Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 20: 7:35 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: ./CsAuSe.save/ 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 51 39 10 2925 1905 274 Max 52 40 11 2934 1931 283 Sum 3729 2817 769 210941 138373 20043 bravais-lattice index = 14 lattice parameter (alat) = 10.5946 a.u. unit-cell volume = 1430.8448 (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 = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.594600 celldm(2)= 1.000000 celldm(3)= 1.223954 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.183360 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.183360 0.983046 0.000000 ) a(3) = ( 0.000000 0.000000 1.223954 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.186522 -0.000000 ) b(2) = ( 0.000000 1.017246 -0.000000 ) b(3) = ( 0.000000 0.000000 0.817024 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Au 11.00 196.96660 Au( 1.00) Cs 9.00 132.90550 Cs( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6119768 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6119768 ) 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0111191 0.0133848 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0222382 0.0267696 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0333573 0.0401545 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0444764 0.0535393 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0555955 0.0669241 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0667146 0.0803089 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0778337 0.0936938 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0889528 0.1070786 -0.0000000), wk = 0.0031646 k( 10) = ( 0.1000719 0.1204634 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1111910 0.1338482 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1223101 0.1472330 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1334292 0.1606179 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1445483 0.1740027 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1556674 0.1873875 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1667865 0.2007723 -0.0000000), wk = 0.0031646 k( 17) = ( 0.1779056 0.2141571 -0.0000000), wk = 0.0031646 k( 18) = ( 0.1890247 0.2275420 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2001438 0.2409268 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2112629 0.2543116 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2223820 0.2676964 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2335011 0.2810813 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2446202 0.2944661 -0.0000000), wk = 0.0031646 k( 24) = ( 0.2557393 0.3078509 -0.0000000), wk = 0.0031646 k( 25) = ( 0.2668584 0.3212357 -0.0000000), wk = 0.0031646 k( 26) = ( 0.2779775 0.3346206 -0.0000000), wk = 0.0031646 k( 27) = ( 0.2890966 0.3480054 -0.0000000), wk = 0.0031646 k( 28) = ( 0.3002157 0.3613902 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3113348 0.3747750 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3224539 0.3881598 -0.0000000), wk = 0.0031646 k( 31) = ( 0.3335730 0.4015447 -0.0000000), wk = 0.0031646 k( 32) = ( 0.3446921 0.4149295 -0.0000000), wk = 0.0031646 k( 33) = ( 0.3558113 0.4283143 -0.0000000), wk = 0.0031646 k( 34) = ( 0.3669304 0.4416991 -0.0000000), wk = 0.0031646 k( 35) = ( 0.3780495 0.4550840 -0.0000000), wk = 0.0031646 k( 36) = ( 0.3891686 0.4684688 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4002876 0.4818536 -0.0000000), wk = 0.0031646 k( 38) = ( 0.4114067 0.4952384 -0.0000000), wk = 0.0031646 k( 39) = ( 0.4225259 0.5086232 -0.0000000), wk = 0.0031646 k( 40) = ( 0.4225259 0.5086232 -0.0000000), wk = 0.0031646 k( 41) = ( 0.4049206 0.5086232 -0.0000000), wk = 0.0031646 k( 42) = ( 0.3873154 0.5086232 -0.0000000), wk = 0.0031646 k( 43) = ( 0.3697101 0.5086232 -0.0000000), wk = 0.0031646 k( 44) = ( 0.3521049 0.5086232 -0.0000000), wk = 0.0031646 k( 45) = ( 0.3344996 0.5086232 -0.0000000), wk = 0.0031646 k( 46) = ( 0.3168944 0.5086232 -0.0000000), wk = 0.0031646 k( 47) = ( 0.2992892 0.5086232 -0.0000000), wk = 0.0031646 k( 48) = ( 0.2816839 0.5086232 -0.0000000), wk = 0.0031646 k( 49) = ( 0.2640787 0.5086232 -0.0000000), wk = 0.0031646 k( 50) = ( 0.2464734 0.5086232 -0.0000000), wk = 0.0031646 k( 51) = ( 0.2288682 0.5086232 -0.0000000), wk = 0.0031646 k( 52) = ( 0.2112629 0.5086232 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1936577 0.5086232 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1760524 0.5086232 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1584472 0.5086232 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1408419 0.5086232 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1232367 0.5086232 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1056315 0.5086232 -0.0000000), wk = 0.0031646 k( 59) = ( 0.0880262 0.5086232 -0.0000000), wk = 0.0031646 k( 60) = ( 0.0704210 0.5086232 -0.0000000), wk = 0.0031646 k( 61) = ( 0.0528157 0.5086232 -0.0000000), wk = 0.0031646 k( 62) = ( 0.0352105 0.5086232 -0.0000000), wk = 0.0031646 k( 63) = ( 0.0176052 0.5086232 -0.0000000), wk = 0.0031646 k( 64) = ( 0.0000000 0.5086232 -0.0000000), wk = 0.0031646 k( 65) = ( 0.0000000 0.5086232 -0.0000000), wk = 0.0031646 k( 66) = ( 0.0000000 0.5086232 0.0177614), wk = 0.0031646 k( 67) = ( 0.0000000 0.5086232 0.0355228), wk = 0.0031646 k( 68) = ( 0.0000000 0.5086232 0.0532842), wk = 0.0031646 k( 69) = ( 0.0000000 0.5086232 0.0710456), wk = 0.0031646 k( 70) = ( 0.0000000 0.5086232 0.0888070), wk = 0.0031646 k( 71) = ( 0.0000000 0.5086232 0.1065684), wk = 0.0031646 k( 72) = ( 0.0000000 0.5086232 0.1243298), wk = 0.0031646 k( 73) = ( 0.0000000 0.5086232 0.1420912), wk = 0.0031646 k( 74) = ( 0.0000000 0.5086232 0.1598526), wk = 0.0031646 k( 75) = ( 0.0000000 0.5086232 0.1776140), wk = 0.0031646 k( 76) = ( 0.0000000 0.5086232 0.1953754), wk = 0.0031646 k( 77) = ( 0.0000000 0.5086232 0.2131368), wk = 0.0031646 k( 78) = ( 0.0000000 0.5086232 0.2308982), wk = 0.0031646 k( 79) = ( 0.0000000 0.5086232 0.2486596), wk = 0.0031646 k( 80) = ( 0.0000000 0.5086232 0.2664210), wk = 0.0031646 k( 81) = ( 0.0000000 0.5086232 0.2841824), wk = 0.0031646 k( 82) = ( 0.0000000 0.5086232 0.3019438), wk = 0.0031646 k( 83) = ( 0.0000000 0.5086232 0.3197052), wk = 0.0031646 k( 84) = ( 0.0000000 0.5086232 0.3374666), wk = 0.0031646 k( 85) = ( 0.0000000 0.5086232 0.3552280), wk = 0.0031646 k( 86) = ( 0.0000000 0.5086232 0.3729894), wk = 0.0031646 k( 87) = ( 0.0000000 0.5086232 0.3907508), wk = 0.0031646 k( 88) = ( 0.0000000 0.5086232 0.4085122), wk = 0.0031646 k( 89) = ( 0.0000000 0.5086232 0.4085122), wk = 0.0031646 k( 90) = ( 0.0176052 0.5086232 0.4085122), wk = 0.0031646 k( 91) = ( 0.0352105 0.5086232 0.4085122), wk = 0.0031646 k( 92) = ( 0.0528157 0.5086232 0.4085122), wk = 0.0031646 k( 93) = ( 0.0704210 0.5086232 0.4085122), wk = 0.0031646 k( 94) = ( 0.0880262 0.5086232 0.4085122), wk = 0.0031646 k( 95) = ( 0.1056315 0.5086232 0.4085122), wk = 0.0031646 k( 96) = ( 0.1232367 0.5086232 0.4085122), wk = 0.0031646 k( 97) = ( 0.1408419 0.5086232 0.4085122), wk = 0.0031646 k( 98) = ( 0.1584472 0.5086232 0.4085122), wk = 0.0031646 k( 99) = ( 0.1760524 0.5086232 0.4085122), wk = 0.0031646 k( 100) = ( 0.1936577 0.5086232 0.4085122), wk = 0.0031646 k( 101) = ( 0.2112629 0.5086232 0.4085122), wk = 0.0031646 k( 102) = ( 0.2288682 0.5086232 0.4085122), wk = 0.0031646 k( 103) = ( 0.2464734 0.5086232 0.4085122), wk = 0.0031646 k( 104) = ( 0.2640787 0.5086232 0.4085122), wk = 0.0031646 k( 105) = ( 0.2816839 0.5086232 0.4085122), wk = 0.0031646 k( 106) = ( 0.2992892 0.5086232 0.4085122), wk = 0.0031646 k( 107) = ( 0.3168944 0.5086232 0.4085122), wk = 0.0031646 k( 108) = ( 0.3344996 0.5086232 0.4085122), wk = 0.0031646 k( 109) = ( 0.3521049 0.5086232 0.4085122), wk = 0.0031646 k( 110) = ( 0.3697101 0.5086232 0.4085122), wk = 0.0031646 k( 111) = ( 0.3873154 0.5086232 0.4085122), wk = 0.0031646 k( 112) = ( 0.4049206 0.5086232 0.4085122), wk = 0.0031646 k( 113) = ( 0.4225259 0.5086232 0.4085122), wk = 0.0031646 k( 114) = ( 0.4225259 0.5086232 0.4085122), wk = 0.0031646 k( 115) = ( 0.4114067 0.4952384 0.4085122), wk = 0.0031646 k( 116) = ( 0.4002876 0.4818536 0.4085122), wk = 0.0031646 k( 117) = ( 0.3891686 0.4684688 0.4085122), wk = 0.0031646 k( 118) = ( 0.3780495 0.4550840 0.4085122), wk = 0.0031646 k( 119) = ( 0.3669304 0.4416991 0.4085122), wk = 0.0031646 k( 120) = ( 0.3558113 0.4283143 0.4085122), wk = 0.0031646 k( 121) = ( 0.3446921 0.4149295 0.4085122), wk = 0.0031646 k( 122) = ( 0.3335730 0.4015447 0.4085122), wk = 0.0031646 k( 123) = ( 0.3224539 0.3881598 0.4085122), wk = 0.0031646 k( 124) = ( 0.3113348 0.3747750 0.4085122), wk = 0.0031646 k( 125) = ( 0.3002157 0.3613902 0.4085122), wk = 0.0031646 k( 126) = ( 0.2890966 0.3480054 0.4085122), wk = 0.0031646 k( 127) = ( 0.2779775 0.3346206 0.4085122), wk = 0.0031646 k( 128) = ( 0.2668584 0.3212357 0.4085122), wk = 0.0031646 k( 129) = ( 0.2557393 0.3078509 0.4085122), wk = 0.0031646 k( 130) = ( 0.2446202 0.2944661 0.4085122), wk = 0.0031646 k( 131) = ( 0.2335011 0.2810813 0.4085122), wk = 0.0031646 k( 132) = ( 0.2223820 0.2676964 0.4085122), wk = 0.0031646 k( 133) = ( 0.2112629 0.2543116 0.4085122), wk = 0.0031646 k( 134) = ( 0.2001438 0.2409268 0.4085122), wk = 0.0031646 k( 135) = ( 0.1890247 0.2275420 0.4085122), wk = 0.0031646 k( 136) = ( 0.1779056 0.2141571 0.4085122), wk = 0.0031646 k( 137) = ( 0.1667865 0.2007723 0.4085122), wk = 0.0031646 k( 138) = ( 0.1556674 0.1873875 0.4085122), wk = 0.0031646 k( 139) = ( 0.1445483 0.1740027 0.4085122), wk = 0.0031646 k( 140) = ( 0.1334292 0.1606179 0.4085122), wk = 0.0031646 k( 141) = ( 0.1223101 0.1472330 0.4085122), wk = 0.0031646 k( 142) = ( 0.1111910 0.1338482 0.4085122), wk = 0.0031646 k( 143) = ( 0.1000719 0.1204634 0.4085122), wk = 0.0031646 k( 144) = ( 0.0889528 0.1070786 0.4085122), wk = 0.0031646 k( 145) = ( 0.0778337 0.0936938 0.4085122), wk = 0.0031646 k( 146) = ( 0.0667146 0.0803089 0.4085122), wk = 0.0031646 k( 147) = ( 0.0555955 0.0669241 0.4085122), wk = 0.0031646 k( 148) = ( 0.0444764 0.0535393 0.4085122), wk = 0.0031646 k( 149) = ( 0.0333573 0.0401545 0.4085122), wk = 0.0031646 k( 150) = ( 0.0222382 0.0267696 0.4085122), wk = 0.0031646 k( 151) = ( 0.0111191 0.0133848 0.4085122), wk = 0.0031646 k( 152) = ( 0.0000000 0.0000000 0.4085122), wk = 0.0031646 k( 153) = ( 0.0000000 0.0000000 0.4085122), wk = 0.0031646 k( 154) = ( 0.0000000 0.0000000 0.3907508), wk = 0.0031646 k( 155) = ( 0.0000000 0.0000000 0.3729894), wk = 0.0031646 k( 156) = ( 0.0000000 0.0000000 0.3552280), wk = 0.0031646 k( 157) = ( 0.0000000 0.0000000 0.3374666), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.3197052), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.3019438), wk = 0.0031646 k( 160) = ( 0.0000000 0.0000000 0.2841824), wk = 0.0031646 k( 161) = ( 0.0000000 0.0000000 0.2664210), wk = 0.0031646 k( 162) = ( 0.0000000 0.0000000 0.2486596), wk = 0.0031646 k( 163) = ( 0.0000000 0.0000000 0.2308982), wk = 0.0031646 k( 164) = ( 0.0000000 0.0000000 0.2131368), wk = 0.0031646 k( 165) = ( 0.0000000 0.0000000 0.1953754), wk = 0.0031646 k( 166) = ( 0.0000000 0.0000000 0.1776140), wk = 0.0031646 k( 167) = ( 0.0000000 0.0000000 0.1598526), wk = 0.0031646 k( 168) = ( 0.0000000 0.0000000 0.1420912), wk = 0.0031646 k( 169) = ( 0.0000000 0.0000000 0.1243298), wk = 0.0031646 k( 170) = ( 0.0000000 0.0000000 0.1065684), wk = 0.0031646 k( 171) = ( 0.0000000 0.0000000 0.0888070), wk = 0.0031646 k( 172) = ( 0.0000000 0.0000000 0.0710456), wk = 0.0031646 k( 173) = ( 0.0000000 0.0000000 0.0532842), wk = 0.0031646 k( 174) = ( 0.0000000 0.0000000 0.0355228), wk = 0.0031646 k( 175) = ( 0.0000000 0.0000000 0.0177614), wk = 0.0031646 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 178) = ( -0.0135135 0.0112260 0.0000000), wk = 0.0031646 k( 179) = ( -0.0270270 0.0224520 0.0000000), wk = 0.0031646 k( 180) = ( -0.0405405 0.0336780 0.0000000), wk = 0.0031646 k( 181) = ( -0.0540540 0.0449040 0.0000000), wk = 0.0031646 k( 182) = ( -0.0675676 0.0561300 0.0000000), wk = 0.0031646 k( 183) = ( -0.0810811 0.0673561 0.0000000), wk = 0.0031646 k( 184) = ( -0.0945946 0.0785821 0.0000000), wk = 0.0031646 k( 185) = ( -0.1081081 0.0898081 0.0000000), wk = 0.0031646 k( 186) = ( -0.1216216 0.1010341 0.0000000), wk = 0.0031646 k( 187) = ( -0.1351351 0.1122601 0.0000000), wk = 0.0031646 k( 188) = ( -0.1486486 0.1234861 0.0000000), wk = 0.0031646 k( 189) = ( -0.1621622 0.1347121 0.0000000), wk = 0.0031646 k( 190) = ( -0.1756757 0.1459381 0.0000000), wk = 0.0031646 k( 191) = ( -0.1891892 0.1571641 0.0000000), wk = 0.0031646 k( 192) = ( -0.2027027 0.1683901 0.0000000), wk = 0.0031646 k( 193) = ( -0.2162162 0.1796161 0.0000000), wk = 0.0031646 k( 194) = ( -0.2297297 0.1908421 0.0000000), wk = 0.0031646 k( 195) = ( -0.2432432 0.2020682 0.0000000), wk = 0.0031646 k( 196) = ( -0.2567568 0.2132942 0.0000000), wk = 0.0031646 k( 197) = ( -0.2702703 0.2245202 0.0000000), wk = 0.0031646 k( 198) = ( -0.2837838 0.2357462 0.0000000), wk = 0.0031646 k( 199) = ( -0.2972973 0.2469722 0.0000000), wk = 0.0031646 k( 200) = ( -0.3108108 0.2581982 0.0000000), wk = 0.0031646 k( 201) = ( -0.3243243 0.2694242 0.0000000), wk = 0.0031646 k( 202) = ( -0.3378378 0.2806502 0.0000000), wk = 0.0031646 k( 203) = ( -0.3513514 0.2918762 0.0000000), wk = 0.0031646 k( 204) = ( -0.3648649 0.3031022 0.0000000), wk = 0.0031646 k( 205) = ( -0.3783784 0.3143282 0.0000000), wk = 0.0031646 k( 206) = ( -0.3918919 0.3255542 0.0000000), wk = 0.0031646 k( 207) = ( -0.4054054 0.3367803 0.0000000), wk = 0.0031646 k( 208) = ( -0.4189189 0.3480063 0.0000000), wk = 0.0031646 k( 209) = ( -0.4324324 0.3592323 0.0000000), wk = 0.0031646 k( 210) = ( -0.4459459 0.3704583 0.0000000), wk = 0.0031646 k( 211) = ( -0.4594595 0.3816843 0.0000000), wk = 0.0031646 k( 212) = ( -0.4729730 0.3929103 0.0000000), wk = 0.0031646 k( 213) = ( -0.4864865 0.4041363 0.0000000), wk = 0.0031646 k( 214) = ( -0.5000000 0.4153623 0.0000000), wk = 0.0031646 k( 215) = ( -0.5000000 0.4153623 0.0000000), wk = 0.0031646 k( 216) = ( -0.4889323 0.4286853 -0.0000000), wk = 0.0031646 k( 217) = ( -0.4778645 0.4420083 -0.0000000), wk = 0.0031646 k( 218) = ( -0.4667968 0.4553313 -0.0000000), wk = 0.0031646 k( 219) = ( -0.4557291 0.4686543 -0.0000000), wk = 0.0031646 k( 220) = ( -0.4446613 0.4819773 -0.0000000), wk = 0.0031646 k( 221) = ( -0.4335936 0.4953003 -0.0000000), wk = 0.0031646 k( 222) = ( -0.4225259 0.5086232 -0.0000000), wk = 0.0031646 k( 223) = ( -0.4225259 0.5086232 -0.0000000), wk = 0.0031646 k( 224) = ( -0.4225259 0.5086232 0.0177614), wk = 0.0031646 k( 225) = ( -0.4225259 0.5086232 0.0355228), wk = 0.0031646 k( 226) = ( -0.4225259 0.5086232 0.0532842), wk = 0.0031646 k( 227) = ( -0.4225259 0.5086232 0.0710456), wk = 0.0031646 k( 228) = ( -0.4225259 0.5086232 0.0888070), wk = 0.0031646 k( 229) = ( -0.4225259 0.5086232 0.1065684), wk = 0.0031646 k( 230) = ( -0.4225259 0.5086232 0.1243298), wk = 0.0031646 k( 231) = ( -0.4225259 0.5086232 0.1420912), wk = 0.0031646 k( 232) = ( -0.4225259 0.5086232 0.1598526), wk = 0.0031646 k( 233) = ( -0.4225259 0.5086232 0.1776140), wk = 0.0031646 k( 234) = ( -0.4225259 0.5086232 0.1953754), wk = 0.0031646 k( 235) = ( -0.4225259 0.5086232 0.2131368), wk = 0.0031646 k( 236) = ( -0.4225259 0.5086232 0.2308982), wk = 0.0031646 k( 237) = ( -0.4225259 0.5086232 0.2486596), wk = 0.0031646 k( 238) = ( -0.4225259 0.5086232 0.2664210), wk = 0.0031646 k( 239) = ( -0.4225259 0.5086232 0.2841824), wk = 0.0031646 k( 240) = ( -0.4225259 0.5086232 0.3019438), wk = 0.0031646 k( 241) = ( -0.4225259 0.5086232 0.3197052), wk = 0.0031646 k( 242) = ( -0.4225259 0.5086232 0.3374666), wk = 0.0031646 k( 243) = ( -0.4225259 0.5086232 0.3552280), wk = 0.0031646 k( 244) = ( -0.4225259 0.5086232 0.3729894), wk = 0.0031646 k( 245) = ( -0.4225259 0.5086232 0.3907508), wk = 0.0031646 k( 246) = ( -0.4225259 0.5086232 0.4085122), wk = 0.0031646 k( 247) = ( -0.4225259 0.5086232 0.4085122), wk = 0.0031646 k( 248) = ( -0.4335936 0.4953003 0.4085122), wk = 0.0031646 k( 249) = ( -0.4446613 0.4819773 0.4085122), wk = 0.0031646 k( 250) = ( -0.4557291 0.4686543 0.4085122), wk = 0.0031646 k( 251) = ( -0.4667968 0.4553313 0.4085122), wk = 0.0031646 k( 252) = ( -0.4778645 0.4420083 0.4085122), wk = 0.0031646 k( 253) = ( -0.4889323 0.4286853 0.4085122), wk = 0.0031646 k( 254) = ( -0.5000000 0.4153623 0.4085122), wk = 0.0031646 k( 255) = ( -0.5000000 0.4153623 0.4085122), wk = 0.0031646 k( 256) = ( -0.5000000 0.4153623 0.3907508), wk = 0.0031646 k( 257) = ( -0.5000000 0.4153623 0.3729894), wk = 0.0031646 k( 258) = ( -0.5000000 0.4153623 0.3552280), wk = 0.0031646 k( 259) = ( -0.5000000 0.4153623 0.3374666), wk = 0.0031646 k( 260) = ( -0.5000000 0.4153623 0.3197052), wk = 0.0031646 k( 261) = ( -0.5000000 0.4153623 0.3019438), wk = 0.0031646 k( 262) = ( -0.5000000 0.4153623 0.2841824), wk = 0.0031646 k( 263) = ( -0.5000000 0.4153623 0.2664210), wk = 0.0031646 k( 264) = ( -0.5000000 0.4153623 0.2486596), wk = 0.0031646 k( 265) = ( -0.5000000 0.4153623 0.2308982), wk = 0.0031646 k( 266) = ( -0.5000000 0.4153623 0.2131368), wk = 0.0031646 k( 267) = ( -0.5000000 0.4153623 0.1953754), wk = 0.0031646 k( 268) = ( -0.5000000 0.4153623 0.1776140), wk = 0.0031646 k( 269) = ( -0.5000000 0.4153623 0.1598526), wk = 0.0031646 k( 270) = ( -0.5000000 0.4153623 0.1420912), wk = 0.0031646 k( 271) = ( -0.5000000 0.4153623 0.1243298), wk = 0.0031646 k( 272) = ( -0.5000000 0.4153623 0.1065684), wk = 0.0031646 k( 273) = ( -0.5000000 0.4153623 0.0888070), wk = 0.0031646 k( 274) = ( -0.5000000 0.4153623 0.0710456), wk = 0.0031646 k( 275) = ( -0.5000000 0.4153623 0.0532842), wk = 0.0031646 k( 276) = ( -0.5000000 0.4153623 0.0355228), wk = 0.0031646 k( 277) = ( -0.5000000 0.4153623 0.0177614), wk = 0.0031646 k( 278) = ( -0.5000000 0.4153623 0.0000000), wk = 0.0031646 k( 279) = ( 0.0000000 0.0000000 0.4085122), wk = 0.0031646 k( 280) = ( -0.0135135 0.0112260 0.4085122), wk = 0.0031646 k( 281) = ( -0.0270270 0.0224520 0.4085122), wk = 0.0031646 k( 282) = ( -0.0405405 0.0336780 0.4085122), wk = 0.0031646 k( 283) = ( -0.0540540 0.0449040 0.4085122), wk = 0.0031646 k( 284) = ( -0.0675676 0.0561300 0.4085122), wk = 0.0031646 k( 285) = ( -0.0810811 0.0673561 0.4085122), wk = 0.0031646 k( 286) = ( -0.0945946 0.0785821 0.4085122), wk = 0.0031646 k( 287) = ( -0.1081081 0.0898081 0.4085122), wk = 0.0031646 k( 288) = ( -0.1216216 0.1010341 0.4085122), wk = 0.0031646 k( 289) = ( -0.1351351 0.1122601 0.4085122), wk = 0.0031646 k( 290) = ( -0.1486486 0.1234861 0.4085122), wk = 0.0031646 k( 291) = ( -0.1621622 0.1347121 0.4085122), wk = 0.0031646 k( 292) = ( -0.1756757 0.1459381 0.4085122), wk = 0.0031646 k( 293) = ( -0.1891892 0.1571641 0.4085122), wk = 0.0031646 k( 294) = ( -0.2027027 0.1683901 0.4085122), wk = 0.0031646 k( 295) = ( -0.2162162 0.1796161 0.4085122), wk = 0.0031646 k( 296) = ( -0.2297297 0.1908421 0.4085122), wk = 0.0031646 k( 297) = ( -0.2432432 0.2020682 0.4085122), wk = 0.0031646 k( 298) = ( -0.2567568 0.2132942 0.4085122), wk = 0.0031646 k( 299) = ( -0.2702703 0.2245202 0.4085122), wk = 0.0031646 k( 300) = ( -0.2837838 0.2357462 0.4085122), wk = 0.0031646 k( 301) = ( -0.2972973 0.2469722 0.4085122), wk = 0.0031646 k( 302) = ( -0.3108108 0.2581982 0.4085122), wk = 0.0031646 k( 303) = ( -0.3243243 0.2694242 0.4085122), wk = 0.0031646 k( 304) = ( -0.3378378 0.2806502 0.4085122), wk = 0.0031646 k( 305) = ( -0.3513514 0.2918762 0.4085122), wk = 0.0031646 k( 306) = ( -0.3648649 0.3031022 0.4085122), wk = 0.0031646 k( 307) = ( -0.3783784 0.3143282 0.4085122), wk = 0.0031646 k( 308) = ( -0.3918919 0.3255542 0.4085122), wk = 0.0031646 k( 309) = ( -0.4054054 0.3367803 0.4085122), wk = 0.0031646 k( 310) = ( -0.4189189 0.3480063 0.4085122), wk = 0.0031646 k( 311) = ( -0.4324324 0.3592323 0.4085122), wk = 0.0031646 k( 312) = ( -0.4459459 0.3704583 0.4085122), wk = 0.0031646 k( 313) = ( -0.4594595 0.3816843 0.4085122), wk = 0.0031646 k( 314) = ( -0.4729730 0.3929103 0.4085122), wk = 0.0031646 k( 315) = ( -0.4864865 0.4041363 0.4085122), wk = 0.0031646 k( 316) = ( -0.5000000 0.4153623 0.4085122), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0111191 0.0111191 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0222382 0.0222382 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0333573 0.0333573 0.0000000), wk = 0.0031646 k( 5) = ( 0.0444764 0.0444764 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0555955 0.0555955 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0667146 0.0667146 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0778337 0.0778337 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0889528 0.0889528 0.0000000), wk = 0.0031646 k( 10) = ( 0.1000719 0.1000719 -0.0000000), wk = 0.0031646 k( 11) = ( 0.1111910 0.1111910 -0.0000000), wk = 0.0031646 k( 12) = ( 0.1223101 0.1223101 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1334292 0.1334292 -0.0000000), wk = 0.0031646 k( 14) = ( 0.1445483 0.1445483 0.0000000), wk = 0.0031646 k( 15) = ( 0.1556674 0.1556674 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1667865 0.1667865 0.0000000), wk = 0.0031646 k( 17) = ( 0.1779056 0.1779056 0.0000000), wk = 0.0031646 k( 18) = ( 0.1890247 0.1890247 -0.0000000), wk = 0.0031646 k( 19) = ( 0.2001438 0.2001438 -0.0000000), wk = 0.0031646 k( 20) = ( 0.2112629 0.2112629 -0.0000000), wk = 0.0031646 k( 21) = ( 0.2223820 0.2223820 -0.0000000), wk = 0.0031646 k( 22) = ( 0.2335011 0.2335011 -0.0000000), wk = 0.0031646 k( 23) = ( 0.2446202 0.2446202 -0.0000000), wk = 0.0031646 k( 24) = ( 0.2557393 0.2557393 -0.0000000), wk = 0.0031646 k( 25) = ( 0.2668584 0.2668584 -0.0000000), wk = 0.0031646 k( 26) = ( 0.2779775 0.2779775 -0.0000000), wk = 0.0031646 k( 27) = ( 0.2890966 0.2890966 0.0000000), wk = 0.0031646 k( 28) = ( 0.3002157 0.3002157 -0.0000000), wk = 0.0031646 k( 29) = ( 0.3113348 0.3113348 -0.0000000), wk = 0.0031646 k( 30) = ( 0.3224539 0.3224539 0.0000000), wk = 0.0031646 k( 31) = ( 0.3335730 0.3335730 0.0000000), wk = 0.0031646 k( 32) = ( 0.3446921 0.3446922 0.0000000), wk = 0.0031646 k( 33) = ( 0.3558113 0.3558113 0.0000000), wk = 0.0031646 k( 34) = ( 0.3669304 0.3669304 -0.0000000), wk = 0.0031646 k( 35) = ( 0.3780495 0.3780495 -0.0000000), wk = 0.0031646 k( 36) = ( 0.3891686 0.3891686 -0.0000000), wk = 0.0031646 k( 37) = ( 0.4002876 0.4002877 0.0000000), wk = 0.0031646 k( 38) = ( 0.4114067 0.4114067 -0.0000000), wk = 0.0031646 k( 39) = ( 0.4225259 0.4225259 -0.0000000), wk = 0.0031646 k( 40) = ( 0.4225259 0.4225259 -0.0000000), wk = 0.0031646 k( 41) = ( 0.4049206 0.4257539 -0.0000000), wk = 0.0031646 k( 42) = ( 0.3873154 0.4289820 0.0000000), wk = 0.0031646 k( 43) = ( 0.3697101 0.4322101 -0.0000000), wk = 0.0031646 k( 44) = ( 0.3521049 0.4354382 -0.0000000), wk = 0.0031646 k( 45) = ( 0.3344996 0.4386663 -0.0000000), wk = 0.0031646 k( 46) = ( 0.3168944 0.4418944 -0.0000000), wk = 0.0031646 k( 47) = ( 0.2992892 0.4451225 -0.0000000), wk = 0.0031646 k( 48) = ( 0.2816839 0.4483506 -0.0000000), wk = 0.0031646 k( 49) = ( 0.2640787 0.4515787 -0.0000000), wk = 0.0031646 k( 50) = ( 0.2464734 0.4548068 -0.0000000), wk = 0.0031646 k( 51) = ( 0.2288682 0.4580348 0.0000000), wk = 0.0031646 k( 52) = ( 0.2112629 0.4612629 0.0000000), wk = 0.0031646 k( 53) = ( 0.1936577 0.4644910 0.0000000), wk = 0.0031646 k( 54) = ( 0.1760524 0.4677191 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1584472 0.4709472 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1408419 0.4741753 0.0000000), wk = 0.0031646 k( 57) = ( 0.1232367 0.4774034 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1056315 0.4806315 0.0000000), wk = 0.0031646 k( 59) = ( 0.0880262 0.4838596 -0.0000000), wk = 0.0031646 k( 60) = ( 0.0704210 0.4870876 0.0000000), wk = 0.0031646 k( 61) = ( 0.0528157 0.4903157 -0.0000000), wk = 0.0031646 k( 62) = ( 0.0352105 0.4935438 0.0000000), wk = 0.0031646 k( 63) = ( 0.0176052 0.4967719 0.0000000), wk = 0.0031646 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0031646 k( 67) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0031646 k( 68) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0031646 k( 69) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0031646 k( 70) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0031646 k( 71) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0031646 k( 72) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0031646 k( 73) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0031646 k( 74) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0031646 k( 75) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0031646 k( 76) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0031646 k( 77) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0031646 