 1.0249 1.9369 1.9369 2.1286 2.1286 2.2630 2.2630 2.6534 2.6534 2.7077 2.7077 2.8720 2.8720 3.1165 3.1165 3.1687 3.1687 3.4719 3.4719 4.2664 4.2664 5.2579 5.2579 7.1487 7.1487 7.4415 7.4415 9.0773 9.0773 9.1047 9.1047 9.5405 9.5405 k = 0.5000-0.0000 0.3524 ( 6772 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3200 -6.3200 -6.2939 -6.2939 -5.7567 -5.7567 -5.6009 -5.6009 -5.4510 -5.4510 -5.3400 -5.3400 -5.3073 -5.3073 -4.7889 -4.7889 -0.2868 -0.2868 0.2465 0.2465 0.4543 0.4543 0.8725 0.8725 1.0249 1.0249 1.9369 1.9369 2.1286 2.1286 2.2630 2.2630 2.6534 2.6534 2.7077 2.7077 2.8720 2.8720 3.1165 3.1165 3.1687 3.1687 3.4719 3.4719 4.2664 4.2664 5.2579 5.2579 7.1487 7.1487 7.4415 7.4415 9.0773 9.0773 9.1047 9.1047 9.5405 9.5405 k = 0.5000 0.0158 0.3524 ( 6764 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3199 -6.3199 -6.2938 -6.2938 -5.7560 -5.7560 -5.6008 -5.6008 -5.4508 -5.4508 -5.3403 -5.3403 -5.3074 -5.3074 -4.7899 -4.7899 -0.2855 -0.2855 0.2472 0.2472 0.4545 0.4545 0.8726 0.8726 1.0249 1.0249 1.9350 1.9350 2.1273 2.1273 2.2627 2.2627 2.6239 2.6239 2.7367 2.7367 2.8717 2.8717 3.1197 3.1197 3.1676 3.1676 3.4764 3.4764 4.2668 4.2668 5.2496 5.2496 7.1544 7.1544 7.4439 7.4439 9.0680 9.0680 9.0957 9.0957 9.5298 9.5298 k = 0.5000 0.0317 0.3524 ( 6776 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3195 -6.3195 -6.2936 -6.2936 -5.7541 -5.7541 -5.6006 -5.6006 -5.4503 -5.4503 -5.3411 -5.3411 -5.3077 -5.3077 -4.7927 -4.7927 -0.2817 -0.2817 0.2491 0.2491 0.4553 0.4553 0.8729 0.8729 1.0249 1.0249 1.9290 1.9290 2.1236 2.1236 2.2617 2.2617 2.5782 2.5782 2.7799 2.7799 2.8718 2.8718 3.1288 3.1288 3.1652 3.1652 3.4896 3.4896 4.2680 4.2680 5.2254 5.2254 7.1706 7.1706 7.4519 7.4519 9.0403 9.0403 9.0703 9.0703 9.4992 9.4992 k = 0.5000 0.0475 0.3524 ( 6764 PWs) bands (ev): -21.5377 -21.5377 -21.5241 -21.5241 -6.3189 -6.3189 -6.2934 -6.2934 -5.7509 -5.7509 -5.6001 -5.6001 -5.4495 -5.4495 -5.3425 -5.3425 -5.3081 -5.3081 -4.7975 -4.7975 -0.2754 -0.2754 0.2524 0.2524 0.4564 0.4564 0.8734 0.8734 1.0248 1.0248 1.9192 1.9192 2.1178 2.1178 2.2601 2.2601 2.5319 2.5319 2.8161 2.8161 2.8769 2.8769 3.1405 3.1405 3.1662 3.1662 3.5104 3.5104 4.2699 4.2699 5.1872 5.1872 7.1935 7.1935 7.4668 7.4668 8.9950 8.9950 9.0317 9.0317 9.4523 9.4523 k = 0.5000 0.0634 0.3524 ( 6764 PWs) bands (ev): -21.5376 -21.5376 -21.5242 -21.5242 -6.3180 -6.3180 -6.2930 -6.2930 -5.7465 -5.7465 -5.5995 -5.5995 -5.4484 -5.4484 -5.3445 -5.3445 -5.3088 -5.3088 -4.8042 -4.8042 -0.2667 -0.2667 0.2569 0.2569 0.4580 0.4580 0.8741 0.8741 1.0248 1.0248 1.9054 1.9054 2.1104 2.1104 2.2579 2.2579 2.4871 2.4871 2.8317 2.8317 2.8972 2.8972 3.1453 3.1453 3.1816 3.1816 3.5377 3.5377 4.2725 4.2725 5.1376 5.1376 7.2184 7.2184 7.4905 7.4905 8.9352 8.9352 8.9825 8.9825 9.3937 9.3937 k = 0.5000 0.0792 0.3524 ( 6768 PWs) bands (ev): -21.5375 -21.5375 -21.5243 -21.5243 -6.3170 -6.3170 -6.2925 -6.2925 -5.7408 -5.7408 -5.5987 -5.5987 -5.4469 -5.4469 -5.3470 -5.3470 -5.3097 -5.3097 -4.8128 -4.8128 -0.2557 -0.2557 0.2628 0.2628 0.4600 0.4600 0.8750 0.8750 1.0248 1.0248 1.8877 1.8877 2.1018 2.1018 2.2552 2.2552 2.4443 2.4443 2.8307 2.8307 2.9258 2.9258 3.1463 3.1463 3.2105 3.2105 3.5706 3.5706 4.2755 4.2755 5.0797 5.0797 7.2404 7.2404 7.5242 7.5242 8.8646 8.8646 8.9242 8.9242 9.3286 9.3286 k = 0.5000 0.0951 0.3524 ( 6764 PWs) bands (ev): -21.5374 -21.5374 -21.5244 -21.5244 -6.3158 -6.3158 -6.2919 -6.2919 -5.7338 -5.7338 -5.5976 -5.5976 -5.4452 -5.4452 -5.3500 -5.3500 -5.3108 -5.3108 -4.8231 -4.8231 -0.2424 -0.2424 0.2700 0.2700 0.4622 0.4622 0.8761 0.8761 1.0249 1.0249 1.8665 1.8665 2.0922 2.0922 2.2519 2.2519 2.4042 2.4042 2.8239 2.8239 2.9498 2.9498 3.1498 3.1498 3.2478 3.2478 3.6081 3.6081 4.2789 4.2789 5.0166 5.0166 7.2566 7.2566 7.5668 7.5668 8.7865 8.7865 8.8586 8.8586 9.2619 9.2619 k = 0.5000 0.1109 0.3524 ( 6772 PWs) bands (ev): -21.5372 -21.5372 -21.5245 -21.5245 -6.3143 -6.3143 -6.2913 -6.2913 -5.7255 -5.7255 -5.5963 -5.5963 -5.4432 -5.4432 -5.3536 -5.3536 -5.3121 -5.3121 -4.8352 -4.8352 -0.2269 -0.2269 0.2785 0.2785 0.4647 0.4647 0.8774 0.8774 1.0253 1.0253 1.8421 1.8421 2.0819 2.0819 2.2481 2.2481 2.3670 2.3670 2.8147 2.8147 2.9647 2.9647 3.1573 3.1573 3.2918 3.2918 3.6498 3.6498 4.2824 4.2824 4.9516 4.9516 7.2666 7.2666 7.6140 7.6140 8.7031 8.7031 8.7870 8.7870 9.1990 9.1990 k = 0.5000 0.1267 0.3524 ( 6768 PWs) bands (ev): -21.5371 -21.5371 -21.5247 -21.5247 -6.3128 -6.3128 -6.2905 -6.2905 -5.7159 -5.7159 -5.5948 -5.5948 -5.4410 -5.4410 -5.3576 -5.3576 -5.3136 -5.3136 -4.8490 -4.8490 -0.2095 -0.2095 0.2884 0.2884 0.4673 0.4673 0.8790 0.8790 1.0258 1.0258 1.8150 1.8150 2.0707 2.0707 2.2438 2.2438 2.3331 2.3331 2.8043 2.8043 2.9707 2.9707 3.1672 3.1672 3.3412 3.3412 3.6952 3.6952 4.2856 4.2856 4.8878 4.8878 7.2716 7.2716 7.6603 7.6603 8.6163 8.6163 8.7104 8.7104 9.1456 9.1456 k = 0.5000 0.1426 0.3524 ( 6764 PWs) bands (ev): -21.5369 -21.5369 -21.5249 -21.5249 -6.3111 -6.3111 -6.2898 -6.2898 -5.7051 -5.7051 -5.5929 -5.5929 -5.4385 -5.4385 -5.3621 -5.3621 -5.3153 -5.3153 -4.8645 -4.8645 -0.1903 -0.1903 0.2994 0.2994 0.4701 0.4701 0.8809 0.8809 1.0266 1.0266 1.7856 1.7856 2.0587 2.0587 2.2392 2.2392 2.3028 2.3028 2.7935 2.7935 2.9701 2.9701 3.1765 3.1765 3.3943 3.3943 3.7439 3.7439 4.2883 4.2883 4.8279 4.8279 7.2727 7.2727 7.6996 7.6996 8.5273 8.5273 8.6293 8.6293 9.1073 9.1073 k = 0.5000 0.1584 0.3524 ( 6776 PWs) bands (ev): -21.5366 -21.5366 -21.5251 -21.5251 -6.3093 -6.3093 -6.2890 -6.2890 -5.6930 -5.6930 -5.5907 -5.5907 -5.4359 -5.4359 -5.3671 -5.3671 -5.3171 -5.3171 -4.8814 -4.8814 -0.1695 -0.1695 0.3116 0.3116 0.4732 0.4732 0.8831 0.8831 1.0276 1.0276 1.7542 1.7542 2.0456 2.0456 2.2341 2.2341 2.2762 2.2762 2.7826 2.7826 2.9651 2.9651 3.1823 3.1823 3.4498 3.4498 3.7956 3.7956 4.2902 4.2902 4.7748 4.7748 7.2710 7.2710 7.7268 7.7268 8.4371 8.4371 8.5442 8.5442 9.0895 9.0895 k = 0.5000 0.1743 0.3524 ( 6776 PWs) bands (ev): -21.5364 -21.5364 -21.5253 -21.5253 -6.3075 -6.3075 -6.2882 -6.2882 -5.6797 -5.6797 -5.5882 -5.5882 -5.4331 -5.4331 -5.3725 -5.3725 -5.3192 -5.3192 -4.8999 -4.8999 -0.1473 -0.1473 0.3245 0.3245 0.4768 0.4768 0.8859 0.8859 1.0289 1.0289 1.7213 1.7213 2.0317 2.0317 2.2285 2.2285 2.2538 2.2538 2.7720 2.7720 2.9573 2.9573 3.1821 3.1821 3.5063 3.5063 3.8499 3.8499 4.2913 4.2913 4.7305 4.7305 7.2674 7.2674 7.7381 7.7381 8.3464 8.3464 8.4556 8.4556 9.0954 9.0954 k = 0.5000 0.1901 0.3524 ( 6764 PWs) bands (ev): -21.5362 -21.5362 -21.5255 -21.5255 -6.3056 -6.3056 -6.2874 -6.2874 -5.6651 -5.6651 -5.5853 -5.5853 -5.4301 -5.4301 -5.3783 -5.3783 -5.3213 -5.3213 -4.9197 -4.9197 -0.1241 -0.1241 0.3375 0.3375 0.4813 0.4813 0.8893 0.8893 1.0303 1.0303 1.6870 1.6870 2.0171 2.0171 2.2207 2.2207 2.2371 2.2371 2.7620 2.7620 2.9478 2.9478 3.1743 3.1743 3.5630 3.5630 3.9064 3.9064 4.2918 4.2918 4.6967 4.6967 7.2624 7.2624 7.7327 7.7327 8.2557 8.2557 8.3646 8.3646 9.1260 9.1260 k = 0.5000 0.2059 0.3524 ( 6748 PWs) bands (ev): -21.5359 -21.5359 -21.5258 -21.5258 -6.3037 -6.3037 -6.2866 -6.2866 -5.6494 -5.6494 -5.5821 -5.5821 -5.4270 -5.4270 -5.3844 -5.3844 -5.3237 -5.3237 -4.9408 -4.9408 -0.0999 -0.0999 0.3499 0.3499 0.4877 0.4877 0.8935 0.8935 1.0319 1.0319 1.6515 1.6515 2.0022 2.0022 2.2080 2.2080 2.2285 2.2285 2.7529 2.7529 2.9372 2.9372 3.1576 3.1576 3.6189 3.6189 3.9642 3.9642 4.2926 4.2926 4.6738 4.6738 7.2565 7.2565 7.7115 7.7115 8.1657 8.1657 8.2724 8.2724 9.1794 9.1794 k = 0.5000 0.2218 0.3524 ( 6732 PWs) bands (ev): -21.5356 -21.5356 -21.5261 -21.5261 -6.3018 -6.3018 -6.2858 -6.2858 -5.6325 -5.6325 -5.5784 -5.5784 -5.4239 -5.4239 -5.3908 -5.3908 -5.3261 -5.3261 -4.9632 -4.9632 -0.0752 -0.0752 0.3603 0.3603 0.4971 0.4971 0.8986 0.8986 1.0333 1.0333 1.6148 1.6148 1.9876 1.9876 2.1932 2.1932 2.2250 2.2250 2.7447 2.7447 2.9258 2.9258 3.1319 3.1319 3.6738 3.6738 4.0221 4.0221 4.2951 4.2951 4.6614 4.6614 7.2500 7.2500 7.6777 7.6777 8.0766 8.0766 8.1803 8.1803 9.2521 9.2521 k = 0.5000 0.2376 0.3524 ( 6728 PWs) bands (ev): -21.5353 -21.5353 -21.5264 -21.5264 -6.2999 -6.2999 -6.2851 -6.2851 -5.6145 -5.6145 -5.5742 -5.5742 -5.4209 -5.4209 -5.3974 -5.3974 -5.3287 -5.3287 -4.9866 -4.9866 -0.0501 -0.0501 0.3674 0.3674 0.5109 0.5109 0.9048 0.9048 1.0346 1.0346 1.5771 1.5771 1.9739 1.9739 2.1783 2.1783 2.2244 2.2244 2.7376 2.7376 2.9140 2.9140 3.0975 3.0975 3.7271 3.7271 4.0782 4.0782 4.3015 4.3015 4.6581 4.6581 7.2435 7.2435 7.6346 7.6346 7.9888 7.9888 8.0895 8.0895 9.3403 9.3403 k = 0.5000 0.2535 0.3524 ( 6732 PWs) bands (ev): -21.5349 -21.5349 -21.5267 -21.5267 -6.2980 -6.2980 -6.2844 -6.2844 -5.5956 -5.5956 -5.5695 -5.5695 -5.4183 -5.4183 -5.4036 -5.4036 -5.3314 -5.3314 -5.0109 -5.0109 -0.0249 -0.0249 0.3703 0.3703 0.5299 0.5299 0.9122 0.9122 1.0355 1.0355 1.5383 1.5383 1.9617 1.9617 2.1635 2.1635 2.2262 2.2262 2.7316 2.7316 2.9018 2.9018 3.0556 3.0556 3.7787 3.7787 4.1294 4.1294 4.3146 4.3146 4.6623 4.6623 7.2372 7.2372 7.5857 7.5857 7.9027 7.9027 8.0014 8.0014 9.4402 9.4402 k = 0.5000 0.2693 0.3524 ( 6732 PWs) bands (ev): -21.5346 -21.5346 -21.5270 -21.5270 -6.2963 -6.2963 -6.2838 -6.2838 -5.5765 -5.5765 -5.5636 -5.5636 -5.4181 -5.4181 -5.4077 -5.4077 -5.3341 -5.3341 -5.0362 -5.0362 0.0003 0.0003 0.3690 0.3690 0.5541 0.5541 0.9207 0.9207 1.0357 1.0357 1.4985 1.4985 1.9514 1.9514 2.1486 2.1486 2.2305 2.2305 2.7266 2.7266 2.8891 2.8891 3.0080 3.0080 3.8284 3.8284 4.1713 4.1713 4.3381 4.3381 4.6721 4.6721 7.2316 7.2316 7.5338 7.5338 7.8185 7.8185 7.9168 7.9168 9.5487 9.5487 k = 0.5000 0.2852 0.3524 ( 6724 PWs) bands (ev): -21.5343 -21.5343 -21.5273 -21.5273 -6.2945 -6.2945 -6.2833 -6.2833 -5.5626 -5.5626 -5.5512 -5.5512 -5.4228 -5.4228 -5.4070 -5.4070 -5.3370 -5.3370 -5.0622 -5.0622 0.0252 0.0252 0.3638 0.3638 0.5831 0.5831 0.9304 0.9304 1.0350 1.0350 1.4577 1.4577 1.9435 1.9435 2.1332 2.1332 2.2374 2.2374 2.7221 2.7221 2.8759 2.8759 2.9570 2.9570 3.8760 3.8760 4.2008 4.2008 4.3738 4.3738 4.6860 4.6860 7.2269 7.2269 7.4815 7.4815 7.7370 7.7370 7.8366 7.8366 9.6634 9.6634 k = 0.5000 0.3010 0.3524 ( 6724 PWs) bands (ev): -21.5339 -21.5339 -21.5277 -21.5277 -6.2929 -6.2929 -6.2829 -6.2829 -5.5556 -5.5556 -5.5307 -5.5307 -5.4297 -5.4297 -5.4042 -5.4042 -5.3398 -5.3398 -5.0888 -5.0888 0.0497 0.0497 0.3555 0.3555 0.6160 0.6160 0.9413 0.9413 1.0333 1.0333 1.4161 1.4161 1.9381 1.9381 2.1175 2.1175 2.2472 2.2472 2.7175 2.7175 2.8608 2.8608 2.9064 2.9064 3.9213 3.9213 4.2189 4.2189 4.4194 4.4194 4.7021 4.7021 7.2233 7.2233 7.4310 7.4310 7.6589 7.6589 7.7613 7.7613 9.7821 9.7821 k = 0.5000 0.3168 0.3524 ( 6724 PWs) bands (ev): -21.5335 -21.5335 -21.5280 -21.5280 -6.2914 -6.2914 -6.2826 -6.2826 -5.5492 -5.5492 -5.5087 -5.5087 -5.4368 -5.4368 -5.4009 -5.4009 -5.3425 -5.3425 -5.1160 -5.1160 0.0738 0.0738 0.3447 0.3447 0.6521 0.6521 0.9531 0.9531 1.0303 1.0303 1.3737 1.3737 1.9354 1.9354 2.1013 2.1013 2.2599 2.2599 2.7104 2.7104 2.8364 2.8364 2.8675 2.8675 3.9641 3.9641 4.2291 4.2291 4.4697 4.4697 4.7190 4.7190 7.2211 7.2211 7.3842 7.3842 7.5852 7.5852 7.6913 7.6913 9.9033 9.9033 k = 0.5000 0.3327 0.3524 ( 6736 PWs) bands (ev): -21.5331 -21.5331 -21.5284 -21.5284 -6.2899 -6.2899 -6.2824 -6.2824 -5.5427 -5.5427 -5.4869 -5.4869 -5.4433 -5.4433 -5.3975 -5.3975 -5.3451 -5.3451 -5.1436 -5.1436 0.0973 0.0973 0.3318 0.3318 0.6906 0.6906 0.9657 0.9657 1.0261 1.0261 1.3309 1.3309 1.9355 1.9355 2.0848 2.0848 2.2757 2.2757 2.6959 2.6959 2.8012 2.8012 2.8481 2.8481 4.0044 4.0044 4.2339 4.2339 4.5209 4.5209 4.7351 4.7351 7.2202 7.2202 7.3429 7.3429 7.5171 7.5171 7.6269 7.6269 10.0253 10.0253 k = 0.5000 0.3485 0.3524 ( 6732 PWs) bands (ev): -21.5328 -21.5328 -21.5288 -21.5288 -6.2886 -6.2886 -6.2823 -6.2823 -5.5360 -5.5360 -5.4699 -5.4699 -5.4448 -5.4448 -5.3941 -5.3941 -5.3473 -5.3473 -5.1714 -5.1714 0.1204 0.1204 0.3171 0.3171 0.7308 0.7308 0.9779 0.9779 1.0213 1.0213 1.2879 1.2879 1.9384 1.9384 2.0681 2.0681 2.2948 2.2948 2.6668 2.6668 2.7773 2.7773 2.8347 2.8347 4.0419 4.0419 4.2344 4.2344 4.5703 4.5703 4.7490 4.7490 7.2197 7.2197 7.3091 7.3091 7.4562 7.4562 7.5680 7.5680 10.1470 10.1470 k = 0.5000 0.3644 0.3524 ( 6740 PWs) bands (ev): -21.5324 -21.5324 -21.5292 -21.5292 -6.2874 -6.2874 -6.2824 -6.2824 -5.5289 -5.5289 -5.4686 -5.4686 -5.4308 -5.4308 -5.3907 -5.3907 -5.3487 -5.3487 -5.1993 -5.1993 0.1428 0.1428 0.3012 0.3012 0.7718 0.7718 0.9859 0.9859 1.0197 1.0197 1.2454 1.2454 1.9439 1.9439 2.0513 2.0513 2.3174 2.3174 2.6247 2.6247 2.7683 2.7683 2.8229 2.8229 4.0764 4.0764 4.2311 4.2311 4.6162 4.6162 4.7592 4.7592 7.2186 7.2186 7.2845 7.2845 7.4047 7.4047 7.5150 7.5150 10.2669 10.2669 k = 0.5000 0.3802 0.3524 ( 6744 PWs) bands (ev): -21.5320 -21.5320 -21.5296 -21.5296 -6.2863 -6.2863 -6.2825 -6.2825 -5.5216 -5.5216 -5.4748 -5.4748 -5.4107 -5.4107 -5.3875 -5.3875 -5.3481 -5.3481 -5.2271 -5.2271 0.1648 0.1648 0.2840 0.2840 0.8125 0.8125 0.9819 0.9819 1.0286 1.0286 1.2039 1.2039 1.9518 1.9518 2.0345 2.0345 2.3436 2.3436 2.5779 2.5779 2.7675 2.7675 2.8118 2.8118 4.1079 4.1079 4.2242 4.2242 4.6572 4.6572 4.7646 4.7646 7.2158 7.2158 7.2682 7.2682 7.3667 7.3667 7.4679 7.4679 10.3840 10.3840 k = 0.5000 0.3960 0.3524 ( 6752 PWs) bands (ev): -21.5316 -21.5316 -21.5300 -21.5300 -6.2854 -6.2854 -6.2828 -6.2828 -5.5140 -5.5140 -5.4824 -5.4824 -5.3938 -5.3938 -5.3846 -5.3846 -5.3424 -5.3424 -5.2546 -5.2546 0.1862 0.1862 0.2659 0.2659 0.8518 0.8518 0.9678 0.9678 1.0462 1.0462 1.1645 1.1645 1.9620 1.9620 2.0182 2.0182 2.3736 2.3736 2.5311 2.5311 2.7708 2.7708 2.8016 2.8016 4.1360 4.1360 4.2138 4.2138 4.6924 4.6924 4.7640 4.7640 7.2135 7.2135 7.2542 7.2542 7.3478 7.3478 7.4271 7.4271 10.4966 10.4966 k = 0.5000 0.4119 0.3524 ( 6740 PWs) bands (ev): -21.5312 -21.5312 -21.5304 -21.5304 -6.2845 -6.2845 -6.2833 -6.2833 -5.5062 -5.5062 -5.4903 -5.4903 -5.3846 -5.3846 -5.3824 -5.3824 -5.3281 -5.3281 -5.2813 -5.2813 0.2071 0.2071 0.2470 0.2470 0.8883 0.8883 0.9471 0.9471 1.0689 1.0689 1.1283 1.1283 1.9740 1.9740 2.0024 2.0024 2.4075 2.4075 2.4865 2.4865 2.7764 2.7764 2.7922 2.7922 4.1608 4.1608 4.1997 4.1997 4.7210 4.7210 4.7568 4.7568 7.2156 7.2156 7.2382 7.2382 7.3496 7.3496 7.3928 7.3928 10.6027 10.6027 k = 0.5000 0.4277 0.3524 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2838 -6.2838 -6.2838 -6.2838 -5.4983 -5.4983 -5.4983 -5.4983 -5.3819 -5.3819 -5.3819 -5.3819 -5.3065 -5.3065 -5.3065 -5.3065 0.2273 0.2273 0.2274 0.2274 0.9202 0.9202 0.9205 0.9205 1.0961 1.0961 1.0963 1.0963 1.9875 1.9875 1.9877 1.9877 2.4451 2.4451 2.4453 2.4453 2.7836 2.7836 2.7838 2.7838 4.1820 4.1820 4.1820 4.1820 4.7425 4.7425 4.7426 4.7426 7.2241 7.2241 7.2241 7.2241 7.3662 7.3662 7.3663 7.3663 10.6968 10.6968 k = 0.5000 0.4277 0.3524 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2838 -6.2838 -6.2838 -6.2838 -5.4983 -5.4983 -5.4983 -5.4983 -5.3819 -5.3819 -5.3819 -5.3819 -5.3065 -5.3065 -5.3065 -5.3065 0.2273 0.2273 0.2274 0.2274 0.9202 0.9202 0.9205 0.9205 1.0961 1.0961 1.0963 1.0963 1.9875 1.9875 1.9877 1.9877 2.4451 2.4451 2.4453 2.4453 2.7836 2.7836 2.7838 2.7838 4.1820 4.1820 4.1820 4.1820 4.7425 4.7425 4.7426 4.7426 7.2241 7.2241 7.2241 7.2241 7.3662 7.3662 7.3663 7.3663 10.6968 10.6968 k = 0.4839 0.4277 0.3524 ( 6732 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2844 -6.2844 -6.2834 -6.2834 -5.5073 -5.5073 -5.4907 -5.4907 -5.3928 -5.3928 -5.3716 -5.3716 -5.3079 -5.3079 -5.3025 -5.3025 0.2268 0.2268 0.2277 0.2277 0.9189 0.9189 0.9216 0.9216 1.0955 1.0955 1.0967 1.0967 1.9861 1.9861 1.9891 1.9891 2.4422 2.4422 2.4473 2.4473 2.7809 2.7809 2.7853 2.7853 4.1827 4.1827 4.1828 4.1828 4.7421 4.7421 4.7430 4.7430 7.2218 7.2218 7.2293 7.2293 7.3648 7.3648 7.3736 7.3736 10.6981 10.6988 k = 0.4677 0.4277 0.3524 ( 6732 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2851 -6.2851 -6.2832 -6.2832 -5.5172 -5.5172 -5.4852 -5.4852 -5.4029 -5.4029 -5.3633 -5.3633 -5.3060 -5.3060 -5.2966 -5.2966 0.2260 0.2260 0.2278 0.2278 0.9174 0.9174 0.9226 0.9226 1.0945 1.0945 1.0968 1.0968 1.9846 1.9846 1.9905 1.9905 2.4385 2.4385 2.4487 2.4487 2.7769 2.7769 2.7855 2.7855 4.1849 4.1849 4.1851 4.1851 4.7417 4.7417 4.7434 4.7434 7.2225 7.2225 7.2367 7.2367 7.3698 7.3698 7.3866 7.3866 10.7014 10.7024 k = 0.4516 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2860 -6.2860 -6.2832 -6.2832 -5.5276 -5.5276 -5.4826 -5.4826 -5.4111 -5.4111 -5.3579 -5.3579 -5.3000 -5.3000 -5.2892 -5.2892 0.2250 0.2250 0.2277 0.2277 0.9156 0.9156 0.9234 0.9234 1.0932 1.0932 1.0967 1.0967 1.9832 1.9832 1.9919 1.9919 2.4340 2.4340 2.4492 2.4492 2.7717 2.7717 2.7845 2.7845 4.1885 4.1885 4.1889 4.1889 4.7413 4.7413 4.7439 4.7439 7.2257 7.2257 7.2453 7.2453 7.3824 7.3824 7.4057 7.4057 10.7046 10.7075 k = 0.4355 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2870 -6.2870 -6.2833 -6.2833 -5.5385 -5.5385 -5.4840 -5.4840 -5.4160 -5.4160 -5.3551 -5.3551 -5.2903 -5.2903 -5.2805 -5.2805 0.2238 0.2238 0.2273 0.2273 0.9137 0.9137 0.9239 0.9239 1.0917 1.0917 1.0962 1.0962 1.9818 1.9818 1.9932 1.9932 2.4289 2.4289 2.4489 2.4489 2.7655 2.7655 2.7823 2.7823 4.1936 4.1936 4.1940 4.1940 4.7409 4.7409 4.7445 4.7445 7.2309 7.2309 7.2536 7.2536 7.4037 7.4037 7.4314 7.4314 10.7102 10.7137 k = 0.4194 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5309 -21.5309 -21.5308 -21.5308 -6.2882 -6.2882 -6.2837 -6.2837 -5.5496 -5.5496 -5.4895 -5.4895 -5.4173 -5.4173 -5.3541 -5.3541 -5.2782 -5.2782 -5.2708 -5.2708 0.2224 0.2224 0.2267 0.2267 0.9116 0.9116 0.9243 0.9243 1.0899 1.0899 1.0956 1.0956 1.9805 1.9805 1.9944 1.9944 2.4231 2.4231 2.4476 2.4476 2.7584 2.7584 2.7790 2.7790 4.2001 4.2001 4.2005 4.2005 4.7406 4.7406 4.7452 4.7452 7.2374 7.2374 7.2609 7.2609 7.4345 7.4345 7.4642 7.4642 10.7187 10.7205 k = 0.4032 0.4277 0.3524 ( 6724 PWs) bands (ev): -21.5309 -21.5309 -21.5309 -21.5309 -6.2895 -6.2895 -6.2842 -6.2842 -5.5607 -5.5607 -5.4981 -5.4981 -5.4159 -5.4159 -5.3539 -5.3539 -5.2647 -5.2647 -5.2602 -5.2602 0.2208 0.2208 0.2259 0.2259 0.9095 0.9095 0.9244 0.9244 1.0878 1.0878 1.0946 1.0946 1.9792 1.9792 1.9955 1.9955 2.4167 2.4167 2.4455 2.4455 2.7507 2.7507 2.7746 2.7746 4.2079 4.2079 4.2083 4.2083 4.7404 4.7404 4.7460 4.7460 7.2445 7.2445 7.2671 7.2671 7.4745 7.4745 7.5044 7.5044 10.7249 10.7278 k = 0.3871 0.4277 0.3524 ( 6716 PWs) bands (ev): -21.5309 -21.5309 -21.5309 -21.5309 -6.2910 -6.2910 -6.2850 -6.2850 -5.5717 -5.5717 -5.5086 -5.5086 -5.4129 -5.4129 -5.3540 -5.3540 -5.2504 -5.2504 -5.2490 -5.2490 0.2190 0.2190 0.2249 0.2249 0.9072 0.9072 0.9242 0.9242 1.0856 1.0856 1.0934 1.0934 1.9781 1.9781 1.9965 1.9965 2.4097 2.4097 2.4424 2.4424 2.7424 2.7424 2.7694 2.7694 4.2169 4.2169 4.2172 4.2172 4.7403 4.7403 4.7470 4.7470 7.2520 7.2520 7.2726 7.2726 7.5233 7.5233 7.5521 7.5521 10.7283 10.7348 k = 0.3710 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5310 -21.5310 -21.5310 -21.5310 -6.2926 -6.2926 -6.2859 -6.2859 -5.5825 -5.5825 -5.5200 -5.5200 -5.4091 -5.4091 -5.3541 -5.3541 -5.2371 -5.2371 -5.2358 -5.2358 0.2170 0.2170 0.2236 0.2236 0.9048 0.9048 0.9237 0.9237 1.0831 1.0831 1.0920 1.0920 1.9770 1.9770 1.9973 1.9973 2.4023 2.4023 2.4385 2.4385 2.7338 2.7338 2.7635 2.7635 4.2270 4.2270 4.2271 4.2271 4.7406 4.7406 4.7484 4.7484 7.2596 7.2596 7.2776 7.2776 7.5802 7.5802 7.6073 7.6073 10.7396 10.7409 k = 0.3548 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5310 -21.5310 -21.5310 -21.5310 -6.2943 -6.2943 -6.2870 -6.2870 -5.5930 -5.5930 -5.5318 -5.5318 -5.4049 -5.4049 -5.3542 -5.3542 -5.2249 -5.2249 -5.2212 -5.2212 0.2148 0.2148 0.2220 0.2220 0.9023 0.9023 0.9230 0.9230 1.0806 1.0806 1.0904 1.0904 1.9761 1.9761 1.9979 1.9979 2.3944 2.3944 2.4337 2.4337 2.7251 2.7251 2.7569 2.7569 4.2379 4.2379 4.2382 4.2382 4.7411 4.7411 4.7501 4.7501 7.2673 7.2673 7.2826 7.2826 7.6447 7.6447 7.6698 7.6698 10.7318 10.7426 k = 0.3387 0.4277 0.3524 ( 6732 PWs) bands (ev): -21.5311 -21.5311 -21.5311 -21.5311 -6.2961 -6.2961 -6.2883 -6.2883 -5.6031 -5.6031 -5.5436 -5.5436 -5.4006 -5.4006 -5.3541 -5.3541 -5.2124 -5.2124 -5.2066 -5.2066 0.2125 0.2125 0.2203 0.2203 0.8997 0.8997 0.9220 0.9220 1.0778 1.0778 1.0886 1.0886 1.9753 1.9753 1.9984 1.9984 2.3862 2.3862 2.4280 2.4280 2.7163 2.7163 2.7499 2.7499 4.2495 4.2495 4.2502 4.2502 4.7420 4.7420 4.7523 4.7523 7.2750 7.2750 7.2876 7.2876 7.7163 7.7163 7.7393 7.7393 10.7324 10.7444 k = 0.3226 0.4277 0.3524 ( 6736 PWs) bands (ev): -21.5312 -21.5312 -21.5312 -21.5312 -6.2980 -6.2980 -6.2898 -6.2898 -5.6128 -5.6128 -5.5552 -5.5552 -5.3963 -5.3963 -5.3538 -5.3538 -5.1997 -5.1997 -5.1922 -5.1922 0.2101 0.2101 0.2183 0.2183 0.8971 0.8971 0.9207 0.9207 1.0750 