k( 78) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0031646 k( 79) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0031646 k( 80) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0031646 k( 81) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0031646 k( 82) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0031646 k( 83) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0031646 k( 84) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0031646 k( 85) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0031646 k( 86) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0031646 k( 87) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0031646 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 90) = ( 0.0176052 0.4967719 0.5000000), wk = 0.0031646 k( 91) = ( 0.0352105 0.4935438 0.5000000), wk = 0.0031646 k( 92) = ( 0.0528157 0.4903157 0.5000000), wk = 0.0031646 k( 93) = ( 0.0704210 0.4870876 0.5000000), wk = 0.0031646 k( 94) = ( 0.0880262 0.4838596 0.5000000), wk = 0.0031646 k( 95) = ( 0.1056315 0.4806315 0.5000000), wk = 0.0031646 k( 96) = ( 0.1232367 0.4774034 0.5000000), wk = 0.0031646 k( 97) = ( 0.1408419 0.4741753 0.5000000), wk = 0.0031646 k( 98) = ( 0.1584472 0.4709472 0.5000000), wk = 0.0031646 k( 99) = ( 0.1760524 0.4677191 0.5000000), wk = 0.0031646 k( 100) = ( 0.1936577 0.4644910 0.5000000), wk = 0.0031646 k( 101) = ( 0.2112629 0.4612629 0.5000000), wk = 0.0031646 k( 102) = ( 0.2288682 0.4580348 0.5000000), wk = 0.0031646 k( 103) = ( 0.2464734 0.4548068 0.5000000), wk = 0.0031646 k( 104) = ( 0.2640787 0.4515787 0.5000000), wk = 0.0031646 k( 105) = ( 0.2816839 0.4483506 0.5000000), wk = 0.0031646 k( 106) = ( 0.2992892 0.4451225 0.5000000), wk = 0.0031646 k( 107) = ( 0.3168944 0.4418944 0.5000000), wk = 0.0031646 k( 108) = ( 0.3344996 0.4386663 0.5000000), wk = 0.0031646 k( 109) = ( 0.3521049 0.4354382 0.5000000), wk = 0.0031646 k( 110) = ( 0.3697101 0.4322101 0.5000000), wk = 0.0031646 k( 111) = ( 0.3873154 0.4289820 0.5000000), wk = 0.0031646 k( 112) = ( 0.4049206 0.4257539 0.5000000), wk = 0.0031646 k( 113) = ( 0.4225259 0.4225259 0.5000000), wk = 0.0031646 k( 114) = ( 0.4225259 0.4225259 0.5000000), wk = 0.0031646 k( 115) = ( 0.4114067 0.4114067 0.5000000), wk = 0.0031646 k( 116) = ( 0.4002876 0.4002877 0.5000000), wk = 0.0031646 k( 117) = ( 0.3891686 0.3891686 0.5000000), wk = 0.0031646 k( 118) = ( 0.3780495 0.3780495 0.5000000), wk = 0.0031646 k( 119) = ( 0.3669304 0.3669304 0.5000000), wk = 0.0031646 k( 120) = ( 0.3558113 0.3558113 0.5000000), wk = 0.0031646 k( 121) = ( 0.3446921 0.3446922 0.5000000), wk = 0.0031646 k( 122) = ( 0.3335730 0.3335730 0.5000000), wk = 0.0031646 k( 123) = ( 0.3224539 0.3224539 0.5000000), wk = 0.0031646 k( 124) = ( 0.3113348 0.3113348 0.5000000), wk = 0.0031646 k( 125) = ( 0.3002157 0.3002157 0.5000000), wk = 0.0031646 k( 126) = ( 0.2890966 0.2890966 0.5000000), wk = 0.0031646 k( 127) = ( 0.2779775 0.2779775 0.5000000), wk = 0.0031646 k( 128) = ( 0.2668584 0.2668584 0.5000000), wk = 0.0031646 k( 129) = ( 0.2557393 0.2557393 0.5000000), wk = 0.0031646 k( 130) = ( 0.2446202 0.2446202 0.5000000), wk = 0.0031646 k( 131) = ( 0.2335011 0.2335011 0.5000000), wk = 0.0031646 k( 132) = ( 0.2223820 0.2223820 0.5000000), wk = 0.0031646 k( 133) = ( 0.2112629 0.2112629 0.5000000), wk = 0.0031646 k( 134) = ( 0.2001438 0.2001438 0.5000000), wk = 0.0031646 k( 135) = ( 0.1890247 0.1890247 0.5000000), wk = 0.0031646 k( 136) = ( 0.1779056 0.1779056 0.5000000), wk = 0.0031646 k( 137) = ( 0.1667865 0.1667865 0.5000000), wk = 0.0031646 k( 138) = ( 0.1556674 0.1556674 0.5000000), wk = 0.0031646 k( 139) = ( 0.1445483 0.1445483 0.5000000), wk = 0.0031646 k( 140) = ( 0.1334292 0.1334292 0.5000000), wk = 0.0031646 k( 141) = ( 0.1223101 0.1223101 0.5000000), wk = 0.0031646 k( 142) = ( 0.1111910 0.1111910 0.5000000), wk = 0.0031646 k( 143) = ( 0.1000719 0.1000719 0.5000000), wk = 0.0031646 k( 144) = ( 0.0889528 0.0889528 0.5000000), wk = 0.0031646 k( 145) = ( 0.0778337 0.0778337 0.5000000), wk = 0.0031646 k( 146) = ( 0.0667146 0.0667146 0.5000000), wk = 0.0031646 k( 147) = ( 0.0555955 0.0555955 0.5000000), wk = 0.0031646 k( 148) = ( 0.0444764 0.0444764 0.5000000), wk = 0.0031646 k( 149) = ( 0.0333573 0.0333573 0.5000000), wk = 0.0031646 k( 150) = ( 0.0222382 0.0222382 0.5000000), wk = 0.0031646 k( 151) = ( 0.0111191 0.0111191 0.5000000), wk = 0.0031646 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 154) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031646 k( 155) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031646 k( 156) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031646 k( 157) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031646 k( 160) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031646 k( 161) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031646 k( 162) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031646 k( 163) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031646 k( 164) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031646 k( 165) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031646 k( 166) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031646 k( 167) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031646 k( 168) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031646 k( 169) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031646 k( 170) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031646 k( 171) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031646 k( 172) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031646 k( 173) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031646 k( 174) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031646 k( 175) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031646 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 178) = ( -0.0135135 0.0135135 0.0000000), wk = 0.0031646 k( 179) = ( -0.0270270 0.0270270 0.0000000), wk = 0.0031646 k( 180) = ( -0.0405405 0.0405405 0.0000000), wk = 0.0031646 k( 181) = ( -0.0540540 0.0540540 -0.0000000), wk = 0.0031646 k( 182) = ( -0.0675676 0.0675676 0.0000000), wk = 0.0031646 k( 183) = ( -0.0810811 0.0810811 0.0000000), wk = 0.0031646 k( 184) = ( -0.0945946 0.0945946 0.0000000), wk = 0.0031646 k( 185) = ( -0.1081081 0.1081081 0.0000000), wk = 0.0031646 k( 186) = ( -0.1216216 0.1216216 -0.0000000), wk = 0.0031646 k( 187) = ( -0.1351351 0.1351351 0.0000000), wk = 0.0031646 k( 188) = ( -0.1486486 0.1486486 0.0000000), wk = 0.0031646 k( 189) = ( -0.1621622 0.1621622 0.0000000), wk = 0.0031646 k( 190) = ( -0.1756757 0.1756757 0.0000000), wk = 0.0031646 k( 191) = ( -0.1891892 0.1891892 0.0000000), wk = 0.0031646 k( 192) = ( -0.2027027 0.2027027 0.0000000), wk = 0.0031646 k( 193) = ( -0.2162162 0.2162162 0.0000000), wk = 0.0031646 k( 194) = ( -0.2297297 0.2297297 0.0000000), wk = 0.0031646 k( 195) = ( -0.2432432 0.2432432 -0.0000000), wk = 0.0031646 k( 196) = ( -0.2567568 0.2567568 0.0000000), wk = 0.0031646 k( 197) = ( -0.2702703 0.2702703 -0.0000000), wk = 0.0031646 k( 198) = ( -0.2837838 0.2837838 0.0000000), wk = 0.0031646 k( 199) = ( -0.2972973 0.2972973 0.0000000), wk = 0.0031646 k( 200) = ( -0.3108108 0.3108108 -0.0000000), wk = 0.0031646 k( 201) = ( -0.3243243 0.3243243 0.0000000), wk = 0.0031646 k( 202) = ( -0.3378378 0.3378378 0.0000000), wk = 0.0031646 k( 203) = ( -0.3513514 0.3513514 0.0000000), wk = 0.0031646 k( 204) = ( -0.3648649 0.3648649 0.0000000), wk = 0.0031646 k( 205) = ( -0.3783784 0.3783784 0.0000000), wk = 0.0031646 k( 206) = ( -0.3918919 0.3918919 0.0000000), wk = 0.0031646 k( 207) = ( -0.4054054 0.4054054 0.0000000), wk = 0.0031646 k( 208) = ( -0.4189189 0.4189189 0.0000000), wk = 0.0031646 k( 209) = ( -0.4324324 0.4324324 0.0000000), wk = 0.0031646 k( 210) = ( -0.4459459 0.4459459 0.0000000), wk = 0.0031646 k( 211) = ( -0.4594595 0.4594595 0.0000000), wk = 0.0031646 k( 212) = ( -0.4729730 0.4729730 -0.0000000), wk = 0.0031646 k( 213) = ( -0.4864865 0.4864865 0.0000000), wk = 0.0031646 k( 214) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 215) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 216) = ( -0.4889323 0.5110677 0.0000000), wk = 0.0031646 k( 217) = ( -0.4778645 0.5221355 0.0000000), wk = 0.0031646 k( 218) = ( -0.4667968 0.5332032 0.0000000), wk = 0.0031646 k( 219) = ( -0.4557291 0.5442709 0.0000000), wk = 0.0031646 k( 220) = ( -0.4446613 0.5553387 0.0000000), wk = 0.0031646 k( 221) = ( -0.4335936 0.5664064 0.0000000), wk = 0.0031646 k( 222) = ( -0.4225259 0.5774741 -0.0000000), wk = 0.0031646 k( 223) = ( -0.4225259 0.5774741 -0.0000000), wk = 0.0031646 k( 224) = ( -0.4225259 0.5774741 0.0217391), wk = 0.0031646 k( 225) = ( -0.4225259 0.5774741 0.0434783), wk = 0.0031646 k( 226) = ( -0.4225259 0.5774741 0.0652174), wk = 0.0031646 k( 227) = ( -0.4225259 0.5774741 0.0869565), wk = 0.0031646 k( 228) = ( -0.4225259 0.5774741 0.1086957), wk = 0.0031646 k( 229) = ( -0.4225259 0.5774741 0.1304348), wk = 0.0031646 k( 230) = ( -0.4225259 0.5774741 0.1521739), wk = 0.0031646 k( 231) = ( -0.4225259 0.5774741 0.1739130), wk = 0.0031646 k( 232) = ( -0.4225259 0.5774741 0.1956522), wk = 0.0031646 k( 233) = ( -0.4225259 0.5774741 0.2173913), wk = 0.0031646 k( 234) = ( -0.4225259 0.5774741 0.2391304), wk = 0.0031646 k( 235) = ( -0.4225259 0.5774741 0.2608696), wk = 0.0031646 k( 236) = ( -0.4225259 0.5774741 0.2826087), wk = 0.0031646 k( 237) = ( -0.4225259 0.5774741 0.3043478), wk = 0.0031646 k( 238) = ( -0.4225259 0.5774741 0.3260870), wk = 0.0031646 k( 239) = ( -0.4225259 0.5774741 0.3478261), wk = 0.0031646 k( 240) = ( -0.4225259 0.5774741 0.3695652), wk = 0.0031646 k( 241) = ( -0.4225259 0.5774741 0.3913044), wk = 0.0031646 k( 242) = ( -0.4225259 0.5774741 0.4130435), wk = 0.0031646 k( 243) = ( -0.4225259 0.5774741 0.4347826), wk = 0.0031646 k( 244) = ( -0.4225259 0.5774741 0.4565217), wk = 0.0031646 k( 245) = ( -0.4225259 0.5774741 0.4782609), wk = 0.0031646 k( 246) = ( -0.4225259 0.5774741 0.5000000), wk = 0.0031646 k( 247) = ( -0.4225259 0.5774741 0.5000000), wk = 0.0031646 k( 248) = ( -0.4335936 0.5664064 0.5000000), wk = 0.0031646 k( 249) = ( -0.4446613 0.5553387 0.5000000), wk = 0.0031646 k( 250) = ( -0.4557291 0.5442709 0.5000000), wk = 0.0031646 k( 251) = ( -0.4667968 0.5332032 0.5000000), wk = 0.0031646 k( 252) = ( -0.4778645 0.5221355 0.5000000), wk = 0.0031646 k( 253) = ( -0.4889323 0.5110677 0.5000000), wk = 0.0031646 k( 254) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 255) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 256) = ( -0.5000000 0.5000000 0.4782609), wk = 0.0031646 k( 257) = ( -0.5000000 0.5000000 0.4565217), wk = 0.0031646 k( 258) = ( -0.5000000 0.5000000 0.4347826), wk = 0.0031646 k( 259) = ( -0.5000000 0.5000000 0.4130435), wk = 0.0031646 k( 260) = ( -0.5000000 0.5000000 0.3913044), wk = 0.0031646 k( 261) = ( -0.5000000 0.5000000 0.3695652), wk = 0.0031646 k( 262) = ( -0.5000000 0.5000000 0.3478261), wk = 0.0031646 k( 263) = ( -0.5000000 0.5000000 0.3260870), wk = 0.0031646 k( 264) = ( -0.5000000 0.5000000 0.3043478), wk = 0.0031646 k( 265) = ( -0.5000000 0.5000000 0.2826087), wk = 0.0031646 k( 266) = ( -0.5000000 0.5000000 0.2608696), wk = 0.0031646 k( 267) = ( -0.5000000 0.5000000 0.2391304), wk = 0.0031646 k( 268) = ( -0.5000000 0.5000000 0.2173913), wk = 0.0031646 k( 269) = ( -0.5000000 0.5000000 0.1956522), wk = 0.0031646 k( 270) = ( -0.5000000 0.5000000 0.1739130), wk = 0.0031646 k( 271) = ( -0.5000000 0.5000000 0.1521739), wk = 0.0031646 k( 272) = ( -0.5000000 0.5000000 0.1304348), wk = 0.0031646 k( 273) = ( -0.5000000 0.5000000 0.1086957), wk = 0.0031646 k( 274) = ( -0.5000000 0.5000000 0.0869565), wk = 0.0031646 k( 275) = ( -0.5000000 0.5000000 0.0652174), wk = 0.0031646 k( 276) = ( -0.5000000 0.5000000 0.0434783), wk = 0.0031646 k( 277) = ( -0.5000000 0.5000000 0.0217391), wk = 0.0031646 k( 278) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 279) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 280) = ( -0.0135135 0.0135135 0.5000000), wk = 0.0031646 k( 281) = ( -0.0270270 0.0270270 0.5000000), wk = 0.0031646 k( 282) = ( -0.0405405 0.0405405 0.5000000), wk = 0.0031646 k( 283) = ( -0.0540540 0.0540540 0.5000000), wk = 0.0031646 k( 284) = ( -0.0675676 0.0675676 0.5000000), wk = 0.0031646 k( 285) = ( -0.0810811 0.0810811 0.5000000), wk = 0.0031646 k( 286) = ( -0.0945946 0.0945946 0.5000000), wk = 0.0031646 k( 287) = ( -0.1081081 0.1081081 0.5000000), wk = 0.0031646 k( 288) = ( -0.1216216 0.1216216 0.5000000), wk = 0.0031646 k( 289) = ( -0.1351351 0.1351351 0.5000000), wk = 0.0031646 k( 290) = ( -0.1486486 0.1486486 0.5000000), wk = 0.0031646 k( 291) = ( -0.1621622 0.1621622 0.5000000), wk = 0.0031646 k( 292) = ( -0.1756757 0.1756757 0.5000000), wk = 0.0031646 k( 293) = ( -0.1891892 0.1891892 0.5000000), wk = 0.0031646 k( 294) = ( -0.2027027 0.2027027 0.5000000), wk = 0.0031646 k( 295) = ( -0.2162162 0.2162162 0.5000000), wk = 0.0031646 k( 296) = ( -0.2297297 0.2297297 0.5000000), wk = 0.0031646 k( 297) = ( -0.2432432 0.2432432 0.5000000), wk = 0.0031646 k( 298) = ( -0.2567568 0.2567568 0.5000000), wk = 0.0031646 k( 299) = ( -0.2702703 0.2702703 0.5000000), wk = 0.0031646 k( 300) = ( -0.2837838 0.2837838 0.5000000), wk = 0.0031646 k( 301) = ( -0.2972973 0.2972973 0.5000000), wk = 0.0031646 k( 302) = ( -0.3108108 0.3108108 0.5000000), wk = 0.0031646 k( 303) = ( -0.3243243 0.3243243 0.5000000), wk = 0.0031646 k( 304) = ( -0.3378378 0.3378378 0.5000000), wk = 0.0031646 k( 305) = ( -0.3513514 0.3513514 0.5000000), wk = 0.0031646 k( 306) = ( -0.3648649 0.3648649 0.5000000), wk = 0.0031646 k( 307) = ( -0.3783784 0.3783784 0.5000000), wk = 0.0031646 k( 308) = ( -0.3918919 0.3918919 0.5000000), wk = 0.0031646 k( 309) = ( -0.4054054 0.4054054 0.5000000), wk = 0.0031646 k( 310) = ( -0.4189189 0.4189189 0.5000000), wk = 0.0031646 k( 311) = ( -0.4324324 0.4324324 0.5000000), wk = 0.0031646 k( 312) = ( -0.4459459 0.4459459 0.5000000), wk = 0.0031646 k( 313) = ( -0.4594595 0.4594595 0.5000000), wk = 0.0031646 k( 314) = ( -0.4729730 0.4729730 0.5000000), wk = 0.0031646 k( 315) = ( -0.4864865 0.4864865 0.5000000), wk = 0.0031646 k( 316) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 210941 G-vectors FFT dimensions: ( 72, 72, 90) Smooth grid: 138373 G-vectors FFT dimensions: ( 64, 64, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 492, 62) NL pseudopotentials 0.83 Mb ( 246, 220) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2927) G-vector shells 0.01 Mb ( 1489) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.86 Mb ( 492, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.42 Mb ( 220, 2, 62) The potential is recalculated from file : ./CsAuSe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 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 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.7 secs Computing kpt #: 5 total cpu time spent up to now is 11.5 secs Computing kpt #: 6 total cpu time spent up to now is 13.3 secs Computing kpt #: 7 total cpu time spent up to now is 15.3 secs Computing kpt #: 8 total cpu time spent up to now is 17.1 secs Computing kpt #: 9 total cpu time spent up to now is 19.0 secs Computing kpt #: 10 total cpu time spent up to now is 21.0 secs Computing kpt #: 11 total cpu time spent up to now is 23.0 secs Computing kpt #: 12 total cpu time spent up to now is 25.1 secs Computing kpt #: 13 total cpu time spent up to now is 27.4 secs Computing kpt #: 14 total cpu time spent up to now is 29.7 secs Computing kpt #: 15 total cpu time spent up to now is 31.9 secs Computing kpt #: 16 total cpu time spent up to now is 34.0 secs Computing kpt #: 17 total cpu time spent up to now is 36.0 secs Computing kpt #: 18 total cpu time spent up to now is 37.9 secs Computing kpt #: 19 total cpu time spent up to now is 39.8 secs Computing kpt #: 20 total cpu time spent up to now is 41.7 secs Computing kpt #: 21 total cpu time spent up to now is 43.5 secs Computing kpt #: 22 total cpu time spent up to now is 45.4 secs Computing kpt #: 23 total cpu time spent up to now is 47.9 secs Computing kpt #: 24 total cpu time spent up to now is 49.5 secs Computing kpt #: 25 total cpu time spent up to now is 51.1 secs Computing kpt #: 26 total cpu time spent up to now is 52.8 secs Computing kpt #: 27 total cpu time spent up to now is 54.4 secs Computing kpt #: 28 total cpu time spent up to now is 56.0 secs Computing kpt #: 29 total cpu time spent up to now is 57.6 secs Computing kpt #: 30 total cpu time spent up to now is 59.3 secs Computing kpt #: 31 total cpu time spent up to now is 61.1 secs Computing kpt #: 32 total cpu time spent up to now is 62.9 secs Computing kpt #: 33 total cpu time spent up to now is 64.8 secs Computing kpt #: 34 total cpu time spent up to now is 66.6 secs Computing kpt #: 35 total cpu time spent up to now is 68.5 secs Computing kpt #: 36 total cpu time spent up to now is 70.4 secs Computing kpt #: 37 total cpu time spent up to now is 72.3 secs Computing kpt #: 38 total cpu time spent up to now is 74.2 secs Computing kpt #: 39 total cpu time spent up to now is 76.1 secs Computing kpt #: 40 total cpu time spent up to now is 78.0 secs Computing kpt #: 41 total cpu time spent up to now is 79.9 secs Computing kpt #: 42 total cpu time spent up to now is 81.8 secs Computing kpt #: 43 total cpu time spent up to now is 83.7 secs Computing kpt #: 44 total cpu time spent up to now is 85.6 secs Computing kpt #: 45 total cpu time spent up to now is 87.4 secs Computing kpt #: 46 total cpu time spent up to now is 89.2 secs Computing kpt #: 47 total cpu time spent up to now is 91.1 secs Computing kpt #: 48 total cpu time spent up to now is 92.9 secs Computing kpt #: 49 total cpu time spent up to now is 94.7 secs Computing kpt #: 50 total cpu time spent up to now is 96.4 secs Computing kpt #: 51 total cpu time spent up to now is 98.0 secs Computing kpt #: 52 total cpu time spent up to now is 99.7 secs Computing kpt #: 53 total cpu time spent up to now is 101.3 secs Computing kpt #: 54 total cpu time spent up to now is 102.9 secs Computing kpt #: 55 total cpu time spent up to now is 104.6 secs Computing kpt #: 56 total cpu time spent up to now is 106.3 secs Computing kpt #: 57 total cpu time spent up to now is 107.9 secs Computing kpt #: 58 total cpu time spent up to now is 109.6 secs Computing kpt #: 59 total cpu time spent up to now is 111.3 secs Computing kpt #: 60 total cpu time spent up to now is 112.9 secs Computing kpt #: 61 total cpu time spent up to now is 114.8 secs Computing kpt #: 62 total cpu time spent up to now is 116.6 secs Computing kpt #: 63 total cpu time spent up to now is 118.5 secs Computing kpt #: 64 total cpu time spent up to now is 120.3 secs Computing kpt #: 65 total cpu time spent up to now is 122.2 secs Computing kpt #: 66 total cpu time spent up to now is 124.0 secs Computing kpt #: 67 total cpu time spent up to now is 125.9 secs Computing kpt #: 68 total cpu time spent up to now is 127.8 secs Computing kpt #: 69 total cpu time spent up to now is 129.6 secs Computing kpt #: 70 total cpu time spent up to now is 131.5 secs Computing kpt #: 71 total cpu time spent up to now is 133.4 secs Computing kpt #: 72 total cpu time spent up to now is 135.3 secs Computing kpt #: 73 total cpu time spent up to now is 137.2 secs Computing kpt #: 74 total cpu time spent up to now is 139.1 secs Computing kpt #: 75 total cpu time spent up to now is 141.0 secs Computing kpt #: 76 total cpu time spent up to now is 142.9 secs Computing kpt #: 77 total cpu time spent up to now is 145.1 secs Computing kpt #: 78 total cpu time spent up to now is 147.0 secs Computing kpt #: 79 total cpu time spent up to now is 148.9 secs Computing kpt #: 80 total cpu time spent up to now is 150.9 secs Computing kpt #: 81 total cpu time spent up to now is 152.8 secs Computing kpt #: 82 total cpu time spent up to now is 154.8 secs Computing kpt #: 83 total cpu time spent up to now is 156.8 secs Computing kpt #: 84 total cpu time spent up to now is 158.8 secs Computing kpt #: 85 total cpu time spent up to now is 160.8 secs Computing kpt #: 86 total cpu time spent up to now is 162.9 secs Computing kpt #: 87 total cpu time spent up to now is 164.9 secs Computing kpt #: 88 total cpu time spent up to now is 166.9 secs Computing kpt #: 89 total cpu time spent up to now is 168.9 secs Computing kpt #: 90 total cpu time spent up to now is 171.0 secs Computing kpt #: 91 total cpu time spent up to now is 173.1 secs Computing kpt #: 92 total cpu time spent up to now is 175.2 secs Computing kpt #: 93 total cpu time spent up to now is 177.4 secs Computing kpt #: 94 total cpu time spent up to now is 179.5 secs Computing kpt #: 95 total cpu time spent up to now is 181.6 secs Computing kpt #: 96 total cpu time spent up to now is 183.7 secs Computing kpt #: 97 total cpu time spent up to now is 185.9 secs Computing kpt #: 98 total cpu time spent up to now is 188.0 secs Computing kpt #: 99 total cpu time spent up to now is 190.1 secs Computing kpt #: 100 total cpu time spent up to now is 192.3 secs Computing kpt #: 101 total cpu time spent up to now is 194.6 secs Computing kpt #: 102 total cpu time spent up to now is 196.5 secs Computing kpt #: 103 total cpu time spent up to now is 198.4 secs Computing kpt #: 104 total cpu time spent up to now is 200.4 secs Computing kpt #: 105 total cpu time spent up to now is 202.3 secs Computing kpt #: 106 total cpu time spent up to now is 204.3 secs Computing kpt #: 107 total cpu time spent up to now is 206.2 secs Computing kpt #: 108 total cpu time spent up to now is 208.2 secs Computing kpt #: 109 total cpu time spent up to now is 210.1 secs Computing kpt #: 110 total cpu time spent up to now is 212.0 secs Computing kpt #: 111 total cpu time spent up to now is 213.9 secs Computing kpt #: 112 total cpu time spent up to now is 215.8 secs Computing kpt #: 113 total cpu time spent up to now is 217.7 secs Computing kpt #: 114 total cpu time spent up to now is 219.7 secs Computing kpt #: 115 total cpu time spent up to now is 221.6 secs Computing kpt #: 116 total cpu time spent up to now is 223.5 secs Computing kpt #: 117 total cpu time spent up to now is 225.4 secs Computing kpt #: 118 total cpu time spent up to now is 227.3 secs Computing kpt #: 119 total cpu time spent up to now is 229.2 secs Computing kpt #: 120 total cpu time spent up to now is 231.1 secs Computing kpt #: 121 total cpu time spent up to now is 233.0 secs Computing kpt #: 122 total cpu time spent up to now is 235.0 secs Computing kpt #: 123 total cpu time spent up to now is 236.9 secs Computing kpt #: 124 total cpu time spent up to now is 238.9 secs Computing kpt #: 125 total cpu time spent up to now is 240.8 secs Computing kpt #: 126 total cpu time spent up to now is 242.7 secs Computing kpt #: 127 total cpu time spent up to now is 244.8 secs Computing kpt #: 128 total cpu time spent up to now is 246.8 secs Computing kpt #: 129 total cpu time spent up to now is 248.9 secs Computing kpt #: 130 total cpu time spent up to now is 250.9 secs Computing kpt #: 131 total cpu time spent up to now is 252.9 secs Computing kpt #: 132 total cpu time spent up to now is 254.9 secs Computing kpt #: 133 total cpu time spent up to now is 256.9 secs Computing kpt #: 134 total cpu time spent up to now is 258.9 secs Computing kpt #: 135 total cpu time spent up to now is 261.0 secs Computing kpt #: 136 total cpu time spent up to now is 263.0 secs Computing kpt #: 137 total cpu time spent up to now is 265.0 secs Computing kpt #: 138 total cpu time spent up to now is 267.0 secs Computing kpt #: 139 total cpu time spent up to now is 269.0 secs Computing kpt #: 140 total cpu time spent up to now is 271.1 secs Computing kpt #: 141 total cpu time spent up to now is 273.1 secs Computing kpt #: 142 total cpu time spent up to now is 275.1 secs Computing kpt #: 143 total cpu time spent up to now is 277.2 secs Computing kpt #: 144 total cpu time spent up to now is 279.2 secs Computing kpt #: 145 total cpu time spent up to now is 281.3 secs Computing kpt #: 146 total cpu time spent up to now is 283.4 secs Computing kpt #: 147 total cpu time spent up to now is 285.6 secs Computing kpt #: 148 total cpu time spent up to now is 289.5 secs Computing kpt #: 149 total cpu time spent up to now is 291.6 secs Computing kpt #: 150 total cpu time spent up to now is 293.7 secs Computing kpt #: 151 total cpu time spent up to now is 295.7 secs Computing kpt #: 152 total cpu time spent up to now is 297.6 secs Computing kpt #: 153 total cpu time spent up to now is 299.4 secs Computing kpt #: 154 total cpu time spent up to now is 301.3 secs Computing kpt #: 155 total cpu time spent up to now is 303.2 secs Computing kpt #: 156 total cpu time spent up