1.0750 1.0866 1.0866 1.9747 1.9747 1.9987 1.9987 2.3778 2.3778 2.4216 2.4216 2.7078 2.7078 2.7425 2.7425 4.2616 4.2616 4.2629 4.2629 4.7435 4.7435 4.7551 4.7551 7.2827 7.2827 7.2928 7.2928 7.7945 7.7945 7.8154 7.8154 10.7439 10.7466 k = 0.3065 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5312 -21.5312 -21.5312 -21.5312 -6.3000 -6.3000 -6.2915 -6.2915 -5.6220 -5.6220 -5.5665 -5.5665 -5.3921 -5.3921 -5.3534 -5.3534 -5.1871 -5.1871 -5.1782 -5.1782 0.2075 0.2075 0.2161 0.2161 0.8945 0.8945 0.9192 0.9192 1.0722 1.0722 1.0844 1.0844 1.9741 1.9741 1.9987 1.9987 2.3691 2.3691 2.4144 2.4144 2.6996 2.6996 2.7350 2.7350 4.2741 4.2741 4.2760 4.2760 4.7456 4.7456 4.7585 4.7585 7.2904 7.2904 7.2982 7.2982 7.8789 7.8789 7.8978 7.8978 10.7398 10.7412 k = 0.2903 0.4277 0.3524 ( 6720 PWs) bands (ev): -21.5313 -21.5313 -21.5313 -21.5313 -6.3021 -6.3021 -6.2934 -6.2934 -5.6306 -5.6306 -5.5774 -5.5774 -5.3879 -5.3879 -5.3527 -5.3527 -5.1745 -5.1745 -5.1646 -5.1646 0.2048 0.2048 0.2137 0.2137 0.8919 0.8919 0.9173 0.9173 1.0694 1.0694 1.0822 1.0822 1.9737 1.9737 1.9986 1.9986 2.3604 2.3604 2.4066 2.4066 2.6918 2.6918 2.7274 2.7274 4.2868 4.2868 4.2895 4.2895 4.7484 4.7484 4.7626 4.7626 7.2980 7.2980 7.3039 7.3039 7.9692 7.9692 7.9860 7.9860 10.7273 10.7307 k = 0.2742 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5314 -21.5314 -21.5314 -21.5314 -6.3042 -6.3042 -6.2953 -6.2953 -5.6387 -5.6387 -5.5879 -5.5879 -5.3839 -5.3839 -5.3520 -5.3520 -5.1622 -5.1622 -5.1515 -5.1515 0.2021 0.2021 0.2112 0.2112 0.8892 0.8892 0.9152 0.9152 1.0665 1.0665 1.0798 1.0798 1.9734 1.9734 1.9983 1.9983 2.3517 2.3517 2.3984 2.3984 2.6845 2.6845 2.7198 2.7198 4.2995 4.2995 4.3029 4.3029 4.7521 4.7521 4.7675 4.7675 7.3057 7.3057 7.3098 7.3098 8.0650 8.0650 8.0797 8.0797 10.6916 10.7079 k = 0.2581 0.4277 0.3524 ( 6736 PWs) bands (ev): -21.5315 -21.5315 -21.5314 -21.5314 -6.3064 -6.3064 -6.2975 -6.2975 -5.6462 -5.6462 -5.5978 -5.5978 -5.3799 -5.3799 -5.3511 -5.3511 -5.1501 -5.1501 -5.1389 -5.1389 0.1992 0.1992 0.2085 0.2085 0.8867 0.8867 0.9128 0.9128 1.0638 1.0638 1.0773 1.0773 1.9733 1.9733 1.9979 1.9979 2.3431 2.3431 2.3897 2.3897 2.6777 2.6777 2.7124 2.7124 4.3120 4.3120 4.3162 4.3162 4.7567 4.7567 4.7733 4.7733 7.3134 7.3134 7.3160 7.3160 8.1658 8.1658 8.1784 8.1784 10.6600 10.6919 k = 0.2419 0.4277 0.3524 ( 6752 PWs) bands (ev): -21.5315 -21.5315 -21.5315 -21.5315 -6.3085 -6.3085 -6.2997 -6.2997 -5.6530 -5.6530 -5.6073 -5.6073 -5.3761 -5.3761 -5.3501 -5.3501 -5.1383 -5.1383 -5.1268 -5.1268 0.1963 0.1963 0.2056 0.2056 0.8842 0.8842 0.9102 0.9102 1.0612 1.0612 1.0748 1.0748 1.9732 1.9732 1.9972 1.9972 2.3347 2.3347 2.3808 2.3808 2.6715 2.6715 2.7051 2.7051 4.3241 4.3241 4.3291 4.3291 4.7623 4.7623 4.7800 4.7800 7.3210 7.3210 7.3223 7.3223 8.2715 8.2715 8.2818 8.2818 10.6310 10.6441 k = 0.2258 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5316 -21.5316 -21.5316 -21.5316 -6.3107 -6.3107 -6.3020 -6.3020 -5.6593 -5.6593 -5.6162 -5.6162 -5.3724 -5.3724 -5.3490 -5.3490 -5.1270 -5.1270 -5.1155 -5.1155 0.1935 0.1935 0.2027 0.2027 0.8817 0.8817 0.9075 0.9075 1.0587 1.0587 1.0722 1.0722 1.9733 1.9733 1.9964 1.9964 2.3266 2.3266 2.3717 2.3717 2.6658 2.6658 2.6981 2.6981 4.3356 4.3356 4.3414 4.3414 4.7690 4.7690 4.7876 4.7876 7.3284 7.3284 7.3287 7.3287 8.3815 8.3815 8.3893 8.3893 10.5914 10.5963 k = 0.2097 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5317 -21.5317 -21.5317 -21.5317 -6.3128 -6.3128 -6.3043 -6.3043 -5.6649 -5.6649 -5.6246 -5.6246 -5.3689 -5.3689 -5.3479 -5.3479 -5.1162 -5.1162 -5.1047 -5.1047 0.1906 0.1906 0.1996 0.1996 0.8794 0.8794 0.9045 0.9045 1.0563 1.0563 1.0697 1.0697 1.9734 1.9734 1.9955 1.9955 2.3190 2.3190 2.3627 2.3627 2.6607 2.6607 2.6914 2.6914 4.3465 4.3465 4.3529 4.3529 4.7767 4.7767 4.7960 4.7960 7.3352 7.3352 7.3357 7.3357 8.4955 8.4955 8.5006 8.5006 10.5517 10.5653 k = 0.1935 0.4277 0.3524 ( 6736 PWs) bands (ev): -21.5317 -21.5317 -21.5317 -21.5317 -6.3148 -6.3148 -6.3067 -6.3067 -5.6699 -5.6699 -5.6325 -5.6325 -5.3655 -5.3655 -5.3467 -5.3467 -5.1059 -5.1059 -5.0947 -5.0947 0.1878 0.1878 0.1965 0.1965 0.8773 0.8773 0.9014 0.9014 1.0542 1.0542 1.0671 1.0671 1.9736 1.9736 1.9944 1.9944 2.3118 2.3118 2.3537 2.3537 2.6562 2.6562 2.6850 2.6850 4.3565 4.3565 4.3634 4.3634 4.7855 4.7855 4.8051 4.8051 7.3417 7.3417 7.3428 7.3428 8.6130 8.6130 8.6150 8.6150 10.5064 10.5149 k = 0.1774 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5318 -21.5318 -21.5318 -21.5318 -6.3168 -6.3168 -6.3091 -6.3091 -5.6743 -5.6743 -5.6398 -5.6398 -5.3622 -5.3622 -5.3456 -5.3456 -5.0962 -5.0962 -5.0854 -5.0854 0.1851 0.1851 0.1935 0.1935 0.8753 0.8753 0.8983 0.8983 1.0522 1.0522 1.0646 1.0646 1.9739 1.9739 1.9933 1.9933 2.3052 2.3052 2.3449 2.3449 2.6523 2.6523 2.6790 2.6790 4.3656 4.3656 4.3729 4.3729 4.7951 4.7951 4.8148 4.8148 7.3480 7.3480 7.3496 7.3496 8.7319 8.7319 8.7335 8.7335 10.4621 10.4621 k = 0.1613 0.4277 0.3524 ( 6736 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -6.3187 -6.3187 -6.3115 -6.3115 -5.6781 -5.6781 -5.6465 -5.6465 -5.3592 -5.3592 -5.3445 -5.3445 -5.0871 -5.0871 -5.0770 -5.0770 0.1825 0.1825 0.1904 0.1904 0.8735 0.8735 0.8951 0.8951 1.0505 1.0505 1.0622 1.0622 1.9742 1.9742 1.9921 1.9921 2.2992 2.2992 2.3365 2.3365 2.6488 2.6488 2.6733 2.6733 4.3739 4.3739 4.3812 4.3812 4.8055 4.8055 4.8249 4.8249 7.3542 7.3542 7.3561 7.3561 8.8508 8.8508 8.8566 8.8566 10.3935 10.3936 k = 0.1452 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5319 -21.5319 -21.5319 -21.5319 -6.3204 -6.3204 -6.3137 -6.3137 -5.6813 -5.6813 -5.6528 -5.6528 -5.3563 -5.3563 -5.3434 -5.3434 -5.0788 -5.0788 -5.0693 -5.0693 0.1800 0.1800 0.1875 0.1875 0.8719 0.8719 0.8919 0.8919 1.0489 1.0489 1.0599 1.0599 1.9746 1.9746 1.9908 1.9908 2.2939 2.2939 2.3284 2.3284 2.6459 2.6459 2.6681 2.6681 4.3812 4.3812 4.3884 4.3884 4.8164 4.8164 4.8351 4.8351 7.3601 7.3601 7.3622 7.3622 8.9707 8.9707 8.9816 8.9816 10.3247 10.3247 k = 0.1290 0.4277 0.3524 ( 6732 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -6.3220 -6.3220 -6.3159 -6.3159 -5.6840 -5.6840 -5.6585 -5.6585 -5.3536 -5.3536 -5.3425 -5.3425 -5.0711 -5.0711 -5.0624 -5.0624 0.1778 0.1778 0.1846 0.1846 0.8705 0.8705 0.8888 0.8888 1.0476 1.0476 1.0576 1.0576 1.9751 1.9751 1.9895 1.9895 2.2893 2.2893 2.3208 2.3208 2.6434 2.6434 2.6633 2.6633 4.3875 4.3875 4.3946 4.3946 4.8275 4.8275 4.8451 4.8451 7.3656 7.3656 7.3678 7.3678 9.0907 9.0907 9.1076 9.1076 10.2589 10.2589 k = 0.1129 0.4277 0.3524 ( 6728 PWs) bands (ev): -21.5320 -21.5320 -21.5320 -21.5320 -6.3234 -6.3234 -6.3180 -6.3180 -5.6861 -5.6861 -5.6637 -5.6637 -5.3512 -5.3512 -5.3416 -5.3416 -5.0642 -5.0642 -5.0564 -5.0564 0.1758 0.1758 0.1819 0.1819 0.8695 0.8695 0.8857 0.8857 1.0466 1.0466 1.0555 1.0555 1.9756 1.9756 1.9882 1.9882 2.2855 2.2855 2.3136 2.3136 2.6414 2.6414 2.6589 2.6589 4.3930 4.3930 4.3996 4.3996 4.8385 4.8385 4.8548 4.8548 7.3708 7.3708 7.3728 7.3728 9.2096 9.2096 9.2335 9.2335 10.1982 10.1982 k = 0.0968 0.4277 0.3524 ( 6748 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -6.3246 -6.3246 -6.3199 -6.3199 -5.6876 -5.6876 -5.6684 -5.6684 -5.3489 -5.3489 -5.3409 -5.3409 -5.0580 -5.0580 -5.0512 -5.0512 0.1740 0.1740 0.1794 0.1794 0.8686 0.8686 0.8828 0.8828 1.0457 1.0457 1.0536 1.0536 1.9761 1.9761 1.9870 1.9870 2.2824 2.2824 2.3070 2.3070 2.6399 2.6399 2.6549 2.6549 4.3977 4.3977 4.4037 4.4037 4.8491 4.8491 4.8637 4.8637 7.3754 7.3754 7.3773 7.3773 9.3257 9.3257 9.3579 9.3579 10.1441 10.1441 k = 0.0806 0.4277 0.3524 ( 6748 PWs) bands (ev): -21.5321 -21.5321 -21.5321 -21.5321 -6.3256 -6.3256 -6.3216 -6.3216 -5.6887 -5.6887 -5.6726 -5.6726 -5.3469 -5.3469 -5.3403 -5.3403 -5.0527 -5.0527 -5.0469 -5.0469 0.1726 0.1726 0.1771 0.1771 0.8681 0.8681 0.8801 0.8801 1.0451 1.0451 1.0518 1.0518 1.9767 1.9767 1.9857 1.9857 2.2802 2.2802 2.3011 2.3011 2.6388 2.6388 2.6513 2.6513 4.4017 4.4017 4.4068 4.4068 4.8590 4.8590 4.8716 4.8716 7.3795 7.3795 7.3812 7.3812 9.4372 9.4372 9.4783 9.4783 10.0977 10.0977 k = 0.0645 0.4277 0.3524 ( 6744 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3263 -6.3263 -6.3231 -6.3231 -5.6892 -5.6892 -5.6763 -5.6763 -5.3452 -5.3452 -5.3400 -5.3400 -5.0482 -5.0482 -5.0435 -5.0435 0.1714 0.1714 0.1751 0.1751 0.8679 0.8679 0.8776 0.8776 1.0448 1.0448 1.0502 1.0502 1.9773 1.9773 1.9845 1.9845 2.2788 2.2788 2.2957 2.2957 2.6382 2.6382 2.6482 2.6482 4.4049 4.4049 4.4092 4.4092 4.8678 4.8678 4.8782 4.8782 7.3829 7.3829 7.3844 7.3844 9.5414 9.5414 9.5909 9.5909 10.0599 10.0600 k = 0.0484 0.4277 0.3524 ( 6744 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3268 -6.3268 -6.3244 -6.3244 -5.6893 -5.6893 -5.6796 -5.6796 -5.3436 -5.3436 -5.3398 -5.3398 -5.0445 -5.0445 -5.0410 -5.0410 0.1706 0.1706 0.1735 0.1735 0.8680 0.8680 0.8754 0.8754 1.0447 1.0447 1.0487 1.0487 1.9780 1.9780 1.9834 1.9834 2.2782 2.2782 2.2910 2.2910 2.6379 2.6379 2.6455 2.6455 4.4075 4.4075 4.4108 4.4108 4.8753 4.8753 4.8832 4.8832 7.3857 7.3857 7.3868 7.3868 9.6349 9.6349 9.6895 9.6895 10.0315 10.0316 k = 0.0323 0.4277 0.3524 ( 6748 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3271 -6.3271 -6.3254 -6.3254 -5.6888 -5.6888 -5.6824 -5.6824 -5.3424 -5.3424 -5.3398 -5.3398 -5.0417 -5.0417 -5.0393 -5.0393 0.1702 0.1702 0.1721 0.1721 0.8685 0.8685 0.8734 0.8734 1.0448 1.0448 1.0475 1.0475 1.9787 1.9787 1.9823 1.9823 2.2784 2.2784 2.2870 2.2870 2.6382 2.6382 2.6432 2.6432 4.4095 4.4095 4.4117 4.4117 4.8812 4.8812 4.8866 4.8866 7.3878 7.3878 7.3886 7.3886 9.7133 9.7133 9.7636 9.7636 10.0134 10.0134 k = 0.0161 0.4277 0.3524 ( 6752 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3271 -6.3271 -6.3262 -6.3262 -5.6879 -5.6879 -5.6847 -5.6847 -5.3414 -5.3414 -5.3401 -5.3401 -5.0398 -5.0398 -5.0386 -5.0386 0.1701 0.1701 0.1711 0.1711 0.8692 0.8692 0.8717 0.8717 1.0451 1.0451 1.0465 1.0465 1.9795 1.9795 1.9813 1.9813 2.2794 2.2794 2.2837 2.2837 2.6388 2.6388 2.6413 2.6413 4.4109 4.4109 4.4120 4.4120 4.8854 4.8854 4.8881 4.8881 7.3892 7.3892 7.3895 7.3895 9.7714 9.7714 9.8023 9.8023 10.0058 10.0058 k = 0.0000 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3268 -6.3268 -6.3268 -6.3268 -5.6865 -5.6865 -5.6865 -5.6865 -5.3406 -5.3406 -5.3406 -5.3406 -5.0388 -5.0388 -5.0387 -5.0387 0.1703 0.1703 0.1705 0.1705 0.8702 0.8702 0.8704 0.8704 1.0456 1.0456 1.0458 1.0458 1.9803 1.9803 1.9805 1.9805 2.2811 2.2811 2.2813 2.2813 2.6397 2.6397 2.6400 2.6400 4.4117 4.4117 4.4118 4.4118 4.8877 4.8877 4.8877 4.8877 7.3897 7.3897 7.3898 7.3898 9.8031 9.8031 9.8031 9.8031 10.0071 10.0072 k = 0.0000 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3268 -6.3268 -6.3268 -6.3268 -5.6865 -5.6865 -5.6865 -5.6865 -5.3406 -5.3406 -5.3406 -5.3406 -5.0388 -5.0388 -5.0387 -5.0387 0.1703 0.1703 0.1705 0.1705 0.8702 0.8702 0.8704 0.8704 1.0456 1.0456 1.0458 1.0458 1.9803 1.9803 1.9805 1.9805 2.2811 2.2811 2.2813 2.2813 2.6397 2.6397 2.6400 2.6400 4.4117 4.4117 4.4118 4.4118 4.8877 4.8877 4.8877 4.8877 7.3897 7.3897 7.3898 7.3898 9.8031 9.8031 9.8031 9.8031 10.0071 10.0071 k = 0.0000 0.4119 0.3524 ( 6738 PWs) bands (ev): -21.5326 -21.5326 -21.5318 -21.5318 -6.3285 -6.3285 -6.3247 -6.3247 -5.6925 -5.6925 -5.6803 -5.6803 -5.3413 -5.3413 -5.3400 -5.3400 -5.0508 -5.0508 -5.0277 -5.0277 0.1501 0.1501 0.1907 0.1907 0.8340 0.8340 0.9030 0.9030 1.0316 1.0316 1.0628 1.0628 1.9621 1.9621 2.0005 2.0005 2.2483 2.2483 2.3175 2.3175 2.6265 2.6265 2.6548 2.6548 4.3894 4.3894 4.4303 4.4303 4.8692 4.8692 4.9045 4.9045 7.3713 7.3713 7.4169 7.4169 9.7414 9.7414 9.8615 9.8615 9.9698 9.9698 k = 0.0000 0.3960 0.3524 ( 6736 PWs) bands (ev): -21.5330 -21.5330 -21.5314 -21.5314 -6.3300 -6.3300 -6.3224 -6.3224 -5.6981 -5.6981 -5.6738 -5.6738 -5.3420 -5.3420 -5.3394 -5.3394 -5.0638 -5.0638 -5.0178 -5.0178 0.1298 0.1298 0.2107 0.2107 0.7959 0.7959 0.9299 0.9299 1.0205 1.0205 1.0834 1.0834 1.9459 1.9459 2.0218 2.0218 2.2190 2.2190 2.3566 2.3566 2.6147 2.6147 2.6715 2.6715 4.3634 4.3634 4.4451 4.4451 4.8488 4.8488 4.9194 4.9194 7.3619 7.3619 7.4526 7.4526 9.6775 9.6775 9.9156 9.9156 9.9206 9.9206 k = 0.0000 0.3802 0.3524 ( 6732 PWs) bands (ev): -21.5334 -21.5334 -21.5310 -21.5310 -6.3310 -6.3310 -6.3198 -6.3198 -5.7035 -5.7035 -5.6670 -5.6670 -5.3428 -5.3428 -5.3389 -5.3389 -5.0776 -5.0776 -5.0090 -5.0090 0.1098 0.1098 0.2301 0.2301 0.7574 0.7574 0.9483 0.9483 1.0137 1.0137 1.1081 1.1081 1.9323 1.9323 2.0439 2.0439 2.1937 2.1937 2.3981 2.3981 2.6046 2.6046 2.6902 2.6902 4.3335 4.3335 4.4562 4.4562 4.8269 4.8269 4.9328 4.9328 7.3616 7.3616 7.4963 7.4963 9.6119 9.6119 9.8584 9.8584 9.9647 9.9647 k = 0.0000 0.3644 0.3524 ( 6738 PWs) bands (ev): -21.5338 -21.5338 -21.5306 -21.5306 -6.3317 -6.3317 -6.3169 -6.3169 -5.7087 -5.7087 -5.6599 -5.6599 -5.3437 -5.3437 -5.3384 -5.3384 -5.0921 -5.0921 -5.0014 -5.0014 0.0899 0.0899 0.2485 0.2485 0.7195 0.7195 0.9558 0.9558 1.0130 1.0130 1.1367 1.1367 1.9213 1.9213 2.0659 2.0659 2.1729 2.1729 2.4408 2.4408 2.5961 2.5961 2.7113 2.7113 4.2999 4.2999 4.4639 4.4639 4.8037 4.8037 4.9450 4.9450 7.3703 7.3703 7.5475 7.5475 9.5453 9.5453 9.7814 9.7814 10.0021 10.0023 k = 0.0000 0.3485 0.3524 ( 6730 PWs) bands (ev): -21.5342 -21.5342 -21.5303 -21.5303 -6.3321 -6.3321 -6.3138 -6.3138 -5.7135 -5.7135 -5.6525 -5.6525 -5.3446 -5.3446 -5.3380 -5.3380 -5.1071 -5.1071 -4.9951 -4.9951 0.0702 0.0702 0.2653 0.2653 0.6832 0.6832 0.9542 0.9542 1.0173 1.0173 1.1684 1.1684 1.9131 1.9131 2.0865 2.0865 2.1575 2.1575 2.4837 2.4837 2.5896 2.5896 2.7353 2.7353 4.2625 4.2625 4.4684 4.4684 4.7795 4.7795 4.9563 4.9563 7.3877 7.3877 7.6057 7.6057 9.4783 9.4783 9.6879 9.6879 9.9784 9.9785 k = 0.0000 0.3327 0.3524 ( 6726 PWs) bands (ev): -21.5346 -21.5346 -21.5299 -21.5299 -6.3321 -6.3321 -6.3106 -6.3106 -5.7181 -5.7181 -5.6448 -5.6448 -5.3455 -5.3455 -5.3377 -5.3377 -5.1226 -5.1226 -4.9901 -4.9901 0.0504 0.0504 0.2800 0.2800 0.6497 0.6497 0.9482 0.9482 1.0228 1.0228 1.2021 1.2021 1.9076 1.9076 2.1028 2.1028 2.1501 2.1501 2.5249 2.5249 2.5856 2.5856 2.7627 2.7627 4.2216 4.2216 4.4702 4.4702 4.7548 4.7548 4.9671 4.9671 7.4137 7.4137 7.6702 7.6702 9.4112 9.4112 9.5784 9.5784 9.9364 9.9364 k = 0.0000 0.3168 0.3524 ( 6740 PWs) bands (ev): -21.5350 -21.5350 -21.5295 -21.5295 -6.3317 -6.3317 -6.3072 -6.3072 -5.7225 -5.7225 -5.6369 -5.6369 -5.3466 -5.3466 -5.3374 -5.3374 -5.1384 -5.1384 -4.9864 -4.9864 0.0305 0.0305 0.2920 0.2920 0.6196 0.6196 0.9410 0.9410 1.0275 1.0275 1.2372 1.2372 1.9045 1.9045 2.1099 2.1099 2.1553 2.1553 2.5597 2.5597 2.5875 2.5875 2.7941 2.7941 4.1772 4.1772 4.4698 4.4698 4.7298 4.7298 4.9777 4.9777 7.4476 7.4476 7.7405 7.7405 9.3438 9.3438 9.4562 9.4562 9.8908 9.8908 k = 0.0000 0.3010 0.3524 ( 6732 PWs) bands (ev): -21.5353 -21.5353 -21.5292 -21.5292 -6.3309 -6.3309 -6.3037 -6.3037 -5.7266 -5.7266 -5.6287 -5.6287 -5.3477 -5.3477 -5.3373 -5.3373 -5.1543 -5.1543 -4.9840 -4.9840 0.0102 0.0102 0.3006 0.3006 0.5939 0.5939 0.9338 0.9338 1.0309 1.0309 1.2730 1.2730 1.9035 1.9035 2.1109 2.1109 2.1698 2.1698 2.5733 2.5733 2.6094 2.6094 2.8295 2.8295 4.1296 4.1296 4.4682 4.4682 4.7051 4.7051 4.9885 4.9885 7.4889 7.4889 7.8158 7.8158 9.2714 9.2714 9.3298 9.3298 9.8453 9.8453 k = 0.0000 0.2852 0.3524 ( 6724 PWs) bands (ev): -21.5357 -21.5357 -21.5288 -21.5288 -6.3298 -6.3298 -6.3002 -6.3002 -5.7305 -5.7305 -5.6203 -5.6203 -5.3490 -5.3490 -5.3372 -5.3372 -5.1701 -5.1701 -4.9829 -4.9829 -0.0105 -0.0105 0.3055 0.3055 0.5730 0.5730 0.9273 0.9273 1.0330 1.0330 1.3096 1.3096 1.9040 1.9040 2.1123 2.1123 2.1867 2.1867 2.5767 2.5767 2.6397 2.6397 2.8681 2.8681 4.0790 4.0790 4.4662 4.4662 4.6811 4.6811 4.9997 4.9997 7.5371 7.5371 7.8957 7.8957 9.1633 9.1633 9.2339 9.2339 9.8014 9.8014 k = 0.0000 0.2693 0.3524 ( 6734 PWs) bands (ev): -21.5360 -21.5360 -21.5285 -21.5285 -6.3284 -6.3284 -6.2966 -6.2966 -5.7342 -5.7342 -5.6117 -5.6117 -5.3503 -5.3503 -5.3373 -5.3373 -5.1856 -5.1856 -4.9830 -4.9830 -0.0318 -0.0318 0.3067 0.3067 0.5570 0.5570 0.9217 0.9217 1.0341 1.0341 1.3467 1.3467 1.9058 1.9058 2.1167 2.1167 2.2032 2.2032 2.5805 2.5805 2.6679 2.6679 2.9088 2.9088 4.0257 4.0257 4.4648 4.4648 4.6584 4.6584 5.0114 5.0114 7.5913 7.5913 7.9794 7.9794 9.0235 9.0235 9.1677 9.1677 9.7597 9.7597 k = 0.0000 0.2535 0.3524 ( 6730 PWs) bands (ev): -21.5364 -21.5364 -21.5282 -21.5282 -6.3266 -6.3266 -6.2931 -6.2931 -5.7376 -5.7376 -5.6029 -5.6029 -5.3519 -5.3519 -5.3375 -5.3375 -5.2007 -5.2007 -4.9842 -4.9842 -0.0537 -0.0537 0.3047 0.3047 0.5453 0.5453 0.9172 0.9172 1.0343 1.0343 1.3845 1.3845 1.9083 1.9083 2.1249 2.1249 2.2183 2.2183 2.5860 2.5860 2.6932 2.6932 2.9494 2.9494 3.9701 3.9701 4.4644 4.4644 4.6381 4.6381 5.0236 5.0236 7.6507 7.6507 8.0661 8.0661 8.8779 8.8779 9.1084 9.1084 9.7205 9.7205 k = 0.0000 0.2376 0.3524 ( 6718 PWs) bands (ev): -21.5367 -21.5367 -21.5279 -21.5279 -6.3246 -6.3246 -6.2896 -6.2896 -5.7408 -5.7408 -5.5941 -5.5941 -5.3535 -5.3535 -5.3380 -5.3380 -5.2151 -5.2151 -4.9866 -4.9866 -0.0761 -0.0761 0.3005 0.3005 0.5372 0.5372 0.9138 0.9138 1.0340 1.0340 1.4231 1.4231 1.9113 1.9113 2.1368 2.1368 2.2316 2.2316 2.5934 2.5934 2.7159 2.7159 2.9881 2.9881 3.9126 3.9126 4.4650 4.4650 4.6218 4.6218 5.0365 5.0365 7.7140 7.7140 8.1547 8.1547 8.7326 8.7326 9.0528 9.0528 9.6838 9.6838 k = 0.0000 0.2218 0.3524 ( 6720 PWs) bands (ev): -21.5370 -21.5370 -21.5276 -21.5276 -6.3223 -6.3223 -6.2862 -6.2862 -5.7438 -5.7438 -5.5853 -5.5853 -5.3555 -5.3555 -5.3386 -5.3386 -5.2285 -5.2285 -4.9900 -4.9900 -0.0990 -0.0990 0.2949 0.2949 0.5314 0.5314 0.9113 0.9113 1.0334 1.0334 1.4625 1.4625 1.9147 1.9147 2.1524 2.1524 2.2432 2.2432 2.6023 2.6023 2.7364 2.7364 3.0231 3.0231 3.8537 3.8537 4.4652 4.4652 4.6122 4.6122 5.0500 5.0500 7.7791 7.7791 8.2428 8.2428 8.5926 8.5926 9.0008 9.0008 9.6497 9.6497 k = 0.0000 0.2059 0.3524 ( 6722 PWs) bands (ev): -21.5373 -21.5373 -21.5273 -21.5273 -6.3198 -6.3198 -6.2830 -6.2830 -5.7466 -5.7466 -5.5765 -5.5765 -5.3576 -5.3576 -5.3395 -5.3395 -5.2408 -5.2408 -4.9944 -4.9944 -0.1220 -0.1220 0.2889 0.2889 0.5272 0.5272 0.9096 0.9096 1.0326 1.0326 1.5027 1.5027 1.9182 1.9182 2.1711 2.1711 2.2531 2.2531 2.6124 2.6124 2.7548 2.7548 3.0530 3.0530 3.7938 3.7938 4.4625 4.4625 4.6130 4.6130 5.0641 5.0641 7.8423 7.8423 8.3169 8.3169 8.4752 8.4752 8.9528 8.9528 9.6182 9.6182 k = 0.0000 0.1901 0.3524 ( 6718 PWs) bands (ev): -21.5376 -21.5376 -21.5271 -21.5271 -6.3172 -6.3172 -6.2799 -6.2799 -5.7492 -5.7492 -5.5680 -5.5680 -5.3600 -5.3600 -5.3408 -5.3408 -5.2517 -5.2517 -4.9995 -4.9995 -0.1449 -0.1449 0.2831 0.2831 0.5238 0.5238 0.9085 0.9085 1.0319 1.0319 1.5435 1.5435 1.9220 1.9220 2.1925 2.1925 2.2616 2.2616 2.6235 2.6235 2.7711 2.7711 3.0771 3.0771 3.7335 3.7335 4.4548 4.4548 4.6269 4.6269 5.0790 5.0790 7.8932 7.8932 8.2948 8.2948 8.4721 8.4721 8.9092 8.9092 9.5895 9.5895 k = 0.0000 0.1743 0.3524 ( 6728 PWs) bands (ev): -21.5378 -21.5378 -21.5268 -21.5268 -6.3144 -6.3144 -6.2770 -6.2770 -5.7515 -5.7515 -5.5597 -5.5597 -5.3628 -5.3628 -5.3422 -5.3422 -5.2610 -5.2610 -5.0054 -5.0054 -0.1673 -0.1673 0.2779 0.2779 0.5208 0.5208 0.9080 0.9080 1.0312 1.0312 1.5847 1.5847 1.9259 1.9259 2.2160 2.2160 2.2693 2.2693 2.6350 2.6350 2.7850 2.7850 3.0949 3.0949 3.6734 3.6734 4.4425 4.4425 4.6536 4.6536 5.0948 5.0948 7.9051 7.9051 8.2329 8.2329 8.5522 8.5522 8.8712 8.8712 9.5635 9.5635 k = 0.0000 0.1584 0.3524 ( 6734 PWs) bands (ev): -21.5381 -21.5381 -21.5266 -21.5266 -6.3115 -6.3115 -6.2743 -6.2743 -5.7537 -5.7537 -5.5518 -5.5518 -5.3657 -5.3657 -5.3440 -5.3440 -5.2687 -5.2687 -5.0117 -5.0117 -0.1889 -0.1889 0.2733 0.2733 0.5180 0.5180 0.9077 0.9077 1.0307 1.0307 1.6260 1.6260 1.9299 1.9299 2.2403 2.2403 2.2773 2.2773 2.6465 2.6465 2.7961 2.7961 3.1069 3.1069 3.6141 3.6141 4.4271 4.4271 4.6906 4.6906 5.1118 5.1118 7.8477 7.8477 8.2344 8.2344 8.6392 8.6392 8.8419 8.8419 9.5401 9.5401 k = 0.0000 0.1426 0.3524 ( 6746 PWs) bands (ev): -21.5383 -21.5383 -21.5264 -21.5264 -6.3086 -6.3086 -6.2719 -6.2719 -5.7556 -5.7556 -5.5446 -5.5446 -5.3688 -5.3688 -5.3459 -5.3459 -5.2747 -5.2747 -5.0184 -5.0184 -0.2094 -0.2094 0.2696 0.2696 0.5152 0.5152 0.9077 0.9077 1.0304 1.0304 1.6668 1.6668 1.9340 1.9340 2.2615 2.2615 2.2896 2.2896 2.6576 2.6576 2.8036 2.8036 3.1139 3.1139 3.5564 3.5564 4.4104 4.4104 4.7350 4.7350 5.1306 5.1306 7.7441 7.7441 8.2841 8.2841 8.7130 8.7130 8.8330 8.8330 9.5194 9.5194 k = 0.0000 0.1267 0.3524 ( 6738 PWs) bands (ev): -21.5385 -21.5385 -21.5262 -21.5262 -6.3057 -6.3057 -6.2697 -6.2697 -5.7574 -5.7574 -5.5380 -5.5380 -5.3718 -5.3718 -5.3479 -5.3479 -5.2792 -5.2792 -5.0253 -5.0253 -0.2285 -0.2285 