to now is 304.9 secs Computing kpt #: 157 total cpu time spent up to now is 306.6 secs Computing kpt #: 158 total cpu time spent up to now is 308.3 secs Computing kpt #: 159 total cpu time spent up to now is 309.9 secs Computing kpt #: 160 total cpu time spent up to now is 311.6 secs Computing kpt #: 161 total cpu time spent up to now is 313.2 secs Computing kpt #: 162 total cpu time spent up to now is 314.8 secs Computing kpt #: 163 total cpu time spent up to now is 316.5 secs Computing kpt #: 164 total cpu time spent up to now is 318.2 secs Computing kpt #: 165 total cpu time spent up to now is 319.8 secs Computing kpt #: 166 total cpu time spent up to now is 321.5 secs Computing kpt #: 167 total cpu time spent up to now is 323.4 secs Computing kpt #: 168 total cpu time spent up to now is 325.2 secs Computing kpt #: 169 total cpu time spent up to now is 327.0 secs Computing kpt #: 170 total cpu time spent up to now is 328.9 secs Computing kpt #: 171 total cpu time spent up to now is 330.7 secs Computing kpt #: 172 total cpu time spent up to now is 332.6 secs Computing kpt #: 173 total cpu time spent up to now is 334.4 secs Computing kpt #: 174 total cpu time spent up to now is 336.2 secs Computing kpt #: 175 total cpu time spent up to now is 338.1 secs Computing kpt #: 176 total cpu time spent up to now is 339.9 secs Computing kpt #: 177 total cpu time spent up to now is 341.7 secs Computing kpt #: 178 total cpu time spent up to now is 343.5 secs Computing kpt #: 179 total cpu time spent up to now is 345.3 secs Computing kpt #: 180 total cpu time spent up to now is 347.2 secs Computing kpt #: 181 total cpu time spent up to now is 349.0 secs Computing kpt #: 182 total cpu time spent up to now is 350.8 secs Computing kpt #: 183 total cpu time spent up to now is 352.7 secs Computing kpt #: 184 total cpu time spent up to now is 354.5 secs Computing kpt #: 185 total cpu time spent up to now is 356.3 secs Computing kpt #: 186 total cpu time spent up to now is 358.2 secs Computing kpt #: 187 total cpu time spent up to now is 360.0 secs Computing kpt #: 188 total cpu time spent up to now is 361.9 secs Computing kpt #: 189 total cpu time spent up to now is 363.7 secs Computing kpt #: 190 total cpu time spent up to now is 365.6 secs Computing kpt #: 191 total cpu time spent up to now is 367.4 secs Computing kpt #: 192 total cpu time spent up to now is 369.3 secs Computing kpt #: 193 total cpu time spent up to now is 371.1 secs Computing kpt #: 194 total cpu time spent up to now is 372.9 secs Computing kpt #: 195 total cpu time spent up to now is 374.8 secs Computing kpt #: 196 total cpu time spent up to now is 376.7 secs Computing kpt #: 197 total cpu time spent up to now is 378.5 secs Computing kpt #: 198 total cpu time spent up to now is 380.4 secs Computing kpt #: 199 total cpu time spent up to now is 382.2 secs Computing kpt #: 200 total cpu time spent up to now is 384.1 secs Computing kpt #: 201 total cpu time spent up to now is 385.9 secs Computing kpt #: 202 total cpu time spent up to now is 387.8 secs Computing kpt #: 203 total cpu time spent up to now is 389.6 secs Computing kpt #: 204 total cpu time spent up to now is 391.5 secs Computing kpt #: 205 total cpu time spent up to now is 393.4 secs Computing kpt #: 206 total cpu time spent up to now is 395.2 secs Computing kpt #: 207 total cpu time spent up to now is 397.1 secs Computing kpt #: 208 total cpu time spent up to now is 399.0 secs Computing kpt #: 209 total cpu time spent up to now is 400.9 secs Computing kpt #: 210 total cpu time spent up to now is 402.8 secs Computing kpt #: 211 total cpu time spent up to now is 404.7 secs Computing kpt #: 212 total cpu time spent up to now is 406.6 secs Computing kpt #: 213 total cpu time spent up to now is 408.5 secs Computing kpt #: 214 total cpu time spent up to now is 410.3 secs Computing kpt #: 215 total cpu time spent up to now is 412.2 secs Computing kpt #: 216 total cpu time spent up to now is 414.1 secs Computing kpt #: 217 total cpu time spent up to now is 416.0 secs Computing kpt #: 218 total cpu time spent up to now is 417.9 secs Computing kpt #: 219 total cpu time spent up to now is 419.8 secs Computing kpt #: 220 total cpu time spent up to now is 421.7 secs Computing kpt #: 221 total cpu time spent up to now is 423.6 secs Computing kpt #: 222 total cpu time spent up to now is 425.4 secs Computing kpt #: 223 total cpu time spent up to now is 427.3 secs Computing kpt #: 224 total cpu time spent up to now is 429.2 secs Computing kpt #: 225 total cpu time spent up to now is 431.1 secs Computing kpt #: 226 total cpu time spent up to now is 433.0 secs Computing kpt #: 227 total cpu time spent up to now is 434.9 secs Computing kpt #: 228 total cpu time spent up to now is 436.7 secs Computing kpt #: 229 total cpu time spent up to now is 438.6 secs Computing kpt #: 230 total cpu time spent up to now is 440.5 secs Computing kpt #: 231 total cpu time spent up to now is 442.4 secs Computing kpt #: 232 total cpu time spent up to now is 444.7 secs Computing kpt #: 233 total cpu time spent up to now is 446.6 secs Computing kpt #: 234 total cpu time spent up to now is 448.5 secs Computing kpt #: 235 total cpu time spent up to now is 450.3 secs Computing kpt #: 236 total cpu time spent up to now is 452.2 secs Computing kpt #: 237 total cpu time spent up to now is 454.1 secs Computing kpt #: 238 total cpu time spent up to now is 456.0 secs Computing kpt #: 239 total cpu time spent up to now is 457.8 secs Computing kpt #: 240 total cpu time spent up to now is 459.7 secs Computing kpt #: 241 total cpu time spent up to now is 461.4 secs Computing kpt #: 242 total cpu time spent up to now is 463.1 secs Computing kpt #: 243 total cpu time spent up to now is 465.0 secs Computing kpt #: 244 total cpu time spent up to now is 466.9 secs Computing kpt #: 245 total cpu time spent up to now is 468.8 secs Computing kpt #: 246 total cpu time spent up to now is 470.7 secs Computing kpt #: 247 total cpu time spent up to now is 472.6 secs Computing kpt #: 248 total cpu time spent up to now is 474.5 secs Computing kpt #: 249 total cpu time spent up to now is 476.5 secs Computing kpt #: 250 total cpu time spent up to now is 478.4 secs Computing kpt #: 251 total cpu time spent up to now is 480.3 secs Computing kpt #: 252 total cpu time spent up to now is 482.5 secs Computing kpt #: 253 total cpu time spent up to now is 484.5 secs Computing kpt #: 254 total cpu time spent up to now is 486.4 secs Computing kpt #: 255 total cpu time spent up to now is 488.3 secs Computing kpt #: 256 total cpu time spent up to now is 490.1 secs Computing kpt #: 257 total cpu time spent up to now is 492.1 secs Computing kpt #: 258 total cpu time spent up to now is 493.9 secs Computing kpt #: 259 total cpu time spent up to now is 495.6 secs Computing kpt #: 260 total cpu time spent up to now is 497.3 secs Computing kpt #: 261 total cpu time spent up to now is 498.9 secs Computing kpt #: 262 total cpu time spent up to now is 500.6 secs Computing kpt #: 263 total cpu time spent up to now is 502.3 secs Computing kpt #: 264 total cpu time spent up to now is 504.1 secs Computing kpt #: 265 total cpu time spent up to now is 506.0 secs Computing kpt #: 266 total cpu time spent up to now is 507.9 secs Computing kpt #: 267 total cpu time spent up to now is 509.8 secs Computing kpt #: 268 total cpu time spent up to now is 511.7 secs Computing kpt #: 269 total cpu time spent up to now is 513.6 secs Computing kpt #: 270 total cpu time spent up to now is 515.6 secs Computing kpt #: 271 total cpu time spent up to now is 517.4 secs Computing kpt #: 272 total cpu time spent up to now is 519.3 secs Computing kpt #: 273 total cpu time spent up to now is 521.2 secs Computing kpt #: 274 total cpu time spent up to now is 523.0 secs Computing kpt #: 275 total cpu time spent up to now is 524.9 secs Computing kpt #: 276 total cpu time spent up to now is 526.8 secs Computing kpt #: 277 total cpu time spent up to now is 528.7 secs Computing kpt #: 278 total cpu time spent up to now is 530.6 secs Computing kpt #: 279 total cpu time spent up to now is 532.5 secs Computing kpt #: 280 total cpu time spent up to now is 534.4 secs Computing kpt #: 281 total cpu time spent up to now is 536.2 secs Computing kpt #: 282 total cpu time spent up to now is 538.1 secs Computing kpt #: 283 total cpu time spent up to now is 540.0 secs Computing kpt #: 284 total cpu time spent up to now is 541.9 secs Computing kpt #: 285 total cpu time spent up to now is 543.9 secs Computing kpt #: 286 total cpu time spent up to now is 545.8 secs Computing kpt #: 287 total cpu time spent up to now is 547.8 secs Computing kpt #: 288 total cpu time spent up to now is 549.8 secs Computing kpt #: 289 total cpu time spent up to now is 551.8 secs Computing kpt #: 290 total cpu time spent up to now is 553.7 secs Computing kpt #: 291 total cpu time spent up to now is 555.7 secs Computing kpt #: 292 total cpu time spent up to now is 557.6 secs Computing kpt #: 293 total cpu time spent up to now is 559.5 secs Computing kpt #: 294 total cpu time spent up to now is 561.5 secs Computing kpt #: 295 total cpu time spent up to now is 563.4 secs Computing kpt #: 296 total cpu time spent up to now is 565.3 secs Computing kpt #: 297 total cpu time spent up to now is 567.2 secs Computing kpt #: 298 total cpu time spent up to now is 569.0 secs Computing kpt #: 299 total cpu time spent up to now is 570.9 secs Computing kpt #: 300 total cpu time spent up to now is 572.8 secs Computing kpt #: 301 total cpu time spent up to now is 574.7 secs Computing kpt #: 302 total cpu time spent up to now is 576.6 secs Computing kpt #: 303 total cpu time spent up to now is 578.4 secs Computing kpt #: 304 total cpu time spent up to now is 580.3 secs Computing kpt #: 305 total cpu time spent up to now is 582.2 secs Computing kpt #: 306 total cpu time spent up to now is 584.1 secs Computing kpt #: 307 total cpu time spent up to now is 585.9 secs Computing kpt #: 308 total cpu time spent up to now is 587.8 secs Computing kpt #: 309 total cpu time spent up to now is 589.7 secs Computing kpt #: 310 total cpu time spent up to now is 591.5 secs Computing kpt #: 311 total cpu time spent up to now is 593.4 secs Computing kpt #: 312 total cpu time spent up to now is 595.2 secs Computing kpt #: 313 total cpu time spent up to now is 597.1 secs Computing kpt #: 314 total cpu time spent up to now is 599.0 secs Computing kpt #: 315 total cpu time spent up to now is 600.8 secs Computing kpt #: 316 total cpu time spent up to now is 602.7 secs ethr = 1.92E-08, avg # of iterations = 24.3 total cpu time spent up to now is 602.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17281 PWs) bands (ev): -14.4556 -14.4556 -14.3397 -14.3397 -7.0357 -7.0357 -6.3285 -6.3285 -3.4217 -3.4217 -3.0842 -3.0842 -2.1972 -2.1972 -1.8323 -1.8323 -1.6915 -1.6915 -1.5495 -1.5495 0.0319 0.0319 0.6912 0.6912 1.3579 1.3579 1.6976 1.6976 1.8750 1.8750 2.6574 2.6574 2.8167 2.8167 3.0336 3.0336 3.3818 3.3818 3.5577 3.5577 3.5962 3.5962 3.6866 3.6866 3.7353 3.7353 4.5963 4.5963 4.6065 4.6065 5.7242 5.7242 7.6080 7.6080 7.9740 7.9740 8.0460 8.0460 9.5187 9.5187 10.0596 10.0596 k = 0.0111 0.0134-0.0000 ( 17301 PWs) bands (ev): -14.4556 -14.4556 -14.3397 -14.3397 -7.0358 -7.0358 -6.3287 -6.3287 -3.4215 -3.4215 -3.0841 -3.0841 -2.1970 -2.1970 -1.8317 -1.8317 -1.6913 -1.6913 -1.5496 -1.5496 0.0319 0.0319 0.6912 0.6912 1.3574 1.3574 1.6974 1.6974 1.8751 1.8751 2.6574 2.6574 2.8166 2.8166 3.0335 3.0335 3.3816 3.3816 3.5573 3.5573 3.5964 3.5964 3.6864 3.6864 3.7349 3.7349 4.5920 4.5920 4.6084 4.6084 5.7230 5.7230 7.6094 7.6094 7.9666 7.9666 8.0565 8.0565 9.5186 9.5186 10.0625 10.0625 k = 0.0222 0.0268-0.0000 ( 17305 PWs) bands (ev): -14.4555 -14.4555 -14.3398 -14.3398 -7.0362 -7.0362 -6.3293 -6.3293 -3.4208 -3.4208 -3.0838 -3.0838 -2.1964 -2.1964 -1.8298 -1.8298 -1.6908 -1.6908 -1.5500 -1.5500 0.0317 0.0317 0.6912 0.6912 1.3560 1.3560 1.6968 1.6968 1.8752 1.8752 2.6573 2.6573 2.8166 2.8166 3.0332 3.0332 3.3810 3.3810 3.5561 3.5561 3.5968 3.5968 3.6861 3.6861 3.7338 3.7338 4.5823 4.5823 4.6107 4.6107 5.7196 5.7196 7.6138 7.6138 7.9519 7.9519 8.0808 8.0808 9.5182 9.5182 10.0714 10.0714 k = 0.0334 0.0402-0.0000 ( 17303 PWs) bands (ev): -14.4554 -14.4554 -14.3398 -14.3398 -7.0368 -7.0368 -6.3304 -6.3304 -3.4198 -3.4198 -3.0834 -3.0834 -2.1954 -2.1954 -1.8267 -1.8267 -1.6900 -1.6900 -1.5506 -1.5506 0.0313 0.0313 0.6912 0.6912 1.3536 1.3536 1.6958 1.6958 1.8753 1.8753 2.6571 2.6571 2.8165 2.8165 3.0326 3.0326 3.3801 3.3801 3.5543 3.5543 3.5976 3.5976 3.6853 3.6853 3.7321 3.7321 4.5689 4.5689 4.6120 4.6120 5.7140 5.7140 7.6210 7.6210 7.9373 7.9373 8.1114 8.1114 9.5175 9.5175 10.0861 10.0861 k = 0.0445 0.0535-0.0000 ( 17283 PWs) bands (ev): -14.4552 -14.4552 -14.3398 -14.3398 -7.0376 -7.0376 -6.3319 -6.3319 -3.4184 -3.4184 -3.0828 -3.0828 -2.1940 -2.1940 -1.8224 -1.8224 -1.6888 -1.6888 -1.5514 -1.5514 0.0309 0.0309 0.6913 0.6913 1.3503 1.3503 1.6945 1.6945 1.8756 1.8756 2.6569 2.6569 2.8164 2.8164 3.0319 3.0319 3.3788 3.3788 3.5517 3.5517 3.5985 3.5985 3.6842 3.6842 3.7299 3.7299 4.5520 4.5520 4.6122 4.6122 5.7064 5.7064 7.6308 7.6308 7.9257 7.9257 8.1457 8.1457 9.5162 9.5162 10.1065 10.1065 k = 0.0556 0.0669-0.0000 ( 17297 PWs) bands (ev): -14.4549 -14.4549 -14.3398 -14.3398 -7.0386 -7.0386 -6.3338 -6.3338 -3.4166 -3.4166 -3.0821 -3.0821 -2.1923 -2.1923 -1.8170 -1.8170 -1.6874 -1.6874 -1.5525 -1.5525 0.0303 0.0303 0.6914 0.6914 1.3460 1.3460 1.6930 1.6930 1.8759 1.8759 2.6567 2.6567 2.8163 2.8163 3.0310 3.0310 3.3772 3.3772 3.5486 3.5486 3.5997 3.5997 3.6824 3.6824 3.7275 3.7275 4.5314 4.5314 4.6116 4.6116 5.6972 5.6972 7.6432 7.6432 7.9181 7.9181 8.1829 8.1829 9.5143 9.5143 10.1324 10.1324 k = 0.0667 0.0803-0.0000 ( 17275 PWs) bands (ev): -14.4546 -14.4546 -14.3399 -14.3399 -7.0398 -7.0398 -6.3360 -6.3360 -3.4145 -3.4145 -3.0813 -3.0813 -2.1904 -2.1904 -1.8105 -1.8105 -1.6858 -1.6858 -1.5537 -1.5537 0.0296 0.0296 0.6915 0.6915 1.3408 1.3408 1.6912 1.6912 1.8763 1.8763 2.6565 2.6565 2.8163 2.8163 3.0299 3.0299 3.3753 3.3753 3.5450 3.5450 3.6009 3.6009 3.6799 3.6799 3.7252 3.7252 4.5072 4.5072 4.6102 4.6102 5.6866 5.6866 7.6579 7.6579 7.9150 7.9150 8.2227 8.2227 9.5116 9.5116 10.1634 10.1634 k = 0.0778 0.0937-0.0000 ( 17271 PWs) bands (ev): -14.4543 -14.4543 -14.3399 -14.3399 -7.0412 -7.0412 -6.3385 -6.3385 -3.4122 -3.4122 -3.0804 -3.0804 -2.1882 -2.1882 -1.8030 -1.8030 -1.6840 -1.6840 -1.5552 -1.5552 0.0288 0.0288 0.6916 0.6916 1.3347 1.3347 1.6894 1.6894 1.8768 1.8768 2.6564 2.6564 2.8163 2.8163 3.0288 3.0288 3.3733 3.3733 3.5410 3.5410 3.6021 3.6021 3.6766 3.6766 3.7231 3.7231 4.4797 4.4797 4.6082 4.6082 5.6749 5.6749 7.6747 7.6747 7.9165 7.9165 8.2651 8.2651 9.5079 9.5079 10.1987 10.1987 k = 0.0890 0.1071-0.0000 ( 17275 PWs) bands (ev): -14.4539 -14.4539 -14.3399 -14.3399 -7.0426 -7.0426 -6.3413 -6.3413 -3.4095 -3.4095 -3.0795 -3.0795 -2.1859 -2.1859 -1.7947 -1.7947 -1.6822 -1.6822 -1.5569 -1.5569 0.0279 0.0279 0.6918 0.6918 1.3278 1.3278 1.6875 1.6875 1.8774 1.8774 2.6564 2.6564 2.8164 2.8164 3.0276 3.0276 3.3711 3.3711 3.5367 3.5367 3.6034 3.6034 3.6724 3.6724 3.7215 3.7215 4.4490 4.4490 4.6059 4.6059 5.6627 5.6627 7.6935 7.6935 7.9225 7.9225 8.3101 8.3101 9.5031 9.5031 10.2374 10.2374 k = 0.1001 0.1205-0.0000 ( 17277 PWs) bands (ev): -14.4535 -14.4535 -14.3400 -14.3400 -7.0442 -7.0442 -6.3443 -6.3443 -3.4067 -3.4067 -3.0787 -3.0787 -2.1835 -2.1835 -1.7857 -1.7857 -1.6802 -1.6802 -1.5587 -1.5587 0.0269 0.0269 0.6920 0.6920 1.3201 1.3201 1.6857 1.6857 1.8781 1.8781 2.6565 2.6565 2.8166 2.8166 3.0264 3.0264 3.3689 3.3689 3.5322 3.5322 3.6045 3.6045 3.6674 3.6674 3.7203 3.7203 4.4155 4.4155 4.6033 4.6033 5.6501 5.6501 7.7140 7.7140 7.9330 7.9330 8.3582 8.3582 9.4972 9.4972 10.2779 10.2779 k = 0.1112 0.1338-0.0000 ( 17275 PWs) bands (ev): -14.4531 -14.4531 -14.3401 -14.3401 -7.0458 -7.0458 -6.3475 -6.3475 -3.4038 -3.4038 -3.0779 -3.0779 -2.1811 -2.1811 -1.7762 -1.7762 -1.6783 -1.6783 -1.5607 -1.5607 0.0259 0.0259 0.6923 0.6923 1.3117 1.3117 1.6840 1.6840 1.8789 1.8789 2.6568 2.6568 2.8169 2.8169 3.0252 3.0252 3.3666 3.3666 3.5276 3.5276 3.6055 3.6055 3.6619 3.6619 3.7196 3.7196 4.3795 4.3795 4.6005 4.6005 5.6376 5.6376 7.7361 7.7361 7.9477 7.9477 8.4096 8.4096 9.4901 9.4901 10.3182 10.3182 k = 0.1223 0.1472-0.0000 ( 17279 PWs) bands (ev): -14.4526 -14.4526 -14.3401 -14.3401 -7.0474 -7.0474 -6.3508 -6.3508 -3.4007 -3.4007 -3.0772 -3.0772 -2.1787 -2.1787 -1.7664 -1.7664 -1.6764 -1.6764 -1.5628 -1.5628 0.0247 0.0247 0.6926 0.6926 1.3028 1.3028 1.6826 1.6826 1.8797 1.8797 2.6573 2.6573 2.8174 2.8174 3.0241 3.0241 3.3644 3.3644 3.5231 3.5231 3.6064 3.6064 3.6561 3.6561 3.7191 3.7191 4.3416 4.3416 4.5976 4.5976 5.6254 5.6254 7.7594 7.7594 7.9661 7.9661 8.4647 8.4647 9.4818 9.4818 10.3555 10.3555 k = 0.1334 0.1606-0.0000 ( 17273 PWs) bands (ev): -14.4520 -14.4520 -14.3402 -14.3402 -7.0490 -7.0490 -6.3541 -6.3541 -3.3976 -3.3976 -3.0766 -3.0766 -2.1763 -2.1763 -1.7566 -1.7566 -1.6745 -1.6745 -1.5652 -1.5652 0.0236 0.0236 0.6930 0.6930 1.2934 1.2934 1.6814 1.6814 1.8806 1.8806 2.6582 2.6582 2.8181 2.8181 3.0230 3.0230 3.3623 3.3623 3.5187 3.5187 3.6071 3.6071 3.6501 3.6501 3.7189 3.7189 4.3023 4.3023 4.5947 4.5947 5.6140 5.6140 7.7836 7.7836 7.9880 7.9880 8.5239 8.5239 9.4722 9.4722 10.3862 10.3862 k = 0.1445 0.1740-0.0000 ( 17267 PWs) bands (ev): -14.4515 -14.4515 -14.3403 -14.3403 -7.0505 -7.0505 -6.3575 -6.3575 -3.3945 -3.3945 -3.0762 -3.0762 -2.1741 -2.1741 -1.7472 -1.7472 -1.6725 -1.6725 -1.5676 -1.5676 0.0224 0.0224 0.6934 0.6934 1.2839 1.2839 1.6805 1.6805 1.8816 1.8816 2.6593 2.6593 2.8189 2.8189 3.0220 3.0220 3.3604 3.3604 3.5146 3.5146 3.6076 3.6076 3.6443 3.6443 3.7188 3.7188 4.2620 4.2620 4.5918 4.5918 5.6036 5.6036 7.8086 7.8086 8.0131 8.0131 8.5874 8.5874 9.4615 9.4615 10.4063 10.4063 k = 0.1557 0.1874-0.0000 ( 17265 PWs) bands (ev): -14.4509 -14.4509 -14.3404 -14.3404 -7.0519 -7.0519 -6.3608 -6.3608 -3.3914 -3.3914 -3.0761 -3.0761 -2.1719 -2.1719 -1.7386 -1.7386 -1.6703 -1.6703 -1.5703 -1.5703 0.0212 0.0212 0.6940 0.6940 1.2743 1.2743 1.6800 1.6800 1.8826 1.8826 2.6607 2.6607 2.8200 2.8200 3.0212 3.0212 3.3586 3.3586 3.5109 3.5109 3.6079 3.6079 3.6388 3.6388 3.7188 3.7188 4.2214 4.2214 4.5890 4.5890 5.5943 5.5943 7.8339 7.8339 8.0410 8.0410 8.6556 8.6556 9.4496 9.4496 10.4116 10.4116 k = 0.1668 0.2008-0.0000 ( 17275 PWs) bands (ev): -14.4503 -14.4503 -14.3405 -14.3405 -7.0532 -7.0532 -6.3640 -6.3640 -3.3884 -3.3884 -3.0762 -3.0762 -2.1699 -2.1699 -1.7313 -1.7313 -1.6677 -1.6677 -1.5731 -1.5731 0.0200 0.0200 0.6946 0.6946 1.2650 1.2650 1.6798 1.6798 1.8837 1.8837 2.6625 2.6625 2.8213 2.8213 3.0206 3.0206 3.3570 3.3570 3.5075 3.5075 3.6080 3.6080 3.6339 3.6339 3.7188 3.7188 4.1809 4.1809 4.5864 4.5864 5.5866 5.5866 7.8595 7.8595 8.0714 8.0714 8.7286 8.7286 9.4365 9.4365 10.3985 10.3985 k = 0.1779 0.2142-0.0000 ( 17275 PWs) bands (ev): -14.4497 -14.4497 -14.3407 -14.3407 -7.0543 -7.0543 -6.3671 -6.3671 -3.3856 -3.3856 -3.0767 -3.0767 -2.1680 -2.1680 -1.7257 -1.7257 -1.6645 -1.6645 -1.5762 -1.5762 0.0188 0.0188 0.6953 0.6953 1.2561 1.2561 1.6800 1.6800 1.8848 1.8848 2.6646 2.6646 2.8228 2.8228 3.0202 3.0202 3.3556 3.3556 3.5048 3.5048 3.6079 3.6079 3.6299 3.6299 3.7188 3.7188 4.1411 4.1411 4.5841 4.5841 5.5805 5.5805 7.8852 7.8852 8.1040 8.1040 8.8064 8.8064 9.4222 9.4222 10.3646 10.3646 k = 0.1890 0.2275-0.0000 ( 17283 PWs) bands (ev): -14.4490 -14.4490 -14.3408 -14.3408 -7.0553 -7.0553 -6.3699 -6.3699 -3.3829 -3.3829 -3.0774 -3.0774 -2.1663 -2.1663 -1.7221 -1.7221 -1.6608 -1.6608 -1.5795 -1.5795 0.0176 0.0176 0.6961 0.6961 1.2479 1.2479 1.6806 1.6806 1.8859 1.8859 2.6670 2.6670 2.8244 2.8244 3.0200 3.0200 3.3545 3.3545 3.5025 3.5025 3.6073 3.6073 3.6270 3.6270 3.7188 3.7188 4.1024 4.1024 4.5820 4.5820 5.5761 5.5761 7.9109 7.9109 8.1385 8.1385 8.8889 8.8889 9.4067 9.4067 10.3095 10.3095 k = 0.2001 0.2409-0.0000 ( 17301 PWs) bands (ev): -14.4484 -14.4484 -14.3409 -14.3409 -7.0560 -7.0560 -6.3726 -6.3726 -3.3805 -3.3805 -3.0785 -3.0785 -2.1648 -2.1648 -1.7205 -1.7205 -1.6567 -1.6567 -1.5831 -1.5831 0.0165 0.0165 0.6970 0.6970 1.2405 1.2405 1.6814 1.6814 1.8870 1.8870 2.6697 2.6697 2.8262 2.8262 3.0200 3.0200 3.3536 3.3536 3.5009 3.5009 3.6060 3.6060 3.6258 3.6258 3.7188 3.7188 4.0652 4.0652 4.5802 4.5802 5.5737 5.5737 7.9367 7.9367 8.1746 8.1746 8.9759 8.9759 9.3899 9.3899 10.2353 10.2353 k = 0.2113 0.2543-0.0000 ( 17305 PWs) bands (ev): -14.4477 -14.4477 -14.3411 -14.3411 -7.0564 -7.0564 -6.3750 -6.3750 -3.3783 -3.3783 -3.0800 -3.0800 -2.1634 -2.1634 -1.7209 -1.7209 -1.6526 -1.6526 -1.5869 -1.5869 0.0154 0.0154 0.6980 0.6980 1.2343 1.2343 1.6827 1.6827 1.8880 1.8880 2.6727 2.6727 2.8282 2.8282 3.0203 3.0203 3.3530 3.3530 3.4998 3.4998 3.6041 3.6041 3.6264 3.6264 3.7189 3.7189 4.0299 4.0299 4.5788 4.5788 5.5734 5.5734 7.9626 7.9626 8.2122 8.2122 9.0669 9.0669 9.3717 9.3717 10.1458 10.1458 k = 0.2224 0.2677-0.0000 ( 17309 PWs) bands (ev): -14.4471 -14.4471 -14.3412 -14.3412 -7.0566 -7.0566 -6.3772 -6.3772 -3.3763 -3.3763 -3.0818 -3.0818 -2.1623 -2.1623 -1.7229 -1.7229 -1.6488 -1.6488 -1.5910 -1.5910 0.0144 0.0144 0.6991 0.6991 1.2293 1.2293 1.6841 1.6841 1.8890 1.8890 2.6758 2.6758 2.8302 2.8302 3.0209 3.0209 3.3527 3.3527 3.4992 3.4992 3.6017 3.6017 3.6287 3.6287 3.7193 3.7193 3.9969 3.9969 4.5778 4.5778 5.5751 5.5751 7.9886 7.9886 8.2510 8.2510 9.1605 9.1605 9.3527 9.3527 10.0457 10.0457 k = 0.2335 0.2811-0.0000 ( 17299 PWs) bands (ev): -14.4464 -14.4464 -14.3414 -14.3414 -7.0565 -7.0565 -6.3790 -6.3790 -3.3746 -3.3746 -3.0840 -3.0840 -2.1613 -2.1613 -1.7263 -1.7263 -1.6459 -1.6459 -1.5953 -1.5953 0.0134 0.0134 0.7003 0.7003 1.2258 1.2258 1.6859 1.6859 1.8899 1.8899 2.6792 2.6792 2.8322 2.8322 3.0217 3.0217 3.3526 3.3526 3.4991 3.4991 3.5991 3.5991 3.6324 3.6324 3.7202 3.7202 3.9665 3.9665 4.5772 4.5772 5.5790 5.5790 8.0148 8.0148 8.2908 8.2908 9.2501 9.2501 9.3380 9.3380 9.9400 9.9400 k = 0.2446 0.2945-0.0000 ( 17289 PWs) bands (ev): -14.4458 -14.4458 -14.3415 -14.3415 -7.0561 -7.0561 -6.3805 -6.3805 -3.3732 -3.3732 -3.0866 -3.0866 -2.1604 -2.1604 -1.7308 -1.7308 -1.6442 -1.6442 -1.5998 -1.5998 0.0126 0.0126 0.7016 0.7016 1.2238 1.2238 1.6879 1.6879 1.8907 1.8907 2.6827 2.6827 2.8342 2.8342 3.0227 3.0227 3.3528 3.3528 3.4994 3.4994 3.5965 3.5965 3.6372 3.6372 3.7218 3.7218 3.9389 3.9389 4.5770 4.5770 5.5852 5.5852 8.0413 8.0413 8.3317 8.3317 9.2802 9.2802 9.3814 9.3814 9.8333 9.8333 k = 0.2557 0.3079-0.0000 ( 17291 PWs) bands (ev): -14.4451 -14.4451 -14.3417 -14.3417 -7.0555 -7.0555 -6.3817 -6.3817 -3.3721 -3.3721 -3.0896 -3.0896 -2.1597 -2.1597 -1.7364 -1.7364 -1.6439 -1.6439 -1.6044 -1.6044 0.0118 0.0118 0.7030 0.7030 1.2233 1.2233 1.6902 1.6902 1.8913 1.8913 2.6864 2.6864 2.8360 2.8360 3.0240 3.0240 3.3532 3.3532 3.4998 3.4998 3.5939 3.5939 3.6425 3.6425 3.7245 3.7245 3.9146 3.9146 4.5773 4.5773 5.5935 5.5935 8.0679 8.0679 8.3734 8.3734 9.2529 9.2529 9.4779 9.4779 9.7303 9.7303 k = 0.2669 0.3212-0.0000 ( 17289 PWs) bands (ev): -14.4445 -14.4445 -14.3419 -14.3419 -7.0545 -7.0545 -6.3825 -6.3825 -3.3713 -3.3713 -3.0929 -3.0929 -2.1592 -2.1592 -1.7429 -1.7429 -1.6452 -1.6452 -1.6091 -1.6091 0.0110 0.0110 0.7045 0.7045 1.2245 1.2245 1.6926 1.6926 1.8919 1.8919 2.6901 2.6901 2.8378 2.8378 3.0256 3.0256 3.3540 3.3540 3.5005 3.5005 3.5915 3.5915 3.6477 3.6477 3.7288 3.7288 3.8940 3.8940 4.5780 4.5780 5.6040 5.6040 8.0948 8.0948 8.4160 8.4160 9.2108 9.2108 9.5812 9.5812 9.6359 9.6359 k = 0.2780 0.3346-0.0000 ( 17283 PWs) bands (ev): -14.4439 -14.4439 -14.3421 -14.3421 -7.0533 -7.0533 -6.3830 -6.3830 -3.3708 -3.3708 -3.0967 -3.0967 -2.1587 -2.1587 -1.7501 -1.7501 -1.6482 -1.6482 -1.6137 -1.6137 0.0104 0.0104 0.7060 0.7060 1.2273 1.2273 1.6952 1.6952 1.8923 1.8923 2.6939 2.6939 2.8394 2.8394 3.0274 3.0274 3.3550 3.3550 3.5011 3.5011 3.5894 3.5894 3.6519 3.6519 3.7346 3.7346 3.8779 3.8779 4.5791 4.5791 5.6167 5.6167 8.1217 8.1217 8.4593 8.4593 9.1553 9.1553 9.5541 9.5541 9.6863 9.6863 k = 0.2891 0.3480-0.0000 ( 17293 PWs) bands (ev): -14.4433 -14.4433 -14.3423 -14.3423 -7.0518 -7.0518 -6.3832 -6.3832 -3.3706 -3.3706 -3.1007 -3.1007 -2.1584 -2.1584 -1.7579 -1.7579 -1.6529 -1.6529 -1.6184 -1.6184 0.0099 0.0099 0.7077 0.7077 1.2316 1.2316 1.6979 1.6979 1.8926 1.8926 2.6978 2.6978 2.8407 2.8407 3.0293 3.0293 3.3564 3.3564 3.5018 3.5018 3.5875 3.5875 3.6546 3.6546 3.7409 3.7409 3.8677 3.8677 4.5808 4.5808 5.6315 5.6315 8.1485 8.1485 8.5034 8.5034 9.0860 9.0860 9.4885 9.4885 9.7905 9.7905 k = 0.3002 0.3614-0.0000 ( 17293 PWs) bands (ev): -14.4427 -14.4427 -14.3425 -14.3425 -7.0500 -7.0500 -6.3830 -6.3830 -3.3707 -3.3707 -3.1051 -3.1051 -2.1582 -2.1582 -1.7662 -1.7662 -1.6591 -1.6591 -1.6230 -1.6230 0.0094 