0.2665 0.2665 0.5125 0.5125 0.9077 0.9077 1.0302 1.0302 1.7065 1.7065 1.9381 1.9381 2.2735 2.2735 2.3125 2.3125 2.6681 2.6681 2.8068 2.8068 3.1173 3.1173 3.5011 3.5011 4.3935 4.3935 4.7834 4.7834 5.1519 5.1519 7.6260 7.6260 8.3499 8.3499 8.7429 8.7429 8.8744 8.8744 9.5012 9.5012 k = 0.0000 0.1109 0.3524 ( 6754 PWs) bands (ev): -21.5386 -21.5386 -21.5261 -21.5261 -6.3030 -6.3030 -6.2679 -6.2679 -5.7589 -5.7589 -5.5324 -5.5324 -5.3745 -5.3745 -5.3500 -5.3500 -5.2824 -5.2824 -5.0321 -5.0321 -0.2459 -0.2459 0.2640 0.2640 0.5100 0.5100 0.9079 0.9079 1.0302 1.0302 1.7444 1.7444 1.9421 1.9421 2.2796 2.2796 2.3424 2.3424 2.6776 2.6776 2.8047 2.8047 3.1184 3.1184 3.4490 3.4490 4.3772 4.3772 4.8324 4.8324 5.1765 5.1765 7.5067 7.5067 8.4159 8.4159 8.7464 8.7464 8.9497 8.9497 9.4855 9.4855 k = 0.0000 0.0951 0.3524 ( 6770 PWs) bands (ev): -21.5388 -21.5388 -21.5259 -21.5259 -6.3004 -6.3004 -6.2663 -6.2663 -5.7603 -5.7603 -5.5276 -5.5276 -5.3767 -5.3767 -5.3521 -5.3521 -5.2846 -5.2846 -5.0387 -5.0387 -0.2615 -0.2615 0.2621 0.2621 0.5076 0.5076 0.9081 0.9081 1.0303 1.0303 1.7795 1.7795 1.9460 1.9460 2.2837 2.2837 2.3757 2.3757 2.6858 2.6858 2.7966 2.7966 3.1186 3.1186 3.4012 3.4012 4.3620 4.3620 4.8784 4.8784 5.2054 5.2054 7.3921 7.3921 8.4714 8.4714 8.7572 8.7572 9.0282 9.0282 9.4722 9.4722 k = 0.0000 0.0792 0.3524 ( 6766 PWs) bands (ev): -21.5389 -21.5389 -21.5258 -21.5258 -6.2981 -6.2981 -6.2650 -6.2650 -5.7614 -5.7614 -5.5238 -5.5238 -5.3782 -5.3782 -5.3542 -5.3542 -5.2860 -5.2860 -5.0448 -5.0448 -0.2749 -0.2749 0.2606 0.2606 0.5055 0.5055 0.9083 0.9083 1.0304 1.0304 1.8111 1.8111 1.9496 1.9496 2.2870 2.2870 2.4112 2.4112 2.6924 2.6924 2.7825 2.7825 3.1188 3.1188 3.3584 3.3584 4.3485 4.3485 4.9183 4.9183 5.2385 5.2385 7.2858 7.2858 8.5083 8.5083 8.7864 8.7864 9.1003 9.1003 9.4613 9.4613 k = 0.0000 0.0634 0.3524 ( 6758 PWs) bands (ev): -21.5390 -21.5390 -21.5257 -21.5257 -6.2960 -6.2960 -6.2639 -6.2639 -5.7623 -5.7623 -5.5210 -5.5210 -5.3789 -5.3789 -5.3561 -5.3561 -5.2868 -5.2868 -5.0502 -5.0502 -0.2861 -0.2861 0.2595 0.2595 0.5037 0.5037 0.9085 0.9085 1.0306 1.0306 1.8382 1.8382 1.9529 1.9529 2.2896 2.2896 2.4484 2.4484 2.6965 2.6965 2.7632 2.7632 3.1197 3.1197 3.3218 3.3218 4.3368 4.3368 4.9502 4.9502 5.2745 5.2745 7.1914 7.1914 8.5266 8.5266 8.8323 8.8323 9.1612 9.1612 9.4526 9.4527 k = 0.0000 0.0475 0.3524 ( 6754 PWs) bands (ev): -21.5391 -21.5391 -21.5256 -21.5256 -6.2943 -6.2943 -6.2632 -6.2632 -5.7631 -5.7631 -5.5190 -5.5190 -5.3791 -5.3791 -5.3579 -5.3579 -5.2873 -5.2873 -5.0547 -5.0547 -0.2950 -0.2950 0.2587 0.2587 0.5023 0.5023 0.9086 0.9086 1.0307 1.0307 1.8600 1.8600 1.9557 1.9557 2.2917 2.2917 2.4868 2.4868 2.6955 2.6955 2.7420 2.7420 3.1211 3.1211 3.2921 3.2921 4.3275 4.3275 4.9738 4.9738 5.3098 5.3098 7.1121 7.1121 8.5330 8.5330 8.8844 8.8844 9.2079 9.2079 9.4460 9.4460 k = 0.0000 0.0317 0.3524 ( 6748 PWs) bands (ev): -21.5392 -21.5392 -21.5256 -21.5256 -6.2931 -6.2931 -6.2626 -6.2626 -5.7636 -5.7636 -5.5177 -5.5177 -5.3789 -5.3789 -5.3594 -5.3594 -5.2875 -5.2875 -5.0580 -5.0580 -0.3013 -0.3013 0.2581 0.2581 0.5012 0.5012 0.9088 0.9088 1.0309 1.0309 1.8760 1.8760 1.9580 1.9580 2.2933 2.2933 2.5254 2.5254 2.6820 2.6820 2.7279 2.7279 3.1228 3.1228 3.2701 3.2701 4.3206 4.3206 4.9897 4.9897 5.3400 5.3400 7.0518 7.0518 8.5341 8.5341 8.9313 8.9313 9.2397 9.2397 9.4413 9.4413 k = 0.0000 0.0158 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5256 -21.5256 -6.2923 -6.2923 -6.2623 -6.2623 -5.7639 -5.7639 -5.5170 -5.5170 -5.3786 -5.3786 -5.3605 -5.3605 -5.2875 -5.2875 -5.0601 -5.0601 -0.3052 -0.3052 0.2578 0.2578 0.5005 0.5005 0.9089 0.9089 1.0309 1.0309 1.8856 1.8856 1.9595 1.9595 2.2943 2.2943 2.5618 2.5618 2.6561 2.6561 2.7237 2.7237 3.1242 3.1242 3.2565 3.2565 4.3164 4.3164 4.9987 4.9987 5.3604 5.3604 7.0139 7.0139 8.5337 8.5337 8.9637 8.9637 9.2579 9.2579 9.4384 9.4384 k = 0.0000 0.0000 0.3524 ( 6732 PWs) bands (ev): -21.5392 -21.5392 -21.5255 -21.5255 -6.2921 -6.2921 -6.2622 -6.2622 -5.7640 -5.7640 -5.5167 -5.5167 -5.3784 -5.3784 -5.3608 -5.3608 -5.2875 -5.2875 -5.0608 -5.0608 -0.3065 -0.3065 0.2577 0.2577 0.5003 0.5003 0.9089 0.9089 1.0310 1.0310 1.8889 1.8889 1.9601 1.9601 2.2946 2.2946 2.5826 2.5826 2.6379 2.6379 2.7230 2.7230 3.1248 3.1248 3.2519 3.2519 4.3150 4.3150 5.0017 5.0017 5.3676 5.3676 7.0009 7.0009 8.5334 8.5334 8.9753 8.9753 9.2637 9.2638 9.4374 9.4374 k = 0.0000 0.4277-0.0000 ( 6732 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3106 -6.3106 -6.3106 -6.3106 -5.6746 -5.6746 -5.6746 -5.6746 -5.3700 -5.3700 -5.3700 -5.3700 -5.0641 -5.0641 -5.0640 -5.0640 0.3508 0.3508 0.3510 0.3510 0.9061 0.9061 0.9064 0.9064 1.1943 1.1943 1.1945 1.1945 1.8956 1.8956 1.8958 1.8958 2.3438 2.3438 2.3440 2.3440 2.6464 2.6464 2.6467 2.6467 3.5081 3.5081 3.5082 3.5082 4.7976 4.7976 4.7976 4.7976 8.6795 8.6795 8.6795 8.6795 9.4515 9.4515 9.4515 9.4515 9.7141 9.7141 k = 0.0000 0.4277 0.0160 ( 6726 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3107 -6.3107 -6.3107 -6.3107 -5.6747 -5.6747 -5.6747 -5.6747 -5.3699 -5.3699 -5.3699 -5.3699 -5.0639 -5.0639 -5.0639 -5.0639 0.3499 0.3499 0.3501 0.3501 0.9060 0.9060 0.9062 0.9062 1.1929 1.1929 1.1931 1.1931 1.8963 1.8963 1.8965 1.8965 2.3433 2.3433 2.3435 2.3435 2.6463 2.6463 2.6466 2.6466 3.5128 3.5128 3.5129 3.5129 4.7976 4.7976 4.7976 4.7976 8.6737 8.6737 8.6737 8.6737 9.4527 9.4527 9.4527 9.4527 9.7153 9.7154 k = 0.0000 0.4277 0.0320 ( 6728 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3110 -6.3110 -6.3109 -6.3109 -5.6749 -5.6749 -5.6749 -5.6749 -5.3694 -5.3694 -5.3694 -5.3694 -5.0636 -5.0636 -5.0636 -5.0636 0.3474 0.3474 0.3476 0.3476 0.9056 0.9056 0.9058 0.9058 1.1889 1.1889 1.1891 1.1891 1.8985 1.8985 1.8986 1.8986 2.3418 2.3418 2.3420 2.3420 2.6461 2.6461 2.6463 2.6463 3.5266 3.5266 3.5267 3.5267 4.7975 4.7975 4.7976 4.7976 8.6562 8.6562 8.6563 8.6563 9.4562 9.4562 9.4562 9.4562 9.7192 9.7192 k = 0.0000 0.4277 0.0481 ( 6726 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3114 -6.3114 -6.3114 -6.3114 -5.6752 -5.6752 -5.6752 -5.6752 -5.3685 -5.3685 -5.3685 -5.3685 -5.0630 -5.0630 -5.0630 -5.0630 0.3433 0.3433 0.3435 0.3435 0.9049 0.9049 0.9051 0.9051 1.1825 1.1825 1.1827 1.1827 1.9019 1.9019 1.9020 1.9020 2.3393 2.3393 2.3395 2.3395 2.6457 2.6457 2.6460 2.6460 3.5492 3.5492 3.5493 3.5493 4.7975 4.7975 4.7975 4.7975 8.6273 8.6273 8.6274 8.6274 9.4622 9.4622 9.4622 9.4622 9.7255 9.7255 k = 0.0000 0.4277 0.0641 ( 6720 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3119 -6.3119 -6.3119 -6.3119 -5.6757 -5.6757 -5.6757 -5.6757 -5.3674 -5.3674 -5.3674 -5.3674 -5.0622 -5.0622 -5.0622 -5.0622 0.3375 0.3375 0.3377 0.3377 0.9039 0.9039 0.9041 0.9041 1.1741 1.1741 1.1743 1.1743 1.9063 1.9063 1.9065 1.9065 2.3361 2.3361 2.3363 2.3363 2.6452 2.6452 2.6455 2.6455 3.5802 3.5802 3.5803 3.5803 4.7975 4.7975 4.7975 4.7975 8.5875 8.5875 8.5875 8.5875 9.4704 9.4704 9.4704 9.4704 9.7345 9.7345 k = 0.0000 0.4277 0.0801 ( 6718 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3126 -6.3126 -6.3126 -6.3126 -5.6763 -5.6763 -5.6762 -5.6762 -5.3660 -5.3660 -5.3660 -5.3660 -5.0612 -5.0612 -5.0612 -5.0612 0.3303 0.3303 0.3305 0.3305 0.9026 0.9026 0.9028 0.9028 1.1641 1.1641 1.1643 1.1643 1.9116 1.9116 1.9118 1.9118 2.3322 2.3322 2.3324 2.3324 2.6447 2.6447 2.6449 2.6449 3.6188 3.6188 3.6189 3.6189 4.7976 4.7976 4.7976 4.7976 8.5372 8.5372 8.5373 8.5373 9.4810 9.4810 9.4810 9.4810 9.7460 9.7460 k = 0.0000 0.4277 0.0961 ( 6714 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3135 -6.3135 -6.3135 -6.3135 -5.6769 -5.6769 -5.6769 -5.6769 -5.3644 -5.3644 -5.3644 -5.3644 -5.0600 -5.0600 -5.0599 -5.0599 0.3216 0.3216 0.3218 0.3218 0.9010 0.9010 0.9012 0.9012 1.1530 1.1530 1.1532 1.1532 1.9175 1.9175 1.9177 1.9177 2.3279 2.3279 2.3281 2.3281 2.6441 2.6441 2.6443 2.6443 3.6643 3.6643 3.6643 3.6643 4.7978 4.7978 4.7978 4.7978 8.4773 8.4773 8.4774 8.4774 9.4937 9.4937 9.4937 9.4937 9.7601 9.7601 k = 0.0000 0.4277 0.1121 ( 6714 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3144 -6.3144 -6.3144 -6.3144 -5.6777 -5.6777 -5.6777 -5.6777 -5.3626 -5.3626 -5.3626 -5.3626 -5.0586 -5.0586 -5.0586 -5.0586 0.3118 0.3118 0.3119 0.3119 0.8992 0.8992 0.8994 0.8994 1.1414 1.1414 1.1415 1.1415 1.9237 1.9237 1.9239 1.9239 2.3233 2.3233 2.3235 2.3235 2.6435 2.6435 2.6438 2.6438 3.7157 3.7157 3.7158 3.7158 4.7983 4.7983 4.7983 4.7983 8.4088 8.4088 8.4089 8.4089 9.5085 9.5085 9.5086 9.5086 9.7765 9.7765 k = 0.0000 0.4277 0.1281 ( 6718 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3154 -6.3154 -6.3154 -6.3154 -5.6785 -5.6785 -5.6784 -5.6784 -5.3607 -5.3607 -5.3607 -5.3607 -5.0571 -5.0571 -5.0570 -5.0570 0.3008 0.3008 0.3010 0.3010 0.8971 0.8971 0.8973 0.8973 1.1295 1.1295 1.1297 1.1297 1.9301 1.9301 1.9303 1.9303 2.3186 2.3186 2.3188 2.3188 2.6430 2.6430 2.6432 2.6432 3.7721 3.7721 3.7722 3.7722 4.7991 4.7991 4.7992 4.7992 8.3329 8.3329 8.3329 8.3329 9.5254 9.5254 9.5254 9.5254 9.7951 9.7952 k = 0.0000 0.4277 0.1442 ( 6726 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3165 -6.3165 -6.3165 -6.3165 -5.6793 -5.6793 -5.6793 -5.6793 -5.3586 -5.3586 -5.3586 -5.3586 -5.0554 -5.0554 -5.0554 -5.0554 0.2889 0.2889 0.2891 0.2891 0.8948 0.8948 0.8950 0.8950 1.1179 1.1179 1.1181 1.1181 1.9364 1.9364 1.9366 1.9366 2.3139 2.3139 2.3141 2.3141 2.6425 2.6425 2.6427 2.6427 3.8325 3.8325 3.8325 3.8325 4.8005 4.8005 4.8005 4.8005 8.2509 8.2509 8.2509 8.2509 9.5441 9.5441 9.5441 9.5441 9.8156 9.8157 k = 0.0000 0.4277 0.1602 ( 6722 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3176 -6.3176 -6.3176 -6.3176 -5.6801 -5.6801 -5.6801 -5.6801 -5.3565 -5.3565 -5.3565 -5.3565 -5.0537 -5.0537 -5.0537 -5.0537 0.2764 0.2764 0.2766 0.2766 0.8924 0.8924 0.8926 0.8926 1.1068 1.1068 1.1070 1.1070 1.9425 1.9425 1.9427 1.9427 2.3094 2.3094 2.3095 2.3095 2.6420 2.6420 2.6422 2.6422 3.8957 3.8957 3.8957 3.8957 4.8024 4.8024 4.8025 4.8025 8.1643 8.1643 8.1644 8.1644 9.5645 9.5645 9.5645 9.5645 9.8377 9.8377 k = 0.0000 0.4277 0.1762 ( 6722 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3188 -6.3188 -6.3188 -6.3188 -5.6810 -5.6810 -5.6810 -5.6810 -5.3544 -5.3544 -5.3544 -5.3544 -5.0519 -5.0519 -5.0519 -5.0519 0.2635 0.2635 0.2637 0.2637 0.8898 0.8898 0.8900 0.8900 1.0965 1.0965 1.0967 1.0967 1.9483 1.9483 1.9485 1.9485 2.3050 2.3050 2.3052 2.3052 2.6416 2.6416 2.6418 2.6418 3.9605 3.9605 3.9605 3.9605 4.8052 4.8052 4.8053 4.8053 8.0748 8.0748 8.0748 8.0748 9.5864 9.5864 9.5864 9.5864 9.8608 9.8608 k = 0.0000 0.4277 0.1922 ( 6734 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3199 -6.3199 -6.3199 -6.3199 -5.6818 -5.6818 -5.6818 -5.6818 -5.3524 -5.3524 -5.3524 -5.3524 -5.0501 -5.0501 -5.0501 -5.0501 0.2505 0.2505 0.2507 0.2507 0.8871 0.8871 0.8873 0.8873 1.0871 1.0871 1.0873 1.0873 1.9538 1.9538 1.9540 1.9540 2.3010 2.3010 2.3011 2.3011 2.6412 2.6412 2.6414 2.6414 4.0256 4.0256 4.0256 4.0256 4.8090 4.8090 4.8091 4.8091 7.9838 7.9838 7.9839 7.9839 9.6095 9.6095 9.6096 9.6096 9.8844 9.8844 k = 0.0000 0.4277 0.2082 ( 6732 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3211 -6.3211 -6.3211 -6.3211 -5.6826 -5.6826 -5.6826 -5.6826 -5.3504 -5.3504 -5.3504 -5.3504 -5.0483 -5.0483 -5.0483 -5.0483 0.2376 0.2376 0.2378 0.2378 0.8845 0.8845 0.8847 0.8847 1.0787 1.0787 1.0788 1.0788 1.9588 1.9588 1.9590 1.9590 2.2972 2.2972 2.2974 2.2974 2.6409 2.6409 2.6411 2.6411 4.0897 4.0897 4.0897 4.0897 4.8141 4.8141 4.8141 4.8141 7.8932 7.8932 7.8933 7.8933 9.6337 9.6337 9.6337 9.6337 9.9078 9.9078 k = 0.0000 0.4277 0.2243 ( 6734 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3221 -6.3221 -6.3221 -6.3221 -5.6834 -5.6834 -5.6834 -5.6834 -5.3485 -5.3485 -5.3485 -5.3485 -5.0465 -5.0465 -5.0465 -5.0465 0.2252 0.2252 0.2254 0.2254 0.8819 0.8819 0.8821 0.8821 1.0713 1.0713 1.0715 1.0715 1.9633 1.9633 1.9635 1.9635 2.2938 2.2938 2.2940 2.2940 2.6406 2.6406 2.6409 2.6409 4.1513 4.1513 4.1514 4.1514 4.8205 4.8205 4.8205 4.8205 7.8047 7.8047 7.8048 7.8048 9.6585 9.6585 9.6585 9.6585 9.9302 9.9303 k = 0.0000 0.4277 0.2403 ( 6734 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3231 -6.3231 -6.3231 -6.3231 -5.6841 -5.6841 -5.6841 -5.6841 -5.3467 -5.3467 -5.3467 -5.3467 -5.0449 -5.0449 -5.0449 -5.0449 0.2136 0.2136 0.2137 0.2137 0.8794 0.8794 0.8796 0.8796 1.0649 1.0649 1.0651 1.0651 1.9673 1.9673 1.9675 1.9675 2.2909 2.2909 2.2910 2.2910 2.6404 2.6404 2.6406 2.6406 4.2090 4.2090 4.2090 4.2090 4.8285 4.8285 4.8285 4.8285 7.7200 7.7200 7.7201 7.7201 9.6836 9.6836 9.6836 9.6836 9.9510 9.9510 k = 0.0000 0.4277 0.2563 ( 6728 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3241 -6.3241 -6.3241 -6.3241 -5.6847 -5.6847 -5.6847 -5.6847 -5.3452 -5.3452 -5.3452 -5.3452 -5.0434 -5.0434 -5.0434 -5.0434 0.2029 0.2029 0.2030 0.2030 0.8771 0.8771 0.8773 0.8773 1.0596 1.0596 1.0598 1.0598 1.9707 1.9707 1.9709 1.9709 2.2883 2.2883 2.2884 2.2884 2.6402 2.6402 2.6404 2.6404 4.2612 4.2612 4.2612 4.2612 4.8379 4.8379 4.8380 4.8380 7.6411 7.6411 7.6412 7.6412 9.7084 9.7084 9.7084 9.7084 9.9691 9.9692 k = 0.0000 0.4277 0.2723 ( 6736 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3249 -6.3249 -6.3249 -6.3249 -5.6853 -5.6853 -5.6852 -5.6852 -5.3438 -5.3438 -5.3438 -5.3438 -5.0420 -5.0420 -5.0420 -5.0420 0.1934 0.1934 0.1935 0.1935 0.8751 0.8751 0.8753 0.8753 1.0552 1.0552 1.0554 1.0554 1.9736 1.9736 1.9739 1.9739 2.2861 2.2861 2.2863 2.2863 2.6400 2.6400 2.6403 2.6403 4.3067 4.3067 4.3067 4.3067 4.8486 4.8486 4.8486 4.8486 7.5699 7.5699 7.5699 7.5699 9.7323 9.7323 9.7323 9.7323 9.9839 9.9840 k = 0.0000 0.4277 0.2883 ( 6752 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3255 -6.3255 -6.3255 -6.3255 -5.6857 -5.6857 -5.6857 -5.6857 -5.3427 -5.3427 -5.3427 -5.3427 -5.0409 -5.0409 -5.0409 -5.0409 0.1853 0.1853 0.1855 0.1855 0.8734 0.8734 0.8736 0.8736 1.0516 1.0516 1.0519 1.0519 1.9760 1.9760 1.9762 1.9762 2.2843 2.2843 2.2845 2.2845 2.6399 2.6399 2.6402 2.6402 4.3445 4.3445 4.3446 4.3446 4.8598 4.8598 4.8598 4.8598 7.5081 7.5081 7.5082 7.5082 9.7545 9.7545 9.7546 9.7546 9.9948 9.9948 k = 0.0000 0.4277 0.3043 ( 6744 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3261 -6.3261 -6.3261 -6.3261 -5.6861 -5.6861 -5.6861 -5.6861 -5.3418 -5.3418 -5.3418 -5.3418 -5.0400 -5.0400 -5.0400 -5.0400 0.1789 0.1789 0.1790 0.1790 0.8720 0.8720 0.8722 0.8722 1.0490 1.0490 1.0492 1.0492 1.9779 1.9779 1.9781 1.9781 2.2829 2.2829 2.2831 2.2831 2.6398 2.6398 2.6401 2.6401 4.3741 4.3741 4.3741 4.3741 4.8705 4.8705 4.8706 4.8706 7.4578 7.4578 7.4578 7.4578 9.7740 9.7740 9.7740 9.7740 10.0018 10.0018 k = 0.0000 0.4277 0.3204 ( 6744 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3265 -6.3265 -6.3265 -6.3265 -5.6863 -5.6863 -5.6863 -5.6863 -5.3411 -5.3411 -5.3411 -5.3411 -5.0393 -5.0393 -5.0393 -5.0393 0.1741 0.1741 0.1743 0.1743 0.8710 0.8710 0.8712 0.8712 1.0471 1.0471 1.0473 1.0473 1.9792 1.9792 1.9794 1.9794 2.2819 2.2819 2.2821 2.2821 2.6397 2.6397 2.6400 2.6400 4.3951 4.3951 4.3951 4.3951 4.8796 4.8796 4.8796 4.8796 7.4205 7.4205 7.4205 7.4205 9.7895 9.7895 9.7895 9.7895 10.0054 10.0055 k = 0.0000 0.4277 0.3364 ( 6748 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3267 -6.3267 -6.3267 -6.3267 -5.6865 -5.6865 -5.6865 -5.6865 -5.3408 -5.3408 -5.3407 -5.3407 -5.0389 -5.0389 -5.0389 -5.0389 0.1713 0.1713 0.1714 0.1714 0.8704 0.8704 0.8706 0.8706 1.0460 1.0460 1.0462 1.0462 1.9800 1.9800 1.9802 1.9802 2.2813 2.2813 2.2815 2.2815 2.6397 2.6397 2.6400 2.6400 4.4076 4.4076 4.4076 4.4076 4.8856 4.8856 4.8856 4.8856 7.3975 7.3975 7.3975 7.3975 9.7995 9.7995 9.7996 9.7996 10.0068 10.0069 k = 0.0000 0.4277 0.3524 ( 6740 PWs) bands (ev): -21.5322 -21.5322 -21.5322 -21.5322 -6.3268 -6.3268 -6.3268 -6.3268 -5.6865 -5.6865 -5.6865 -5.6865 -5.3406 -5.3406 -5.3406 -5.3406 -5.0388 -5.0388 -5.0387 -5.0387 0.1703 0.1703 0.1705 0.1705 0.8702 0.8702 0.8704 0.8704 1.0456 1.0456 1.0458 1.0458 1.9803 1.9803 1.9805 1.9805 2.2811 2.2811 2.2813 2.2813 2.6397 2.6397 2.6400 2.6400 4.4117 4.4117 4.4118 4.4118 4.8877 4.8877 4.8877 4.8877 7.3897 7.3897 7.3898 7.3898 9.8031 9.8031 9.8031 9.8031 10.0071 10.0071 k = 0.5000-0.0000 0.3524 ( 6772 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3200 -6.3200 -6.2939 -6.2939 -5.7567 -5.7567 -5.6009 -5.6009 -5.4510 -5.4510 -5.3400 -5.3400 -5.3073 -5.3073 -4.7889 -4.7889 -0.2868 -0.2868 0.2465 0.2465 0.4543 0.4543 0.8725 0.8725 1.0249 1.0249 1.9369 1.9369 2.1286 2.1286 2.2630 2.2630 2.6534 2.6534 2.7077 2.7077 2.8720 2.8720 3.1165 3.1165 3.1687 3.1687 3.4719 3.4719 4.2664 4.2664 5.2579 5.2579 7.1487 7.1487 7.4415 7.4415 9.0773 9.0773 9.1047 9.1047 9.5405 9.5405 k = 0.5000-0.0000 0.3364 ( 6766 PWs) bands (ev): -21.5378 -21.5378 -21.5240 -21.5240 -6.3203 -6.3203 -6.2940 -6.2940 -5.7586 -5.7586 -5.5985 -5.5985 -5.4510 -5.4510 -5.3399 -5.3399 -5.3067 -5.3067 -4.7889 -4.7889 -0.2877 -0.2877 0.2460 0.2460 0.4540 0.4540 0.8714 0.8714 1.0250 1.0250 1.9363 1.9363 2.1279 2.1279 2.2631 2.2631 2.6466 2.6466 2.7170 2.7170 2.8722 2.8722 3.1197 3.1197 3.1691 3.1691 3.4692 3.4692 4.2699 4.2699 5.2566 5.2566 7.1490 7.1490 7.4422 7.4422 9.0696 9.0696 9.1054 9.1054 9.5277 9.5277 k = 0.5000-0.0000 0.3204 ( 6754 PWs) bands (ev): -21.5379 -21.5379 -21.5240 -21.5240 -6.3212 -6.3212 -6.2945 -6.2945 -5.7641 -5.7641 -5.5919 -5.5919 -5.4512 -5.4512 -5.3396 -5.3396 -5.3052 -5.3052 -4.7889 -4.7889 -0.2903 -0.2903 0.2445 0.2445 0.4530 0.4530 0.8682 0.8682 1.0251 1.0251 1.9345 1.9345 2.1258 2.1258 2.2635 2.2635 2.6335 2.6335 2.7377 2.7377 2.8731 2.8731 3.1288 3.1288 3.1709 3.1709 3.4615 3.4615 4.2799 4.2799 5.2529 5.2529 7.1499 7.1499 7.4443 7.4443 9.0486 9.0486 9.1056 9.1056 9.4908 9.4908 k = 0.5000-0.0000 0.3043 ( 6754 PWs) bands (ev): -21.5379 -21.5379 -21.5239 -21.5239 -6.3227 -6.3227 -6.2952 -6.2952 -5.7722 -5.7722 -5.5820 -5.5820 -5.4515 -5.4515 -5.3392 -5.3392 -5.3026 -5.3026 -4.7889 -4.7889 -0.2948 -0.2948 0.2420 0.2420 0.4513 0.4513 0.8630 0.8630 1.0252 1.0252 1.9315 1.9315 2.1226 2.1226 2.2641 2.2641 2.6202 2.6202 2.7621 2.7621 2.8753 2.8753 3.1411 3.1411 3.1762 3.1762 3.4497 3.4497 4.2958 4.2958 5.2467 5.2467 7.1514 7.1514 7.4481 7.4481 9.0165 9.0165 9.1035 9.1035 9.4343 9.4343 k = 0.5000-0.0000 0.2883 ( 6762 PWs) bands (ev): -21.5379 -21.5379 -21.5239 -21.5239 -6.3248 -6.3248 -6.2960 -6.2960 -5.7819 -5.7819 -5.5700 -5.5700 -5.4519 -5.4519 -5.3387 -5.3387 -5.2988 -5.2988 -4.7889 -4.7889 -0.3009 -0.3009 0.2385 0.2385 0.4491 0.4491 0.8561 0.8561 1.0255 1.0255 1.9274 1.9274 2.1185 2.1185 2.2649 2.2649 2.6085 2.6085 2.7865 2.7865 2.8801 2.8801 3.1505 3.1505 3.1905 3.1905 3.4354 3.4354 4.3166 4.3166 5.2380 5.2380 7.1530 7.1530 7.4536 7.4536 8.9741 8.9741 9.0982 9.0982 9.3643 9.3643 k = 0.5000-0.0000 0.2723 ( 6758 PWs) bands (ev): -21.5379 -21.5379 -21.5239 -21.5239 -6.3277 -6.3277 -6.2970 -6.2970 -5.7923 -5.7923 -5.5569 -5.5569 -5.4524 -5.4524 -5.3380 -5.3380 -5.2940 -5.2940 -4.7889 -4.7889 -0.3086 -0.3086 0.2341 0.2341 0.4462 0.4462 0.8478 0.8478 1.0259 1.0259 1.9223 1.9223 2.1141 2.1141 2.2661 2.2661 2.5985 2.5985 2.8073 2.8073 2.8895 2.8895 3.1542 3.1542 3.2158 3.2158 3.4206 3.4206 4.3412 4.3412 5.2267 5.2267 7.1546 7.1546 7.4611 7.4611 8.9226 8.9226 9.0873 9.0873 9.2886 9.2886 k = 0.5000-0.0000 0.2563 ( 6754 PWs) bands (ev): -21.5380 -21.5380 -21.5238 -21.5238 -6.3312 -6.3312 -6.2979 -6.2979 -5.8029 -5.8029 -5.5435 -5.5435 -5.4529 -5.4529 -5.3372 -5.3372 -5.2880 -5.2880 -4.7888 -4.7888 -0.3179 -0.3179 0.2289 0.2289 0.4429 0.4429 0.8385 0.8385 1.0264 1.0264 1.9163 1.9163 2.1096 2.1096 2.2675 2.2675 2.5903 2.5903 2.8216 2.8216 2.9048 2.9048 3.1550 3.1550 3.2480 3.2480 3.4080 3.4080 4.3686 4.3686 5.2130 5.2130 7.1560 7.1560 7.4709 7.4709 8.8631 8.8631 9.0638 9.0638 9.2189 9.2189 k = 0.5000-0.0000 0.2403 ( 6746 PWs) bands (ev): -21.5380 -21.5380 -21.5238 -21.5238 -6.3354 -6.3354 -6.2987 -6.2987 -5.8133 -5.8133 -5.5303 -5.5303 -5.4533 -5.4533 -5.3362 -5.3362 -5.2809 -5.2809 -4.7888 -4.7888 -0.3285 -0.3285 0.2230 0.2230 0.4391 0.4391 0.8285 0.8285 1.0271 1.0271 1.9097 1.9097 2.1053 2.1053 2.2692 2.2692 2.5836 2.5836 2.8297 2.8297 2.9237 2.9237 3.1547 3.1547 3.2832 3.2832 3.4013 3.4013 4.3976 4.3976 5.1968 5.1968 7.1567 7.1567 7.4831 7.4831 8.7971 8.7971 9.0157 9.0157 9.1709 9.1709 k = 0.5000-0.0000 0.2243 ( 6740 PWs) bands (ev): -21.5381 -21.5381 -21.5237 -21.5237 -6.3401 -6.3401 -6.2995 -6.2995 -5.8231 -5.8231 -5.5180 -5.5180 -5.4538 -5.4538 -5.3352 -5.3352 -5.2726 -5.2726 -4.7887 -4.7887 -0.3404 -0.3404 0.2164 0.2164 0.4349 0.4349 0.8183 0.8183 1.0279 