0.0094 0.7094 0.7094 1.2373 1.2373 1.7008 1.7008 1.8928 1.8928 2.7017 2.7017 2.8419 2.8419 3.0315 3.0315 3.3580 3.3580 3.5024 3.5024 3.5859 3.5859 3.6556 3.6556 3.7459 3.7459 3.8653 3.8653 4.5828 4.5828 5.6483 5.6483 8.1750 8.1750 8.5482 8.5482 9.0047 9.0047 9.4379 9.4379 9.8926 9.8926 k = 0.3113 0.3748-0.0000 ( 17297 PWs) bands (ev): -14.4422 -14.4422 -14.3426 -14.3426 -7.0481 -7.0481 -6.3826 -6.3826 -3.3710 -3.3710 -3.1097 -3.1097 -2.1581 -2.1581 -1.7750 -1.7750 -1.6667 -1.6667 -1.6276 -1.6276 0.0091 0.0091 0.7112 0.7112 1.2442 1.2442 1.7039 1.7039 1.8929 1.8929 2.7056 2.7056 2.8429 2.8429 3.0337 3.0337 3.3600 3.3600 3.5029 3.5029 3.5847 3.5847 3.6552 3.6552 3.7477 3.7477 3.8720 3.8720 4.5854 4.5854 5.6670 5.6670 8.2009 8.2009 8.5934 8.5934 8.9160 8.9160 9.3991 9.3991 9.9912 9.9912 k = 0.3225 0.3882-0.0000 ( 17311 PWs) bands (ev): -14.4416 -14.4416 -14.3428 -14.3428 -7.0459 -7.0459 -6.3819 -6.3819 -3.3715 -3.3715 -3.1146 -3.1146 -2.1581 -2.1581 -1.7841 -1.7841 -1.6754 -1.6754 -1.6322 -1.6322 0.0088 0.0088 0.7130 0.7130 1.2522 1.2522 1.7070 1.7070 1.8928 1.8928 2.7096 2.7096 2.8438 2.8438 3.0361 3.0361 3.3623 3.3623 3.5032 3.5032 3.5839 3.5839 3.6536 3.6536 3.7458 3.7458 3.8875 3.8875 4.5883 4.5883 5.6875 5.6875 8.2255 8.2255 8.6385 8.6385 8.8248 8.8248 9.3686 9.3686 10.0844 10.0844 k = 0.3336 0.4015-0.0000 ( 17297 PWs) bands (ev): -14.4411 -14.4411 -14.3430 -14.3430 -7.0436 -7.0436 -6.3809 -6.3809 -3.3723 -3.3723 -3.1196 -3.1196 -2.1581 -2.1581 -1.7933 -1.7933 -1.6852 -1.6852 -1.6368 -1.6368 0.0086 0.0086 0.7148 0.7148 1.2610 1.2610 1.7102 1.7102 1.8927 1.8927 2.7136 2.7136 2.8445 2.8445 3.0385 3.0385 3.3649 3.3649 3.5033 3.5033 3.5835 3.5835 3.6511 3.6511 3.7416 3.7416 3.9097 3.9097 4.5915 4.5915 5.7095 5.7095 8.2480 8.2480 8.6787 8.6787 8.7401 8.7401 9.3439 9.3439 10.1704 10.1704 k = 0.3447 0.4149-0.0000 ( 17309 PWs) bands (ev): -14.4406 -14.4406 -14.3432 -14.3432 -7.0411 -7.0411 -6.3798 -6.3798 -3.3732 -3.3732 -3.1249 -3.1249 -2.1582 -2.1582 -1.8025 -1.8025 -1.6958 -1.6958 -1.6414 -1.6414 0.0084 0.0084 0.7166 0.7166 1.2705 1.2705 1.7135 1.7135 1.8924 1.8924 2.7175 2.7175 2.8450 2.8450 3.0410 3.0410 3.3678 3.3678 3.5031 3.5031 3.5836 3.5836 3.6481 3.6481 3.7362 3.7362 3.9366 3.9366 4.5951 4.5951 5.7329 5.7329 8.2668 8.2668 8.6389 8.6389 8.7403 8.7403 9.3231 9.3231 10.2471 10.2471 k = 0.3558 0.4283-0.0000 ( 17313 PWs) bands (ev): -14.4402 -14.4402 -14.3434 -14.3434 -7.0385 -7.0385 -6.3785 -6.3785 -3.3743 -3.3743 -3.1302 -3.1302 -2.1583 -2.1583 -1.8116 -1.8116 -1.7070 -1.7070 -1.6458 -1.6458 0.0083 0.0083 0.7184 0.7184 1.2803 1.2803 1.7168 1.7168 1.8921 1.8921 2.7214 2.7214 2.8455 2.8455 3.0435 3.0435 3.3709 3.3709 3.5028 3.5028 3.5841 3.5841 3.6447 3.6447 3.7305 3.7305 3.9665 3.9665 4.5990 4.5990 5.7574 5.7574 8.2782 8.2782 8.5642 8.5642 8.7850 8.7850 9.3053 9.3053 10.3126 10.3126 k = 0.3669 0.4417-0.0000 ( 17314 PWs) bands (ev): -14.4398 -14.4398 -14.3436 -14.3436 -7.0359 -7.0359 -6.3770 -6.3770 -3.3754 -3.3754 -3.1355 -3.1355 -2.1585 -2.1585 -1.8204 -1.8204 -1.7187 -1.7187 -1.6500 -1.6500 0.0083 0.0083 0.7202 0.7202 1.2904 1.2904 1.7201 1.7201 1.8918 1.8918 2.7252 2.7252 2.8460 2.8460 3.0460 3.0460 3.3743 3.3743 3.5021 3.5021 3.5851 3.5851 3.6410 3.6410 3.7251 3.7251 3.9981 3.9981 4.6032 4.6032 5.7827 5.7827 8.2755 8.2755 8.5046 8.5046 8.8319 8.8319 9.2898 9.2898 10.3651 10.3651 k = 0.3780 0.4551-0.0000 ( 17312 PWs) bands (ev): -14.4394 -14.4394 -14.3437 -14.3437 -7.0333 -7.0333 -6.3754 -6.3754 -3.3767 -3.3767 -3.1408 -3.1408 -2.1586 -2.1586 -1.8289 -1.8289 -1.7307 -1.7307 -1.6540 -1.6540 0.0084 0.0084 0.7219 0.7219 1.3004 1.3004 1.7234 1.7234 1.8914 1.8914 2.7289 2.7289 2.8464 2.8464 3.0485 3.0485 3.3779 3.3779 3.5012 3.5012 3.5864 3.5864 3.6373 3.6373 3.7200 3.7200 4.0305 4.0305 4.6074 4.6074 5.8084 5.8084 8.2503 8.2503 8.4706 8.4706 8.8792 8.8792 9.2761 9.2761 10.4034 10.4034 k = 0.3892 0.4685-0.0000 ( 17308 PWs) bands (ev): -14.4390 -14.4390 -14.3439 -14.3439 -7.0307 -7.0307 -6.3738 -6.3738 -3.3780 -3.3780 -3.1459 -3.1459 -2.1588 -2.1588 -1.8368 -1.8368 -1.7427 -1.7427 -1.6577 -1.6577 0.0084 0.0084 0.7235 0.7235 1.3101 1.3101 1.7266 1.7266 1.8910 1.8910 2.7325 2.7325 2.8468 2.8468 3.0509 3.0509 3.3817 3.3817 3.5000 3.5000 3.5880 3.5880 3.6337 3.6337 3.7155 3.7155 4.0628 4.0628 4.6118 4.6118 5.8342 5.8342 8.2042 8.2042 8.4614 8.4614 8.9263 8.9263 9.2640 9.2640 10.4272 10.4272 k = 0.4003 0.4819-0.0000 ( 17306 PWs) bands (ev): -14.4387 -14.4387 -14.3440 -14.3440 -7.0282 -7.0282 -6.3722 -6.3722 -3.3792 -3.3792 -3.1509 -3.1509 -2.1590 -2.1590 -1.8440 -1.8440 -1.7546 -1.7546 -1.6611 -1.6611 0.0085 0.0085 0.7251 0.7251 1.3195 1.3195 1.7298 1.7298 1.8907 1.8907 2.7358 2.7358 2.8471 2.8471 3.0532 3.0532 3.3856 3.3856 3.4986 3.4986 3.5899 3.5899 3.6301 3.6301 3.7115 3.7115 4.0944 4.0944 4.6161 4.6161 5.8597 5.8597 8.1485 8.1485 8.4660 8.4660 8.9726 8.9726 9.2534 9.2534 10.4372 10.4372 k = 0.4114 0.4952-0.0000 ( 17334 PWs) bands (ev): -14.4384 -14.4384 -14.3442 -14.3442 -7.0259 -7.0259 -6.3707 -6.3707 -3.3805 -3.3805 -3.1557 -3.1557 -2.1591 -2.1591 -1.8506 -1.8506 -1.7661 -1.7661 -1.6642 -1.6642 0.0086 0.0086 0.7265 0.7265 1.3282 1.3282 1.7328 1.7328 1.8903 1.8903 2.7390 2.7390 2.8475 2.8475 3.0554 3.0554 3.3895 3.3895 3.4969 3.4969 3.5919 3.5919 3.6267 3.6267 3.7079 3.7079 4.1246 4.1246 4.6204 4.6204 5.8843 5.8843 8.0917 8.0917 8.4762 8.4762 9.0178 9.0178 9.2441 9.2441 10.4355 10.4355 k = 0.4225 0.5086-0.0000 ( 17318 PWs) bands (ev): -14.4381 -14.4381 -14.3443 -14.3443 -7.0237 -7.0237 -6.3692 -6.3692 -3.3817 -3.3817 -3.1600 -3.1600 -2.1593 -2.1593 -1.8562 -1.8562 -1.7770 -1.7770 -1.6670 -1.6670 0.0087 0.0087 0.7278 0.7278 1.3362 1.3362 1.7356 1.7356 1.8899 1.8899 2.7418 2.7418 2.8478 2.8478 3.0574 3.0574 3.3934 3.3934 3.4951 3.4951 3.5940 3.5940 3.6236 3.6236 3.7049 3.7049 4.1528 4.1528 4.6244 4.6244 5.9076 5.9076 8.0381 8.0381 8.4881 8.4881 9.0611 9.0611 9.2361 9.2361 10.4246 10.4246 k = 0.4225 0.5086-0.0000 ( 17318 PWs) bands (ev): -14.4381 -14.4381 -14.3443 -14.3443 -7.0237 -7.0237 -6.3692 -6.3692 -3.3817 -3.3817 -3.1600 -3.1600 -2.1593 -2.1593 -1.8562 -1.8562 -1.7770 -1.7770 -1.6670 -1.6670 0.0087 0.0087 0.7278 0.7278 1.3362 1.3362 1.7356 1.7356 1.8899 1.8899 2.7418 2.7418 2.8478 2.8478 3.0574 3.0574 3.3934 3.3934 3.4951 3.4951 3.5940 3.5940 3.6236 3.6236 3.7049 3.7049 4.1528 4.1528 4.6244 4.6244 5.9076 5.9076 8.0381 8.0381 8.4881 8.4881 9.0611 9.0611 9.2361 9.2361 10.4246 10.4246 k = 0.4049 0.5086-0.0000 ( 17315 PWs) bands (ev): -14.4383 -14.4383 -14.3442 -14.3442 -7.0252 -7.0252 -6.3700 -6.3700 -3.3808 -3.3808 -3.1572 -3.1572 -2.1589 -2.1589 -1.8527 -1.8527 -1.7699 -1.7699 -1.6654 -1.6654 0.0088 0.0088 0.7270 0.7270 1.3311 1.3311 1.7340 1.7340 1.8901 1.8901 2.7398 2.7398 2.8474 2.8474 3.0562 3.0562 3.3903 3.3903 3.4967 3.4967 3.5920 3.5920 3.6256 3.6256 3.7066 3.7066 4.1351 4.1351 4.6218 4.6218 5.8926 5.8926 8.0733 8.0733 8.4814 8.4814 9.0361 9.0361 9.2406 9.2406 10.4247 10.4247 k = 0.3873 0.5086-0.0000 ( 17313 PWs) bands (ev): -14.4385 -14.4385 -14.3441 -14.3441 -7.0270 -7.0270 -6.3705 -6.3705 -3.3798 -3.3798 -3.1543 -3.1543 -2.1581 -2.1581 -1.8487 -1.8487 -1.7624 -1.7624 -1.6642 -1.6642 0.0092 0.0092 0.7262 0.7262 1.3259 1.3259 1.7326 1.7326 1.8903 1.8903 2.7373 2.7373 2.8466 2.8466 3.0550 3.0550 3.3861 3.3861 3.4989 3.4989 3.5890 3.5890 3.6273 3.6273 3.7079 3.7079 4.1172 4.1172 4.6191 4.6191 5.8768 5.8768 8.1125 8.1125 8.4771 8.4771 9.0157 9.0157 9.2446 9.2446 10.4065 10.4065 k = 0.3697 0.5086-0.0000 ( 17313 PWs) bands (ev): -14.4388 -14.4388 -14.3440 -14.3440 -7.0291 -7.0291 -6.3709 -6.3709 -3.3786 -3.3786 -3.1512 -3.1512 -2.1568 -2.1568 -1.8444 -1.8444 -1.7546 -1.7546 -1.6632 -1.6632 0.0099 0.0099 0.7253 0.7253 1.3204 1.3204 1.7316 1.7316 1.8904 1.8904 2.7344 2.7344 2.8455 2.8455 3.0539 3.0539 3.3810 3.3810 3.5016 3.5016 3.5851 3.5851 3.6282 3.6282 3.7091 3.7091 4.0992 4.0992 4.6163 4.6163 5.8605 5.8605 8.1549 8.1549 8.4756 8.4756 9.0000 9.0000 9.2483 9.2483 10.3730 10.3730 k = 0.3521 0.5086-0.0000 ( 17305 PWs) bands (ev): -14.4391 -14.4391 -14.3439 -14.3439 -7.0315 -7.0315 -6.3710 -6.3710 -3.3773 -3.3773 -3.1481 -3.1481 -2.1551 -2.1551 -1.8397 -1.8397 -1.7466 -1.7466 -1.6625 -1.6625 0.0109 0.0109 0.7244 0.7244 1.3148 1.3148 1.7308 1.7308 1.8906 1.8906 2.7310 2.7310 2.8440 2.8440 3.0528 3.0528 3.3752 3.3752 3.5049 3.5049 3.5807 3.5807 3.6279 3.6279 3.7100 3.7100 4.0815 4.0815 4.6135 4.6135 5.8441 5.8441 8.1996 8.1996 8.4777 8.4777 8.9889 8.9889 9.2517 9.2517 10.3282 10.3282 k = 0.3345 0.5086-0.0000 ( 17312 PWs) bands (ev): -14.4394 -14.4394 -14.3438 -14.3438 -7.0341 -7.0341 -6.3708 -6.3708 -3.3758 -3.3758 -3.1449 -3.1449 -2.1529 -2.1529 -1.8346 -1.8346 -1.7385 -1.7385 -1.6621 -1.6621 0.0122 0.0122 0.7235 0.7235 1.3090 1.3090 1.7304 1.7304 1.8908 1.8908 2.7273 2.7273 2.8422 2.8422 3.0519 3.0519 3.3688 3.3688 3.5085 3.5085 3.5760 3.5760 3.6259 3.6259 3.7107 3.7107 4.0642 4.0642 4.6106 4.6106 5.8277 5.8277 8.2449 8.2449 8.4849 8.4849 8.9821 8.9821 9.2552 9.2552 10.2757 10.2757 k = 0.3169 0.5086-0.0000 ( 17310 PWs) bands (ev): -14.4397 -14.4397 -14.3437 -14.3437 -7.0369 -7.0369 -6.3705 -6.3705 -3.3741 -3.3741 -3.1418 -3.1418 -2.1502 -2.1502 -1.8292 -1.8292 -1.7304 -1.7304 -1.6620 -1.6620 0.0137 0.0137 0.7226 0.7226 1.3031 1.3031 1.7303 1.7303 1.8910 1.8910 2.7231 2.7231 2.8401 2.8401 3.0511 3.0511 3.3620 3.3620 3.5125 3.5125 3.5710 3.5710 3.6219 3.6219 3.7114 3.7114 4.0476 4.0476 4.6076 4.6076 5.8116 5.8116 8.2884 8.2884 8.4997 8.4997 8.9791 8.9791 9.2589 9.2589 10.2181 10.2181 k = 0.2993 0.5086-0.0000 ( 17304 PWs) bands (ev): -14.4401 -14.4401 -14.3436 -14.3436 -7.0398 -7.0398 -6.3700 -6.3700 -3.3723 -3.3723 -3.1387 -3.1387 -2.1472 -2.1472 -1.8235 -1.8235 -1.7224 -1.7224 -1.6621 -1.6621 0.0154 0.0154 0.7216 0.7216 1.2972 1.2972 1.7304 1.7304 1.8912 1.8912 2.7186 2.7186 2.8378 2.8378 3.0504 3.0504 3.3550 3.3550 3.5168 3.5168 3.5660 3.5660 3.6156 3.6156 3.7120 3.7120 4.0320 4.0320 4.6047 4.6047 5.7959 5.7959 8.3268 8.3268 8.5253 8.5253 8.9793 8.9793 9.2632 9.2632 10.1576 10.1576 k = 0.2817 0.5086-0.0000 ( 17307 PWs) bands (ev): -14.4404 -14.4404 -14.3435 -14.3435 -7.0429 -7.0429 -6.3694 -6.3694 -3.3704 -3.3704 -3.1356 -3.1356 -2.1439 -2.1439 -1.8175 -1.8175 -1.7146 -1.7146 -1.6623 -1.6623 0.0172 0.0172 0.7205 0.7205 1.2912 1.2912 1.7309 1.7309 1.8916 1.8916 2.7138 2.7138 2.8354 2.8354 3.0499 3.0499 3.3480 3.3480 3.5211 3.5211 3.5610 3.5610 3.6071 3.6071 3.7126 3.7126 4.0174 4.0174 4.6018 4.6018 5.7810 5.7810 8.3578 8.3578 8.5639 8.5639 8.9821 8.9821 9.2683 9.2683 10.0954 10.0954 k = 0.2641 0.5086-0.0000 ( 17294 PWs) bands (ev): -14.4408 -14.4408 -14.3434 -14.3434 -7.0460 -7.0460 -6.3686 -6.3686 -3.3685 -3.3685 -3.1326 -3.1326 -2.1403 -2.1403 -1.8113 -1.8113 -1.7071 -1.7071 -1.6627 -1.6627 0.0193 0.0193 0.7194 0.7194 1.2853 1.2853 1.7315 1.7315 1.8921 1.8921 2.7087 2.7087 2.8328 2.8328 3.0496 3.0496 3.3411 3.3411 3.5253 3.5253 3.5562 3.5562 3.5966 3.5966 3.7129 3.7129 4.0041 4.0041 4.5989 4.5989 5.7669 5.7669 8.3818 8.3818 8.6147 8.6147 8.9870 8.9870 9.2745 9.2745 10.0326 10.0326 k = 0.2465 0.5086-0.0000 ( 17297 PWs) bands (ev): -14.4412 -14.4412 -14.3433 -14.3433 -7.0492 -7.0492 -6.3676 -6.3676 -3.3664 -3.3664 -3.1298 -3.1298 -2.1364 -2.1364 -1.8050 -1.8050 -1.7000 -1.7000 -1.6630 -1.6630 0.0213 0.0213 0.7181 0.7181 1.2795 1.2795 1.7325 1.7325 1.8927 1.8927 2.7034 2.7034 2.8302 2.8302 3.0496 3.0496 3.3344 3.3344 3.5286 3.5286 3.5516 3.5516 3.5849 3.5849 3.7132 3.7132 3.9920 3.9920 4.5960 4.5960 5.7537 5.7537 8.4014 8.4014 8.6748 8.6748 8.9937 8.9937 9.2820 9.2820 9.9701 9.9701 k = 0.2289 0.5086-0.0000 ( 17303 PWs) bands (ev): -14.4416 -14.4416 -14.3432 -14.3432 -7.0524 -7.0524 -6.3667 -6.3667 -3.3644 -3.3644 -3.1270 -3.1270 -2.1324 -2.1324 -1.7987 -1.7987 -1.6934 -1.6934 -1.6634 -1.6634 0.0235 0.0235 0.7168 0.7168 1.2737 1.2737 1.7336 1.7336 1.8935 1.8935 2.6980 2.6980 2.8276 2.8276 3.0498 3.0498 3.3281 3.3281 3.5299 3.5299 3.5469 3.5469 3.5736 3.5736 3.7131 3.7131 3.9811 3.9811 4.5932 4.5932 5.7415 5.7415 8.4190 8.4190 8.7407 8.7407 9.0021 9.0021 9.2911 9.2911 9.9083 9.9083 k = 0.2113 0.5086-0.0000 ( 17301 PWs) bands (ev): -14.4419 -14.4419 -14.3431 -14.3431 -7.0555 -7.0555 -6.3656 -6.3656 -3.3623 -3.3623 -3.1245 -3.1245 -2.1283 -2.1283 -1.7924 -1.7924 -1.6874 -1.6874 -1.6635 -1.6635 0.0257 0.0257 0.7154 0.7154 1.2682 1.2682 1.7348 1.7348 1.8945 1.8945 2.6925 2.6925 2.8251 2.8251 3.0502 3.0502 3.3224 3.3224 3.5269 3.5269 3.5409 3.5409 3.5667 3.5667 3.7129 3.7129 3.9715 3.9715 4.5904 4.5904 5.7304 5.7304 8.4361 8.4361 8.8094 8.8094 9.0131 9.0131 9.3020 9.3020 9.8475 9.8475 k = 0.1937 0.5086-0.0000 ( 17299 PWs) bands (ev): -14.4423 -14.4423 -14.3430 -14.3430 -7.0585 -7.0585 -6.3645 -6.3645 -3.3603 -3.3603 -3.1221 -3.1221 -2.1241 -2.1241 -1.7862 -1.7862 -1.6822 -1.6822 -1.6632 -1.6632 0.0278 0.0278 0.7139 0.7139 1.2628 1.2628 1.7361 1.7361 1.8957 1.8957 2.6870 2.6870 2.8227 2.8227 3.0509 3.0509 3.3173 3.3173 3.5163 3.5163 3.5350 3.5350 3.5660 3.5660 3.7123 3.7123 3.9630 3.9630 4.5877 4.5877 5.7205 5.7205 8.4536 8.4536 8.8764 8.8764 9.0291 9.0291 9.3149 9.3149 9.7881 9.7881 k = 0.1761 0.5086-0.0000 ( 17299 PWs) bands (ev): -14.4427 -14.4427 -14.3429 -14.3429 -7.0615 -7.0615 -6.3634 -6.3634 -3.3583 -3.3583 -3.1199 -3.1199 -2.1200 -2.1200 -1.7803 -1.7803 -1.6780 -1.6780 -1.6625 -1.6625 0.0299 0.0299 0.7123 0.7123 1.2578 1.2578 1.7375 1.7375 1.8970 1.8970 2.6816 2.6816 2.8204 2.8204 3.0519 3.0519 3.3129 3.3129 3.5000 3.5000 3.5308 3.5308 3.5689 3.5689 3.7115 3.7115 3.9554 3.9554 4.5852 4.5852 5.7116 5.7116 8.4716 8.4716 8.9343 8.9343 9.0564 9.0564 9.3298 9.3298 9.7301 9.7301 k = 0.1584 0.5086-0.0000 ( 17297 PWs) bands (ev): -14.4430 -14.4430 -14.3428 -14.3428 -7.0642 -7.0642 -6.3624 -6.3624 -3.3564 -3.3564 -3.1179 -3.1179 -2.1160 -2.1160 -1.7748 -1.7748 -1.6748 -1.6748 -1.6610 -1.6610 0.0318 0.0318 0.7107 0.7107 1.2530 1.2530 1.7389 1.7389 1.8985 1.8985 2.6764 2.6764 2.8183 2.8183 3.0531 3.0531 3.3093 3.3093 3.4813 3.4813 3.5272 3.5272 3.5731 3.5731 3.7105 3.7105 3.9488 3.9488 4.5828 4.5828 5.7038 5.7038 8.4900 8.4900 8.9739 8.9739 9.1030 9.1030 9.3470 9.3470 9.6737 9.6737 k = 0.1408 0.5086-0.0000 ( 17291 PWs) bands (ev): -14.4433 -14.4433 -14.3428 -14.3428 -7.0668 -7.0668 -6.3614 -6.3614 -3.3546 -3.3546 -3.1160 -3.1160 -2.1121 -2.1121 -1.7697 -1.7697 -1.6725 -1.6725 -1.6591 -1.6591 0.0337 0.0337 0.7091 0.7091 1.2486 1.2486 1.7402 1.7402 1.9001 1.9001 2.6714 2.6714 2.8164 2.8164 3.0546 3.0546 3.3067 3.3067 3.4617 3.4617 3.5241 3.5241 3.5779 3.5779 3.7093 3.7093 3.9431 3.9431 4.5805 4.5805 5.6971 5.6971 8.5083 8.5083 8.9983 8.9983 9.1645 9.1645 9.3666 9.3666 9.6188 9.6188 k = 0.1232 0.5086-0.0000 ( 17301 PWs) bands (ev): -14.4436 -14.4436 -14.3427 -14.3427 -7.0691 -7.0691 -6.3604 -6.3604 -3.3530 -3.3530 -3.1144 -3.1144 -2.1085 -2.1085 -1.7651 -1.7651 -1.6708 -1.6708 -1.6569 -1.6569 0.0354 0.0354 0.7076 0.7076 1.2447 1.2447 1.7414 1.7414 1.9017 1.9017 2.6668 2.6668 2.8146 2.8146 3.0562 3.0562 3.3050 3.3050 3.4421 3.4421 3.5212 3.5212 3.5826 3.5826 3.7080 3.7080 3.9381 3.9381 4.5784 4.5784 5.6913 5.6913 8.5260 8.5260 9.0168 9.0168 9.2295 9.2295 9.3894 9.3894 9.5658 9.5658 k = 0.1056 0.5086-0.0000 ( 17301 PWs) bands (ev): -14.4438 -14.4438 -14.3426 -14.3426 -7.0712 -7.0712 -6.3595 -6.3595 -3.3515 -3.3515 -3.1130 -3.1130 -2.1053 -2.1053 -1.7611 -1.7611 -1.6693 -1.6693 -1.6549 -1.6549 0.0369 0.0369 0.7061 0.7061 1.2411 1.2411 1.7426 1.7426 1.9033 1.9033 2.6627 2.6627 2.8132 2.8132 3.0579 3.0579 3.3045 3.3045 3.4229 3.4229 3.5187 3.5187 3.5872 3.5872 3.7066 3.7066 3.9339 3.9339 4.5766 4.5766 5.6865 5.6865 8.5425 8.5425 9.0350 9.0350 9.2890 9.2890 9.4163 9.4163 9.5153 9.5153 k = 0.0880 0.5086-0.0000 ( 17294 PWs) bands (ev): -14.4440 -14.4440 -14.3426 -14.3426 -7.0730 -7.0730 -6.3588 -6.3588 -3.3502 -3.3502 -3.1119 -3.1119 -2.1024 -2.1024 -1.7578 -1.7578 -1.6678 -1.6678 -1.6533 -1.6533 0.0382 0.0382 0.7048 0.7048 1.2381 1.2381 1.7435 1.7435 1.9049 1.9049 2.6591 2.6591 2.8119 2.8119 3.0596 3.0596 3.3051 3.3051 3.4046 3.4046 3.5166 3.5166 3.5913 3.5913 3.7052 3.7052 3.9303 3.9303 4.5750 4.5750 5.6826 5.6826 8.5572 8.5572 9.0551 9.0551 9.3346 9.3346 9.4488 9.4488 9.4699 9.4699 k = 0.0704 0.5086-0.0000 ( 17289 PWs) bands (ev): -14.4442 -14.4442 -14.3425 -14.3425 -7.0745 -7.0745 -6.3581 -6.3581 -3.3491 -3.3491 -3.1109 -3.1109 -2.1000 -2.1000 -1.7552 -1.7552 -1.6664 -1.6664 -1.6521 -1.6521 0.0393 0.0393 0.7036 0.7036 1.2356 1.2356 1.7443 1.7443 1.9063 1.9063 2.6560 2.6560 2.8109 2.8109 3.0612 3.0612 3.3071 3.3071 3.3876 3.3876 3.5149 3.5149 3.5949 3.5949 3.7039 3.7039 3.9274 3.9274 4.5736 4.5736 5.6795 5.6795 8.5696 8.5696 9.0785 9.0785 9.3535 9.3535 9.4389 9.4389 9.4863 9.4863 k = 0.0528 0.5086-0.0000 ( 17293 PWs) bands (ev): -14.4444 -14.4444 -14.3425 -14.3425 -7.0757 -7.0757 -6.3576 -6.3576 -3.3482 -3.3482 -3.1101 -3.1101 -2.0980 -2.0980 -1.7532 -1.7532 -1.6650 -1.6650 -1.6513 -1.6513 0.0402 0.0402 0.7027 0.7027 1.2336 1.2336 1.7450 1.7450 1.9075 1.9075 2.6536 2.6536 2.8101 2.8101 3.0627 3.0627 3.3103 3.3103 3.3721 3.3721 3.5135 3.5135 3.5979 3.5979 3.7028 3.7028 3.9251 3.9251 4.5725 4.5725 5.6771 5.6771 8.5794 8.5794 9.1057 9.1057 9.3337 9.3337 9.4374 9.4374 9.5221 9.5221 k = 0.0352 0.5086-0.0000 ( 17283 PWs) bands (ev): -14.4445 -14.4445 -14.3425 -14.3425 -7.0766 -7.0766 -6.3572 -6.3572 -3.3476 -3.3476 -3.1096 -3.1096 -2.0966 -2.0966 -1.7518 -1.7518 -1.6638 -1.6638 -1.6509 -1.6509 0.0408 0.0408 0.7020 0.7020 1.2321 1.2321 1.7455 1.7455 1.9084 1.9084 2.6518 2.6518 2.8095 2.8095 3.0638 3.0638 3.3149 3.3149 3.3586 3.3586 3.5126 3.5126 3.6001 3.6001 3.7019 3.7019 3.9235 3.9235 4.5717 4.5717 5.6754 5.6754 8.5863 8.5863 9.1367 9.1367 9.2953 9.2953 9.4480 9.4480 9.5506 9.5506 k = 0.0176 0.5086-0.0000 ( 17283 PWs) bands (ev): -14.4445 -14.4445 -14.3425 -14.3425 -7.0771 -7.0771 -6.3570 -6.3570 -3.3472 -3.3472 -3.1093 -3.1093 -2.0957 -2.0957 -1.7509 -1.7509 -1.6630 -1.6630 -1.6507 -1.6507 0.0412 0.0412 0.7015 0.7015 1.2312 1.2312 1.7457 1.7457 1.9089 1.9089 2.6508 2.6508 2.8092 2.8092 3.0645 3.0645 3.3201 3.3201 3.3480 3.3480 3.5120 3.5120 3.6014 3.6014 3.7014 3.7014 3.9225 3.9225 4.5712 4.5712 5.6745 5.6745 8.5905 8.5905 9.1708 9.1708 9.2546 9.2546 9.4565 9.4565 9.5685 9.5685 k = 0.0000 0.5086-0.0000 ( 17288 PWs) bands (ev): -14.4445 -14.4445 -14.3425 -14.3425 -7.0772 -7.0772 -6.3569 -6.3569 -3.3471 -3.3471 -3.1092 -3.1092 -2.0954 -2.0954 -1.7507 -1.7507 -1.6627 -1.6627 -1.6506 -1.6506 0.0413 0.0413 0.7014 0.7014 1.2309 1.2309 1.7458 1.7458 1.9091 1.9091 2.6504 2.6504 2.8091 2.8091 3.0648 3.0648 3.3231 3.3231 3.3431 3.3431 3.5118 3.5118 3.6019 3.6019 3.7012 3.7012 3.9222 3.9222 4.5711 4.5711 5.6741 5.6741 8.5919 8.5919 9.1978 9.1978 9.2251 9.2251 9.4596 9.4596 9.5745 9.5745 k = 0.0000 0.5086-0.0000 ( 17288 PWs) bands (ev): -14.4445 -14.4445 -14.3425 -14.3425 -7.0772 -7.0772 -6.3569 -6.3569 -3.3471 -3.3471 -3.1092 -3.1092 -2.0954 -2.0954 -1.7507 -1.7507 -1.6627 -1.6627 -1.6506 -1.6506 0.0413 0.0413 0.7014 0.7014 1.2309 1.2309 1.7458 1.7458 1.9091 1.9091 2.6504 2.6504 2.8091 2.8091 3.0648 3.0648 3.3231 3.3231 3.3431 3.3431 3.5118 3.5118 3.6019 3.6019 3.7012 3.7012 3.9222 3.9222 4.5711 4.5711 5.6741 5.6741 8.5919 8.5919 9.1978 9.1978 9.2251 9.2251 9.4596 9.4596 9.5745 9.5745 k = 0.0000 0.5086 0.0178 ( 17282 PWs) bands (ev): -14.4444 -14.4444 -14.3426 -14.3426 -7.0766 -7.0766 -6.3580 -6.3580 -3.3468 -3.3468 -3.1094 -3.1094 -2.0951 -2.0951 -1.7508 -1.7508 -1.6671 -1.6671 -1.6454 -1.6454 0.0420 0.0420 0.7025 0.7025 1.2314 1.2314 1.7447 1.7447 1.9086 1.9086 2.6474 2.6474 2.8082 2.8082 3.0574 3.0574 3.3209 3.3209 3.3471 3.3471 3.5082 3.5082 3.6075 3.6075 3.7030 3.7030 3.9270 3.9270 4.5721 4.5721 5.6724 5.6724 8.5951 8.5951 9.1784 9.1784 9.2240 9.2240 9.4749 9.4749 9.5747 9.5747 k = 0.0000 0.5086 0.0355 ( 17276 PWs) bands (ev): -14.4441 -14.4441 -14.3429 -14.3429 -7.0745 -7.0745 -6.3612 -6.3612 -3.3459 -3.3459 -3.1101 -3.1101 -2.0940 -2.0940 -1.7511 -1.7511 -1.6740 -1.6740 -1.6363 -1.6363 0.0440 0.0440 0.7058 0.7058 1.2326 1.2326 1.7414 1.7414 1.9073 1.9073 2.6385 2.6385 2.8058 2.8058 3.0371 3.0371 3.3149 3.3149 3.3571 3.3571 3.5001 3.5001 3.6201 3.6201 3.7101 3.7101 3.9411 3.9411 4.5751 4.5751 5.6673 5.6673 8.6047 8.6047 9.1311 9.1311 9.2204 9.2204 9.5083 9.5083 9.5772 9.5772 k = 0.0000 0.5086 0.0533 ( 17268 PWs) bands (ev): -14.4435 -14.4435 -14.3435 -14.3435 -7.0712 -7.0712 -6.3665 -6.3665 -3.3444 -3.3444 -3.1112 -3.1112 -2.0921 -2.0921 -1.7519 -1.7519 -1.6802 -1.6802 -1.6263 -1.6263 0.0475 0.0475 0.7113 0.7113 1.2346 1.2346 1.7359 1.7359 1.9049 1.9049 2.6235 2.6235 2.8018 2.8018 3.0078 3.0078 3.3055 3.3055 3.3697 3.3697 3.4915 3.4915 3.6320 3.6320 3.7263 3.7263 3.9632 3.9632 4.5802 4.5802 5.6587 5.6587 8.6201 8.6201 9.0712 9.0712 9.2149 9.2149 9.5355 9.5355 9.5918 9.5918 k = 0.0000 0.5086 0.0710 ( 17282 PWs) bands (ev): -14.4427 -14.4427 -14.3444 -14.3444 -7.0665 -7.0665 -6.3738 -6.3738 -3.3423 -3.3423 -3.1129 -3.1129 -2.0895 -2.0895 -1.7533 -1.7533 -1.6853 -1.6853 -1.6159 -1.6159 0.0525 0.0525 0.7189 0.7189 1.2373 1.2373 1.7284 1.7284 1.9017 1.9017 2.6024 2.6024 2.7963 2.7963 2.9734 2.9734 3.2936 3.2936 3.3820 3.3820 3.4844 3.4844 3.6386 3.6386 3.7538 3.7538 3.9921 3.9921 4.5873 4.5873 5.6468 5.6468 8.6402 8.6402 9.0077 9.0077 9.2080 9.2080 9.5410 9.5410 9.6262 9.6262 k = 0.0000 0.5086 0.0888 ( 17288 PWs) bands (ev): -14.4416 -14.4416 -14.3454 -14.3454 -7.0604 -7.0604 -6.3831 -6.3831 -3.3396 -3.3396 -3.1149 -3.1149 -2.0861 -2.0861 -1.7556 -1.7556 -1.6888 -1.6888 -1.6054 -1.6054 0.0594 0.0594 0.7285 0.7285 1.2408 1.2408 1.7189 1.7189 1.8974 1.8974 2.5753 2.5753 2.7895 2.7895 2.9368 2.9368 3.2801 3.2801 3.3924 3.3924 3.4793 3.4793 3.6402 3.6402 3.7906 3.7906 4.0264 4.0264 4.5963 4.5963 5.6316 5.6316 8.6629 8.6629 8.9471 8.9471 9.2003 9.2003 9.5356 9.5356 9.6665 9.6665 k = 0.0000 0.5086 0.1066 ( 17282 PWs) bands (ev): -14.4403 -14.4403 -14.3467 -14.3467 -7.0531 -7.0531 -6.3943 -6.3943 -3.3363 -3.3363 -3.1174 -3.1174 -2.0820 -2.0820 -1.7588 -1.7588 -1.6907 -1.6907 -1.5952 -1.5952 0.0682 0.0682 0.7399 0.7399 1.2449 1.2449 1.7077 1.7077 1.8922 1.8922 2.5422 2.5422 2.7814 2.7814 2.9001 2.9001 3.2659 3.2659 3.4002 3.4002 3.4761 3.4761 3.6388 3.6388 3.8337 3.8337 4.0650 4.0650 4.6073 4.6073 5.6132 5.6132 8.6823 8.6823 8.8969 8.8969 9.1924 9.1924 9.5255 9.5255 9.7050 9.7050 k = 0.0000 0.5086 0.1243 ( 17288 PWs) bands (ev): -14.4388 -14.4388 -14.3482 -14.3482 -7.0444 -7.0444 -6.4073 -6.4073 -3.3325 -3.3325 -3.1204 -3.1204 -2.0770 -2.0770 -1.7630 -1.7630 -1.6911 -1.6911 -1.5854 -1.5854 0.0792 0.0792 0.7529 0.7529 1.2496 1.2496 1.6949 1.6949 1.8859 1.8859 2.5034 2.5034 2.7721 2.7721 2.8646 2.8646 3.2520 3.2520 3.4056 3.4056 3.4741 3.4741 3.6354 3.6354 3.8808 3.8808 4.1068 4.1068 4.6199 4.6199 5.5917 5.5917 8.6863 8.6863 8.8706 8.8706 9.1852 9.1852 9.5121 9.5121 9.7400 9.7400 k = 0.0000 0.5086 0.1421 ( 17288 PWs) bands (ev): -14.4371 -14.4371 -14.3499 -14.3499 -7.0345 -7.0345 -6.4221 -6.4221 -3.3281 -3.3281 -3.1237 -3.1237 -2.0712 -2.0712 -1.7682 -1.7682 -1.6899 -1.6899 -1.5763 -1.5763 0.0928 0.0928 0.7671 0.7671 1.2548 1.2548 1.6811 1.6811 1.8786 1.8786 2.4596 2.4596 2.7616 2.7616 2.8313 2.8313 3.2391 3.2391 3.4089 3.4089 3.4728 3.4728 3.6306 3.6306 3.9304 3.9304 4.1513 4.1513 4.6339 4.6339 5.5673 5.5673 8.6650 8.6650 8.8790 8.8790 9.1790 9.1790 9.4960 9.4960 9.7714 9.7714 k = 0.0000 0.5086 0.1599 ( 17294 PWs) bands (ev): -14.4352 -14.4352 -14.3518 -14.3518 -7.0233 -7.0233 -6.4384 -6.4384 -3.3232 -3.3232 -3.1276 -3.1276 -2.0646 -2.0646 -1.7742 -1.7742 -1.6875 -1.6875 -1.5682 -1.5682 0.1090 0.1090 0.7822 0.7822 1.2604 1.2604 1.6666 1.6666 1.8702 1.8702 2.4113 2.4113 2.7500 2.7500 2.8007 2.8007 3.2278 3.2278 3.4106 3.4106 3.4717 3.4717 3.6245 3.6245 3.9815 3.9815 4.1976 4.1976 4.6489 4.6489 5.5400 5.5400 8.6279 8.6279 8.9126 8.9126 9.1742 9.1742 9.4775 9.4775 9.7995 9.7995 k = 0.0000 0.5086 0.1776 ( 17292 PWs) bands (ev): -14.4331 -14.4331 -14.3539 -14.3539 -7.0108 -7.0108 -6.4561 -6.4561 -3.3178 -3.3178 -3.1318 -3.1318 -2.0573 -2.0573 -1.7808 -1.7808 -1.6841 -1.6841 -1.5613 -1.5613 0.1282 0.1282 0.7976 0.7976 1.2665 1.2665 1.6519 1.6519 1.8606 1.8606 2.3592 2.3592 2.7371 2.7371 2.7731 2.7731 3.2185 3.2185 3.4108 3.4108 3.4705 3.4705 3.6174 3.6174 4.0335 4.0335 4.2453 4.2453 4.6645 4.6645 5.5101 5.5101 8.5878 8.5878 8.9584 8.9584 9.1708 9.1708 9.4576 9.4576 9.8247 9.8247 k = 0.0000 0.5086 0.1954 ( 17298 PWs) bands (ev): -14.4308 -14.4308 -14.3562 -14.3562 -6.9972 -6.9972 -6.4752 -6.4752 -3.3120 -3.3120 -3.1364 -3.1364 -2.0491 -2.0491 -1.7881 -1.7881 -1.6798 -1.6798 -1.5557 -1.5557 0.1505 0.1505 0.8124 0.8124 1.2732 1.2732 1.6378 1.6378 1.8500 1.8500 2.3042 2.3042 2.7229 2.7229 2.7490 2.7490 3.2115 3.2115 3.4096 3.4096 3.4694 3.4694 3.6093 3.6093 4.0858 4.0858 4.2939 4.2939 4.6801 4.6801 5.4776 5.4776 8.5507 8.5507 9.0093 9.0093 9.1690 