1.0279 1.9027 1.9027 2.1013 2.1013 2.2712 2.2712 2.5782 2.5782 2.8338 2.8338 2.9416 2.9416 3.1543 3.1543 3.3166 3.3166 3.4064 3.4064 4.4273 4.4273 5.1782 5.1782 7.1567 7.1567 7.4977 7.4977 8.7257 8.7257 8.9440 8.9440 9.1468 9.1468 k = 0.5000-0.0000 0.2082 ( 6748 PWs) bands (ev): -21.5382 -21.5382 -21.5237 -21.5237 -6.3452 -6.3452 -6.3002 -6.3002 -5.8323 -5.8323 -5.5068 -5.5068 -5.4540 -5.4540 -5.3341 -5.3341 -5.2634 -5.2634 -4.7886 -4.7886 -0.3532 -0.3532 0.2094 0.2094 0.4305 0.4305 0.8082 0.8082 1.0289 1.0289 1.8953 1.8953 2.0978 2.0978 2.2735 2.2735 2.5739 2.5739 2.8358 2.8358 2.9543 2.9543 3.1544 3.1544 3.3431 3.3431 3.4296 3.4296 4.4569 4.4569 5.1572 5.1572 7.1560 7.1560 7.5146 7.5146 8.6505 8.6505 8.8629 8.8629 9.1344 9.1344 k = 0.5000-0.0000 0.1922 ( 6748 PWs) bands (ev): -21.5382 -21.5382 -21.5236 -21.5236 -6.3507 -6.3507 -6.3008 -6.3008 -5.8408 -5.8408 -5.4970 -5.4970 -5.4540 -5.4540 -5.3330 -5.3330 -5.2532 -5.2532 -4.7885 -4.7885 -0.3669 -0.3669 0.2020 0.2020 0.4260 0.4260 0.7984 0.7984 1.0300 1.0300 1.8880 1.8880 2.0949 2.0949 2.2761 2.2761 2.5705 2.5705 2.8368 2.8368 2.9591 2.9591 3.1554 3.1554 3.3652 3.3652 3.4688 3.4688 4.4856 4.4856 5.1340 5.1340 7.1544 7.1544 7.5337 7.5337 8.5731 8.5731 8.7810 8.7810 9.1269 9.1269 k = 0.5000-0.0000 0.1762 ( 6744 PWs) bands (ev): -21.5383 -21.5383 -21.5235 -21.5235 -6.3563 -6.3563 -6.3014 -6.3014 -5.8485 -5.8485 -5.4888 -5.4888 -5.4536 -5.4536 -5.3318 -5.3318 -5.2424 -5.2424 -4.7883 -4.7883 -0.3811 -0.3811 0.1943 0.1943 0.4214 0.4214 0.7891 0.7891 1.0311 1.0311 1.8807 1.8807 2.0924 2.0924 2.2789 2.2789 2.5678 2.5678 2.8372 2.8372 2.9557 2.9557 3.1572 3.1572 3.3898 3.3898 3.5163 3.5163 4.5128 4.5128 5.1090 5.1090 7.1521 7.1521 7.5545 7.5545 8.4951 8.4951 8.7018 8.7018 9.1214 9.1214 k = 0.5000-0.0000 0.1602 ( 6744 PWs) bands (ev): -21.5383 -21.5383 -21.5235 -21.5235 -6.3619 -6.3619 -6.3019 -6.3019 -5.8554 -5.8554 -5.4824 -5.4824 -5.4527 -5.4527 -5.3307 -5.3307 -5.2311 -5.2311 -4.7881 -4.7881 -0.3955 -0.3955 0.1867 0.1867 0.4169 0.4169 0.7806 0.7806 1.0323 1.0323 1.8738 1.8738 2.0903 2.0903 2.2819 2.2819 2.5658 2.5658 2.8373 2.8373 2.9455 2.9455 3.1593 3.1593 3.4194 3.4194 3.5675 3.5675 4.5377 4.5377 5.0823 5.0823 7.1492 7.1492 7.5766 7.5766 8.4184 8.4184 8.6268 8.6268 9.1171 9.1171 k = 0.5000-0.0000 0.1442 ( 6748 PWs) bands (ev): -21.5384 -21.5384 -21.5234 -21.5234 -6.3674 -6.3674 -6.3023 -6.3023 -5.8615 -5.8615 -5.4778 -5.4778 -5.4510 -5.4510 -5.3296 -5.3296 -5.2198 -5.2198 -4.7879 -4.7879 -0.4099 -0.4099 0.1792 0.1792 0.4126 0.4126 0.7729 0.7729 1.0335 1.0335 1.8672 1.8672 2.0887 2.0887 2.2850 2.2850 2.5644 2.5644 2.8371 2.8371 2.9307 2.9307 3.1612 3.1612 3.4533 3.4533 3.6201 3.6201 4.5597 4.5597 5.0546 5.0546 7.1461 7.1461 7.5994 7.5994 8.3446 8.3446 8.5570 8.5570 9.1134 9.1134 k = 0.5000-0.0000 0.1281 ( 6734 PWs) bands (ev): -21.5385 -21.5385 -21.5234 -21.5234 -6.3727 -6.3727 -6.3027 -6.3027 -5.8669 -5.8669 -5.4748 -5.4748 -5.4488 -5.4488 -5.3285 -5.3285 -5.2087 -5.2087 -4.7876 -4.7876 -0.4239 -0.4239 0.1719 0.1719 0.4086 0.4086 0.7660 0.7660 1.0348 1.0348 1.8612 1.8612 2.0873 2.0873 2.2883 2.2883 2.5634 2.5634 2.8368 2.8368 2.9134 2.9134 3.1629 3.1629 3.4899 3.4899 3.6728 3.6728 4.5783 4.5783 5.0267 5.0267 7.1427 7.1427 7.6223 7.6223 8.2752 8.2752 8.4928 8.4928 9.1103 9.1103 k = 0.5000-0.0000 0.1121 ( 6740 PWs) bands (ev): -21.5385 -21.5385 -21.5233 -21.5233 -6.3777 -6.3777 -6.3030 -6.3030 -5.8715 -5.8715 -5.4731 -5.4731 -5.4463 -5.4463 -5.3276 -5.3276 -5.1982 -5.1982 -4.7874 -4.7874 -0.4371 -0.4371 0.1651 0.1651 0.4049 0.4049 0.7601 0.7601 1.0359 1.0359 1.8558 1.8558 2.0863 2.0863 2.2915 2.2915 2.5628 2.5628 2.8362 2.8362 2.8952 2.8952 3.1642 3.1642 3.5272 3.5272 3.7245 3.7245 4.5929 4.5929 4.9993 4.9993 7.1393 7.1393 7.6447 7.6447 8.2113 8.2113 8.4346 8.4346 9.1076 9.1076 k = 0.5000-0.0000 0.0961 ( 6744 PWs) bands (ev): -21.5386 -21.5386 -21.5233 -21.5233 -6.3822 -6.3822 -6.3033 -6.3033 -5.8754 -5.8754 -5.4722 -5.4722 -5.4438 -5.4438 -5.3267 -5.3267 -5.1884 -5.1884 -4.7871 -4.7871 -0.4494 -0.4494 0.1589 0.1589 0.4016 0.4016 0.7550 0.7550 1.0370 1.0370 1.8510 1.8510 2.0855 2.0855 2.2947 2.2947 2.5626 2.5626 2.8352 2.8352 2.8778 2.8778 3.1652 3.1652 3.5633 3.5633 3.7740 3.7740 4.6028 4.6028 4.9736 4.9736 7.1362 7.1362 7.6658 7.6658 8.1541 8.1541 8.3830 8.3830 9.1053 9.1053 k = 0.5000-0.0000 0.0801 ( 6744 PWs) bands (ev): -21.5386 -21.5386 -21.5232 -21.5232 -6.3862 -6.3862 -6.3035 -6.3035 -5.8786 -5.8786 -5.4717 -5.4717 -5.4415 -5.4415 -5.3259 -5.3259 -5.1797 -5.1797 -4.7868 -4.7868 -0.4603 -0.4603 0.1535 0.1535 0.3987 0.3987 0.7507 0.7507 1.0380 1.0380 1.8469 1.8469 2.0850 2.0850 2.2977 2.2977 2.5626 2.5626 2.8334 2.8334 2.8625 2.8625 3.1659 3.1659 3.5967 3.5967 3.8204 3.8204 4.6080 4.6080 4.9508 4.9508 7.1333 7.1333 7.6851 7.6851 8.1043 8.1043 8.3384 8.3384 9.1033 9.1033 k = 0.5000-0.0000 0.0641 ( 6768 PWs) bands (ev): -21.5386 -21.5386 -21.5232 -21.5232 -6.3895 -6.3895 -6.3037 -6.3037 -5.8812 -5.8812 -5.4715 -5.4715 -5.4396 -5.4396 -5.3253 -5.3253 -5.1723 -5.1723 -4.7865 -4.7865 -0.4697 -0.4697 0.1488 0.1488 0.3963 0.3963 0.7473 0.7473 1.0389 1.0389 1.8435 1.8435 2.0845 2.0845 2.3003 2.3003 2.5628 2.5628 2.8294 2.8294 2.8513 2.8513 3.1665 3.1665 3.6260 3.6260 3.8622 3.8622 4.6086 4.6086 4.9318 4.9318 7.1308 7.1308 7.7020 7.7020 8.0626 8.0626 8.3012 8.3012 9.1017 9.1017 k = 0.5000-0.0000 0.0481 ( 6772 PWs) bands (ev): -21.5387 -21.5387 -21.5232 -21.5232 -6.3922 -6.3922 -6.3039 -6.3039 -5.8832 -5.8832 -5.4715 -5.4715 -5.4381 -5.4381 -5.3247 -5.3247 -5.1664 -5.1664 -4.7863 -4.7863 -0.4772 -0.4772 0.1451 0.1451 0.3945 0.3945 0.7447 0.7447 1.0396 1.0396 1.8409 1.8409 2.0842 2.0842 2.3025 2.3025 2.5631 2.5631 2.8229 2.8229 2.8455 2.8455 3.1668 3.1668 3.6500 3.6500 3.8978 3.8978 4.6057 4.6057 4.9173 4.9173 7.1288 7.1288 7.7157 7.7157 8.0296 8.0296 8.2718 8.2718 9.1004 9.1004 k = 0.5000-0.0000 0.0320 ( 6758 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3941 -6.3941 -6.3040 -6.3040 -5.8846 -5.8846 -5.4715 -5.4715 -5.4370 -5.4370 -5.3244 -5.3244 -5.1620 -5.1620 -4.7861 -4.7861 -0.4827 -0.4827 0.1424 0.1424 0.3931 0.3931 0.7429 0.7429 1.0401 1.0401 1.8390 1.8390 2.0840 2.0840 2.3042 2.3042 2.5634 2.5634 2.8160 2.8160 2.8430 2.8430 3.1671 3.1671 3.6678 3.6678 3.9253 3.9253 4.6012 4.6012 4.9074 4.9074 7.1274 7.1274 7.7260 7.7260 8.0057 8.0057 8.2506 8.2506 9.0995 9.0995 k = 0.5000-0.0000 0.0160 ( 6756 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3953 -6.3953 -6.3040 -6.3040 -5.8855 -5.8855 -5.4715 -5.4715 -5.4363 -5.4363 -5.3241 -5.3241 -5.1594 -5.1594 -4.7860 -4.7860 -0.4861 -0.4861 0.1408 0.1408 0.3923 0.3923 0.7418 0.7418 1.0404 1.0404 1.8379 1.8379 2.0839 2.0839 2.3053 2.3053 2.5636 2.5636 2.8113 2.8113 2.8421 2.8421 3.1673 3.1673 3.6787 3.6787 3.9428 3.9428 4.5972 4.5972 4.9017 4.9017 7.1265 7.1265 7.7323 7.7323 7.9912 7.9912 8.2377 8.2377 9.0989 9.0989 k = 0.5000-0.0000-0.0000 ( 6764 PWs) bands (ev): -21.5387 -21.5387 -21.5231 -21.5231 -6.3957 -6.3957 -6.3041 -6.3041 -5.8857 -5.8857 -5.4715 -5.4715 -5.4361 -5.4361 -5.3241 -5.3241 -5.1585 -5.1585 -4.7860 -4.7860 -0.4872 -0.4872 0.1403 0.1403 0.3921 0.3921 0.7414 0.7414 1.0405 1.0405 1.8375 1.8375 2.0839 2.0839 2.3056 2.3056 2.5637 2.5637 2.8096 2.8096 2.8418 2.8418 3.1673 3.1673 3.6824 3.6824 3.9488 3.9488 4.5956 4.5956 4.8998 4.8998 7.1263 7.1263 7.7344 7.7344 7.9863 7.9863 8.2334 8.2334 9.0987 9.0987 k = 0.5000 0.4277-0.0000 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2884 -6.2884 -6.2884 -6.2884 -5.5556 -5.5556 -5.5556 -5.5556 -5.3951 -5.3951 -5.3951 -5.3951 -5.2290 -5.2290 -5.2290 -5.2290 0.3558 0.3558 0.3560 0.3560 0.9252 0.9252 0.9254 0.9254 1.1812 1.1812 1.1813 1.1813 1.9318 1.9318 1.9320 1.9320 2.4685 2.4685 2.4687 2.4687 2.7975 2.7975 2.7977 2.7977 3.6539 3.6539 3.6539 3.6539 4.2075 4.2075 4.2076 4.2076 8.2101 8.2101 8.2101 8.2101 9.1333 9.1333 9.1333 9.1333 9.5513 9.5513 k = 0.5000 0.4277 0.0160 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2884 -6.2884 -6.2884 -6.2884 -5.5554 -5.5554 -5.5554 -5.5554 -5.3951 -5.3951 -5.3951 -5.3951 -5.2293 -5.2293 -5.2293 -5.2293 0.3552 0.3552 0.3554 0.3554 0.9251 0.9251 0.9254 0.9254 1.1806 1.1806 1.1807 1.1807 1.9322 1.9322 1.9324 1.9324 2.4683 2.4683 2.4685 2.4685 2.7974 2.7974 2.7976 2.7976 3.6573 3.6573 3.6574 3.6574 4.2086 4.2086 4.2087 4.2087 8.2021 8.2021 8.2021 8.2021 9.1200 9.1200 9.1201 9.1201 9.5614 9.5614 k = 0.5000 0.4277 0.0320 ( 6752 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2883 -6.2883 -6.2883 -6.2883 -5.5547 -5.5547 -5.5547 -5.5547 -5.3949 -5.3949 -5.3949 -5.3949 -5.2302 -5.2302 -5.2302 -5.2302 0.3532 0.3532 0.3534 0.3534 0.9251 0.9251 0.9253 0.9253 1.1787 1.1787 1.1789 1.1789 1.9334 1.9334 1.9336 1.9336 2.4679 2.4679 2.4681 2.4681 2.7970 2.7970 2.7972 2.7972 3.6676 3.6676 3.6677 3.6677 4.2119 4.2119 4.2119 4.2119 8.1788 8.1788 8.1789 8.1789 9.0816 9.0816 9.0817 9.0817 9.5905 9.5905 k = 0.5000 0.4277 0.0481 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2882 -6.2882 -6.2882 -6.2882 -5.5536 -5.5536 -5.5535 -5.5535 -5.3947 -5.3947 -5.3947 -5.3947 -5.2317 -5.2317 -5.2317 -5.2317 0.3499 0.3499 0.3501 0.3501 0.9249 0.9249 0.9252 0.9252 1.1758 1.1758 1.1759 1.1759 1.9352 1.9352 1.9354 1.9354 2.4672 2.4672 2.4674 2.4674 2.7964 2.7964 2.7966 2.7966 3.6845 3.6845 3.6845 3.6845 4.2174 4.2174 4.2175 4.2175 8.1423 8.1423 8.1424 8.1424 9.0213 9.0213 9.0213 9.0213 9.6359 9.6359 k = 0.5000 0.4277 0.0641 ( 6736 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2880 -6.2880 -6.2880 -6.2880 -5.5520 -5.5520 -5.5520 -5.5520 -5.3945 -5.3945 -5.3945 -5.3945 -5.2338 -5.2338 -5.2338 -5.2338 0.3455 0.3455 0.3457 0.3457 0.9247 0.9247 0.9250 0.9250 1.1718 1.1718 1.1720 1.1720 1.9377 1.9377 1.9379 1.9379 2.4663 2.4663 2.4665 2.4665 2.7955 2.7955 2.7958 2.7958 3.7075 3.7075 3.7075 3.7075 4.2253 4.2253 4.2253 4.2253 8.0951 8.0951 8.0952 8.0952 8.9429 8.9429 8.9429 8.9429 9.6943 9.6943 k = 0.5000 0.4277 0.0801 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2878 -6.2878 -6.2878 -6.2878 -5.5500 -5.5500 -5.5500 -5.5500 -5.3941 -5.3941 -5.3941 -5.3941 -5.2364 -5.2364 -5.2364 -5.2364 0.3399 0.3399 0.3401 0.3401 0.9245 0.9245 0.9247 0.9247 1.1670 1.1670 1.1672 1.1672 1.9408 1.9408 