9.1690 9.4376 9.4376 9.8478 9.8478 k = 0.0000 0.5086 0.2131 ( 17302 PWs) bands (ev): -14.4283 -14.4283 -14.3586 -14.3586 -6.9824 -6.9824 -6.4955 -6.4955 -3.3056 -3.3056 -3.1415 -3.1415 -2.0402 -2.0402 -1.7958 -1.7958 -1.6748 -1.6748 -1.5515 -1.5515 0.1760 0.1760 0.8257 0.8257 1.2807 1.2807 1.6250 1.6250 1.8381 1.8381 2.2470 2.2470 2.7072 2.7072 2.7286 2.7286 3.2067 3.2067 3.4067 3.4067 3.4685 3.4685 3.6005 3.6005 4.1379 4.1379 4.3430 4.3430 4.6951 4.6951 5.4427 5.4427 8.5193 8.5193 9.0588 9.0588 9.1699 9.1699 9.4198 9.4198 9.8691 9.8691 k = 0.0000 0.5086 0.2309 ( 17306 PWs) bands (ev): -14.4257 -14.4257 -14.3612 -14.3612 -6.9665 -6.9665 -6.5169 -6.5169 -3.2989 -3.2989 -3.1469 -3.1469 -2.0305 -2.0305 -1.8041 -1.8041 -1.6692 -1.6692 -1.5490 -1.5490 0.2048 0.2048 0.8362 0.8362 1.2896 1.2896 1.6142 1.6142 1.8251 1.8251 2.1882 2.1882 2.6907 2.6907 2.7115 2.7115 3.2042 3.2042 3.4020 3.4020 3.4682 3.4682 3.5912 3.5912 4.1894 4.1894 4.3921 4.3921 4.7092 4.7092 5.4057 5.4057 8.4950 8.4950 9.0938 9.0938 9.1816 9.1816 9.4076 9.4076 9.8893 9.8893 k = 0.0000 0.5086 0.2487 ( 17298 PWs) bands (ev): -14.4229 -14.4229 -14.3640 -14.3640 -6.9495 -6.9495 -6.5391 -6.5391 -3.2918 -3.2918 -3.1527 -3.1527 -2.0202 -2.0202 -1.8128 -1.8128 -1.6630 -1.6630 -1.5480 -1.5480 0.2368 0.2368 0.8426 0.8426 1.3006 1.3006 1.6060 1.6060 1.8110 1.8110 2.1284 2.1284 2.6746 2.6746 2.6967 2.6967 3.2040 3.2040 3.3954 3.3954 3.4686 3.4686 3.5816 3.5816 4.2401 4.2401 4.4408 4.4408 4.7219 4.7219 5.3666 5.3666 8.4785 8.4785 9.0973 9.0973 9.2158 9.2158 9.4047 9.4047 9.9086 9.9086 k = 0.0000 0.5086 0.2664 ( 17294 PWs) bands (ev): -14.4200 -14.4200 -14.3669 -14.3669 -6.9315 -6.9315 -6.5621 -6.5621 -3.2843 -3.2843 -3.1589 -3.1589 -2.0093 -2.0093 -1.8220 -1.8220 -1.6565 -1.6565 -1.5486 -1.5486 0.2719 0.2719 0.8435 0.8435 1.3146 1.3146 1.6011 1.6011 1.7959 1.7959 2.0682 2.0682 2.6600 2.6600 2.6832 2.6832 3.2059 3.2059 3.3868 3.3868 3.4699 3.4699 3.5718 3.5718 4.2895 4.2895 4.4884 4.4884 4.7333 4.7333 5.3256 5.3256 8.4703 8.4703 9.0768 9.0768 9.2609 9.2609 9.4136 9.4136 9.9273 9.9273 k = 0.0000 0.5086 0.2842 ( 17292 PWs) bands (ev): -14.4169 -14.4169 -14.3700 -14.3700 -6.9125 -6.9125 -6.5858 -6.5858 -3.2766 -3.2766 -3.1654 -3.1654 -1.9979 -1.9979 -1.8316 -1.8316 -1.6495 -1.6495 -1.5507 -1.5507 0.3098 0.3098 0.8377 0.8377 1.3328 1.3328 1.5996 1.5996 1.7797 1.7797 2.0080 2.0080 2.6474 2.6474 2.6709 2.6709 3.2098 3.2098 3.3765 3.3765 3.4720 3.4720 3.5622 3.5622 4.3373 4.3373 4.5336 4.5336 4.7440 4.7440 5.2831 5.2831 8.4705 8.4705 9.0425 9.0425 9.3052 9.3052 9.4341 9.4341 9.9454 9.9454 k = 0.0000 0.5086 0.3019 ( 17304 PWs) bands (ev): -14.4138 -14.4138 -14.3731 -14.3731 -6.8926 -6.8926 -6.6099 -6.6099 -3.2687 -3.2687 -3.1723 -3.1723 -1.9860 -1.9860 -1.8417 -1.8417 -1.6422 -1.6422 -1.5541 -1.5541 0.3504 0.3504 0.8246 0.8246 1.3557 1.3557 1.6015 1.6015 1.7625 1.7625 1.9484 1.9484 2.6369 2.6369 2.6595 2.6595 3.2156 3.2156 3.3647 3.3647 3.4749 3.4749 3.5529 3.5529 4.3832 4.3832 4.5744 4.5744 4.7554 4.7554 5.2390 5.2390 8.4791 8.4791 8.9992 8.9992 9.3457 9.3457 9.4625 9.4625 9.9630 9.9630 k = 0.0000 0.5086 0.3197 ( 17310 PWs) bands (ev): -14.4105 -14.4105 -14.3763 -14.3763 -6.8718 -6.8718 -6.6344 -6.6344 -3.2605 -3.2605 -3.1794 -3.1794 -1.9738 -1.9738 -1.8522 -1.8522 -1.6345 -1.6345 -1.5587 -1.5587 0.3931 0.3931 0.8043 0.8043 1.3836 1.3836 1.6065 1.6065 1.7443 1.7443 1.8901 1.8901 2.6285 2.6285 2.6492 2.6492 3.2230 3.2230 3.3517 3.3517 3.4786 3.4786 3.5439 3.5439 4.4268 4.4268 4.6072 4.6072 4.7708 4.7708 5.1937 5.1937 8.4958 8.4958 8.9499 8.9499 9.3832 9.3832 9.4928 9.4928 9.9799 9.9799 k = 0.0000 0.5086 0.3375 ( 17312 PWs) bands (ev): -14.4072 -14.4072 -14.3797 -14.3797 -6.8502 -6.8502 -6.6591 -6.6591 -3.2523 -3.2523 -3.1869 -3.1869 -1.9613 -1.9613 -1.8632 -1.8632 -1.6266 -1.6266 -1.5644 -1.5644 0.4376 0.4376 0.7772 0.7772 1.4165 1.4165 1.6143 1.6143 1.7248 1.7248 1.8340 1.8340 2.6223 2.6223 2.6401 2.6401 3.2321 3.2321 3.3378 3.3378 3.4829 3.4829 3.5353 3.5353 4.4677 4.4677 4.6280 4.6280 4.7940 4.7940 5.1473 5.1473 8.5202 8.5202 8.8969 8.8969 9.4189 9.4189 9.5194 9.5194 9.9961 9.9961 k = 0.0000 0.5086 0.3552 ( 17302 PWs) bands (ev): -14.4038 -14.4038 -14.3830 -14.3830 -6.8279 -6.8279 -6.6838 -6.6838 -3.2439 -3.2439 -3.1945 -3.1945 -1.9487 -1.9487 -1.8746 -1.8746 -1.6185 -1.6185 -1.5710 -1.5710 0.4833 0.4833 0.7442 0.7442 1.4538 1.4538 1.6238 1.6238 1.7033 1.7033 1.7819 1.7819 2.6182 2.6182 2.6323 2.6323 3.2425 3.2425 3.3234 3.3234 3.4877 3.4877 3.5271 3.5271 4.5055 4.5055 4.6350 4.6350 4.8266 4.8266 5.1002 5.1002 8.5517 8.5517 8.8420 8.8420 9.4529 9.4529 9.5381 9.5381 10.0118 10.0118 k = 0.0000 0.5086 0.3730 ( 17296 PWs) bands (ev): -14.4004 -14.4004 -14.3865 -14.3865 -6.8049 -6.8049 -6.7086 -6.7086 -3.2355 -3.2355 -3.2024 -3.2024 -1.9360 -1.9360 -1.8863 -1.8863 -1.6103 -1.6103 -1.5782 -1.5782 0.5297 0.5297 0.7066 0.7066 1.4947 1.4947 1.6319 1.6319 1.6800 1.6800 1.7376 1.7376 2.6161 2.6161 2.6258 2.6258 3.2542 3.2542 3.3089 3.3089 3.4931 3.4931 3.5194 3.5194 4.5399 4.5399 4.6301 4.6301 4.8665 4.8665 5.0525 5.0525 8.5897 8.5897 8.7869 8.7869 9.4843 9.4843 9.5467 9.5467 10.0272 10.0272 k = 0.0000 0.5086 0.3908 ( 17298 PWs) bands (ev): -14.3969 -14.3969 -14.3899 -14.3899 -6.7814 -6.7814 -6.7331 -6.7331 -3.2271 -3.2271 -3.2105 -3.2105 -1.9233 -1.9233 -1.8984 -1.8984 -1.6021 -1.6021 -1.5858 -1.5858 0.5760 0.5760 0.6653 0.6653 1.5381 1.5381 1.6200 1.6200 1.6699 1.6699 1.7050 1.7050 2.6159 2.6159 2.6209 2.6209 3.2668 3.2668 3.2944 3.2944 3.4990 3.4990 3.5121 3.5121 4.5703 4.5703 4.6165 4.6165 4.9107 4.9107 5.0047 5.0047 8.6331 8.6331 8.7329 8.7329 9.5114 9.5114 9.5445 9.5445 10.0427 10.0427 k = 0.0000 0.5086 0.4085 ( 17296 PWs) bands (ev): -14.3934 -14.3934 -14.3934 -14.3934 -6.7575 -6.7575 -6.7575 -6.7575 -3.2188 -3.2188 -3.2188 -3.2188 -1.9108 -1.9108 -1.9108 -1.9108 -1.5939 -1.5939 -1.5939 -1.5939 0.6215 0.6215 0.6215 0.6215 1.5820 1.5820 1.5820 1.5820 1.6827 1.6827 1.6827 1.6827 2.6176 2.6176 2.6176 2.6176 3.2803 3.2803 3.2803 3.2803 3.5053 3.5053 3.5053 3.5053 4.5961 4.5961 4.5961 4.5961 4.9571 4.9571 4.9571 4.9571 8.6812 8.6812 8.6812 8.6812 9.5322 9.5322 9.5322 9.5322 10.0589 10.0589 k = 0.0000 0.5086 0.4085 ( 17296 PWs) bands (ev): -14.3934 -14.3934 -14.3934 -14.3934 -6.7575 -6.7575 -6.7575 -6.7575 -3.2188 -3.2188 -3.2188 -3.2188 -1.9108 -1.9108 -1.9108 -1.9108 -1.5939 -1.5939 -1.5939 -1.5939 0.6215 0.6215 0.6215 0.6215 1.5820 1.5820 1.5820 1.5820 1.6827 1.6827 1.6827 1.6827 2.6176 2.6176 2.6176 2.6176 3.2803 3.2803 3.2803 3.2803 3.5053 3.5053 3.5053 3.5053 4.5961 4.5961 4.5961 4.5961 4.9571 4.9571 4.9571 4.9571 8.6812 8.6812 8.6812 8.6812 9.5322 9.5322 9.5322 9.5322 10.0589 10.0589 k = 0.0176 0.5086 0.4085 ( 17294 PWs) bands (ev): -14.3934 -14.3934 -14.3934 -14.3934 -6.7575 -6.7575 -6.7573 -6.7573 -3.2209 -3.2209 -3.2171 -3.2171 -1.9124 -1.9124 -1.9099 -1.9099 -1.5955 -1.5955 -1.5928 -1.5928 0.6215 0.6215 0.6219 0.6219 1.5821 1.5821 1.5823 1.5823 1.6829 1.6829 1.6832 1.6832 2.6155 2.6155 2.6200 2.6200 3.2784 3.2784 3.2834 3.2834 3.5040 3.5040 3.5069 3.5069 4.5931 4.5931 4.5986 4.5986 4.9526 4.9526 4.9621 4.9621 8.6736 8.6736 8.6833 8.6833 9.5108 9.5108 9.5543 9.5543 10.0498 10.0498 k = 0.0352 0.5086 0.4085 ( 17294 PWs) bands (ev): -14.3934 -14.3934 -14.3934 -14.3934 -6.7573 -6.7573 -6.7569 -6.7569 -3.2233 -3.2233 -3.2158 -3.2158 -1.9147 -1.9147 -1.9097 -1.9097 -1.5976 -1.5976 -1.5922 -1.5922 0.6220 0.6220 0.6228 0.6228 1.5825 1.5825 1.5828 1.5828 1.6839 1.6839 1.6844 1.6844 2.6139 2.6139 2.6227 2.6227 3.2775 3.2775 3.2874 3.2874 3.5029 3.5029 3.5086 3.5086 4.5895 4.5895 4.6005 4.6005 4.9485 4.9485 4.9674 4.9674 8.6608 8.6608 8.6794 8.6794 9.4913 9.4913 9.5754 9.5754 10.0429 10.0429 k = 0.0528 0.5086 0.4085 ( 17294 PWs) bands (ev): -14.3934 -14.3934 -14.3934 -14.3934 -6.7570 -6.7570 -6.7564 -6.7564 -3.2262 -3.2262 -3.2149 -3.2149 -1.9177 -1.9177 -1.9102 -1.9102 -1.6002 -1.6002 -1.5923 -1.5923 0.6228 0.6228 0.6240 0.6240 1.5832 1.5832 1.5838 1.5838 1.6855 1.6855 1.6863 1.6863 2.6127 2.6127 2.6258 2.6258 3.2778 3.2778 3.2925 3.2925 3.5020 3.5020 3.5105 3.5105 4.5855 4.5855 4.6017 4.6017 4.9449 4.9449 4.9729 4.9729 8.6436 8.6436 8.6694 8.6694 9.4747 9.4747 9.5941 9.5941 10.0391 10.0391 k = 0.0704 0.5086 0.4085 ( 17292 PWs) bands (ev): -14.3933 -14.3933 -14.3933 -14.3933 -6.7565 -6.7565 -6.7556 -6.7556 -3.2293 -3.2293 -3.2144 -3.2144 -1.9214 -1.9214 -1.9113 -1.9113 -1.6032 -1.6032 -1.5929 -1.5929 0.6241 0.6241 0.6257 0.6257 1.5841 1.5841 1.5850 1.5850 1.6878 1.6878 1.6889 1.6889 2.6119 2.6119 2.6293 2.6293 3.2792 3.2792 3.2985 3.2985 3.5013 3.5013 3.5125 3.5125 4.5811 4.5811 4.6022 4.6022 4.9420 4.9420 4.9787 4.9787 8.6227 8.6227 8.6537 8.6537 9.4617 9.4617 9.6092 9.6092 10.0388 10.0388 k = 0.0880 0.5086 0.4085 ( 17274 PWs) bands (ev): -14.3932 -14.3932 -14.3932 -14.3932 -6.7559 -6.7559 -6.7548 -6.7548 -3.2328 -3.2328 -3.2144 -3.2144 -1.9258 -1.9258 -1.9131 -1.9131 -1.6065 -1.6065 -1.5941 -1.5941 0.6257 0.6257 0.6277 0.6277 1.5854 1.5854 1.5866 1.5866 1.6906 1.6906 1.6922 1.6922 2.6116 2.6116 2.6330 2.6330 3.2818 3.2818 3.3052 3.3052 3.5008 3.5008 3.5148 3.5148 4.5763 4.5763 4.6020 4.6020 4.9398 4.9398 4.9846 4.9846 8.5986 8.5986 8.6327 8.6327 9.4524 9.4524 9.6199 9.6199 10.0419 10.0419 k = 0.1056 0.5086 0.4085 ( 17272 PWs) bands (ev): -14.3932 -14.3932 -14.3931 -14.3931 -6.7550 -6.7550 -6.7538 -6.7538 -3.2365 -3.2365 -3.2148 -3.2148 -1.9307 -1.9307 -1.9155 -1.9155 -1.6101 -1.6101 -1.5959 -1.5959 0.6277 0.6277 0.6300 0.6300 1.5869 1.5869 1.5884 1.5884 1.6941 1.6941 1.6961 1.6961 2.6117 2.6117 2.6370 2.6370 3.2855 3.2855 3.3128 3.3128 3.5005 3.5005 3.5171 3.5171 4.5712 4.5712 4.6011 4.6011 4.9384 4.9384 4.9905 4.9905 8.5722 8.5722 8.6073 8.6073 9.4464 9.4464 9.6260 9.6260 10.0477 10.0477 k = 0.1232 0.5086 0.4085 ( 17272 PWs) bands (ev): -14.3931 -14.3931 -14.3930 -14.3930 -6.7541 -6.7541 -6.7526 -6.7526 -3.2404 -3.2404 -3.2156 -3.2156 -1.9363 -1.9363 -1.9185 -1.9185 -1.6140 -1.6140 -1.5982 -1.5982 0.6299 0.6299 0.6326 0.6326 1.5886 1.5886 1.5905 1.5905 1.6981 1.6981 1.7006 1.7006 2.6122 2.6122 2.6412 2.6412 3.2903 3.2903 3.3210 3.3210 3.5005 3.5005 3.5197 3.5197 4.5658 4.5658 4.5995 4.5995 4.9377 4.9377 4.9966 4.9966 8.5439 8.5439 8.5782 8.5782 9.4434 9.4434 9.6279 9.6279 10.0551 10.0551 k = 0.1408 0.5086 0.4085 ( 17274 PWs) bands (ev): -14.3930 -14.3930 -14.3929 -14.3929 -6.7530 -6.7530 -6.7513 -6.7513 -3.2445 -3.2445 -3.2168 -3.2168 -1.9423 -1.9423 -1.9219 -1.9219 -1.6181 -1.6181 -1.6010 -1.6010 0.6324 0.6324 0.6354 0.6354 1.5905 1.5905 1.5928 1.5928 1.7025 1.7025 1.7056 1.7056 2.6132 2.6132 2.6456 2.6456 3.2961 3.2961 3.3297 3.3297 3.5006 3.5006 3.5223 3.5223 4.5602 4.5602 4.5971 4.5971 4.9380 4.9380 5.0026 5.0026 8.5143 8.5143 8.5466 8.5466 9.4426 9.4426 9.6262 9.6262 10.0625 10.0625 k = 0.1584 0.5086 0.4085 ( 17280 PWs) bands (ev): -14.3928 -14.3928 -14.3928 -14.3928 -6.7517 -6.7517 -6.7499 -6.7499 -3.2487 -3.2487 -3.2184 -3.2184 -1.9487 -1.9487 -1.9259 -1.9259 -1.6224 -1.6224 -1.6043 -1.6043 0.6350 0.6350 0.6383 0.6383 1.5926 1.5926 1.5953 1.5953 1.7074 1.7074 1.7111 1.7111 2.6146 2.6146 2.6501 2.6501 3.3030 3.3030 3.3389 3.3389 3.5009 3.5009 3.5251 3.5251 4.5546 4.5546 4.5942 4.5942 4.9391 4.9391 5.0087 5.0087 8.4840 8.4840 8.5133 8.5133 9.4434 9.4434 9.6214 9.6214 10.0688 10.0688 k = 0.1761 0.5086 0.4085 ( 17270 PWs) bands (ev): -14.3927 -14.3927 -14.3927 -14.3927 -6.7504 -6.7504 -6.7484 -6.7484 -3.2530 -3.2530 -3.2204 -3.2204 -1.9555 -1.9555 -1.9302 -1.9302 -1.6267 -1.6267 -1.6080 -1.6080 0.6378 0.6378 0.6414 0.6414 1.5949 1.5949 1.5980 1.5980 1.7126 1.7126 1.7169 1.7169 2.6164 2.6164 2.6548 2.6548 3.3108 3.3108 3.3484 3.3484 3.5013 3.5013 3.5279 3.5279 4.5489 4.5489 4.5906 4.5906 4.9411 4.9411 5.0147 5.0147 8.4535 8.4535 8.4792 8.4792 9.4452 9.4452 9.6143 9.6143 10.0728 10.0728 k = 0.1937 0.5086 0.4085 ( 17272 PWs) bands (ev): -14.3926 -14.3926 -14.3925 -14.3925 -6.7489 -6.7489 -6.7468 -6.7468 -3.2573 -3.2573 -3.2227 -3.2227 -1.9626 -1.9626 -1.9350 -1.9350 -1.6311 -1.6311 -1.6121 -1.6121 0.6406 0.6406 0.6445 0.6445 1.5972 1.5972 1.6007 1.6007 1.7182 1.7182 1.7231 1.7231 2.6187 2.6187 2.6595 2.6595 3.3194 3.3194 3.3581 3.3581 3.5020 3.5020 3.5307 3.5307 4.5432 4.5432 4.5867 4.5867 4.9440 4.9440 5.0206 5.0206 8.4232 8.4232 8.4450 8.4450 9.4472 9.4472 9.6054 9.6054 10.0740 10.0740 k = 0.2113 0.5086 0.4085 ( 17280 PWs) bands (ev): -14.3924 -14.3924 -14.3924 -14.3924 -6.7473 -6.7473 -6.7452 -6.7452 -3.2616 -3.2616 -3.2252 -3.2252 -1.9698 -1.9698 -1.9401 -1.9401 -1.6354 -1.6354 -1.6164 -1.6164 0.6435 0.6435 0.6476 0.6476 1.5997 1.5997 1.6034 1.6034 1.7239 1.7239 1.7294 1.7294 2.6213 2.6213 2.6643 2.6643 3.3288 3.3288 3.3678 3.3678 3.5027 3.5027 3.5336 3.5336 4.5377 4.5377 4.5824 4.5824 4.9476 4.9476 5.0264 5.0264 8.3933 8.3933 8.4113 8.4113 9.4491 9.4491 9.5950 9.5950 10.0722 10.0722 k = 0.2289 0.5086 0.4085 ( 17278 PWs) bands (ev): -14.3923 -14.3923 -14.3922 -14.3922 -6.7457 -6.7457 -6.7435 -6.7435 -3.2659 -3.2659 -3.2281 -3.2281 -1.9771 -1.9771 -1.9454 -1.9454 -1.6398 -1.6398 -1.6210 -1.6210 0.6463 0.6463 0.6506 0.6506 1.6022 1.6022 1.6062 1.6062 1.7299 1.7299 1.7360 1.7360 2.6243 2.6243 2.6690 2.6690 3.3387 3.3387 3.3775 3.3775 3.5036 3.5036 3.5365 3.5365 4.5326 4.5326 4.5780 4.5780 4.9520 4.9520 5.0321 5.0321 8.3643 8.3643 8.3785 8.3785 9.4503 9.4503 9.5835 9.5835 10.0609 10.0609 k = 0.2465 0.5086 0.4085 ( 17288 PWs) bands (ev): -14.3922 -14.3922 -14.3921 -14.3921 -6.7440 -6.7440 -6.7417 -6.7417 -3.2700 -3.2700 -3.2312 -3.2312 -1.9844 -1.9844 -1.9510 -1.9510 -1.6441 -1.6441 -1.6257 -1.6257 0.6490 0.6490 0.6536 0.6536 1.6047 1.6047 1.6089 1.6089 1.7359 1.7359 1.7426 1.7426 2.6276 2.6276 2.6736 2.6736 3.3490 3.3490 3.3869 3.3869 3.5045 3.5045 3.5392 3.5392 4.5278 4.5278 4.5736 4.5736 4.9571 4.9571 5.0376 5.0376 8.3364 8.3364 8.3472 8.3472 9.4506 9.4506 9.5711 9.5711 10.0456 10.0456 k = 0.2641 0.5086 0.4085 ( 17282 PWs) bands (ev): -14.3920 -14.3920 -14.3920 -14.3920 -6.7423 -6.7423 -6.7399 -6.7399 -3.2740 -3.2740 -3.2344 -3.2344 -1.9916 -1.9916 -1.9568 -1.9568 -1.6483 -1.6483 -1.6305 -1.6305 0.6517 0.6517 0.6563 0.6563 1.6071 1.6071 1.6115 1.6115 1.7420 1.7420 1.7492 1.7492 2.6311 2.6311 2.6782 2.6782 3.3596 3.3596 3.3960 3.3960 3.5056 3.5056 3.5418 3.5418 4.5236 4.5236 4.5693 4.5693 4.9628 4.9628 5.0429 5.0429 8.3098 8.3098 8.3175 8.3175 9.4497 9.4497 9.5580 9.5580 10.0303 10.0303 k = 0.2817 0.5086 0.4085 ( 17284 PWs) bands (ev): -14.3919 -14.3919 -14.3918 -14.3918 -6.7405 -6.7405 -6.7382 -6.7382 -3.2777 -3.2777 -3.2379 -3.2379 -1.9986 -1.9986 -1.9627 -1.9627 -1.6523 -1.6523 -1.6353 -1.6353 0.6542 0.6542 0.6589 0.6589 1.6095 1.6095 1.6139 1.6139 1.7481 1.7481 1.7558 1.7558 2.6350 2.6350 2.6825 2.6825 3.3703 3.3703 3.4046 3.4046 3.5067 3.5067 3.5443 3.5443 4.5200 4.5200 4.5655 4.5655 4.9690 4.9690 5.0481 5.0481 8.2848 8.2848 8.2897 8.2897 9.4475 9.4475 9.5443 9.5443 10.0158 10.0158 k = 0.2993 0.5086 0.4085 ( 17294 PWs) bands (ev): -14.3917 -14.3917 -14.3917 -14.3917 -6.7388 -6.7388 -6.7364 -6.7364 -3.2813 -3.2813 -3.2414 -3.2414 -2.0053 -2.0053 -1.9687 -1.9687 -1.6562 -1.6562 -1.6400 -1.6400 0.6565 0.6565 0.6613 0.6613 1.6118 1.6118 1.6162 1.6162 1.7541 1.7541 1.7622 1.7622 2.6390 2.6390 2.6866 2.6866 3.3808 3.3808 3.4126 3.4126 3.5078 3.5078 3.5464 3.5464 4.5173 4.5173 4.5621 4.5621 4.9757 4.9757 5.0531 5.0531 8.2614 8.2614 8.2640 8.2640 9.4438 9.4438 9.5303 9.5303 10.0030 10.0030 k = 0.3169 0.5086 0.4085 ( 17296 PWs) bands (ev): -14.3916 -14.3916 -14.3916 -14.3916 -6.7370 -6.7370 -6.7347 -6.7347 -3.2845 -3.2845 -3.2450 -3.2450 -2.0117 -2.0117 -1.9747 -1.9747 -1.6599 -1.6599 -1.6446 -1.6446 0.6586 0.6586 0.6634 0.6634 1.6139 1.6139 1.6182 1.6182 1.7600 1.7600 1.7685 1.7685 2.6431 2.6431 2.6904 2.6904 3.3909 3.3909 3.4200 3.4200 3.5090 3.5090 3.5483 3.5483 4.5154 4.5154 4.5594 4.5594 4.9828 4.9828 5.0578 5.0578 8.2398 8.2398 8.2405 8.2405 9.4387 9.4387 9.5160 9.5160 9.9924 9.9924 k = 0.3345 0.5086 0.4085 ( 17288 PWs) bands (ev): -14.3915 -14.3915 -14.3914 -14.3914 -6.7353 -6.7353 -6.7330 -6.7330 -3.2874 -3.2874 -3.2486 -3.2486 -2.0176 -2.0176 -1.9807 -1.9807 -1.6633 -1.6633 -1.6491 -1.6491 0.6605 0.6605 0.6653 0.6653 1.6158 1.6158 1.6200 1.6200 1.7658 1.7658 1.7746 1.7746 2.6474 2.6474 2.6940 2.6940 3.4004 3.4004 3.4264 3.4264 3.5102 3.5102 3.5497 3.5497 4.5146 4.5146 4.5574 4.5574 4.9903 4.9903 5.0624 5.0624 8.2193 8.2193 8.2201 8.2201 9.4322 9.4322 9.5014 9.5014 9.9847 9.9847 k = 0.3521 0.5086 0.4085 ( 17290 PWs) bands (ev): -14.3914 -14.3914 -14.3913 -14.3913 -6.7336 -6.7336 -6.7314 -6.7314 -3.2900 -3.2900 -3.2522 -3.2522 -2.0230 -2.0230 -1.9865 -1.9865 -1.6665 -1.6665 -1.6534 -1.6534 0.6622 0.6622 0.6669 0.6669 1.6175 1.6175 1.6215 1.6215 1.7713 1.7713 1.7803 1.7803 2.6517 2.6517 2.6971 2.6971 3.4090 3.4090 3.4320 3.4320 3.5114 3.5114 3.5507 3.5507 4.5149 4.5149 4.5563 4.5563 4.9981 4.9981 5.0668 5.0668 8.2005 8.2005 8.2024 8.2024 9.4243 9.4243 9.4866 9.4866 9.9803 9.9803 k = 0.3697 0.5086 0.4085 ( 17288 PWs) bands (ev): -14.3913 -14.3913 -14.3912 -14.3912 -6.7320 -6.7320 -6.7298 -6.7298 -3.2921 -3.2921 -3.2558 -3.2558 -2.0279 -2.0279 -1.9922 -1.9922 -1.6695 -1.6695 -1.6574 -1.6574 0.6636 0.6636 0.6682 0.6682 1.6190 1.6190 1.6227 1.6227 1.7765 1.7765 1.7858 1.7858 2.6560 2.6560 2.6999 2.6999 3.4167 3.4167 3.4367 3.4367 3.5128 3.5128 3.5513 3.5513 4.5163 4.5163 4.5560 4.5560 5.0062 5.0062 5.0710 5.0710 8.1842 8.1842 8.1869 8.1869 9.4150 9.4150 9.4715 9.4715 9.9796 9.9796 k = 0.3873 0.5086 0.4085 ( 17286 PWs) bands (ev): -14.3912 -14.3912 -14.3912 -14.3912 -6.7304 -6.7304 -6.7284 -6.7284 -3.2939 -3.2939 -3.2592 -3.2592 -2.0321 -2.0321 -1.9976 -1.9976 -1.6722 -1.6722 -1.6611 -1.6611 0.6647 0.6647 0.6691 0.6691 1.6201 1.6201 1.6237 1.6237 1.7815 1.7815 1.7909 1.7909 2.6602 2.6602 2.7023 2.7023 3.4230 3.4230 3.4402 3.4402 3.5143 3.5143 3.5513 3.5513 4.5188 4.5188 4.5566 4.5566 5.0145 5.0145 5.0751 5.0751 8.1705 8.1705 8.1736 8.1736 9.4046 9.4046 9.4562 9.4562 9.9828 9.9828 k = 0.4049 0.5086 0.4085 ( 17288 PWs) bands (ev): -14.3911 -14.3911 -14.3911 -14.3911 -6.7290 -6.7290 -6.7271 -6.7271 -3.2953 -3.2953 -3.2626 -3.2626 -2.0357 -2.0357 -2.0028 -2.0028 -1.6746 -1.6746 -1.6645 -1.6645 0.6656 0.6656 0.6698 0.6698 1.6210 1.6210 1.6243 1.6243 1.7861 1.7861 1.7956 1.7956 2.6643 2.6643 2.7042 2.7042 3.4280 3.4280 3.4426 3.4426 3.5159 3.5159 3.5509 3.5509 4.5225 4.5225 4.5581 4.5581 5.0230 5.0230 5.0790 5.0790 8.1595 8.1595 8.1628 8.1628 9.3930 9.3930 9.4404 9.4404 9.9902 9.9902 k = 0.4225 0.5086 0.4085 ( 17302 PWs) bands (ev): -14.3911 -14.3911 -14.3910 -14.3910 -6.7276 -6.7276 -6.7258 -6.7258 -3.2962 -3.2962 -3.2657 -3.2657 -2.0386 -2.0386 -2.0076 -2.0076 -1.6766 -1.6766 -1.6675 -1.6675 0.6662 0.6662 0.6702 0.6702 1.6216 1.6216 1.6245 1.6245 1.7904 1.7904 1.7998 1.7998 2.6683 2.6683 2.7056 2.7056 3.4314 3.4314 3.4439 3.4439 3.5177 3.5177 3.5501 3.5501 4.5271 4.5271 4.5603 4.5603 5.0316 5.0316 5.0828 5.0828 8.1513 8.1513 8.1545 8.1545 9.3804 9.3804 9.4241 9.4241 10.0018 10.0018 k = 0.4225 0.5086 0.4085 ( 17302 PWs) bands (ev): -14.3911 -14.3911 -14.3910 -14.3910 -6.7276 -6.7276 -6.7258 -6.7258 -3.2962 -3.2962 -3.2657 -3.2657 -2.0386 -2.0386 -2.0076 -2.0076 -1.6766 -1.6766 -1.6675 -1.6675 0.6662 0.6662 0.6702 0.6702 1.6216 1.6216 1.6245 1.6245 1.7904 1.7904 1.7998 1.7998 2.6683 2.6683 2.7056 2.7056 3.4314 3.4314 3.4439 3.4439 3.5177 3.5177 3.5501 3.5501 4.5271 4.5271 4.5603 4.5603 5.0316 5.0316 5.0828 5.0828 8.1513 8.1513 8.1545 8.1545 9.3804 9.3804 9.4241 9.4241 10.0018 10.0018 k = 0.4114 0.4952 0.4085 ( 17298 PWs) bands (ev): -14.3911 -14.3911 -14.3911 -14.3911 -6.7297 -6.7297 -6.7277 -6.7277 -3.2949 -3.2949 -3.2609 -3.2609 -2.0343 -2.0343 -2.0003 -2.0003 -1.6735 -1.6735 -1.6628 -1.6628 0.6655 0.6655 0.6698 0.6698 1.6209 1.6209 1.6243 1.6243 1.7838 1.7838 1.7931 1.7931 2.6623 2.6623 2.7034 2.7034 3.4270 3.4270 3.4428 3.4428 3.5148 3.5148 3.5516 3.5516 4.5192 4.5192 4.5560 4.5560 5.0179 5.0179 5.0767 5.0767 8.1625 8.1625 8.1660 8.1660 9.4014 9.4014 9.4502 9.4502 9.9799 9.9799 k = 0.4003 0.4819 0.4085 ( 17278 PWs) bands (ev): -14.3912 -14.3912 -14.3912 -14.3912 -6.7319 -6.7319 -6.7298 -6.7298 -3.2931 -3.2931 -3.2561 -3.2561 -2.0293 -2.0293 -1.9929 -1.9929 -1.6699 -1.6699 -1.6577 -1.6577 0.6648 0.6648 0.6694 0.6694 1.6202 1.6202 1.6241 1.6241 1.7769 1.7769 1.7854 1.7854 2.6562 2.6562 2.7006 2.7006 3.4218 3.4218 3.4416 3.4416 3.5118 3.5118 3.5530 3.5530 4.5113 4.5113 4.5514 4.5514 5.0037 5.0037 5.0703 5.0703 8.1751 8.1751 8.1788 8.1788 9.4231 9.4231 9.4764 9.4764 9.9569 9.9569 k = 0.3892 0.4685 0.4085 ( 17284 PWs) bands (ev): -14.3913 -14.3913 -14.3913 -14.3913 -6.7343 -6.7343 -6.7319 -6.7319 -3.2910 -3.2910 -3.2512 -3.2512 -2.0237 -2.0237 -1.9853 -1.9853 -1.6659 -1.6659 -1.6522 -1.6522 0.6641 0.6641 0.6689 0.6689 1.6195 1.6195 1.6238 1.6238 1.7697 1.7697 1.7770 1.7770 2.6501 2.6501 2.6972 2.6972 3.4159 3.4159 3.4403 3.4403 3.5089 3.5089 3.5542 3.5542 4.5039 4.5039 4.5465 4.5465 4.9894 4.9894 5.0636 5.0636 8.1890 8.1890 8.1929 8.1929 9.4444 9.4444 9.5017 9.5017 9.9335 9.9335 k = 0.3780 0.4551 0.4085 ( 17296 PWs) bands (ev): -14.3914 -14.3914 -14.3914 -14.3914 -6.7366 -6.7366 -6.7341 -6.7341 -3.2885 -3.2885 -3.2464 -3.2464 -2.0176 -2.0176 -1.9779 -1.9779 -1.6617 -1.6617 -1.6465 -1.6465 0.6634 0.6634 0.6683 0.6683 1.6188 1.6188 1.6236 1.6236 1.7624 1.7624 1.7677 1.7677 2.6442 2.6442 2.6932 2.6932 3.4091 3.4091 3.4388 3.4388 3.5061 3.5061 3.5553 3.5553 4.4972 4.4972 4.5416 4.5416 4.9754 4.9754 5.0570 5.0570 8.2042 8.2042 8.2082 8.2082 9.4639 9.4639 9.5245 9.5245 9.9104 9.9104 k = 0.3669 0.4417 0.4085 ( 17296 PWs) bands (ev): -14.3916 -14.3916 -14.3915 -14.3915 -6.7390 -6.7390 -6.7363 -6.7363 -3.2857 -3.2857 -3.2417 -3.2417 -2.0111 -2.0111 -1.9705 -1.9705 -1.6571 -1.6571 -1.6405 -1.6405 0.6628 0.6628 0.6677 0.6677 1.6180 1.6180 1.6233 1.6233 1.7551 1.7551 1.7579 1.7579 2.6386 2.6386 2.6889 2.6889 3.4015 3.4015 3.4373 3.4373 3.5034 3.5034 3.5561 3.5561 4.4913 4.4913 4.5367 4.5367 4.9618 4.9618 5.0506 5.0506 8.2205 8.2205 8.2247 8.2247 9.4800 9.4800 9.5435 9.5435 9.8883 9.8883 k = 0.3558 0.4283 0.4085 ( 17302 PWs) bands (ev): -14.3917 -14.3917 -14.3916 -14.3916 -6.7413 -6.7413 -6.7385 -6.7385 -3.2826 -3.2826 -3.2371 -3.2371 -2.0043 -2.0043 -1.9634 -1.9634 -1.6524 -1.6524 -1.6344 -1.6344 0.6623 0.6623 0.6671 0.6671 1.6172 1.6172 1.6230 1.6230 1.7477 1.7477 1.7480 1.7480 2.6332 2.6332 2.6841 2.6841 3.3931 3.3931 3.4358 3.4358 3.5009 3.5009 3.5568 3.5568 4.4866 4.4866 4.5321 4.5321 4.9490 4.9490 5.0447 5.0447 8.2379 8.2379 8.2422 8.2422 9.4910 9.4910 9.5574 9.5574 9.8677 9.8677 k = 0.3447 0.4149 0.4085 ( 17292 PWs) bands (ev): -14.3918 -14.3918 -14.3918 -14.3918 -6.7435 -6.7435 -6.7407 -6.7407 -3.2794 -3.2794 -3.2327 -3.2327 -1.9974 -1.9974 -1.9566 -1.9566 -1.6476 -1.6476 -1.6284 -1.6284 0.6619 0.6619 0.6664 0.6664 1.6164 1.6164 1.6226 1.6226 1.7371 1.7371 1.7412 1.7412 2.6282 2.6282 2.6791 2.6791 3.3840 3.3840 3.4342 3.4342 3.4986 3.4986 3.5572 3.5572 4.4831 4.4831 4.5279 4.5279 4.9373 4.9373 5.0393 5.0393 8.2562 8.2562 8.2605 8.2605 9.4953 9.4953 9.5652 9.5652 9.8489 9.8489 k = 0.3336 0.4015 0.4085 ( 17284 PWs) bands (ev): -14.3920 -14.3920 -14.3919 -14.3919 -6.7456 -6.7456 -6.7427 -6.7427 -3.2760 -3.2760 -3.2286 -3.2286 -1.9904 -1.9904 -1.9501 -1.9501 -1.6427 -1.6427 -1.6226 -1.6226 0.6615 0.6615 0.6657 0.6657 1.6156 1.6156 1.6223 1.6223 1.7265 1.7265 1.7349 1.7349 2.6237 2.6237 2.6738 2.6738 3.3743 3.3743 3.4326 3.4326 3.4964 3.4964 3.5575 3.5575 4.4810 4.4810 4.5243 4.5243 4.9269 4.9269 5.0346 5.0346 8.2752 8.2752 8.2797 8.2797 9.4919 9.4919 9.5667 9.5667 9.8315 9.8315 k = 0.3225 0.3882 0.4085 ( 17288 PWs) bands (ev): -14.3922 -14.3922 -14.3921 -14.3921 -6.7476 -6.7476 -6.7446 -6.7446 -3.2725 -3.2725 -3.2248 -3.2248 -1.9834 -1.9834 -1.9441 -1.9441 -1.6380 -1.6380 -1.6171 -1.6171 0.6612 0.6612 0.6649 0.6649 1.6148 1.6148 1.6220 1.6220 1.7159 1.7159 1.7291 1.7291 2.6196 2.6196 2.6683 2.6683 3.3642 3.3642 3.4310 3.4310 3.4944 3.4944 3.5574 3.5574 4.4804 4.4804 4.5212 4.5212 4.9179 4.9179 5.0308 5.0308 8.2947 8.2947 8.2994 8.2994 9.4804 9.4804 9.5624 9.5624 9.8142 9.8142 k = 0.3113 0.3748 0.4085 ( 17294 PWs) bands (ev): -14.3923 -14.3923 -14.3923 -14.3923 -6.7493 -6.7493 -6.7463 -6.7463 -3.2690 -3.2690 -3.2213 -3.2213 -1.9766 -1.9766 -1.9384 -1.9384 -1.6334 -1.6334 -1.6120 -1.6120 0.6611 0.6611 0.6642 0.6642 1.6141 1.6141 1.6217 1.6217 1.7056 1.7056 1.7240 1.7240 2.6161 2.6161 2.6628 2.6628 3.3536 3.3536 3.4293 3.4293 3.4926 3.4926 3.5571 3.5571 4.4813 4.4813 4.5189 4.5189 4.9107 4.9107 5.0281 5.0281 8.3146 8.3146 8.3195 8.3195 9.4610 9.4610 9.5528 9.5528 9.7956 9.7956 k = 0.3002 0.3614 0.4085 ( 17302 PWs) bands (ev): -14.3925 -14.3925 -14.3925 -14.3925 -6.7508 -6.7508 -6.7478 -6.7478 -3.2655 -3.2655 -3.2181 -3.2181 -1.9700 -1.9700 -1.9332 -1.9332 -1.6291 -1.6291 -1.6076 -1.6076 0.6610 0.6610 0.6635 0.6635 1.6133 1.6133 1.6215 1.6215 1.6957 1.6957 1.7197 1.7197 2.6132 2.6132 2.6574 2.6574 3.3430 3.3430 3.4277 3.4277 3.4909 3.4909 3.5566 3.5566 4.4837 4.4837 4.5173 4.5173 4.9054 4.9054 5.0266 5.0266 8.3346 8.3346 8.3399 8.3399 9.4345 9.4345 9.5388 9.5388 9.7741 9.7741 k = 0.2891 0.3480 0.4085 ( 17294 PWs) bands (ev): -14.3927 -14.3927 -14.3927 -14.3927 -6.7521 -6.7521 -6.7491 -6.7491 -3.2620 -3.2620 -3.2153 -3.2153 -1.9637 -1.9637 -1.9285 -1.9285 -1.6252 -1.6252 -1.6039 -1.6039 0.6611 0.6611 0.6629 0.6629 1.6126 1.6126 1.6212 1.6212 1.6864 1.6864 1.7164 1.7164 2.6108 2.6108 2.6520 2.6520 3.3323 3.3323 3.4261 3.4261 3.4893 3.4893 3.5558 3.5558 4.4874 4.4874 4.5165 4.5165 4.9023 4.9023 5.0265 5.0265 8.3543 8.3543 8.3602 8.3602 9.4014 9.4014 9.5201 9.5201 9.7493 9.7493 k = 0.2780 0.3346 0.4085 ( 17310 PWs) bands (ev): -14.3929 -14.3929 -14.3929 -14.3929 -6.7531 -6.7531 -6.7501 -6.7501 -3.2586 -3.2586 -3.2129 -3.2129 -1.9577 -1.9577 -1.9242 -1.9242 -1.6219 -1.6219 -1.6010 -1.6010 0.6613 0.6613 0.6622 0.6622 1.6120 1.6120 1.6210 1.6210 1.6780 1.6780 1.7140 1.7140 2.6090 2.6090 2.6468 2.6468 3.3218 3.3218 3.4244 3.4244 3.4879 3.4879 3.5547 3.5547 4.4924 4.4924 4.5164 4.5164 4.9014 4.9014 5.0278 5.0278 8.3734 8.3734 8.3802 8.3802 9.3621 9.3621 9.4956 9.4956 9.6984 9.6984 k = 0.2669 0.3212 0.4085 ( 17314 PWs) bands (ev): -14.3932 -14.3932 -14.3931 -14.3931 -6.7538 -6.7538 -6.7508 -6.7508 -3.2554 -3.2554 -3.2110 -3.2110 -1.9521 -1.9521 -1.9203 -1.9203 -1.6191 -1.6191 -1.5991 -1.5991 0.6615 0.6615 0.6617 0.6617 1.6116 1.6116 1.6209 1.6209 1.6704 1.6704 1.7128 1.7128 2.6078 2.6078 2.6419 2.6419 3.3115 3.3115 3.4228 3.4228 3.4865 3.4865 3.5534 3.5534 4.4984 4.4984 4.5169 4.5169 4.9029 4.9029 5.0308 5.0308 8.3916 8.3916 8.3996 8.3996 9.3169 9.3169 9.4616 9.4616 9.6458 9.6458 k = 0.2557 0.3079 0.4085 ( 17300 PWs) bands (ev): -14.3934 -14.3934 -14.3933 -14.3933 -6.7541 -6.7541 -6.7512 -6.7512 -3.2524 -3.2524 -3.2094 -3.2094 -1.9469 -1.9469 -1.9170 -1.9170 -1.6171 -1.6171 -1.5982 -1.5982 0.6612 0.6612 0.6619 0.6619 1.6113 1.6113 1.6207 1.6207 1.6638 1.6638 1.7126 1.7126 2.6071 2.6071 2.6374 2.6374 3.3018 3.3018 3.4212 3.4212 3.4852 3.4852 3.5518 3.5518 4.5053 4.5053 4.5181 4.5181 4.9070 4.9070 5.0355 5.0355 8.4085 8.4085 8.4181 8.4181 9.2660 9.2660 9.4134 9.4134 9.6021 9.6021 k = 0.2446 0.2945 0.4085 ( 17280 PWs) bands (ev): -14.3936 -14.3936 -14.3936 -14.3936 -6.7542 -6.7542 -6.7514 -6.7514 -3.2495 -3.2495 -3.2083 -3.2083 -1.9422 -1.9422 -1.9140 -1.9140 -1.6158 -1.6158 -1.5983 -1.5983 0.6608 0.6608 0.6623 0.6623 1.6113 1.6113 1.6206 1.6206 1.6583 1.6583 1.7135 1.7135 2.6071 2.6071 2.6333 2.6333 3.2927 3.2927 3.4195 3.4195 3.4840 3.4840 3.5499 3.5499 4.5128 4.5128 4.5197 4.5197 4.9137 4.9137 5.0421 5.0421 8.4236 8.4236 8.4354 8.4354 9.2103 9.2103 9.3499 9.3499 9.5714 9.5714 k = 0.2335 0.2811 0.4085 ( 17274 PWs) bands (ev): -14.3939 -14.3939 -14.3938 -14.3938 -6.7540 -6.7540 -6.7512 -6.7512 -3.2469 -3.2469 -3.2075 -3.2075 -1.9379 -1.9379 -1.9116 -1.9116 -1.6152 -1.6152 -1.5994 -1.5994 0.6604 0.6604 0.6628 0.6628 1.6115 1.6115 1.6206 1.6206 1.6539 1.6539 1.7155 1.7155 2.6075 2.6075 2.6296 2.6296 3.2842 3.2842 3.4178 3.4178 3.4828 3.4828 3.5477 3.5477 4.5208 4.5208 4.5218 4.5218 4.9231 4.9231 5.0505 5.0505 8.4363 8.4363 8.4510 8.4510 9.1507 9.1507 9.2754 9.2754 9.5519 9.5519 k = 0.2224 0.2677 0.4085 ( 17270 PWs) bands (ev): -14.3941 -14.3941 -14.3941 -14.3941 -6.7534 -6.7534 -6.7508 -6.7508 -3.2446 -3.2446 -3.2072 -3.2072 -1.9341 -1.9341 -1.9095 -1.9095 -1.6155 -1.6155 -1.6015 -1.6015 0.6602 0.6602 0.6634 0.6634 1.6121 1.6121 1.6206 1.6206 1.6506 1.6506 1.7186 1.7186 2.6085 2.6085 2.6266 2.6266 3.2766 3.2766 3.4162 3.4162 3.4817 3.4817 3.5453 3.5453 4.5242 4.5242 4.5289 4.5289 4.9352 4.9352 5.0610 5.0610 8.4462 8.4462 8.4647 8.4647 9.0888 9.0888 9.1955 9.1955 9.5406 9.5406 k = 0.2113 0.2543 0.4085 ( 17274 PWs) bands (ev): -14.3944 -14.3944 -14.3943 -14.3943 -6.7526 -6.7526 -6.7500 -6.7500 -3.2425 -3.2425 -3.2072 -3.2072 -1.9308 -1.9308 -1.9079 -1.9079 -1.6166 -1.6166 -1.6045 -1.6045 0.6601 0.6601 0.6640 0.6640 1.6130 1.6130 1.6206 1.6206 1.6485 1.6485 1.7225 1.7225 2.6100 2.6100 2.6241 2.6241 3.2698 3.2698 3.4144 3.4144 3.4806 3.4806 3.5425 3.5425 4.5268 4.5268 4.5371 4.5371 4.9499 4.9499 5.0733 5.0733 8.4528 8.4528 8.4759 8.4759 9.0264 9.0264 9.1141 9.1141 9.5352 9.5352 k = 0.2001 0.2409 0.4085 ( 17258 PWs) bands (ev): -14.3947 -14.3947 -14.3946 -14.3946 -6.7515 -6.7515 -6.7490 -6.7490 -3.2407 -3.2407 -3.2077 -3.2077 -1.9280 -1.9280 -1.9068 -1.9068 -1.6185 -1.6185 -1.6083 -1.6083 0.6600 0.6600 0.6646 0.6646 1.6141 1.6141 1.6206 1.6206 1.6476 1.6476 1.7273 1.7273 2.6118 2.6118 2.6222 2.6222 3.2640 3.2640 3.4127 3.4127 3.4795 3.4795 3.5395 3.5395 4.5296 4.5296 4.5450 4.5450 4.9670 4.9670 5.0876 5.0876 8.4553 8.4553 8.4843 8.4843 8.9651 8.9651 9.0340 9.0340 9.5348 9.5348 k = 0.1890 0.2275 0.4085 ( 17266 PWs) bands (ev): -14.3949 -14.3949 -14.3949 -14.3949 -6.7501 -6.7501 -6.7477 -6.7477 -3.2392 -3.2392 -3.2084 -3.2084 -1.9256 -1.9256 -1.9060 -1.9060 -1.6211 -1.6211 -1.6129 -1.6129 0.6601 0.6601 0.6652 0.6652 1.6154 1.6154 1.6207 1.6207 1.6480 1.6480 1.7328 1.7328 2.6141 2.6141 2.6210 2.6210 3.2592 3.2592 3.4108 3.4108 3.4785 3.4785 3.5361 3.5361 4.5325 4.5325 4.5526 4.5526 4.9864 4.9864 5.1036 5.1036 8.4532 8.4532 8.4894 8.4894 8.9069 8.9069 8.9572 8.9572 9.5387 9.5387 k = 0.1779 0.2142 0.4085 ( 17262 PWs) bands (ev): -14.3952 -14.3952 -14.3951 -14.3951 -6.7485 -6.7485 -6.7462 -6.7462 -3.2380 -3.2380 -3.2095 -3.2095 -1.9237 -1.9237 -1.9057 -1.9057 -1.6243 -1.6243 -1.6180 -1.6180 0.6603 0.6603 0.6658 0.6658 1.6167 1.6167 1.6208 1.6208 1.6499 1.6499 1.7387 1.7387 2.6167 2.6167 2.6205 2.6205 3.2555 3.2555 3.4089 3.4089 3.4774 3.4774 3.5325 3.5325 4.5355 4.5355 4.5596 4.5596 5.0078 5.0078 5.1211 5.1211 8.4461 8.4461 8.4904 8.4904 8.8533 8.8533 8.8856 8.8856 9.5465 9.5465 k = 0.1668 0.2008 0.4085 ( 17270 PWs) bands (ev): -14.3954 -14.3954 -14.3954 -14.3954 -6.7467 -6.7467 -6.7446 -6.7446 -3.2371 -3.2371 -3.2109 -3.2109 -1.9223 -1.9223 -1.9057 -1.9057 -1.6281 -1.6281 -1.6236 -1.6236 0.6605 0.6605 0.6664 0.6664 1.6177 1.6177 1.6209 1.6209 1.6533 1.6533 1.7450 1.7450 2.6196 2.6196 2.6206 2.6206 3.2528 3.2528 3.4068 3.4068 3.4764 3.4764 3.5286 3.5286 4.5386 4.5386 4.5661 4.5661 5.0308 5.0308 5.1398 5.1398 8.4337 8.4337 8.4867 8.4867 8.8057 8.8057 8.8208 8.8208 9.5578 9.5578 k = 0.1557 0.1874 0.4085 ( 17282 PWs) bands (ev): -14.3957 -14.3957 -14.3957 -14.3957 -6.7447 -6.7447 -6.7427 -6.7427 -3.2364 -3.2364 -3.2125 -3.2125 -1.9213 -1.9213 -1.9062 -1.9062 -1.6323 -1.6323 -1.6295 -1.6295 0.6609 0.6609 0.6669 0.6669 1.6185 1.6185 1.6210 1.6210 1.6581 1.6581 1.7514 1.7514 2.6214 2.6214 2.6227 2.6227 3.2513 3.2513 3.4046 3.4046 3.4754 3.4754 3.5244 3.5244 4.5418 4.5418 4.5720 4.5720 5.0553 5.0553 5.1595 5.1595 8.4161 8.4161 8.4772 8.4772 8.7646 8.7646 8.7648 8.7648 9.5722 9.5722 k = 0.1445 0.1740 0.4085 ( 17290 PWs) bands (ev): -14.3959 -14.3959 -14.3959 -14.3959 -6.7426 -6.7426 -6.7408 -6.7408 -3.2360 -3.2360 -3.2143 -3.2143 -1.9207 -1.9207 -1.9069 -1.9069 -1.6368 -1.6368 -1.6355 -1.6355 0.6613 0.6613 0.6675 0.6675 1.6191 1.6191 1.6211 1.6211 1.6642 1.6642 1.7577 1.7577 2.6227 2.6227 2.6259 2.6259 3.2508 3.2508 3.4022 3.4022 3.4744 3.4744 3.5200 3.5200 4.5450 4.5450 4.5771 4.5771 5.0806 5.0806 5.1798 5.1798 8.3942 8.3942 8.4613 8.4613 8.7185 8.7185 8.7307 8.7307 9.5891 9.5891 k = 0.1334 0.1606 0.4085 ( 17286 PWs) bands (ev): -14.3962 -14.3962 -14.3961 -14.3961 -6.7405 -6.7405 -6.7387 -6.7387 -3.2358 -3.2358 -3.2162 -3.2162 -1.9204 -1.9204 -1.9081 -1.9081 -1.6415 -1.6415 -1.6415 -1.6415 0.6618 0.6618 0.6679 0.6679 1.6196 1.6196 1.6213 1.6213 1.6713 1.6713 1.7638 1.7638 2.6246 2.6246 2.6293 2.6293 3.2514 3.2514 3.3995 3.3995 3.4735 3.4735 3.5153 3.5153 4.5484 4.5484 4.5816 4.5816 5.1066 5.1066 5.2002 5.2002 8.3694 8.3694 8.4389 8.4389 8.6828 8.6828 8.7029 8.7029 9.6082 9.6082 k = 0.1223 0.1472 0.4085 ( 17282 PWs) bands (ev): -14.3964 -14.3964 -14.3964 -14.3964 -6.7382 -6.7382 -6.7367 -6.7367 -3.2358 -3.2358 -3.2183 -3.2183 -1.9206 -1.9206 -1.9095 -1.9095 -1.6474 -1.6474 -1.6463 -1.6463 0.6623 0.6623 0.6683 0.6683 1.6199 1.6199 1.6214 1.6214 1.6794 1.6794 1.7695 1.7695 2.6270 2.6270 2.6327 2.6327 3.2532 3.2532 3.3965 3.3965 3.4726 3.4726 3.5106 3.5106 4.5518 4.5518 4.5854 4.5854 5.1326 5.1326 5.2203 5.2203 8.3434 8.3434 8.4117 8.4117 8.6565 8.6565 8.6802 8.6802 9.6288 9.6288 k = 0.1112 0.1338 0.4085 ( 17258 PWs) bands (ev): -14.3966 -14.3966 -14.3966 -14.3966 -6.7360 -6.7360 -6.7346 -6.7346 -3.2360 -3.2360 -3.2205 -3.2205 -1.9209 -1.9209 -1.9111 -1.9111 -1.6530 -1.6530 -1.6511 -1.6511 0.6629 0.6629 0.6687 0.6687 1.6202 1.6202 1.6215 1.6215 1.6880 1.6880 1.7746 1.7746 2.6298 2.6298 2.6360 2.6360 3.2560 3.2560 3.3931 3.3931 3.4717 3.4717 3.5057 3.5057 4.5553 4.5553 4.5885 4.5885 5.1583 5.1583 5.2398 5.2398 8.3177 8.3177 8.3821 8.3821 8.6376 8.6376 8.6616 8.6616 9.6504 9.6504 k = 0.1001 0.1205 0.4085 ( 17254 PWs) bands (ev): -14.3968 -14.3968 -14.3968 -14.3968 -6.7339 -6.7339 -6.7326 -6.7326 -3.2363 -3.2363 -3.2227 -3.2227 -1.9216 -1.9216 -1.9129 -1.9129 -1.6582 -1.6582 -1.6557 -1.6557 0.6635 0.6635 0.6690 0.6690 1.6204 1.6204 1.6216 1.6216 1.6971 1.6971 1.7789 1.7789 2.6328 2.6328 2.6393 2.6393 3.2599 3.2599 3.3893 3.3893 3.4709 3.4709 3.5009 3.5009 4.5588 4.5588 4.5910 4.5910 5.1833 5.1833 5.2581 5.2581 8.2938 8.2938 8.3526 8.3526 8.6237 8.6237 8.6462 8.6462 9.6723 9.6723 k = 0.0890 0.1071 0.4085 ( 17256 PWs) bands (ev): -14.3970 -14.3970 -14.3970 -14.3970 -6.7318 -6.7318 -6.7306 -6.7306 -3.2366 -3.2366 -3.2248 -3.2248 -1.9223 -1.9223 -1.9148 -1.9148 -1.6630 -1.6630 -1.6601 -1.6601 0.6641 0.6641 0.6692 0.6692 1.6207 1.6207 1.6217 1.6217 1.7065 1.7065 1.7823 1.7823 2.6359 2.6359 2.6424 2.6424 3.2647 3.2647 3.3850 3.3850 3.4702 3.4702 3.4961 3.4961 4.5624 4.5624 4.5928 4.5928 5.2072 5.2072 5.2749 5.2749 8.2725 8.2725 8.3250 8.3250 8.6132 8.6132 8.6332 8.6332 9.6940 9.6940 k = 0.0778 0.0937 0.4085 ( 17256 PWs) bands (ev): -14.3972 -14.3972 -14.3972 -14.3972 -6.7298 -6.7298 -6.7288 -6.7288 -3.2370 -3.2370 -3.2269 -3.2269 -1.9232 -1.9232 -1.9168 -1.9168 -1.6672 -1.6672 -1.6643 -1.6643 0.6647 0.6647 0.6694 0.6694 1.6209 1.6209 1.6218 1.6218 1.7160 1.7160 1.7848 1.7848 2.6391 2.6391 2.6453 2.6453 3.2705 3.2705 3.3800 3.3800 3.4696 3.4696 3.4916 3.4916 4.5660 4.5660 4.5940 4.5940 5.2297 5.2297 5.2899 5.2899 8.2545 8.2545 8.3003 8.3003 8.6050 8.6050 8.6222 8.6222 9.7149 9.7149 k = 0.0667 0.0803 0.4085 ( 17246 PWs) bands (ev): -14.3973 -14.3973 -14.3973 -14.3973 -6.7280 -6.7280 -6.7272 -6.7272 -3.2373 -3.2373 -3.2289 -3.2289 -1.9241 -1.9241 -1.9187 -1.9187 -1.6709 -1.6709 -1.6680 -1.6680 0.6654 0.6654 0.6695 0.6695 1.6210 1.6210 1.6219 1.6219 1.7254 1.7254 1.7863 1.7863 2.6423 2.6423 2.6479 2.6479 3.2771 3.2771 3.3745 3.3745 3.4691 3.4691 3.4873 3.4873 4.5696 4.5696 4.5947 4.5947 5.2503 5.2503 5.3027 5.3027 8.2399 8.2399 8.2790 8.2790 8.5986 8.5986 8.6128 8.6128 9.7343 9.7343 k = 0.0556 0.0669 0.4085 ( 17260 PWs) bands (ev): -14.3975 -14.3975 -14.3974 -14.3974 -6.7264 -6.7264 -6.7257 -6.7257 -3.2376 -3.2376 -3.2307 -3.2307 -1.9249 -1.9249 -1.9206 -1.9206 -1.6740 -1.6740 -1.6713 -1.6713 0.6660 0.6660 0.6695 0.6695 1.6212 1.6212 1.6220 1.6220 1.7345 1.7345 1.7866 1.7866 2.6452 2.6452 2.6501 2.6501 3.2845 3.2845 3.3682 3.3682 3.4688 3.4688 3.4834 3.4834 4.5731 4.5731 4.5948 4.5948 5.2690 5.2690 5.3132 5.3132 8.2288 8.2288 8.2611 8.2611 8.5934 8.5934 8.6049 8.6049 9.7518 9.7518 k = 0.0445 0.0535 0.4085 ( 17252 PWs) bands (ev): -14.3976 -14.3976 -14.3976 -14.3976 -6.7251 -6.7251 -6.7245 -6.7245 -3.2378 -3.2378 -3.2324 -3.2324 -1.9257 -1.9257 -1.9222 -1.9222 -1.6764 -1.6764 -1.6741 -1.6741 0.6665 0.6665 0.6694 0.6694 1.6214 1.6214 1.6220 1.6220 1.7433 1.7433 1.7859 1.7859 2.6479 2.6479 2.6519 2.6519 3.2925 3.2925 3.3612 3.3612 3.4687 3.4687 3.4800 3.4800 4.5765 4.5765 4.5944 4.5944 5.2853 5.2853 5.3211 5.3211 8.2209 8.2209 8.2466 8.2466 8.5895 8.5895 8.5983 8.5983 9.7668 9.7669 k = 0.0334 0.0402 0.4085 ( 17262 PWs) bands (ev): -14.3976 -14.3976 -14.3976 -14.3976 -6.7240 -6.7240 -6.7235 -6.7235 -3.2378 -3.2378 -3.2338 -3.2338 -1.9262 -1.9262 -1.9237 -1.9237 -1.6783 -1.6783 -1.6764 -1.6764 0.6671 0.6671 0.6693 0.6693 1.6215 1.6215 1.6220 1.6220 1.7515 1.7515 1.7840 1.7840 2.6502 2.6502 2.6532 2.6532 3.3010 3.3010 3.3536 3.3536 3.4688 3.4688 3.4770 3.4770 4.5798 4.5798 4.5935 4.5935 5.2993 5.2993 5.3264 5.3264 8.2159 8.2159 8.2351 8.2351 8.5866 8.5866 8.5930 8.5930 9.7791 9.7821 k = 0.0222 0.0268 0.4085 ( 17270 PWs) bands (ev): -14.3977 -14.3977 -14.3977 -14.3977 -6.7231 -6.7231 -6.7229 -6.7229 -3.2377 -3.2377 -3.2351 -3.2351 -1.9266 -1.9266 -1.9249 -1.9249 -1.6795 -1.6795 -1.6782 -1.6782 0.6676 0.6676 0.6691 0.6691 1.6217 1.6217 1.6220 1.6220 1.7591 1.7591 1.7810 1.7810 2.6520 2.6520 2.6541 2.6541 3.3099 3.3099 3.3455 3.3455 3.4692 3.4692 3.4746 3.4746 4.5828 4.5828 4.5921 4.5921 5.3107 5.3107 5.3288 5.3288 8.2136 8.2136 8.2263 8.2263 8.5848 8.5848 8.5890 8.5890 9.7884 9.7901 k = 0.0111 0.0134 0.4085 ( 17268 PWs) bands (ev): -14.3977 -14.3977 -14.3977 -14.3977 -6.7226 -6.7226 -6.7225 -6.7225 -3.2374 -3.2374 -3.2361 -3.2361 -1.9266 -1.9266 -1.9258 -1.9258 -1.6801 -1.6801 -1.6794 -1.6794 0.6681 0.6681 0.6688 0.6688 1.6218 1.6218 1.6220 1.6220 1.7660 1.7660 1.7770 1.7770 2.6533 2.6533 2.6544 2.6544 3.3189 3.3189 3.3369 3.3369 3.4700 3.4700 3.4726 3.4726 4.5856 4.5856 4.5903 4.5903 5.3194 5.3194 5.3285 5.3285 8.2136 8.2136 8.2199 8.2199 8.5841 8.5841 8.5862 8.5862 9.7947 9.7949 k = 0.0000 0.0000 0.4085 ( 17276 PWs) bands (ev): -14.3978 -14.3978 -14.3978 -14.3978 -6.7224 -6.7224 -6.7224 -6.7224 -3.2368 -3.2368 -3.2368 -3.2368 -1.9264 -1.9264 -1.9264 -1.9264 -1.6800 -1.6800 -1.6800 -1.6800 0.6685 0.6685 0.6685 0.6685 1.6219 1.6219 1.6219 1.6219 1.7719 1.7719 1.7719 1.7719 2.6541 2.6541 2.6541 2.6541 3.3279 3.3279 3.3279 3.3279 3.4711 3.4711 3.4711 3.4711 4.5882 4.5882 4.5882 4.5882 5.3253 5.3253 5.3253 5.3253 8.2157 8.2157 8.2157 8.2157 8.5846 8.5846 8.5846 8.5846 9.7962 9.7962 k = 0.0000 0.0000 0.4085 ( 17276 PWs) bands (ev): -14.3978 -14.3978 -14.3978 -14.3978 -6.7224 -6.7224 -6.7224 -6.7224 -3.2368 -3.2368 -3.2368 -3.2368 -1.9264 -1.9264 -1.9264 -1.9264 -1.6800 -1.6800 -1.6800 -1.6800 0.6685 0.6685 0.6685 0.6685 1.6219 1.6219 1.6219 1.6219 1.7719 1.7719 1.7719 1.7719 2.6541 2.6541 2.6541 2.6541 3.3279 3.3279 3.3279 3.3279 3.4711 3.4711 3.4711 3.4711 4.5882 4.5882 4.5882 4.5882 5.3253 5.3253 5.3253 5.3253 8.2157 8.2157 8.2157 8.2157 8.5846 8.5846 8.5846 8.5846 9.7962 9.7962 k = 0.0000 0.0000 0.3908 ( 17280 PWs) bands (ev): -14.4017 -14.4017 -14.3938 -14.3938 -6.7457 -6.7457 -6.6987 -6.6987 -3.2467 -3.2467 -3.2270 -3.2270 -1.9365 -1.9365 -1.9170 -1.9170 -1.6888 -1.6888 -1.6708 -1.6708 0.6259 0.6259 0.7096 0.7096 1.5817 1.5817 1.6602 1.6602 1.7526 1.7526 1.7963 1.7963 2.6495 2.6495 2.6604 2.6604 3.2956 3.2956 3.3597 3.3597 3.4625 3.4625 3.4820 3.4820 4.5764 4.5764 4.5963 4.5963 5.2904 5.2904 5.3589 5.3589 8.1756 8.1756 8.2585 8.2585 8.5670 8.5670 8.6028 8.6028 9.7017 9.7017 k = 0.0000 0.0000 0.3730 ( 17259 PWs) bands (ev): -14.4056 -14.4056 -14.3899 -14.3899 -6.7686 -6.7686 -6.6748 -6.6748 -3.2567 -3.2567 -3.2173 -3.2173 -1.9477 -1.9477 -1.9085 -1.9085 -1.6969 -1.6969 -1.6614 -1.6614 0.5828 0.5828 0.7485 0.7485 1.5419 1.5419 1.6939 1.6939 1.7368 1.7368 1.8276 1.8276 2.6467 2.6467 2.6684 2.6684 3.2639 3.2639 3.3886 3.3886 3.4567 3.4567 3.4958 3.4958 4.5610 4.5610 4.6008 4.6008 5.2543 5.2543 5.3912 5.3912 8.1385 8.1385 8.3037 8.3037 8.5505 8.5505 8.6210 8.6210 9.6140 9.6140 k = 0.0000 0.0000 0.3552 ( 17261 PWs) bands (ev): -14.4095 -14.4095 -14.3860 -14.3860 -6.7909 -6.7909 -6.6508 -6.6508 -3.2667 -3.2667 -3.2077 -3.2077 -1.9599 -1.9599 -1.9007 -1.9007 -1.7041 -1.7041 -1.6520 -1.6520 0.5395 0.5395 0.7842 0.7842 1.5042 1.5042 1.7179 1.7179 1.7271 1.7271 1.8670 1.8670 2.6458 2.6458 2.6778 2.6778 3.2337 3.2337 3.4099 3.4099 3.4561 3.4561 3.5140 3.5140 4.5419 4.5419 4.6020 4.6020 5.2171 5.2171 5.4220 5.4220 8.1043 8.1043 8.3500 8.3500 8.5352 8.5352 8.6379 8.6379 9.5351 9.5351 k = 0.0000 0.0000 0.3375 ( 17261 PWs) bands (ev): -14.4134 -14.4134 -14.3821 -14.3821 -6.8126 -6.8126 -6.6266 -6.6266 -3.2768 -3.2768 -3.1982 -3.1982 -1.9731 -1.9731 -1.8936 -1.8936 -1.7103 -1.7103 -1.6427 -1.6427 0.4966 0.4966 0.8155 0.8155 1.4697 1.4697 1.7102 1.7102 1.7454 1.7454 1.9138 1.9138 2.6469 2.6469 2.6884 2.6884 3.2056 3.2056 3.4183 3.4183 3.4642 3.4642 3.5376 3.5376 4.5192 4.5192 4.6002 4.6002 5.1789 5.1789 5.4514 5.4514 8.0731 8.0731 8.3942 8.3942 8.5231 8.5231 8.6520 8.6520 9.4673 9.4673 k = 0.0000 0.0000 0.3197 ( 17243 PWs) bands (ev): -14.4171 -14.4171 -14.3783 -14.3783 -6.8337 -6.8337 -6.6026 -6.6026 -3.2869 -3.2869 -3.1888 -3.1888 -1.9872 -1.9872 -1.8870 -1.8870 -1.7152 -1.7152 -1.6336 -1.6336 0.4545 0.4545 0.8413 0.8413 1.4397 1.4397 1.7004 1.7004 1.7635 1.7635 1.9660 1.9660 2.6502 2.6502 2.7001 2.7001 3.1803 3.1803 3.4178 3.4178 3.4769 3.4769 3.5663 3.5663 4.4932 4.4932 4.5956 4.5956 5.1399 5.1399 5.4794 5.4794 8.0447 8.0447 8.4240 8.4240 8.5244 8.5244 8.6615 8.6615 9.4130 9.4130 k = 0.0000 0.0000 0.3019 ( 17241 PWs) bands (ev): -14.4208 -14.4208 -14.3747 -14.3747 -6.8540 -6.8540 -6.5787 -6.5787 -3.2971 -3.2971 -3.1795 -3.1795 -2.0023 -2.0023 -1.8809 -1.8809 -1.7189 -1.7189 -1.6250 -1.6250 0.4135 0.4135 0.8605 0.8605 1.4147 1.4147 1.6921 1.6921 1.7789 1.7789 2.0222 2.0222 2.6556 2.6556 2.7127 2.7127 3.1582 3.1582 3.4145 3.4145 3.4894 3.4894 3.5981 3.5981 4.4638 4.4638 4.5888 4.5888 5.1002 5.1002 5.5058 5.5058 8.0191 8.0191 8.4210 8.4210 8.5551 8.5551 8.6648 8.6648 9.3745 9.3745 k = 0.0000 0.0000 0.2842 ( 17253 PWs) bands (ev): -14.4244 -14.4244 -14.3711 -14.3711 -6.8735 -6.8735 -6.5551 -6.5551 -3.3074 -3.3074 -3.1705 -3.1705 -2.0180 -2.0180 -1.8753 -1.8753 -1.7213 -1.7213 -1.6168 -1.6168 0.3738 0.3738 0.8723 0.8723 1.3954 1.3954 1.6854 1.6854 1.7923 1.7923 2.0809 2.0809 2.6633 2.6633 2.7257 2.7257 3.1399 3.1399 3.4106 3.4106 3.5007 3.5007 3.6309 3.6309 4.4314 4.4314 4.5804 4.5804 5.0600 5.0600 5.5307 5.5307 7.9960 7.9960 8.3934 8.3934 8.6036 8.6036 8.6621 8.6621 9.3534 9.3534 k = 0.0000 0.0000 0.2664 ( 17269 PWs) bands (ev): -14.4278 -14.4278 -14.3676 -14.3676 -6.8921 -6.8921 -6.5320 -6.5320 -3.3177 -3.3177 -3.1616 -3.1616 -2.0343 -2.0343 -1.8702 -1.8702 -1.7225 -1.7225 -1.6090 -1.6090 0.3357 0.3357 0.8766 0.8766 1.3817 1.3817 1.6805 1.6805 1.8042 1.8042 2.1413 2.1413 2.6733 2.6733 2.7387 2.7387 3.1262 3.1262 3.4070 3.4070 3.5112 3.5112 3.6630 3.6630 4.3962 4.3962 4.5710 4.5710 5.0196 5.0196 5.5542 5.5542 7.9751 7.9751 8.3532 8.3532 8.6311 8.6311 8.6784 8.6784 9.3504 9.3504 k = 0.0000 0.0000 0.2487 ( 17255 PWs) bands (ev): -14.4311 -14.4311 -14.3643 -14.3643 -6.9097 -6.9097 -6.5094 -6.5094 -3.3279 -3.3279 -3.1529 -3.1529 -2.0509 -2.0509 -1.8654 -1.8654 -1.7225 -1.7225 -1.6018 -1.6018 0.2993 0.2993 0.8737 0.8737 1.3729 1.3729 1.6773 1.6773 1.8149 1.8149 2.2025 2.2025 2.6857 2.6857 2.7514 2.7514 3.1176 3.1176 3.4039 3.4039 3.5210 3.5210 3.6932 3.6932 4.3583 4.3583 4.5614 4.5614 4.9791 4.9791 5.5761 5.5761 7.9560 7.9560 8.3049 8.3049 8.6108 8.6108 8.7362 8.7362 9.3649 9.3649 k = 0.0000 0.0000 0.2309 ( 17261 PWs) bands (ev): -14.4343 -14.4343 -14.3612 -14.3612 -6.9264 -6.9264 -6.4876 -6.4876 -3.3380 -3.3380 -3.1446 -3.1446 -2.0676 -2.0676 -1.8611 -1.8611 -1.7215 -1.7215 -1.5950 -1.5950 0.2647 0.2647 0.8647 0.8647 1.3679 1.3679 1.6757 1.6757 1.8245 1.8245 2.2637 2.2637 2.7005 2.7005 2.7635 2.7635 3.1148 3.1148 3.4014 3.4014 3.5303 3.5303 3.7202 3.7202 4.3182 4.3182 4.5524 4.5524 4.9389 4.9389 5.5965 5.5965 7.9379 7.9379 8.2518 8.2518 8.5758 8.5758 8.8015 8.8015 9.3954 9.3954 k = 0.0000 0.0000 0.2131 ( 17255 PWs) bands (ev): -14.4373 -14.4373 -14.3582 -14.3582 -6.9420 -6.9420 -6.4665 -6.4665 -3.3481 -3.3481 -3.1366 -3.1366 -2.0840 -2.0840 -1.8570 -1.8570 -1.7197 -1.7197 -1.5887 -1.5887 0.2322 0.2322 0.8511 0.8511 1.3654 1.3654 1.6756 1.6756 1.8331 1.8331 2.3238 2.3238 2.7175 2.7175 2.7747 2.7747 3.1183 3.1183 3.3998 3.3998 3.5391 3.5391 3.7428 3.7428 4.2761 4.2761 4.5447 4.5447 4.8992 4.8992 5.6153 5.6153 7.9199 7.9199 8.1968 8.1968 8.5316 8.5316 8.8694 8.8694 9.4398 9.4398 k = 0.0000 0.0000 0.1954 ( 17255 PWs) bands (ev): -14.4400 -14.4400 -14.3554 -14.3554 -6.9566 -6.9566 -6.4465 -6.4465 -3.3579 -3.3579 -3.1290 -3.1290 -2.1000 -2.1000 -1.8533 -1.8533 -1.7172 -1.7172 -1.5829 -1.5829 0.2017 0.2017 0.8344 0.8344 1.3645 1.3645 1.6767 1.6767 1.8407 1.8407 2.3816 2.3816 2.7364 2.7364 2.7857 2.7857 3.1284 3.1284 3.3992 3.3992 3.5476 3.5476 3.7600 3.7600 4.2323 4.2323 4.5392 4.5392 4.8604 4.8604 5.6327 5.6327 7.9005 7.9005 8.1435 8.1435 8.4807 8.4807 8.9388 8.9388 9.4955 9.4955 k = 0.0000 0.0000 0.1776 ( 17265 PWs) bands (ev): -14.4426 -14.4426 -14.3528 -14.3528 -6.9700 -6.9700 -6.4276 -6.4276 -3.3674 -3.3674 -3.1218 -3.1218 -2.1154 -2.1154 -1.8499 -1.8499 -1.7142 -1.7142 -1.5775 -1.5775 0.1735 0.1735 0.8157 0.8157 1.3641 1.3641 1.6787 1.6787 1.8473 1.8473 2.4358 2.4358 2.7554 2.7554 2.7981 2.7981 3.1450 3.1450 3.3998 3.3998 3.5556 3.5556 3.7708 3.7708 4.1872 4.1872 4.5364 4.5364 4.8229 4.8229 5.6486 5.6486 7.8777 7.8777 8.0952 8.0952 8.4255 8.4255 9.0091 9.0091 9.5600 9.5600 k = 0.0000 0.0000 0.1599 ( 17261 PWs) bands (ev): -14.4450 -14.4450 -14.3504 -14.3504 -6.9823 -6.9823 -6.4099 -6.4099 -3.3765 -3.3765 -3.1151 -3.1151 -2.1298 -2.1298 -1.8467 -1.8467 -1.7110 -1.7110 -1.5726 -1.5726 0.1475 0.1475 0.7963 0.7963 1.3639 1.3639 1.6813 1.6813 1.8532 1.8532 2.4852 2.4852 2.7715 2.7715 2.8157 2.8157 3.1676 3.1676 3.4019 3.4019 3.5634 3.5634 3.7746 3.7746 4.1411 4.1411 4.5366 4.5366 4.7871 4.7871 5.6629 5.6629 7.8498 7.8498 8.0555 8.0555 8.3683 8.3683 9.0796 9.0796 9.6305 9.6305 k = 0.0000 0.0000 0.1421 ( 17255 PWs) bands (ev): -14.4472 -14.4472 -14.3482 -14.3482 -6.9933 -6.9933 -6.3937 -6.3937 -3.3850 -3.3850 -3.1089 -3.1089 -2.1432 -2.1432 -1.8438 -1.8438 -1.7077 -1.7077 -1.5680 -1.5680 0.1240 0.1240 0.7772 0.7772 1.3634 1.3634 1.6842 1.6842 1.8582 1.8582 2.5283 2.5283 2.7824 2.7824 2.8408 2.8408 3.1954 3.1954 3.4059 3.4059 3.5710 3.5710 3.7711 3.7711 4.0941 4.0941 4.5400 4.5400 4.7533 4.7533 5.6758 5.6758 7.8160 7.8160 8.0259 8.0259 8.3114 8.3114 9.1495 9.1495 9.7041 9.7041 k = 0.0000 0.0000 0.1243 ( 17253 PWs) bands (ev): -14.4491 -14.4491 -14.3462 -14.3462 -7.0031 -7.0031 -6.3790 -6.3790 -3.3930 -3.3930 -3.1034 -3.1034 -2.1554 -2.1554 -1.8413 -1.8413 -1.7044 -1.7044 -1.5639 -1.5639 0.1029 0.1029 0.7589 0.7589 1.3628 1.3628 1.6870 1.6870 1.8624 1.8624 2.5644 2.5644 2.7899 2.7899 2.8714 2.8714 3.2272 3.2272 3.4124 3.4124 3.5784 3.5784 3.7607 3.7607 4.0465 4.0465 4.5462 4.5462 4.7220 4.7220 5.6871 5.6871 7.7782 7.7782 8.0056 8.0056 8.2565 8.2565 9.2180 9.2180 9.7777 9.7777 k = 0.0000 0.0000 0.1066 ( 17271 PWs) bands (ev): -14.4508 -14.4508 -14.3445 -14.3445 -7.0117 -7.0117 -6.3660 -6.3660 -3.4001 -3.4001 -3.0984 -3.0984 -2.1662 -2.1662 -1.8390 -1.8390 -1.7013 -1.7013 -1.5603 -1.5603 0.0844 0.0844 0.7421 0.7421 1.3620 1.3620 1.6897 1.6897 1.8660 1.8660 2.5935 2.5935 2.7958 2.7958 2.9048 2.9048 3.2612 3.2612 3.4225 3.4225 3.5859 3.5859 3.7442 3.7442 3.9984 3.9984 4.5544 4.5544 4.6936 4.6936 5.6969 5.6969 7.7395 7.7395 7.9925 7.9925 8.2055 8.2055 9.2839 9.2839 9.8480 9.8480 k = 0.0000 0.0000 0.0888 ( 17267 PWs) bands (ev): -14.4523 -14.4523 -14.3431 -14.3431 -7.0190 -7.0190 -6.3548 -6.3548 -3.4064 -3.4064 -3.0942 -3.0942 -2.1755 -2.1755 -1.8370 -1.8370 -1.6985 -1.6985 -1.5571 -1.5571 0.0686 0.0686 0.7272 0.7272 1.3610 1.3610 1.6921 1.6921 1.8689 1.8689 2.6158 2.6158 2.8011 2.8011 2.9382 2.9382 3.2948 3.2948 3.4374 3.4374 3.5939 3.5939 3.7228 3.7228 3.9498 3.9498 4.5637 4.5637 4.6687 4.6687 5.7053 5.7053 7.7028 7.7028 7.9843 7.9843 8.1597 8.1597 9.3458 9.3458 9.9116 9.9116 k = 0.0000 0.0000 0.0710 ( 17275 PWs) bands (ev): -14.4535 -14.4535 -14.3419 -14.3419 -7.0250 -7.0250 -6.3454 -6.3454 -3.4118 -3.4118 -3.0906 -3.0906 -2.1832 -2.1832 -1.8353 -1.8353 -1.6960 -1.6960 -1.5544 -1.5544 0.0555 0.0555 0.7145 0.7145 1.3600 1.3600 1.6941 1.6941 1.8711 1.8711 2.6324 2.6324 2.8060 2.8060 2.9693 2.9693 3.3251 3.3251 3.4585 3.4585 3.6029 3.6029 3.6985 3.6985 3.9008 3.9008 4.5732 4.5732 4.6476 4.6476 5.7121 5.7121 7.6704 7.6704 7.9792 7.9792 8.1205 8.1205 9.4018 9.4018 9.9654 9.9654 k = 0.0000 0.0000 0.0533 ( 17299 PWs) bands (ev): -14.4544 -14.4544 -14.3410 -14.3410 -7.0297 -7.0297 -6.3381 -6.3381 -3.4160 -3.4160 -3.0878 -3.0878 -2.1893 -2.1893 -1.8340 -1.8340 -1.6941 -1.6941 -1.5523 -1.5523 0.0452 0.0452 0.7045 0.7045 1.3592 1.3592 1.6956 1.6956 1.8729 1.8729 2.6441 2.6441 2.8103 2.8103 2.9960 2.9960 3.3495 3.3495 3.4856 3.4856 3.6131 3.6131 3.6741 3.6741 3.8519 3.8519 4.5819 4.5819 4.6306 4.6306 5.7174 5.7174 7.6438 7.6438 7.9763 7.9763 8.0887 8.0887 9.4497 