1.9410 1.9410 2.4651 2.4651 2.4653 2.4653 2.7946 2.7946 2.7948 2.7948 3.7361 3.7361 3.7361 3.7361 4.2355 4.2355 4.2356 4.2356 8.0400 8.0400 8.0401 8.0401 8.8501 8.8501 8.8501 8.8501 9.7626 9.7627 k = 0.5000 0.4277 0.0961 ( 6740 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2876 -6.2876 -6.2876 -6.2876 -5.5476 -5.5476 -5.5476 -5.5476 -5.3937 -5.3937 -5.3937 -5.3937 -5.2396 -5.2396 -5.2396 -5.2396 0.3334 0.3334 0.3336 0.3336 0.9242 0.9242 0.9245 0.9245 1.1616 1.1616 1.1617 1.1617 1.9442 1.9442 1.9444 1.9444 2.4638 2.4638 2.4640 2.4640 2.7935 2.7935 2.7938 2.7938 3.7695 3.7695 3.7696 3.7696 4.2484 4.2484 4.2485 4.2485 7.9796 7.9796 7.9796 7.9796 8.7463 8.7463 8.7464 8.7464 9.8384 9.8384 k = 0.5000 0.4277 0.1121 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2873 -6.2873 -6.2873 -6.2873 -5.5448 -5.5448 -5.5448 -5.5448 -5.3932 -5.3932 -5.3932 -5.3932 -5.2433 -5.2433 -5.2433 -5.2433 0.3259 0.3259 0.3261 0.3261 0.9239 0.9239 0.9241 0.9241 1.1557 1.1557 1.1558 1.1558 1.9480 1.9480 1.9482 1.9482 2.4623 2.4623 2.4625 2.4625 2.7925 2.7925 2.7927 2.7927 3.8070 3.8070 3.8070 3.8070 4.2642 4.2642 4.2642 4.2642 7.9158 7.9158 7.9158 7.9158 8.6346 8.6346 8.6346 8.6346 9.9191 9.9191 k = 0.5000 0.4277 0.1281 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2870 -6.2870 -6.2870 -6.2870 -5.5417 -5.5417 -5.5417 -5.5417 -5.3927 -5.3927 -5.3927 -5.3927 -5.2474 -5.2474 -5.2474 -5.2474 0.3178 0.3178 0.3180 0.3180 0.9236 0.9236 0.9238 0.9238 1.1495 1.1495 1.1497 1.1497 1.9519 1.9519 1.9521 1.9521 2.4608 2.4608 2.4610 2.4610 2.7914 2.7914 2.7916 2.7916 3.8473 3.8473 3.8473 3.8473 4.2831 4.2831 4.2831 4.2831 7.8504 7.8504 7.8505 7.8505 8.5174 8.5174 8.5174 8.5174 10.0029 10.0029 k = 0.5000 0.4277 0.1442 ( 6740 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2867 -6.2867 -6.2867 -6.2867 -5.5383 -5.5383 -5.5383 -5.5383 -5.3920 -5.3920 -5.3920 -5.3920 -5.2519 -5.2519 -5.2519 -5.2519 0.3091 0.3091 0.3093 0.3093 0.9232 0.9232 0.9235 0.9235 1.1432 1.1432 1.1434 1.1434 1.9559 1.9559 1.9561 1.9561 2.4591 2.4591 2.4593 2.4593 2.7903 2.7903 2.7905 2.7905 3.8892 3.8892 3.8892 3.8892 4.3057 4.3057 4.3057 4.3057 7.7849 7.7849 7.7849 7.7849 8.3970 8.3970 8.3971 8.3971 10.0880 10.0880 k = 0.5000 0.4277 0.1602 ( 6736 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2864 -6.2864 -6.2864 -6.2864 -5.5346 -5.5346 -5.5346 -5.5346 -5.3914 -5.3914 -5.3914 -5.3914 -5.2568 -5.2568 -5.2568 -5.2568 0.3001 0.3001 0.3003 0.3003 0.9229 0.9229 0.9231 0.9231 1.1370 1.1370 1.1372 1.1372 1.9600 1.9600 1.9602 1.9602 2.4575 2.4575 2.4577 2.4577 2.7893 2.7893 2.7895 2.7895 3.9313 3.9313 3.9313 3.9313 4.3323 4.3323 4.3323 4.3323 7.7203 7.7203 7.7204 7.7204 8.2754 8.2754 8.2755 8.2755 10.1727 10.1727 k = 0.5000 0.4277 0.1762 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2861 -6.2861 -6.2861 -6.2861 -5.5307 -5.5307 -5.5307 -5.5307 -5.3906 -5.3906 -5.3906 -5.3906 -5.2620 -5.2620 -5.2620 -5.2620 0.2909 0.2909 0.2911 0.2911 0.9225 0.9225 0.9227 0.9227 1.1310 1.1310 1.1312 1.1312 1.9639 1.9639 1.9641 1.9641 2.4558 2.4558 2.4560 2.4560 2.7883 2.7883 2.7886 2.7886 3.9722 3.9722 3.9723 3.9723 4.3633 4.3633 4.3634 4.3634 7.6576 7.6576 7.6576 7.6576 8.1544 8.1544 8.1544 8.1544 10.2557 10.2557 k = 0.5000 0.4277 0.1922 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2858 -6.2858 -6.2858 -6.2858 -5.5266 -5.5266 -5.5266 -5.5266 -5.3898 -5.3898 -5.3898 -5.3898 -5.2673 -5.2673 -5.2673 -5.2673 0.2818 0.2818 0.2820 0.2820 0.9222 0.9222 0.9224 0.9224 1.1253 1.1253 1.1254 1.1254 1.9676 1.9676 1.9678 1.9678 2.4542 2.4542 2.4544 2.4544 2.7875 2.7875 2.7877 2.7877 4.0106 4.0106 4.0106 4.0106 4.3990 4.3990 4.3991 4.3991 7.5974 7.5974 7.5975 7.5975 8.0356 8.0356 8.0357 8.0357 10.3353 10.3353 k = 0.5000 0.4277 0.2082 ( 6736 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2854 -6.2854 -6.2854 -6.2854 -5.5225 -5.5225 -5.5225 -5.5225 -5.3889 -5.3889 -5.3889 -5.3889 -5.2728 -5.2728 -5.2728 -5.2728 0.2728 0.2728 0.2730 0.2730 0.9218 0.9218 0.9221 0.9221 1.1199 1.1199 1.1201 1.1201 1.9712 1.9712 1.9714 1.9714 2.4526 2.4526 2.4528 2.4528 2.7867 2.7867 2.7869 2.7869 4.0454 4.0454 4.0455 4.0455 4.4391 4.4391 4.4392 4.4392 7.5404 7.5404 7.5404 7.5404 7.9208 7.9208 7.9209 7.9209 10.4100 10.4100 k = 0.5000 0.4277 0.2243 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2851 -6.2851 -6.2851 -6.2851 -5.5184 -5.5184 -5.5184 -5.5184 -5.3880 -5.3880 -5.3880 -5.3880 -5.2783 -5.2783 -5.2783 -5.2783 0.2643 0.2643 0.2645 0.2645 0.9215 0.9215 0.9217 0.9217 1.1151 1.1151 1.1152 1.1152 1.9744 1.9744 1.9746 1.9746 2.4512 2.4512 2.4514 2.4514 2.7860 2.7860 2.7863 2.7863 4.0761 4.0761 4.0761 4.0761 4.4828 4.4828 4.4829 4.4829 7.4869 7.4869 7.4869 7.4869 7.8118 7.8118 7.8118 7.8118 10.4782 10.4782 k = 0.5000 0.4277 0.2403 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2849 -6.2849 -6.2849 -6.2849 -5.5144 -5.5144 -5.5144 -5.5144 -5.3870 -5.3870 -5.3870 -5.3870 -5.2837 -5.2837 -5.2837 -5.2837 0.2563 0.2563 0.2565 0.2565 0.9212 0.9212 0.9215 0.9215 1.1107 1.1107 1.1109 1.1109 1.9774 1.9774 1.9776 1.9776 2.4498 2.4498 2.4500 2.4500 2.7854 2.7854 2.7857 2.7857 4.1024 4.1024 4.1024 4.1024 4.5287 4.5287 4.5287 4.5287 7.4372 7.4372 7.4372 7.4372 7.7104 7.7104 7.7105 7.7105 10.5378 10.5378 k = 0.5000 0.4277 0.2563 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2846 -6.2846 -6.2846 -6.2846 -5.5107 -5.5107 -5.5107 -5.5107 -5.3860 -5.3860 -5.3860 -5.3860 -5.2889 -5.2889 -5.2888 -5.2888 0.2490 0.2490 0.2492 0.2492 0.9210 0.9210 0.9212 0.9212 1.1069 1.1069 1.1071 1.1071 1.9800 1.9800 1.9802 1.9802 2.4486 2.4486 2.4488 2.4488 2.7849 2.7849 2.7852 2.7852 4.1245 4.1245 4.1245 4.1245 4.5750 4.5750 4.5750 4.5750 7.3912 7.3912 7.3913 7.3913 7.6189 7.6189 7.6189 7.6189 10.5871 10.5871 k = 0.5000 0.4277 0.2723 ( 6736 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2844 -6.2844 -6.2844 -6.2844 -5.5072 -5.5072 -5.5072 -5.5072 -5.3850 -5.3850 -5.3850 -5.3850 -5.2937 -5.2937 -5.2936 -5.2936 0.2426 0.2426 0.2428 0.2428 0.9208 0.9208 0.9210 0.9210 1.1036 1.1036 1.1038 1.1038 1.9823 1.9823 1.9825 1.9825 2.4476 2.4476 2.4478 2.4478 2.7845 2.7845 2.7847 2.7847 4.1426 4.1426 4.1427 4.1427 4.6194 4.6194 4.6195 4.6195 7.3490 7.3490 7.3490 7.3490 7.5395 7.5395 7.5396 7.5396 10.6252 10.6253 k = 0.5000 0.4277 0.2883 ( 6740 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2842 -6.2842 -6.2842 -6.2842 -5.5042 -5.5042 -5.5042 -5.5042 -5.3840 -5.3840 -5.3840 -5.3840 -5.2979 -5.2979 -5.2979 -5.2979 0.2372 0.2372 0.2374 0.2374 0.9206 0.9206 0.9208 0.9208 1.1009 1.1009 1.1011 1.1011 1.9841 1.9841 1.9843 1.9843 2.4467 2.4467 2.4469 2.4469 2.7842 2.7842 2.7844 2.7844 4.1571 4.1571 4.1571 4.1571 4.6600 4.6600 4.6600 4.6600 7.3104 7.3104 7.3104 7.3104 7.4745 7.4745 7.4746 7.4746 10.6533 10.6533 k = 0.5000 0.4277 0.3043 ( 6748 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2840 -6.2840 -6.2840 -6.2840 -5.5017 -5.5017 -5.5017 -5.5017 -5.3832 -5.3832 -5.3832 -5.3832 -5.3015 -5.3015 -5.3015 -5.3015 0.2329 0.2329 0.2331 0.2331 0.9204 0.9204 0.9207 0.9207 1.0988 1.0988 1.0990 1.0990 1.9856 1.9856 1.9858 1.9858 2.4460 2.4460 2.4462 2.4462 2.7839 2.7839 2.7842 2.7842 4.1681 4.1681 4.1681 4.1681 4.6943 4.6943 4.6943 4.6943 7.2762 7.2762 7.2763 7.2763 7.4253 7.4253 7.4253 7.4253 10.6732 10.6732 k = 0.5000 0.4277 0.3204 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2839 -6.2839 -6.2839 -6.2839 -5.4999 -5.4999 -5.4999 -5.4999 -5.3825 -5.3825 -5.3825 -5.3825 -5.3042 -5.3042 -5.3042 -5.3042 0.2298 0.2298 0.2300 0.2300 0.9203 0.9203 0.9206 0.9206 1.0973 1.0973 1.0975 1.0975 1.9866 1.9866 1.9869 1.9869 2.4455 2.4455 2.4457 2.4457 2.7837 2.7837 2.7840 2.7840 4.1759 4.1759 4.1759 4.1759 4.7205 4.7205 4.7205 4.7205 7.2486 7.2486 7.2486 7.2486 7.3917 7.3917 7.3918 7.3918 10.6865 10.6865 k = 0.5000 0.4277 0.3364 ( 6740 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2839 -6.2839 -6.2839 -6.2839 -5.4987 -5.4987 -5.4987 -5.4987 -5.3821 -5.3821 -5.3820 -5.3820 -5.3059 -5.3059 -5.3059 -5.3059 0.2279 0.2279 0.2281 0.2281 0.9203 0.9203 0.9205 0.9205 1.0964 1.0964 1.0966 1.0966 1.9873 1.9873 1.9875 1.9875 2.4452 2.4452 2.4454 2.4454 2.7836 2.7836 2.7839 2.7839 4.1805 4.1805 4.1805 4.1805 4.7369 4.7369 4.7370 4.7370 7.2304 7.2304 7.2305 7.2305 7.3725 7.3725 7.3725 7.3725 10.6943 10.6943 k = 0.5000 0.4277 0.3524 ( 6744 PWs) bands (ev): -21.5308 -21.5308 -21.5308 -21.5308 -6.2838 -6.2838 -6.2838 -6.2838 -5.4983 -5.4983 -5.4983 -5.4983 -5.3819 -5.3819 -5.3819 -5.3819 -5.3065 -5.3065 -5.3065 -5.3065 0.2273 0.2273 0.2274 0.2274 0.9202 0.9202 0.9205 0.9205 1.0961 1.0961 1.0963 1.0963 1.9875 1.9875 1.9877 1.9877 2.4451 2.4451 2.4453 2.4453 2.7836 2.7836 2.7838 2.7838 4.1820 4.1820 4.1820 4.1820 4.7425 4.7425 4.7426 4.7426 7.2241 7.2241 7.2241 7.2241 7.3662 7.3662 7.3663 7.3663 10.6968 10.6968 Writing output data file RbTeAu.save init_run : 0.51s CPU 0.69s WALL ( 1 calls) electrons : 501.68s CPU 507.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 501.67s CPU 507.00s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 332 calls) cegterg : 470.03s CPU 474.56s WALL ( 778 calls) Called by sum_band: Called by *egterg: h_psi : 226.23s CPU 230.26s WALL ( 13243 calls) s_psi : 12.77s CPU 12.79s WALL ( 13243 calls) g_psi : 0.30s CPU 0.34s WALL ( 12133 calls) cdiaghg : 210.36s CPU 210.79s WALL ( 12465 calls) cegterg:over : 18.95s CPU 19.03s WALL ( 12133 calls) cegterg:upda : 11.16s CPU 11.39s WALL ( 12133 calls) cegterg:last : 6.30s CPU 6.24s WALL ( 1774 calls) cdiaghg:chol : 7.84s CPU 8.03s WALL ( 12465 calls) cdiaghg:inve : 5.21s CPU 5.02s WALL ( 12465 calls) cdiaghg:para : 12.53s CPU 12.94s WALL ( 24930 calls) Called by h_psi: h_psi:vloc : 196.77s CPU 200.64s WALL ( 13243 calls) h_psi:vnl : 29.13s CPU 29.29s WALL ( 13243 calls) add_vuspsi : 15.28s CPU 15.31s WALL ( 13243 calls) General routines calbec : 13.81s CPU 13.94s WALL ( 13243 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 187.40s CPU 191.20s WALL ( 1334396 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 664 calls) Parallel routines fft_scatter : 144.66s CPU 148.24s WALL ( 1334419 calls) PWSCF : 9m 9.67s CPU 9m31.95s WALL This run was terminated on: 20:47: 9 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=