9.4497 10.0074 10.0074 k = 0.0000 0.0000 0.0355 ( 17297 PWs) bands (ev): -14.4551 -14.4551 -14.3403 -14.3403 -7.0330 -7.0330 -6.3327 -6.3327 -3.4191 -3.4191 -3.0858 -3.0858 -2.1937 -2.1937 -1.8331 -1.8331 -1.6927 -1.6927 -1.5508 -1.5508 0.0379 0.0379 0.6971 0.6971 1.3585 1.3585 1.6967 1.6967 1.8741 1.8741 2.6517 2.6517 2.8137 2.8137 3.0164 3.0164 3.3672 3.3672 3.5156 3.5156 3.6194 3.6194 3.6588 3.6588 3.8042 3.8042 4.5890 4.5890 4.6179 4.6179 5.7212 5.7212 7.6241 7.6241 7.9748 7.9748 8.0653 8.0653 9.4869 9.4869 10.0368 10.0368 k = 0.0000 0.0000 0.0178 ( 17297 PWs) bands (ev): -14.4555 -14.4555 -14.3399 -14.3399 -7.0350 -7.0350 -6.3295 -6.3295 -3.4210 -3.4210 -3.0846 -3.0846 -2.1963 -2.1963 -1.8325 -1.8325 -1.6918 -1.6918 -1.5498 -1.5498 0.0334 0.0334 0.6926 0.6926 1.3581 1.3581 1.6974 1.6974 1.8748 1.8748 2.6560 2.6560 2.8159 2.8159 3.0293 3.0293 3.3781 3.3781 3.5431 3.5431 3.6077 3.6077 3.6702 3.6702 3.7605 3.7605 4.5941 4.5941 4.6097 4.6097 5.7234 5.7234 7.6120 7.6120 7.9742 7.9742 8.0508 8.0508 9.5105 9.5105 10.0540 10.0540 k = 0.0000 0.0000 0.0000 ( 17281 PWs) bands (ev): -14.4556 -14.4556 -14.3397 -14.3397 -7.0357 -7.0357 -6.3285 -6.3285 -3.4217 -3.4217 -3.0842 -3.0842 -2.1972 -2.1972 -1.8323 -1.8323 -1.6915 -1.6915 -1.5495 -1.5495 0.0319 0.0319 0.6912 0.6912 1.3579 1.3579 1.6976 1.6976 1.8750 1.8750 2.6574 2.6574 2.8167 2.8167 3.0336 3.0336 3.3818 3.3818 3.5577 3.5577 3.5962 3.5962 3.6866 3.6866 3.7353 3.7353 4.5963 4.5963 4.6065 4.6065 5.7242 5.7242 7.6080 7.6080 7.9740 7.9740 8.0460 8.0460 9.5187 9.5187 10.0596 10.0596 k = 0.0000 0.0000 0.0000 ( 17281 PWs) bands (ev): -14.4556 -14.4556 -14.3397 -14.3397 -7.0357 -7.0357 -6.3285 -6.3285 -3.4217 -3.4217 -3.0842 -3.0842 -2.1972 -2.1972 -1.8323 -1.8323 -1.6915 -1.6915 -1.5495 -1.5495 0.0319 0.0319 0.6912 0.6912 1.3579 1.3579 1.6976 1.6976 1.8750 1.8750 2.6574 2.6574 2.8167 2.8167 3.0336 3.0336 3.3818 3.3818 3.5577 3.5577 3.5962 3.5962 3.6866 3.6866 3.7353 3.7353 4.5963 4.5963 4.6065 4.6065 5.7242 5.7242 7.6080 7.6080 7.9740 7.9740 8.0460 8.0460 9.5187 9.5187 10.0596 10.0596 k =-0.0135 0.0112 0.0000 ( 17285 PWs) bands (ev): -14.4556 -14.4556 -14.3398 -14.3398 -7.0358 -7.0358 -6.3283 -6.3283 -3.4215 -3.4215 -3.0845 -3.0845 -2.1969 -2.1969 -1.8323 -1.8323 -1.6919 -1.6919 -1.5501 -1.5501 0.0321 0.0321 0.6914 0.6914 1.3580 1.3580 1.6979 1.6979 1.8751 1.8751 2.6575 2.6575 2.8161 2.8161 3.0337 3.0337 3.3812 3.3812 3.5521 3.5521 3.5985 3.5985 3.6836 3.6836 3.7406 3.7406 4.5953 4.5953 4.6070 4.6070 5.7245 5.7245 7.6047 7.6047 7.9721 7.9721 8.0640 8.0640 9.5100 9.5100 10.0567 10.0567 k =-0.0270 0.0225 0.0000 ( 17287 PWs) bands (ev): -14.4555 -14.4555 -14.3398 -14.3398 -7.0362 -7.0362 -6.3280 -6.3280 -3.4209 -3.4209 -3.0853 -3.0853 -2.1958 -2.1958 -1.8324 -1.8324 -1.6929 -1.6929 -1.5521 -1.5521 0.0328 0.0328 0.6922 0.6922 1.3583 1.3583 1.6989 1.6989 1.8755 1.8755 2.6578 2.6578 2.8144 2.8144 3.0341 3.0341 3.3791 3.3791 3.5384 3.5384 3.6027 3.6027 3.6779 3.6779 3.7528 3.7528 4.5924 4.5924 4.6083 4.6083 5.7255 5.7255 7.5966 7.5966 7.9737 7.9737 8.1092 8.1092 9.4851 9.4851 10.0478 10.0478 k =-0.0405 0.0337 0.0000 ( 17293 PWs) bands (ev): -14.4553 -14.4553 -14.3398 -14.3398 -7.0368 -7.0368 -6.3275 -6.3275 -3.4200 -3.4200 -3.0866 -3.0866 -2.1940 -2.1940 -1.8326 -1.8326 -1.6946 -1.6946 -1.5552 -1.5552 0.0337 0.0337 0.6934 0.6934 1.3588 1.3588 1.7004 1.7004 1.8761 1.8761 2.6583 2.6583 2.8117 2.8117 3.0347 3.0347 3.3755 3.3755 3.5210 3.5210 3.6066 3.6066 3.6726 3.6726 3.7670 3.7670 4.5882 4.5882 4.6098 4.6098 5.7273 5.7273 7.5877 7.5877 7.9841 7.9841 8.1719 8.1719 9.4462 9.4462 10.0328 10.0328 k =-0.0541 0.0449 0.0000 ( 17297 PWs) bands (ev): -14.4550 -14.4550 -14.3399 -14.3399 -7.0375 -7.0375 -6.3267 -6.3267 -3.4187 -3.4187 -3.0884 -3.0884 -2.1915 -2.1915 -1.8328 -1.8328 -1.6968 -1.6968 -1.5596 -1.5596 0.0350 0.0350 0.6949 0.6949 1.3596 1.3596 1.7026 1.7026 1.8769 1.8769 2.6590 2.6590 2.8079 2.8079 3.0357 3.0357 3.3702 3.3702 3.5027 3.5027 3.6093 3.6093 3.6689 3.6689 3.7803 3.7803 4.5827 4.5827 4.6115 4.6115 5.7297 5.7297 7.5820 7.5820 8.0038 8.0038 8.2470 8.2470 9.3966 9.3966 10.0114 10.0114 k =-0.0676 0.0561 0.0000 ( 17287 PWs) bands (ev): -14.4547 -14.4547 -14.3400 -14.3400 -7.0385 -7.0385 -6.3259 -6.3259 -3.4171 -3.4171 -3.0906 -3.0906 -2.1884 -2.1884 -1.8332 -1.8332 -1.6997 -1.6997 -1.5650 -1.5650 0.0366 0.0366 0.6968 0.6968 1.3605 1.3605 1.7053 1.7053 1.8780 1.8780 2.6598 2.6598 2.8032 2.8032 3.0369 3.0369 3.3630 3.3630 3.4853 3.4853 3.6110 3.6110 3.6664 3.6664 3.7913 3.7913 4.5759 4.5759 4.6132 4.6132 5.7330 5.7330 7.5828 7.5828 8.0318 8.0318 8.3314 8.3314 9.3391 9.3391 9.9835 9.9835 k =-0.0811 0.0674 0.0000 ( 17265 PWs) bands (ev): -14.4543 -14.4543 -14.3402 -14.3402 -7.0395 -7.0395 -6.3249 -6.3249 -3.4152 -3.4152 -3.0933 -3.0933 -2.1848 -2.1848 -1.8338 -1.8338 -1.7031 -1.7031 -1.5713 -1.5713 0.0383 0.0383 0.6988 0.6988 1.3616 1.3616 1.7086 1.7086 1.8793 1.8793 2.6608 2.6608 2.7977 2.7977 3.0386 3.0386 3.3540 3.3540 3.4701 3.4701 3.6119 3.6119 3.6651 3.6651 3.7989 3.7989 4.5679 4.5679 4.6148 4.6148 5.7371 5.7371 7.5921 7.5921 8.0674 8.0674 8.4226 8.4226 9.2765 9.2765 9.9490 9.9490 k =-0.0946 0.0786 0.0000 ( 17261 PWs) bands (ev): -14.4539 -14.4539 -14.3403 -14.3403 -7.0407 -7.0407 -6.3238 -6.3238 -3.4130 -3.4130 -3.0964 -3.0964 -2.1806 -2.1806 -1.8345 -1.8345 -1.7069 -1.7069 -1.5785 -1.5785 0.0402 0.0402 0.7008 0.7008 1.3628 1.3628 1.7125 1.7125 1.8810 1.8810 2.6619 2.6619 2.7917 2.7917 3.0407 3.0407 3.3436 3.3436 3.4575 3.4575 3.6119 3.6119 3.6643 3.6643 3.8029 3.8029 4.5585 4.5585 4.6164 4.6164 5.7420 5.7420 7.6114 7.6114 8.1100 8.1100 8.5184 8.5184 9.2108 9.2108 9.9083 9.9083 k =-0.1081 0.0898 0.0000 ( 17265 PWs) bands (ev): -14.4534 -14.4534 -14.3405 -14.3405 -7.0419 -7.0419 -6.3227 -6.3227 -3.4106 -3.4106 -3.0999 -3.0999 -2.1760 -2.1760 -1.8355 -1.8355 -1.7111 -1.7111 -1.5864 -1.5864 0.0421 0.0421 0.7028 0.7028 1.3643 1.3643 1.7167 1.7167 1.8829 1.8829 2.6631 2.6631 2.7855 2.7855 3.0433 3.0433 3.3327 3.3327 3.4472 3.4472 3.6113 3.6113 3.6640 3.6640 3.8032 3.8032 4.5480 4.5480 4.6179 4.6179 5.7479 5.7479 7.6410 7.6410 8.1591 8.1591 8.6167 8.6167 9.1441 9.1441 9.8621 9.8621 k =-0.1216 0.1010 0.0000 ( 17273 PWs) bands (ev): -14.4528 -14.4528 -14.3406 -14.3406 -7.0432 -7.0432 -6.3216 -6.3216 -3.4081 -3.4081 -3.1036 -3.1036 -2.1710 -2.1710 -1.8368 -1.8368 -1.7156 -1.7156 -1.5948 -1.5948 0.0440 0.0440 0.7046 0.7046 1.3658 1.3658 1.7214 1.7214 1.8850 1.8850 2.6644 2.6644 2.7794 2.7794 3.0464 3.0464 3.3220 3.3220 3.4388 3.4388 3.6101 3.6101 3.6638 3.6638 3.8000 3.8000 4.5363 4.5363 4.6193 4.6193 5.7547 5.7547 7.6811 7.6811 8.2141 8.2141 8.7140 8.7140 9.0795 9.0795 9.8112 9.8112 k =-0.1351 0.1123 0.0000 ( 17283 PWs) bands (ev): -14.4522 -14.4522 -14.3408 -14.3408 -7.0444 -7.0444 -6.3206 -6.3206 -3.4053 -3.4053 -3.1077 -3.1077 -2.1657 -2.1657 -1.8383 -1.8383 -1.7203 -1.7203 -1.6036 -1.6036 0.0458 0.0458 0.7063 0.7063 1.3674 1.3674 1.7263 1.7263 1.8874 1.8874 2.6655 2.6655 2.7739 2.7739 3.0499 3.0499 3.3125 3.3125 3.4315 3.4315 3.6083 3.6083 3.6635 3.6635 3.7938 3.7938 4.5235 4.5235 4.6206 4.6206 5.7624 5.7624 7.7314 7.7314 8.2747 8.2747 8.8018 8.8018 9.0246 9.0246 9.7570 9.7570 k =-0.1486 0.1235 0.0000 ( 17273 PWs) bands (ev): -14.4515 -14.4515 -14.3410 -14.3410 -7.0455 -7.0455 -6.3198 -6.3198 -3.4025 -3.4025 -3.1119 -3.1119 -2.1603 -2.1603 -1.8401 -1.8401 -1.7252 -1.7252 -1.6127 -1.6127 0.0475 0.0475 0.7077 0.7077 1.3690 1.3690 1.7314 1.7314 1.8899 1.8899 2.6666 2.6666 2.7693 2.7693 3.0539 3.0539 3.3047 3.3047 3.4248 3.4248 3.6059 3.6059 3.6628 3.6628 3.7854 3.7854 4.5098 4.5098 4.6217 4.6217 5.7710 5.7710 7.7912 7.7912 8.3404 8.3404 8.8470 8.8470 9.0119 9.0119 9.7008 9.7008 k =-0.1622 0.1347 0.0000 ( 17285 PWs) bands (ev): -14.4509 -14.4509 -14.3413 -14.3413 -7.0465 -7.0465 -6.3191 -6.3191 -3.3997 -3.3997 -3.1163 -3.1163 -2.1547 -2.1547 -1.8423 -1.8423 -1.7302 -1.7302 -1.6218 -1.6218 0.0489 0.0489 0.7090 0.7090 1.3705 1.3705 1.7365 1.7365 1.8925 1.8925 2.6676 2.6676 2.7660 2.7660 3.0582 3.0582 3.2989 3.2989 3.4183 3.4183 3.6029 3.6029 3.6618 3.6618 3.7753 3.7753 4.4954 4.4954 4.6227 4.6227 5.7805 5.7805 7.8595 7.8595 8.4109 8.4109 8.8184 8.8184 9.0715 9.0715 9.6439 9.6439 k =-0.1757 0.1459 0.0000 ( 17275 PWs) bands (ev): -14.4501 -14.4501 -14.3415 -14.3415 -7.0473 -7.0473 -6.3186 -6.3186 -3.3969 -3.3969 -3.1208 -3.1208 -2.1493 -2.1493 -1.8447 -1.8447 -1.7353 -1.7353 -1.6309 -1.6309 0.0500 0.0500 0.7100 0.7100 1.3720 1.3720 1.7417 1.7417 1.8951 1.8951 2.6684 2.6684 2.7643 2.7643 3.0627 3.0627 3.2955 3.2955 3.4117 3.4117 3.5993 3.5993 3.6601 3.6601 3.7644 3.7644 4.4804 4.4804 4.6236 4.6236 5.7906 5.7906 7.9351 7.9351 8.4858 8.4858 8.7620 8.7620 9.1558 9.1558 9.5874 9.5874 k =-0.1892 0.1572 0.0000 ( 17273 PWs) bands (ev): -14.4494 -14.4494 -14.3417 -14.3417 -7.0479 -7.0479 -6.3184 -6.3184 -3.3941 -3.3941 -3.1254 -3.1254 -2.1439 -2.1439 -1.8474 -1.8474 -1.7405 -1.7405 -1.6398 -1.6398 0.0509 0.0509 0.7109 0.7109 1.3733 1.3733 1.7466 1.7466 1.8974 1.8974 2.6690 2.6690 2.7642 2.7642 3.0673 3.0673 3.2946 3.2946 3.4047 3.4047 3.5953 3.5953 3.6578 3.6578 3.7535 3.7535 4.4650 4.4650 4.6245 4.6245 5.8014 5.8014 8.0168 8.0168 8.5641 8.5641 8.7010 8.7010 9.2407 9.2407 9.5327 9.5327 k =-0.2027 0.1684 0.0000 ( 17289 PWs) bands (ev): -14.4486 -14.4486 -14.3419 -14.3419 -7.0483 -7.0483 -6.3184 -6.3184 -3.3915 -3.3915 -3.1300 -3.1300 -2.1388 -2.1388 -1.8503 -1.8503 -1.7457 -1.7457 -1.6483 -1.6483 0.0514 0.0514 0.7118 0.7118 1.3745 1.3745 1.7513 1.7513 1.8995 1.8995 2.6698 2.6698 2.7658 2.7658 3.0717 3.0717 3.2963 3.2963 3.3975 3.3975 3.5910 3.5910 3.6546 3.6546 3.7431 3.7431 4.4495 4.4495 4.6254 4.6254 5.8128 5.8128 8.1027 8.1027 8.6273 8.6273 8.6589 8.6589 9.3191 9.3191 9.4808 9.4808 k =-0.2162 0.1796 0.0000 ( 17301 PWs) bands (ev): -14.4478 -14.4478 -14.3422 -14.3422 -7.0484 -7.0484 -6.3188 -6.3188 -3.3890 -3.3890 -3.1345 -3.1345 -2.1341 -2.1341 -1.8533 -1.8533 -1.7508 -1.7508 -1.6564 -1.6564 0.0515 0.0515 0.7127 0.7127 1.3754 1.3754 1.7557 1.7557 1.9010 1.9010 2.6708 2.6708 2.7689 2.7689 3.0758 3.0758 3.3006 3.3006 3.3900 3.3900 3.5865 3.5865 3.6506 3.6506 3.7337 3.7337 4.4339 4.4339 4.6263 4.6263 5.8245 5.8245 8.1907 8.1907 8.5764 8.5764 8.7362 8.7362 9.3848 9.3848 9.4347 9.4347 k =-0.2297 0.1908 0.0000 ( 17313 PWs) bands (ev): -14.4470 -14.4470 -14.3424 -14.3424 -7.0482 -7.0482 -6.3195 -6.3195 -3.3867 -3.3867 -3.1389 -3.1389 -2.1299 -2.1299 -1.8564 -1.8564 -1.7559 -1.7559 -1.6639 -1.6639 0.0513 0.0513 0.7138 0.7138 1.3761 1.3761 1.7597 1.7597 1.9021 1.9021 2.6721 2.6721 2.7731 2.7731 3.0792 3.0792 3.3074 3.3074 3.3829 3.3829 3.5822 3.5822 3.6456 3.6456 3.7256 3.7256 4.4185 4.4185 4.6273 4.6273 5.8366 5.8366 8.2765 8.2765 8.5224 8.5224 8.8245 8.8245 9.3813 9.3813 9.4485 9.4485 k =-0.2432 0.2021 0.0000 ( 17299 PWs) bands (ev): -14.4463 -14.4463 -14.3426 -14.3426 -7.0478 -7.0478 -6.3206 -6.3206 -3.3846 -3.3846 -3.1431 -3.1431 -2.1264 -2.1264 -1.8595 -1.8595 -1.7608 -1.7608 -1.6708 -1.6708 0.0507 0.0507 0.7149 0.7149 1.3766 1.3766 1.7632 1.7632 1.9024 1.9024 2.6740 2.6740 2.7783 2.7783 3.0818 3.0818 3.3159 3.3159 3.3771 3.3771 3.5783 3.5783 3.6396 3.6396 3.7188 3.7188 4.4034 4.4034 4.6283 4.6283 5.8489 5.8489 8.3466 8.3466 8.4853 8.4853 8.9156 8.9156 9.3417 9.3417 9.4872 9.4872 k =-0.2568 0.2133 0.0000 ( 17293 PWs) bands (ev): -14.4455 -14.4455 -14.3428 -14.3428 -7.0470 -7.0470 -6.3220 -6.3220 -3.3828 -3.3828 -3.1472 -3.1472 -2.1236 -2.1236 -1.8625 -1.8625 -1.7656 -1.7656 -1.6770 -1.6770 0.0497 0.0497 0.7163 0.7163 1.3768 1.3768 1.7662 1.7662 1.9021 1.9021 2.6765 2.6765 2.7840 2.7840 3.0836 3.0836 3.3245 3.3245 3.3745 3.3745 3.5750 3.5750 3.6327 3.6327 3.7132 3.7132 4.3887 4.3887 4.6293 4.6293 5.8612 5.8612 8.3566 8.3566 8.5076 8.5076 9.0085 9.0085 9.3052 9.3052 9.5107 9.5107 k =-0.2703 0.2245 0.0000 ( 17303 PWs) bands (ev): -14.4447 -14.4447 -14.3430 -14.3430 -7.0459 -7.0459 -6.3237 -6.3237 -3.3813 -3.3813 -3.1510 -3.1510 -2.1215 -2.1215 -1.8653 -1.8653 -1.7703 -1.7703 -1.6823 -1.6823 0.0483 0.0483 0.7178 0.7178 1.3767 1.3767 1.7686 1.7686 1.9012 1.9012 2.6798 2.6798 2.7900 2.7900 3.0844 3.0844 3.3303 3.3303 3.3783 3.3783 3.5724 3.5724 3.6248 3.6248 3.7088 3.7088 4.3746 4.3746 4.6303 4.6303 5.8735 5.8735 8.3185 8.3185 8.5747 8.5747 9.1022 9.1022 9.2733 9.2733 9.5191 9.5191 k =-0.2838 0.2357 0.0000 ( 17303 PWs) bands (ev): -14.4439 -14.4439 -14.3432 -14.3432 -7.0446 -7.0446 -6.3258 -6.3258 -3.3801 -3.3801 -3.1546 -3.1546 -2.1204 -2.1204 -1.8679 -1.8679 -1.7747 -1.7747 -1.6868 -1.6868 0.0466 0.0466 0.7194 0.7194 1.3765 1.3765 1.7704 1.7704 1.8998 1.8998 2.6837 2.6837 2.7960 2.7960 3.0843 3.0843 3.3318 3.3318 3.3901 3.3901 3.5705 3.5705 3.6162 3.6162 3.7052 3.7052 4.3611 4.3611 4.6314 4.6314 5.8856 5.8856 8.2717 8.2717 8.6440 8.6440 9.1945 9.1945 9.2471 9.2471 9.5163 9.5163 k =-0.2973 0.2470 0.0000 ( 17317 PWs) bands (ev): -14.4432 -14.4432 -14.3434 -14.3434 -7.0429 -7.0429 -6.3282 -6.3282 -3.3793 -3.3793 -3.1578 -3.1578 -2.1202 -2.1202 -1.8702 -1.8702 -1.7788 -1.7788 -1.6904 -1.6904 0.0445 0.0445 0.7212 0.7212 1.3760 1.3760 1.7715 1.7715 1.8980 1.8980 2.6883 2.6883 2.8018 2.8018 3.0835 3.0835 3.3310 3.3310 3.4076 3.4076 3.5693 3.5693 3.6068 3.6068 3.7024 3.7024 4.3482 4.3482 4.6325 4.6325 5.8975 5.8975 8.2245 8.2245 8.7035 8.7035 9.2208 9.2208 9.2884 9.2884 9.5100 9.5100 k =-0.3108 0.2582 0.0000 ( 17311 PWs) bands (ev): -14.4425 -14.4425 -14.3436 -14.3436 -7.0411 -7.0411 -6.3308 -6.3308 -3.3787 -3.3787 -3.1608 -3.1608 -2.1209 -2.1209 -1.8723 -1.8723 -1.7828 -1.7828 -1.6930 -1.6930 0.0421 0.0421 0.7231 0.7231 1.3753 1.3753 1.7719 1.7719 1.8959 1.8959 2.6935 2.6935 2.8074 2.8074 3.0821 3.0821 3.3302 3.3302 3.4285 3.4285 3.5687 3.5687 3.5970 3.5970 3.7002 3.7002 4.3361 4.3361 4.6335 4.6335 5.9090 5.9090 8.1789 8.1789 8.7474 8.7474 9.2032 9.2032 9.3677 9.3677 9.5135 9.5135 k =-0.3243 0.2694 0.0000 ( 17321 PWs) bands (ev): -14.4418 -14.4418 -14.3438 -14.3438 -7.0390 -7.0390 -6.3337 -6.3337 -3.3785 -3.3785 -3.1635 -3.1635 -2.1225 -2.1225 -1.8739 -1.8739 -1.7866 -1.7866 -1.6947 -1.6947 0.0395 0.0395 0.7249 0.7249 1.3744 1.3744 1.7716 1.7716 1.8939 1.8939 2.6992 2.6992 2.8126 2.8126 3.0802 3.0802 3.3305 3.3305 3.4510 3.4510 3.5688 3.5688 3.5870 3.5870 3.6984 3.6984 4.3248 4.3248 4.6345 4.6345 5.9200 5.9200 8.1356 8.1356 8.7723 8.7723 9.1892 9.1892 9.4177 9.4177 9.5499 9.5499 k =-0.3378 0.2807 0.0000 ( 17311 PWs) bands (ev): -14.4412 -14.4412 -14.3439 -14.3439 -7.0367 -7.0367 -6.3367 -6.3367 -3.3786 -3.3786 -3.1658 -3.1658 -2.1248 -2.1248 -1.8752 -1.8752 -1.7903 -1.7903 -1.6954 -1.6954 0.0366 0.0366 0.7266 0.7266 1.3735 1.3735 1.7705 1.7705 1.8920 1.8920 2.7052 2.7052 2.8174 2.8174 3.0782 3.0782 3.3323 3.3323 3.4741 3.4741 3.5689 3.5689 3.5772 3.5772 3.6968 3.6968 4.3144 4.3144 4.6355 4.6355 5.9305 5.9305 8.0948 8.0948 8.7778 8.7778 9.1791 9.1791 9.4358 9.4358 9.6221 9.6221 k =-0.3514 0.2919 0.0000 ( 17325 PWs) bands (ev): -14.4406 -14.4406 -14.3441 -14.3441 -7.0344 -7.0344 -6.3399 -6.3399 -3.3789 -3.3789 -3.1679 -3.1679 -2.1278 -2.1278 -1.8761 -1.8761 -1.7938 -1.7938 -1.6953 -1.6953 0.0336 0.0336 0.7282 0.7282 1.3724 1.3724 1.7688 1.7688 1.8904 1.8904 2.7114 2.7114 2.8218 2.8218 3.0760 3.0760 3.3357 3.3357 3.4967 3.4967 3.5650 3.5650 3.5723 3.5723 3.6955 3.6955 4.3048 4.3048 4.6363 4.6363 5.9404 5.9404 8.0568 8.0568 8.7666 8.7666 9.1729 9.1729 9.4417 9.4417 9.7066 9.7066 k =-0.3649 0.3031 0.0000 ( 17329 PWs) bands (ev): -14.4400 -14.4400 -14.3442 -14.3442 -7.0319 -7.0319 -6.3431 -6.3431 -3.3794 -3.3794 -3.1696 -3.1696 -2.1314 -2.1314 -1.8766 -1.8766 -1.7973 -1.7973 -1.6943 -1.6943 0.0305 0.0305 0.7295 0.7295 1.3713 1.3713 1.7666 1.7666 1.8891 1.8891 2.7176 2.7176 2.8259 2.8259 3.0740 3.0740 3.3408 3.3408 3.5175 3.5175 3.5568 3.5568 3.5734 3.5734 3.6943 3.6943 4.2960 4.2960 4.6371 4.6371 5.9495 5.9495 8.0217 8.0217 8.7435 8.7435 9.1701 9.1701 9.4408 9.4408 9.7928 9.7928 k =-0.3784 0.3143 0.0000 ( 17341 PWs) bands (ev): -14.4395 -14.4395 -14.3443 -14.3443 -7.0294 -7.0294 -6.3463 -6.3463 -3.3801 -3.3801 -3.1711 -3.1711 -2.1352 -2.1352 -1.8768 -1.8768 -1.8007 -1.8007 -1.6927 -1.6927 0.0273 0.0273 0.7306 0.7306 1.3701 1.3701 1.7640 1.7640 1.8883 1.8883 2.7236 2.7236 2.8297 2.8297 3.0721 3.0721 3.3473 3.3473 3.5312 3.5312 3.5536 3.5536 3.5756 3.5756 3.6932 3.6932 4.2881 4.2881 4.6378 4.6378 5.9580 5.9580 7.9896 7.9896 8.7136 8.7136 9.1703 9.1703 9.4320 9.4320 9.8772 9.8772 k =-0.3919 0.3256 0.0000 ( 17337 PWs) bands (ev): -14.4391 -14.4391 -14.3444 -14.3444 -7.0270 -7.0270 -6.3494 -6.3494 -3.3810 -3.3810 -3.1723 -3.1723 -2.1393 -2.1393 -1.8767 -1.8767 -1.8040 -1.8040 -1.6906 -1.6906 0.0241 0.0241 0.7315 0.7315 1.3690 1.3690 1.7611 1.7611 1.8877 1.8877 2.7293 2.7293 2.8332 2.8332 3.0704 3.0704 3.3550 3.3550 3.5292 3.5292 3.5638 3.5638 3.5789 3.5789 3.6923 3.6923 4.2811 4.2811 4.6384 4.6384 5.9657 5.9657 7.9606 7.9606 8.6812 8.6812 9.1729 9.1729 9.4149 9.4149 9.9580 9.9580 k =-0.4054 0.3368 0.0000 ( 17330 PWs) bands (ev): -14.4386 -14.4386 -14.3445 -14.3445 -7.0247 -7.0247 -6.3523 -6.3523 -3.3819 -3.3819 -3.1733 -3.1733 -2.1433 -2.1433 -1.8763 -1.8763 -1.8071 -1.8071 -1.6882 -1.6882 0.0211 0.0211 0.7320 0.7320 1.3679 1.3679 1.7581 1.7581 1.8875 1.8875 2.7344 2.7344 2.8365 2.8365 3.0689 3.0689 3.3637 3.3637 3.5216 3.5216 3.5753 3.5753 3.5849 3.5849 3.6916 3.6916 4.2749 4.2749 4.6388 4.6388 5.9725 5.9725 7.9348 7.9348 8.6492 8.6492 9.1773 9.1773 9.3907 9.3907 10.0338 10.0338 k =-0.4189 0.3480 0.0000 ( 17348 PWs) bands (ev): -14.4383 -14.4383 -14.3445 -14.3445 -7.0225 -7.0225 -6.3551 -6.3551 -3.3828 -3.3828 -3.1741 -3.1741 -2.1472 -2.1472 -1.8757 -1.8757 -1.8100 -1.8100 -1.6856 -1.6856 0.0183 0.0183 0.7324 0.7324 1.3669 1.3669 1.7552 1.7552 1.8875 1.8875 2.7390 2.7390 2.8395 2.8395 3.0677 3.0677 3.3728 3.3728 3.5135 3.5135 3.5814 3.5814 3.5948 3.5948 3.6913 3.6913 4.2695 4.2695 4.6392 4.6392 5.9785 5.9785 7.9123 7.9123 8.6197 8.6197 9.1829 9.1829 9.3619 9.3619 10.1034 10.1034 k =-0.4324 0.3592 0.0000 ( 17358 PWs) bands (ev): -14.4380 -14.4380 -14.3446 -14.3446 -7.0206 -7.0206 -6.3575 -6.3575 -3.3836 -3.3836 -3.1747 -3.1747 -2.1507 -2.1507 -1.8750 -1.8750 -1.8127 -1.8127 -1.6831 -1.6831 0.0157 0.0157 0.7325 0.7325 1.3660 1.3660 1.7526 1.7526 1.8877 1.8877 2.7429 2.7429 2.8423 2.8423 3.0668 3.0668 3.3820 3.3820 3.5060 3.5060 3.5857 3.5857 3.6037 3.6037 3.6914 3.6914 4.2650 4.2650 4.6395 4.6395 5.9836 5.9836 7.8930 7.8930 8.5941 8.5941 9.1889 9.1889 9.3315 9.3315 10.1653 10.1653 k =-0.4459 0.3705 0.0000 ( 17358 PWs) bands (ev): -14.4377 -14.4377 -14.3446 -14.3446 -7.0189 -7.0189 -6.3596 -6.3596 -3.3844 -3.3844 -3.1752 -3.1752 -2.1538 -2.1538 -1.8743 -1.8743 -1.8151 -1.8151 -1.6808 -1.6808 0.0135 0.0135 0.7326 0.7326 1.3653 1.3653 1.7503 1.7503 1.8879 1.8879 2.7461 2.7461 2.8447 2.8447 3.0660 3.0660 3.3908 3.3908 3.4993 3.4993 3.5901 3.5901 3.6097 3.6097 3.6921 3.6921 4.2614 4.2614 4.6397 4.6397 5.9878 5.9878 7.8772 7.8772 8.5729 8.5729 9.1947 9.1947 9.3024 9.3024 10.2183 10.2183 k =-0.4595 0.3817 0.0000 ( 17352 PWs) bands (ev): -14.4375 -14.4375 -14.3447 -14.3447 -7.0176 -7.0176 -6.3613 -6.3613 -3.3851 -3.3851 -3.1755 -3.1755 -2.1563 -2.1563 -1.8736 -1.8736 -1.8170 -1.8170 -1.6788 -1.6788 0.0117 0.0117 0.7325 0.7325 1.3647 1.3647 1.7484 1.7484 1.8882 1.8882 2.7485 2.7485 2.8466 2.8466 3.0654 3.0654 3.3986 3.3986 3.4936 3.4936 3.5946 3.5946 3.6127 3.6127 3.6931 3.6931 4.2585 4.2585 4.6398 4.6398 5.9911 5.9911 7.8649 7.8649 8.5565 8.5565 9.1995 9.1995 9.2772 9.2772 10.2611 10.2611 k =-0.4730 0.3929 0.0000 ( 17346 PWs) bands (ev): -14.4374 -14.4374 -14.3447 -14.3447 -7.0166 -7.0166 -6.3625 -6.3625 -3.3856 -3.3856 -3.1757 -3.1757 -2.1582 -2.1582 -1.8731 -1.8731 -1.8184 -1.8184 -1.6773 -1.6773 0.0104 0.0104 0.7324 0.7324 1.3642 1.3642 1.7470 1.7470 1.8884 1.8884 2.7503 2.7503 2.8481 2.8481 3.0650 3.0650 3.4048 3.4048 3.4893 3.4893 3.5992 3.5992 3.6129 3.6129 3.6942 3.6942 4.2565 4.2565 4.6399 4.6399 5.9935 5.9935 7.8560 7.8560 8.5450 8.5450 9.2029 9.2029 9.2583 9.2583 10.2926 10.2926 k =-0.4865 0.4041 0.0000 ( 17352 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0160 -7.0160 -6.3633 -6.3633 -3.3859 -3.3859 -3.1758 -3.1758 -2.1593 -2.1593 -1.8727 -1.8727 -1.8193 -1.8193 -1.6764 -1.6764 0.0096 0.0096 0.7324 0.7324 1.3639 1.3639 1.7462 1.7462 1.8886 1.8886 2.7513 2.7513 2.8490 2.8490 3.0648 3.0648 3.4088 3.4088 3.4865 3.4865 3.6037 3.6037 3.6111 3.6111 3.6951 3.6951 4.2553 4.2553 4.6399 4.6399 5.9949 5.9949 7.8506 7.8506 8.5382 8.5382 9.2044 9.2044 9.2469 9.2469 10.3118 10.3118 k =-0.5000 0.4154 0.0000 ( 17352 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0158 -7.0158 -6.3635 -6.3635 -3.3860 -3.3860 -3.1759 -3.1759 -2.1597 -2.1597 -1.8726 -1.8726 -1.8196 -1.8196 -1.6761 -1.6761 0.0093 0.0093 0.7324 0.7324 1.3638 1.3638 1.7459 1.7459 1.8886 1.8886 2.7516 2.7516 2.8493 2.8493 3.0647 3.0647 3.4102 3.4102 3.4855 3.4855 3.6077 3.6077 3.6079 3.6079 3.6954 3.6954 4.2549 4.2549 4.6399 4.6399 5.9954 5.9954 7.8489 7.8489 8.5359 8.5359 9.2047 9.2047 9.2432 9.2432 10.3183 10.3183 k =-0.5000 0.4154 0.0000 ( 17352 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0158 -7.0158 -6.3635 -6.3635 -3.3860 -3.3860 -3.1759 -3.1759 -2.1597 -2.1597 -1.8726 -1.8726 -1.8196 -1.8196 -1.6761 -1.6761 0.0093 0.0093 0.7324 0.7324 1.3638 1.3638 1.7459 1.7459 1.8886 1.8886 2.7516 2.7516 2.8493 2.8493 3.0647 3.0647 3.4102 3.4102 3.4855 3.4855 3.6077 3.6077 3.6079 3.6079 3.6954 3.6954 4.2549 4.2549 4.6399 4.6399 5.9954 5.9954 7.8489 7.8489 8.5359 8.5359 9.2047 9.2047 9.2432 9.2432 10.3183 10.3183 k =-0.4889 0.4287-0.0000 ( 17348 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0159 -7.0159 -6.3637 -6.3637 -3.3859 -3.3859 -3.1755 -3.1755 -2.1597 -2.1597 -1.8723 -1.8723 -1.8186 -1.8186 -1.6759 -1.6759 0.0093 0.0093 0.7323 0.7323 1.3633 1.3633 1.7457 1.7457 1.8887 1.8887 2.7514 2.7514 2.8493 2.8493 3.0645 3.0645 3.4098 3.4098 3.4858 3.4858 3.6060 3.6060 3.6097 3.6097 3.6956 3.6956 4.2526 4.2526 4.6396 4.6396 5.9934 5.9934 7.8529 7.8529 8.5348 8.5348 9.2046 9.2046 9.2395 9.2395 10.3218 10.3218 k =-0.4779 0.4420-0.0000 ( 17350 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0164 -7.0164 -6.3640 -6.3640 -3.3856 -3.3856 -3.1745 -3.1745 -2.1597 -2.1597 -1.8715 -1.8715 -1.8156 -1.8156 -1.6753 -1.6753 0.0093 0.0093 0.7320 0.7320 1.3615 1.3615 1.7450 1.7450 1.8887 1.8887 2.7508 2.7508 2.8492 2.8492 3.0641 3.0641 3.4085 3.4085 3.4866 3.4866 3.6042 3.6042 3.6116 3.6116 3.6961 3.6961 4.2459 4.2459 4.6385 4.6385 5.9874 5.9874 7.8650 7.8650 8.5317 8.5317 9.2030 9.2030 9.2297 9.2297 10.3318 10.3318 k =-0.4668 0.4553-0.0000 ( 17338 PWs) bands (ev): -14.4374 -14.4374 -14.3446 -14.3446 -7.0173 -7.0173 -6.3646 -6.3646 -3.3851 -3.3851 -3.1728 -3.1728 -2.1596 -2.1596 -1.8701 -1.8701 -1.8107 -1.8107 -1.6744 -1.6744 0.0092 0.0092 0.7315 0.7315 1.3586 1.3586 1.7439 1.7439 1.8889 1.8889 2.7498 2.7498 2.8490 2.8490 3.0633 3.0633 3.4064 3.4064 3.4879 3.4879 3.6023 3.6023 3.6136 3.6136 3.6971 3.6971 4.2349 4.2349 4.6368 4.6368 5.9777 5.9777 7.8850 7.8850 8.5265 8.5265 9.1933 9.1933 9.2214 9.2214 10.3472 10.3472 k =-0.4557 0.4687-0.0000 ( 17334 PWs) bands (ev): -14.4375 -14.4375 -14.3446 -14.3446 -7.0185 -7.0185 -6.3655 -6.3655 -3.3845 -3.3845 -3.1704 -3.1704 -2.1596 -2.1596 -1.8679 -1.8679 -1.8042 -1.8042 -1.6731 -1.6731 0.0091 0.0091 0.7308 0.7308 1.3545 1.3545 1.7423 1.7423 1.8891 1.8891 2.7483 2.7483 2.8488 2.8488 3.0622 3.0622 3.4038 3.4038 3.4895 3.4895 3.6003 3.6003 3.6157 3.6157 3.6984 3.6984 4.2197 4.2197 4.6344 4.6344 5.9645 5.9645 7.9127 7.9127 8.5193 8.5193 9.1701 9.1701 9.2208 9.2208 10.3664 10.3664 k =-0.4447 0.4820-0.0000 ( 17322 PWs) bands (ev): -14.4377 -14.4377 -14.3445 -14.3445 -7.0200 -7.0200 -6.3665 -6.3665 -3.3837 -3.3837 -3.1675 -3.1675 -2.1595 -2.1595 -1.8649 -1.8649 -1.7963 -1.7963 -1.6714 -1.6714 0.0090 0.0090 0.7300 0.7300 1.3494 1.3494 1.7404 1.7404 1.8893 1.8893 2.7465 2.7465 2.8485 2.8485 3.0609 3.0609 3.4006 3.4006 3.4913 3.4913 3.5982 3.5982 3.6181 3.6181 3.7001 3.7001 4.2007 4.2007 4.6315 4.6315 5.9481 5.9481 7.9478 7.9478 8.5103 8.5103 9.1384 9.1384 9.2242 9.2242 10.3874 10.3874 k =-0.4336 0.4953-0.0000 ( 17318 PWs) bands (ev): -14.4379 -14.4379 -14.3444 -14.3444 -7.0217 -7.0217 -6.3678 -6.3678 -3.3827 -3.3827 -3.1640 -3.1640 -2.1594 -2.1594 -1.8610 -1.8610 -1.7872 -1.7872 -1.6694 -1.6694 0.0089 0.0089 0.7290 0.7290 1.3433 1.3433 1.7381 1.7381 1.8896 1.8896 2.7443 2.7443 2.8482 2.8482 3.0593 3.0593 3.3971 3.3971 3.4932 3.4932 3.5961 3.5961 3.6207 3.6207 3.7023 3.7023 4.1782 4.1782 4.6282 4.6282 5.9290 5.9290 7.9898 7.9898 8.4997 8.4997 9.1016 9.1016 9.2295 9.2295 10.4076 10.4076 k =-0.4225 0.5086-0.0000 ( 17318 PWs) bands (ev): -14.4381 -14.4381 -14.3443 -14.3443 -7.0237 -7.0237 -6.3692 -6.3692 -3.3817 -3.3817 -3.1600 -3.1600 -2.1593 -2.1593 -1.8562 -1.8562 -1.7770 -1.7770 -1.6670 -1.6670 0.0087 0.0087 0.7278 0.7278 1.3362 1.3362 1.7356 1.7356 1.8899 1.8899 2.7418 2.7418 2.8478 2.8478 3.0574 3.0574 3.3934 3.3934 3.4951 3.4951 3.5940 3.5940 3.6236 3.6236 3.7049 3.7049 4.1528 4.1528 4.6244 4.6244 5.9076 5.9076 8.0381 8.0381 8.4881 8.4881 9.0611 9.0611 9.2361 9.2361 10.4246 10.4246 k =-0.4225 0.5086-0.0000 ( 17318 PWs) bands (ev): -14.4381 -14.4381 -14.3443 -14.3443 -7.0237 -7.0237 -6.3692 -6.3692 -3.3817 -3.3817 -3.1600 -3.1600 -2.1593 -2.1593 -1.8562 -1.8562 -1.7770 -1.7770 -1.6670 -1.6670 0.0087 0.0087 0.7278 0.7278 1.3362 1.3362 1.7356 1.7356 1.8899 1.8899 2.7418 2.7418 2.8478 2.8478 3.0574 3.0574 3.3934 3.3934 3.4951 3.4951 3.5940 3.5940 3.6236 3.6236 3.7049 3.7049 4.1528 4.1528 4.6244 4.6244 5.9076 5.9076 8.0381 8.0381 8.4881 8.4881 9.0611 9.0611 9.2361 9.2361 10.4246 10.4246 k =-0.4225 0.5086 0.0178 ( 17314 PWs) bands (ev): -14.4380 -14.4380 -14.3444 -14.3444 -7.0230 -7.0230 -6.3701 -6.3701 -3.3813 -3.3813 -3.1604 -3.1604 -2.1588 -2.1588 -1.8562 -1.8562 -1.7780 -1.7780 -1.6663 -1.6663 0.0104 0.0104 0.7293 0.7293 1.3363 1.3363 1.7351 1.7351 1.8896 1.8896 2.7392 2.7392 2.8473 2.8473 3.0519 3.0519 3.3870 3.3870 3.4981 3.4981 3.5986 3.5986 3.6260 3.6260 3.7054 3.7054 4.1558 4.1558 4.6249 4.6249 5.9048 5.9048 8.0420 8.0420 8.4900 8.4900 9.0643 9.0643 9.2255 9.2255 10.4212 10.4212 k =-0.4225 0.5086 0.0355 ( 17311 PWs) bands (ev): -14.4377 -14.4377 -14.3447 -14.3447 -7.0211 -7.0211 -6.3729 -6.3729 -3.3804 -3.3804 -3.1614 -3.1614 -2.1576 -2.1576 -1.8562 -1.8562 -1.7807 -1.7807 -1.6645 -1.6645 0.0153 0.0153 0.7337 0.7337 1.3368 1.3368 1.7335 1.7335 1.8888 1.8888 2.7314 2.7314 2.8456 2.8456 3.0362 3.0362 3.3721 3.3721 3.5032 3.5032 3.6072 3.6072 3.6368 3.6368 3.7076 3.7076 4.1649 4.1649 4.6263 4.6263 5.8965 5.8965 8.0539 8.0539 8.4954 8.4954 9.0735 9.0735 9.1956 9.1956 10.4105 10.4105 k =-0.4225 0.5086 0.0533 ( 17319 PWs) bands (ev): -14.4371 -14.4371 -14.3453 -14.3453 -7.0179 -7.0179 -6.3776 -6.3776 -3.3788 -3.3788 -3.1631 -3.1631 -2.1555 -2.1555 -1.8561 -1.8561 -1.7850 -1.7850 -1.6616 -1.6616 0.0233 0.0233 0.7409 0.7409 1.3376 1.3376 1.7308 1.7308 1.8873 1.8873 2.7180 2.7180 2.8427 2.8427 3.0119 3.0119 3.3547 3.3547 3.5064 3.5064 3.6117 3.6117 3.6586 3.6586 3.7138 3.7138 4.1796 4.1796 4.6288 4.6288 5.8828 5.8828 8.0734 8.0734 8.5031 8.5031 9.0865 9.0865 9.1526 9.1526 10.3908 10.3908 k =-0.4225 0.5086 0.0710 ( 17335 PWs) bands (ev): -14.4364 -14.4364 -14.3460 -14.3460 -7.0134 -7.0134 -6.3841 -6.3841 -3.3766 -3.3766 -3.1655 -3.1655 -2.1527 -2.1527 -1.8561 -1.8561 -1.7904 -1.7904 -1.6580 -1.6580 0.0346 0.0346 0.7508 0.7508 1.3386 1.3386 1.7272 1.7272 1.8853 1.8853 2.6987 2.6987 2.8388 2.8388 2.9818 2.9818 3.3381 3.3381 3.5073 3.5073 3.6131 3.6131 3.6787 3.6787 3.7315 3.7315 4.1995 4.1995 4.6325 4.6325 5.8642 5.8642 8.1001 8.1001 8.5112 8.5112 9.0811 9.0811 9.1243 9.1243 10.3601 10.3601 k =-0.4225 0.5086 0.0888 ( 17343 PWs) bands (ev): -14.4354 -14.4354 -14.3470 -14.3470 -7.0076 -7.0076 -6.3924 -6.3924 -3.3739 -3.3739 -3.1685 -3.1685 -2.1492 -2.1492 -1.8564 -1.8564 -1.7964 -1.7964 -1.6538 -1.6538 0.0488 0.0488 0.7633 0.7633 1.3397 1.3397 1.7226 1.7226 1.8828 1.8828 2.6731 2.6731 2.8338 2.8338 2.9486 2.9486 3.3234 3.3234 3.5065 3.5065 3.6130 3.6130 3.6874 3.6874 3.7651 3.7651 4.2241 4.2241 4.6376 4.6376 5.8409 5.8409 8.1335 8.1335 8.5161 8.5161 9.0336 9.0336 9.1413 9.1413 10.3160 10.3160 k =-0.4225 0.5086 0.1066 ( 17334 PWs) bands (ev): -14.4342 -14.4342 -14.3482 -14.3482 -7.0006 -7.0006 -6.4023 -6.4023 -3.3708 -3.3708 -3.1721 -3.1721 -2.1450 -2.1450 -1.8573 -1.8573 -1.8022 -1.8022 -1.6495 -1.6495 0.0660 0.0660 0.7779 0.7779 1.3407 1.3407 1.7172 1.7172 1.8796 1.8796 2.6407 2.6407 2.8277 2.8277 2.9150 2.9150 3.3111 3.3111 3.5048 3.5048 3.6119 3.6119 3.6896 3.6896 3.8068 3.8068 4.2528 4.2528 4.6441 4.6441 5.8133 5.8133 8.1728 8.1728 8.5125 8.5125 8.9887 8.9887 9.1658 9.1658 10.2580 10.2580 k =-0.4225 0.5086 0.1243 ( 17326 PWs) bands (ev): -14.4328 -14.4328 -14.3495 -14.3495 -6.9924 -6.9924 -6.4139 -6.4139 -3.3672 -3.3672 -3.1763 -3.1763 -2.1403 -2.1403 -1.8594 -1.8594 -1.8069 -1.8069 -1.6450 -1.6450 0.0860 0.0860 0.7944 0.7944 1.3417 1.3417 1.7112 1.7112 1.8758 1.8758 2.6017 2.6017 2.8207 2.8207 2.8826 2.8826 3.3014 3.3014 3.5027 3.5027 3.6100 3.6100 3.6889 3.6889 3.8514 3.8514 4.2849 4.2849 4.6522 4.6522 5.7821 5.7821 8.2165 8.2165 8.4955 8.4955 8.9608 8.9608 9.1895 9.1895 10.1883 10.1883 k =-0.4225 0.5086 0.1421 ( 17326 PWs) bands (ev): -14.4312 -14.4312 -14.3511 -14.3511 -6.9829 -6.9829 -6.4270 -6.4270 -3.3632 -3.3632 -3.1810 -3.1810 -2.1350 -2.1350 -1.8635 -1.8635 -1.8095 -1.8095 -1.6408 -1.6408 0.1086 0.1086 0.8123 0.8123 1.3424 1.3424 1.7049 1.7049 1.8714 1.8714 2.5565 2.5565 2.8126 2.8126 2.8528 2.8528 3.2943 3.2943 3.5005 3.5005 3.6073 3.6073 3.6858 3.6858 3.8971 3.8971 4.3200 4.3200 4.6617 4.6617 5.7475 5.7475 8.2612 8.2612 8.4652 8.4652 8.9557 8.9557 9.2077 9.2077 10.1127 10.1127 k =-0.4225 0.5086 0.1599 ( 17320 PWs) bands (ev): -14.4295 -14.4295 -14.3528 -14.3528 -6.9723 -6.9723 -6.4414 -6.4414 -3.3590 -3.3590 -3.1861 -3.1861 -2.1294 -2.1294 -1.8699 -1.8699 -1.8094 -1.8094 -1.6368 -1.6368 0.1338 0.1338 0.8310 0.8310 1.3429 1.3429 1.6987 1.6987 1.8662 1.8662 2.5063 2.5063 2.8033 2.8033 2.8262 2.8262 3.2898 3.2898 3.4985 3.4985 3.6040 3.6040 3.6806 3.6806 3.9430 3.9430 4.3575 4.3575 4.6724 4.6724 5.7102 5.7102 8.2950 8.2950 8.4360 8.4360 8.9724 8.9724 9.2147 9.2147 10.0391 10.0391 k =-0.4225 0.5086 0.1776 ( 17316 PWs) bands (ev): -14.4275 -14.4275 -14.3548 -14.3548 -6.9606 -6.9606 -6.4572 -6.4572 -3.3545 -3.3545 -3.1917 -3.1917 -2.1234 -2.1234 -1.8783 -1.8783 -1.8065 -1.8065 -1.6333 -1.6333 0.1614 0.1614 0.8496 0.8496 1.3434 1.3434 1.6929 1.6929 1.8603 1.8603 2.4520 2.4520 2.7918 2.7918 2.8040 2.8040 3.2879 3.2879 3.4967 3.4967 3.6003 3.6003 3.6731 3.6731 3.9887 3.9887 4.3970 4.3970 4.6840 4.6840 5.6704 5.6704 8.2870 8.2870 8.4449 8.4449 9.0060 9.0060 9.2046 9.2046 9.9754 9.9754 k =-0.4225 0.5086 0.1954 ( 17320 PWs) bands (ev): -14.4254 -14.4254 -14.3569 -14.3569 -6.9478 -6.9478 -6.4742 -6.4742 -3.3498 -3.3498 -3.1976 -3.1976 -2.1172 -2.1172 -1.8883 -1.8883 -1.8014 -1.8014 -1.6304 -1.6304 0.1912 0.1912 0.8671 0.8671 1.3440 1.3440 1.6882 1.6882 1.8535 1.8535 2.3950 2.3950 2.7752 2.7752 2.7890 2.7890 3.2885 3.2885 3.4953 3.4953 3.5961 3.5961 3.6634 3.6634 4.0342 4.0342 4.4380 4.4380 4.6961 4.6961 5.6287 5.6287 8.2410 8.2410 8.4934 8.4934 9.0512 9.0512 9.1732 9.1732 9.9270 9.9270 k =-0.4225 0.5086 0.2131 ( 17310 PWs) bands (ev): -14.4231 -14.4231 -14.3591 -14.3591 -6.9339 -6.9339 -6.4922 -6.4922 -3.3450 -3.3450 -3.2038 -3.2038 -2.1107 -2.1107 -1.8991 -1.8991 -1.7944 -1.7944 -1.6283 -1.6283 0.2232 0.2232 0.8823 0.8823 1.3457 1.3457 1.6849 1.6849 1.8457 1.8457 2.3362 2.3362 2.7569 2.7569 2.7778 2.7778 3.2915 3.2915 3.4945 3.4945 3.5917 3.5917 3.6517 3.6517 4.0793 4.0793 4.4798 4.4798 4.7081 4.7081 5.5853 5.5853 8.1856 8.1856 8.5569 8.5569 9.0941 9.0941 9.1303 9.1303 9.8943 9.8943 k =-0.4225 0.5086 0.2309 ( 17306 PWs) bands (ev): -14.4207 -14.4207 -14.3615 -14.3615 -6.9190 -6.9190 -6.5112 -6.5112 -3.3401 -3.3401 -3.2102 -3.2102 -2.1041 -2.1041 -1.9105 -1.9105 -1.7859 -1.7859 -1.6269 -1.6269 0.2571 0.2571 0.8936 0.8936 1.3493 1.3493 1.6835 1.6835 1.8369 1.8369 2.2766 2.2766 2.7401 2.7401 2.7674 2.7674 3.2969 3.2969 3.4940 3.4940 3.5869 3.5869 3.6381 3.6381 4.1242 4.1242 4.5216 4.5216 4.7199 4.7199 5.5406 5.5406 8.1320 8.1320 8.6268 8.6268 9.0382 9.0382 9.1735 9.1735 9.8731 9.8731 k =-0.4225 0.5086 0.2487 ( 17296 PWs) bands (ev): -14.4182 -14.4182 -14.3641 -14.3641 -6.9031 -6.9031 -6.5310 -6.5310 -3.3351 -3.3351 -3.2168 -3.2168 -2.0973 -2.0973 -1.9222 -1.9222 -1.7762 -1.7762 -1.6265 -1.6265 0.2929 0.2929 0.8995 0.8995 1.3562 1.3562 1.6843 1.6843 1.8268 1.8268 2.2168 2.2168 2.7251 2.7251 2.7574 2.7574 3.3043 3.3043 3.4940 3.4940 3.5820 3.5820 3.6229 3.6229 4.1690 4.1690 4.5622 4.5622 4.7316 4.7316 5.4948 5.4948 8.0847 8.0847 8.7002 8.7002 8.9517 8.9517 9.2392 9.2392 9.8569 9.8569 k =-0.4225 0.5086 0.2664 ( 17302 PWs) bands (ev): -14.4155 -14.4155 -14.3667 -14.3667 -6.8863 -6.8863 -6.5515 -6.5515 -3.3300 -3.3300 -3.2235 -3.2235 -2.0904 -2.0904 -1.9340 -1.9340 -1.7654 -1.7654 -1.6270 -1.6270 0.3304 0.3304 0.8987 0.8987 1.3676 1.3676 1.6874 1.6874 1.8154 1.8154 2.1576 2.1576 2.7121 2.7121 2.7479 2.7479 3.3137 3.3137 3.4944 3.4944 3.5768 3.5768 3.6065 3.6065 4.2135 4.2135 4.5992 4.5992 4.7447 4.7447 5.4482 5.4482 8.0461 8.0461 8.7736 8.7736 8.8590 8.8590 9.3092 9.3092 9.8399 9.8399 k =-0.4225 0.5086 0.2842 ( 17298 PWs) bands (ev): -14.4127 -14.4127 -14.3695 -14.3695 -6.8687 -6.8687 -6.5725 -6.5725 -3.3249 -3.3249 -3.2303 -3.2303 -2.0833 -2.0833 -1.9456 -1.9456 -1.7540 -1.7540 -1.6286 -1.6286 0.3694 0.3694 0.8902 0.8902 1.3846 1.3846 1.6927 1.6927 1.8024 1.8024 2.0995 2.0995 2.7010 2.7010 2.7390 2.7390 3.3249 3.3249 3.4950 3.4950 3.5712 3.5712 3.5896 3.5896 4.2578 4.2578 4.6285 4.6285 4.7623 4.7623 5.4009 5.4009 8.0178 8.0178 8.7504 8.7504 8.8610 8.8610 9.3815 9.3815 9.8191 9.8191 k =-0.4225 0.5086 0.3019 ( 17304 PWs) bands (ev): -14.4098 -14.4098 -14.3724 -14.3724 -6.8502 -6.8502 -6.5941 -6.5941 -3.3198 -3.3198 -3.2370 -3.2370 -2.0761 -2.0761 -1.9571 -1.9571 -1.7420 -1.7420 -1.6313 -1.6313 0.4099 0.4099 0.8742 0.8742 1.4072 1.4072 1.7003 1.7003 1.7876 1.7876 2.0431 2.0431 2.6917 2.6917 2.7308 2.7308 3.3376 3.3376 3.4956 3.4956 3.5635 3.5635 3.5743 3.5743 4.3017 4.3017 4.6456 4.6456 4.7882 4.7882 5.3531 5.3531 8.0008 8.0008 8.6525 8.6525 8.9384 8.9384 9.4536 9.4536 9.7940 9.7940 k =-0.4225 0.5086 0.3197 ( 17308 PWs) bands (ev): -14.4068 -14.4068 -14.3754 -14.3754 -6.8311 -6.8311 -6.6159 -6.6159 -3.3147 -3.3147 -3.2435 -3.2435 -2.0688 -2.0688 -1.9682 -1.9682 -1.7298 -1.7298 -1.6352 -1.6352 0.4515 0.4515 0.8511 0.8511 1.4353 1.4353 1.7098 1.7098 1.7706 1.7706 1.9894 1.9894 2.6842 2.6842 2.7235 2.7235 3.3518 3.3518 3.4955 3.4955 3.5498 3.5498 3.5656 3.5656 4.3452 4.3452 4.6492 4.6492 4.8233 4.8233 5.3049 5.3049 7.9959 7.9959 8.5548 8.5548 9.0181 9.0181 9.5199 9.5199 9.7690 9.7690 k =-0.4225 0.5086 0.3375 ( 17300 PWs) bands (ev): -14.4037 -14.4037 -14.3784 -14.3784 -6.8112 -6.8112 -6.6380 -6.6380 -3.3097 -3.3097 -3.2498 -3.2498 -2.0614 -2.0614 -1.9788 -1.9788 -1.7176 -1.7176 -1.6402 -1.6402 0.4942 0.4942 0.8220 0.8220 1.4680 1.4680 1.7205 1.7205 1.7514 1.7514 1.9393 1.9393 2.6782 2.6782 2.7173 2.7173 3.3672 3.3672 3.4934 3.4934 3.5349 3.5349 3.5603 3.5603 4.3878 4.3878 4.6419 4.6419 4.8647 4.8647 5.2564 5.2564 8.0034 8.0034 8.4609 8.4609 9.0979 9.0979 9.5651 9.5651 9.7595 9.7595 k =-0.4225 0.5086 0.3552 ( 17302 PWs) bands (ev): -14.4006 -14.4006 -14.3815 -14.3815 -6.7908 -6.7908 -6.6603 -6.6603 -3.3049 -3.3049 -3.2556 -3.2556 -2.0540 -2.0540 -1.9888 -1.9888 -1.7055 -1.7055 -1.6464 -1.6464 0.5375 0.5375 0.7881 0.7881 1.5043 1.5043 1.7205 1.7205 1.7410 1.7410 1.8941 1.8941 2.6738 2.6738 2.7123 2.7123 3.3836 3.3836 3.4864 3.4864 3.5241 3.5241 3.5561 3.5561 4.4291 4.4291 4.6265 4.6265 4.9096 4.9096 5.2078 5.2078 8.0232 8.0232 8.3725 8.3725 9.1769 9.1769 9.5649 9.5649 9.7900 9.7900 k =-0.4225 0.5086 0.3730 ( 17301 PWs) bands (ev): -14.3974 -14.3974 -14.3847 -14.3847 -6.7699 -6.7699 -6.6825 -6.6825 -3.3006 -3.3006 -3.2607 -3.2607 -2.0470 -2.0470 -1.9977 -1.9977 -1.6940 -1.6940 -1.6536 -1.6536 0.5812 0.5812 0.7505 0.7505 1.5432 1.5432 1.6943 1.6943 1.7543 1.7543 1.8549 1.8549 2.6707 2.6707 2.7087 2.7087 3.4008 3.4008 3.4733 3.4733 3.5194 3.5194 3.5529 3.5529 4.4685 4.4685 4.6049 4.6049 4.9561 4.9561 5.1595 5.1595 8.0551 8.0551 8.2909 8.2909 9.2540 9.2540 9.5266 9.5266 9.8537 9.8537 k =-0.4225 0.5086 0.3908 ( 17295 PWs) bands (ev): -14.3943 -14.3943 -14.3879 -14.3879 -6.7485 -6.7485 -6.7047 -6.7047 -3.2975 -3.2975 -3.2643 -3.2643 -2.0412 -2.0412 -2.0047 -2.0047 -1.6834 -1.6834 -1.6616 -1.6616 0.6249 0.6249 0.7103 0.7103 1.5832 1.5832 1.6607 1.6607 1.7725 1.7725 1.8224 1.8224 2.6689 2.6689 2.7064 2.7064 3.4183 3.4183 3.4569 3.4569 3.5180 3.5180 3.5508 3.5508 4.5046 4.5046 4.5793 4.5793 5.0017 5.0017 5.1129 5.1129 8.0985 8.0985 8.2173 8.2173 9.3275 9.3275 9.4715 9.4715 9.9305 9.9305 k =-0.4225 0.5086 0.4085 ( 17302 PWs) bands (ev): -14.3911 -14.3911 -14.3910 -14.3910 -6.7276 -6.7276 -6.7258 -6.7258 -3.2962 -3.2962 -3.2657 -3.2657 -2.0386 -2.0386 -2.0076 -2.0076 -1.6766 -1.6766 -1.6675 -1.6675 0.6662 0.6662 0.6702 0.6702 1.6216 1.6216 1.6245 1.6245 1.7904 1.7904 1.7998 1.7998 2.6683 2.6683 2.7056 2.7056 3.4314 3.4314 3.4439 3.4439 3.5177 3.5177 3.5501 3.5501 4.5271 4.5271 4.5603 4.5603 5.0316 5.0316 5.0828 5.0828 8.1513 8.1513 8.1545 8.1545 9.3804 9.3804 9.4241 9.4241 10.0018 10.0018 k =-0.4225 0.5086 0.4085 ( 17302 PWs) bands (ev): -14.3911 -14.3911 -14.3910 -14.3910 -6.7276 -6.7276 -6.7258 -6.7258 -3.2962 -3.2962 -3.2657 -3.2657 -2.0386 -2.0386 -2.0076 -2.0076 -1.6766 -1.6766 -1.6675 -1.6675 0.6662 0.6662 0.6702 0.6702 1.6216 1.6216 1.6245 1.6245 1.7904 1.7904 1.7998 1.7998 2.6683 2.6683 2.7056 2.7056 3.4314 3.4314 3.4439 3.4439 3.5177 3.5177 3.5501 3.5501 4.5271 4.5271 4.5603 4.5603 5.0316 5.0316 5.0828 5.0828 8.1513 8.1513 8.1545 8.1545 9.3804 9.3804 9.4241 9.4241 10.0018 10.0018 k =-0.4336 0.4953 0.4085 ( 17308 PWs) bands (ev): -14.3910 -14.3910 -14.3910 -14.3910 -6.7257 -6.7257 -6.7241 -6.7241 -3.2971 -3.2971 -3.2703 -3.2703 -2.0422 -2.0422 -2.0146 -2.0146 -1.6793 -1.6793 -1.6717 -1.6717 0.6668 0.6668 0.6704 0.6704 1.6221 1.6221 1.6247 1.6247 1.7965 1.7965 1.8056 1.8056 2.6742 2.6742 2.7072 2.7072 3.4351 3.4351 3.4449 3.4449 3.5207 3.5207 3.5484 3.5484 4.5349 4.5349 4.5640 4.5640 5.0447 5.0447 5.0882 5.0882 8.1416 8.1416 8.1444 8.1444 9.3613 9.3613 9.3995 9.3995 10.0220 10.0220 k =-0.4447 0.4820 0.4085 ( 17312 PWs) bands (ev): -14.3910 -14.3910 -14.3909 -14.3909 -6.7240 -6.7240 -6.7227 -6.7227 -3.2975 -3.2975 -3.2747 -3.2747 -2.0448 -2.0448 -2.0211 -2.0211 -1.6816 -1.6816 -1.6753 -1.6753 0.6675 0.6675 0.6706 0.6706 1.6227 1.6227 1.6248 1.6248 1.8020 1.8020 1.8103 1.8103 2.6798 2.6798 2.7081 2.7081 3.4382 3.4382 3.4456 3.4456 3.5235 3.5235 3.5466 3.5466 4.5423 4.5423 4.5669 4.5669 5.0568 5.0568 5.0927 5.0927 8.1334 8.1334 8.1358 8.1358 9.3445 9.3445 9.3768 9.3768 10.0401 10.0401 k =-0.4557 0.4687 0.4085 ( 17308 PWs) bands (ev): -14.3909 -14.3909 -14.3909 -14.3909 -6.7225 -6.7225 -6.7214 -6.7214 -3.2974 -3.2974 -3.2789 -3.2789 -2.0466 -2.0466 -2.0271 -2.0271 -1.6834 -1.6834 -1.6784 -1.6784 0.6681 0.6681 0.6706 0.6706 1.6232 1.6232 1.6248 1.6248 1.8068 1.8068 1.8140 1.8140 2.6852 2.6852 2.7082 2.7082 3.4407 3.4407 3.4462 3.4462 3.5263 3.5263 3.5447 3.5447 4.5492 4.5492 4.5691 4.5691 5.0677 5.0677 5.0962 5.0962 8.1266 8.1266 8.1287 8.1287 9.3307 9.3307 9.3569 9.3569 10.0556 10.0556 k =-0.4668 0.4553 0.4085 ( 17292 PWs) bands (ev): -14.3909 -14.3909 -14.3909 -14.3909 -6.7213 -6.7213 -6.7205 -6.7205 -3.2968 -3.2968 -3.2827 -3.2827 -2.0474 -2.0474 -2.0325 -2.0325 -1.6846 -1.6846 -1.6809 -1.6809 0.6687 0.6687 0.6706 0.6706 1.6236 1.6236 1.6248 1.6248 1.8109 1.8109 1.8166 1.8166 2.6901 2.6901 2.7077 2.7077 3.4427 3.4427 3.4466 3.4466 3.5289 3.5289 3.5428 3.5428 4.5553 4.5553 4.5703 4.5703 5.0771 5.0771 5.0984 5.0984 8.1215 8.1215 8.1230 8.1230 9.3203 9.3203 9.3401 9.3401 10.0683 10.0683 k =-0.4779 0.4420 0.4085 ( 17296 PWs) bands (ev): -14.3909 -14.3909 -14.3908 -14.3908 -6.7204 -6.7204 -6.7198 -6.7198 -3.2956 -3.2956 -3.2862 -3.2862 -2.0473 -2.0473 -2.0372 -2.0372 -1.6854 -1.6854 -1.6829 -1.6829 0.6692 0.6692 0.6705 0.6705 1.6239 1.6239 1.6248 1.6248 1.8142 1.8142 1.8181 1.8181 2.6945 2.6945 2.7064 2.7064 3.4442 3.4442 3.4467 3.4467 3.5315 3.5315 3.5407 3.5407 4.5605 4.5605 4.5705 4.5705 5.0850 5.0850 5.0991 5.0991 8.1178 8.1178 8.1189 8.1189 9.3137 9.3137 9.3269 9.3269 10.0778 10.0778 k =-0.4889 0.4287 0.4085 ( 17304 PWs) bands (ev): -14.3908 -14.3908 -14.3908 -14.3908 -6.7198 -6.7198 -6.7195 -6.7195 -3.2940 -3.2940 -3.2892 -3.2892 -2.0462 -2.0462 -2.0411 -2.0411 -1.6856 -1.6856 -1.6844 -1.6844 0.6697 0.6697 0.6703 0.6703 1.6242 1.6242 1.6247 1.6247 1.8167 1.8167 1.8187 1.8187 2.6984 2.6984 2.7044 2.7044 3.4454 3.4454 3.4466 3.4466 3.5339 3.5339 3.5385 3.5385 4.5646 4.5646 4.5697 4.5697 5.0912 5.0912 5.0982 5.0982 8.1158 8.1158 8.1163 8.1163 9.3109 9.3109 9.3176 9.3176 10.0841 10.0841 k =-0.5000 0.4154 0.4085 ( 17296 PWs) bands (ev): -14.3908 -14.3908 -14.3908 -14.3908 -6.7195 -6.7195 -6.7195 -6.7195 -3.2919 -3.2919 -3.2919 -3.2919 -2.0441 -2.0441 -2.0441 -2.0441 -1.6852 -1.6852 -1.6852 -1.6852 0.6700 0.6700 0.6700 0.6700 1.6245 1.6245 1.6245 1.6245 1.8182 1.8182 1.8182 1.8182 2.7018 2.7018 2.7018 2.7018 3.4462 3.4462 3.4462 3.4462 3.5363 3.5363 3.5363 3.5363 4.5677 4.5677 4.5677 4.5677 5.0956 5.0956 5.0956 5.0956 8.1153 8.1153 8.1153 8.1153 9.3122 9.3122 9.3122 9.3122 10.0870 10.0870 k =-0.5000 0.4154 0.4085 ( 17296 PWs) bands (ev): -14.3908 -14.3908 -14.3908 -14.3908 -6.7195 -6.7195 -6.7195 -6.7195 -3.2919 -3.2919 -3.2919 -3.2919 -2.0441 -2.0441 -2.0441 -2.0441 -1.6852 -1.6852 -1.6852 -1.6852 0.6700 0.6700 0.6700 0.6700 1.6245 1.6245 1.6245 1.6245 1.8182 1.8182 1.8182 1.8182 2.7018 2.7018 2.7018 2.7018 3.4462 3.4462 3.4462 3.4462 3.5363 3.5363 3.5363 3.5363 4.5677 4.5677 4.5677 4.5677 5.0956 5.0956 5.0956 5.0956 8.1153 8.1153 8.1153 8.1153 9.3122 9.3122 9.3122 9.3122 10.0870 10.0870 k =-0.5000 0.4154 0.3908 ( 17316 PWs) bands (ev): -14.3940 -14.3940 -14.3877 -14.3877 -6.7411 -6.7411 -6.6975 -6.6975 -3.2980 -3.2980 -3.2856 -3.2856 -2.0530 -2.0530 -2.0348 -2.0348 -1.6960 -1.6960 -1.6755 -1.6755 0.6268 0.6268 0.7122 0.7122 1.5849 1.5849 1.6623 1.6623 1.7966 1.7966 1.8440 1.8440 2.7000 2.7000 2.7048 2.7048 3.4282 3.4282 3.4641 3.4641 3.5328 3.5328 3.5407 3.5407 4.5311 4.5311 4.6006 4.6006 5.0470 5.0470 5.1448 5.1448 8.0583 8.0583 8.1824 8.1824 9.2298 9.2298 9.3920 9.3920 10.0075 10.0075 k =-0.5000 0.4154 0.3730 ( 17288 PWs) bands (ev): -14.3971 -14.3971 -14.3845 -14.3845 -6.7625 -6.7625 -6.6754 -6.6754 -3.3039 -3.3039 -3.2791 -3.2791 -2.0614 -2.0614 -2.0249 -2.0249 -1.7075 -1.7075 -1.6668 -1.6668 0.5830 0.5830 0.7527 0.7527 1.5453 1.5453 1.6966 1.6966 1.7783 1.7783 1.8752 1.8752 2.6996 2.6996 2.7091 2.7091 3.4105 3.4105 3.4810 3.4810 3.5310 3.5310 3.5457 3.5457 4.4916 4.4916 4.6290 4.6290 4.9994 4.9994 5.1944 5.1944 8.0125 8.0125 8.2588 8.2588 9.1458 9.1458 9.4675 9.4675 9.9286 9.9286 k =-0.5000 0.4154 0.3552 ( 17272 PWs) bands (ev): -14.4003 -14.4003 -14.3814 -14.3814 -6.7833 -6.7833 -6.6533 -6.6533 -3.3097 -3.3097 -3.2725 -3.2725 -2.0693 -2.0693 -2.0147 -2.0147 -1.7198 -1.7198 -1.6593 -1.6593 0.5392 0.5392 0.7905 0.7905 1.5069 1.5069 1.7259 1.7259 1.7629 1.7629 1.9125 1.9125 2.7007 2.7007 2.7144 2.7144 3.3935 3.3935 3.4947 3.4947 3.5330 3.5330 3.5510 3.5510 4.4498 4.4498 4.6520 4.6520 4.9532 4.9532 5.2444 5.2444 7.9784 7.9784 8.3435 8.3435 9.0607 9.0607 9.5350 9.5350 9.8547 9.8547 k =-0.5000 0.4154 0.3375 ( 17284 PWs) bands (ev): -14.4033 -14.4033 -14.3784 -14.3784 -6.8037 -6.8037 -6.6311 -6.6311 -3.3154 -3.3154 -3.2658 -3.2658 -2.0768 -2.0768 -2.0040 -2.0040 -1.7326 -1.7326 -1.6530 -1.6530 0.4959 0.4959 0.8246 0.8246 1.4711 1.4711 1.7434 1.7434 1.7568 1.7568 1.9557 1.9557 2.7033 2.7033 2.7207 2.7207 3.3773 3.3773 3.5020 3.5020 3.5418 3.5418 3.5566 3.5566 4.4063 4.4063 4.6686 4.6686 4.9091 4.9091 5.2946 5.2946 7.9566 7.9566 8.4353 8.4353 8.9753 8.9753 9.5827 9.5827 9.7978 9.7978 k =-0.5000 0.4154 0.3197 ( 17278 PWs) bands (ev): -14.4063 -14.4063 -14.3753 -14.3753 -6.8235 -6.8235 -6.6091 -6.6091 -3.3208 -3.3208 -3.2590 -3.2590 -2.0840 -2.0840 -1.9928 -1.9928 -1.7457 -1.7457 -1.6479 -1.6479 0.4532 0.4532 0.8540 0.8540 1.4391 1.4391 1.7349 1.7349 1.7742 1.7742 2.0041 2.0041 2.7077 2.7077 2.7279 2.7279 3.3622 3.3622 3.5038 3.5038 3.5562 3.5562 3.5626 3.5626 4.3616 4.3616 4.6774 4.6774 4.8683 4.8683 5.3448 5.3448 7.9475 7.9475 8.5330 8.5330 8.8900 8.8900 9.5821 9.5821 9.7868 9.7868 k =-0.5000 0.4154 0.3019 ( 17264 PWs) bands (ev): -14.4093 -14.4093 -14.3724 -14.3724 -6.8426 -6.8426 -6.5873 -6.5873 -3.3262 -3.3262 -3.2522 -3.2522 -2.0907 -2.0907 -1.9813 -1.9813 -1.7589 -1.7589 -1.6440 -1.6440 0.4115 0.4115 0.8775 0.8775 1.4118 1.4118 1.7252 1.7252 1.7913 1.7913 2.0564 2.0564 2.7138 2.7138 2.7359 2.7359 3.3481 3.3481 3.5034 3.5034 3.5674 3.5674 3.5742 3.5742 4.3160 4.3160 4.6767 4.6767 4.8325 4.8325 5.3949 5.3949 7.9509 7.9509 8.6346 8.6346 8.8058 8.8058 9.5320 9.5320 9.8229 9.8229 k =-0.5000 0.4154 0.2842 ( 17264 PWs) bands (ev): -14.4122 -14.4122 -14.3696 -14.3696 -6.8610 -6.8610 -6.5659 -6.5659 -3.3314 -3.3314 -3.2453 -3.2453 -2.0971 -2.0971 -1.9695 -1.9695 -1.7720 -1.7720 -1.6412 -1.6412 0.3710 0.3710 0.8939 0.8939 1.3901 1.3901 1.7172 1.7172 1.8060 1.8060 2.1115 2.1115 2.7218 2.7218 2.7444 2.7444 3.3354 3.3354 3.5025 3.5025 3.5735 3.5735 3.5914 3.5914 4.2700 4.2700 4.6646 4.6646 4.8038 4.8038 5.4448 5.4448 7.9668 7.9668 8.7096 8.7096 8.7522 8.7522 9.4641 9.4641 9.8746 9.8746 k =-0.5000 0.4154 0.2664 ( 17268 PWs) bands (ev): -14.4149 -14.4149 -14.3668 -14.3668 -6.8786 -6.8786 -6.5449 -6.5449 -3.3365 -3.3365 -3.2385 -3.2385 -2.1032 -2.1032 -1.9574 -1.9574 -1.7849 -1.7849 -1.6397 -1.6397 0.3319 0.3319 0.9026 0.9026 1.3745 1.3745 1.7112 1.7112 1.8188 1.8188 2.1687 2.1687 2.7317 2.7317 2.7535 2.7535 3.3242 3.3242 3.5018 3.5018 3.5792 3.5792 3.6084 3.6084 4.2236 4.2236 4.6415 4.6415 4.7824 4.7824 5.4945 5.4945 7.9944 7.9944 8.6351 8.6351 8.8506 8.8506 9.3924 9.3924 9.9277 9.9277 k =-0.5000 0.4154 0.2487 ( 17286 PWs) bands (ev): -14.4176 -14.4176 -14.3642 -14.3642 -6.8954 -6.8954 -6.5245 -6.5245 -3.3414 -3.3414 -3.2318 -3.2318 -2.1091 -2.1091 -1.9452 -1.9452 -1.7971 -1.7971 -1.6391 -1.6391 0.2944 0.2944 0.9037 0.9037 1.3646 1.3646 1.7071 1.7071 1.8298 1.8298 2.2272 2.2272 2.7437 2.7437 2.7629 2.7629 3.3147 3.3147 3.5014 3.5014 3.5847 3.5847 3.6245 3.6245 4.1771 4.1771 4.6105 4.6105 4.7658 4.7658 5.5437 5.5437 8.0329 8.0329 8.5548 8.5548 8.9553 8.9553 9.3218 9.3218 9.9774 9.9774 k =-0.5000 0.4154 0.2309 ( 17292 PWs) bands (ev): -14.4201 -14.4201 -14.3617 -14.3617 -6.9112 -6.9112 -6.5048 -6.5048 -3.3463 -3.3463 -3.2252 -3.2252 -2.1147 -2.1147 -1.9328 -1.9328 -1.8087 -1.8087 -1.6396 -1.6396 0.2585 0.2585 0.8979 0.8979 1.3596 1.3596 1.7051 1.7051 1.8394 1.8394 2.2864 2.2864 2.7578 2.7578 2.7725 2.7725 3.3069 3.3069 3.5015 3.5015 3.5901 3.5901 3.6392 3.6392 4.1304 4.1304 4.5752 4.5752 4.7513 4.7513 5.5922 5.5922 8.0806 8.0806 8.4768 8.4768 9.0550 9.0550 9.2550 9.2550 10.0218 10.0218 k =-0.5000 0.4154 0.2131 ( 17308 PWs) bands (ev): -14.4225 -14.4225 -14.3593 -14.3593 -6.9261 -6.9261 -6.4859 -6.4859 -3.3511 -3.3511 -3.2188 -3.2188 -2.1202 -2.1202 -1.9205 -1.9205 -1.8193 -1.8193 -1.6410 -1.6410 0.2245 0.2245 0.8867 0.8867 1.3580 1.3580 1.7052 1.7052 1.8477 1.8477 2.3456 2.3456 2.7740 2.7740 2.7822 2.7822 3.3012 3.3012 3.5021 3.5021 3.5951 3.5951 3.6522 3.6522 4.0837 4.0837 4.5381 4.5381 4.7373 4.7373 5.6398 5.6398 8.1350 8.1350 8.4028 8.4028 9.1378 9.1378 9.2009 9.2009 10.0598 10.0598 k =-0.5000 0.4154 0.1954 ( 17322 PWs) bands (ev): -14.4247 -14.4247 -14.3571 -14.3571 -6.9399 -6.9399 -6.4680 -6.4680 -3.3557 -3.3557 -3.2126 -3.2126 -2.1254 -2.1254 -1.9083 -1.9083 -1.8289 -1.8289 -1.6431 -1.6431 0.1925 0.1925 0.8715 0.8715 1.3586 1.3586 1.7070 1.7070 1.8550 1.8550 2.4040 2.4040 2.7911 2.7911 2.7931 2.7931 3.2976 3.2976 3.5033 3.5033 3.5998 3.5998 3.6633 3.6633 4.0368 4.0368 4.5009 4.5009 4.7234 4.7234 5.6863 5.6863 8.1892 8.1892 8.3382 8.3382 9.1232 9.1232 9.2361 9.2361 10.0923 10.0923 k =-0.5000 0.4154 0.1776 ( 17316 PWs) bands (ev): -14.4268 -14.4268 -14.3550 -14.3550 -6.9528 -6.9528 -6.4511 -6.4511 -3.3602 -3.3602 -3.2068 -3.2068 -2.1305 -2.1305 -1.8964 -1.8964 -1.8372 -1.8372 -1.6460 -1.6460 0.1626 0.1626 0.8540 0.8540 1.3601 1.3601 1.7102 1.7102 1.8614 1.8614 2.4608 2.4608 2.8006 2.8006 2.8136 2.8136 3.2963 3.2963 3.5050 3.5050 3.6040 3.6040 3.6723 3.6723 3.9897 3.9897 4.4644 4.4644 4.7096 4.7096 5.7313 5.7313 8.2094 8.2094 8.3149 8.3149 9.0757 9.0757 9.2926 9.2926 10.1230 10.1230 k =-0.5000 0.4154 0.1599 ( 17318 PWs) bands (ev): -14.4287 -14.4287 -14.3531 -14.3531 -6.9645 -6.9645 -6.4354 -6.4354 -3.3644 -3.3644 -3.2014 -3.2014 -2.1353 -2.1353 -1.8851 -1.8851 -1.8442 -1.8442 -1.6493 -1.6493 0.1349 0.1349 0.8354 0.8354 1.3618 1.3618 1.7146 1.7146 1.8668 1.8668 2.5149 2.5149 2.8093 2.8093 2.8372 2.8372 3.2975 3.2975 3.5071 3.5071 3.6077 3.6077 3.6789 3.6789 3.9425 3.9425 4.4295 4.4295 4.6964 4.6964 5.7745 5.7745 8.1657 8.1657 8.3596 8.3596 9.0360 9.0360 9.3287 9.3287 10.1558 10.1558 k =-0.5000 0.4154 0.1421 ( 17322 PWs) bands (ev): -14.4305 -14.4305 -14.3514 -14.3514 -6.9751 -6.9751 -6.4210 -6.4210 -3.3685 -3.3685 -3.1963 -3.1963 -2.1399 -2.1399 -1.8750 -1.8750 -1.8493 -1.8493 -1.6531 -1.6531 0.1096 0.1096 0.8168 0.8168 1.3632 1.3632 1.7196 1.7196 1.8716 1.8716 2.5653 2.5653 2.8173 2.8173 2.8635 2.8635 3.3012 3.3012 3.5095 3.5095 3.6106 3.6106 3.6834 3.6834 3.8952 3.8952 4.3965 4.3965 4.6841 4.6841 5.8154 5.8154 8.1087 8.1087 8.4179 8.4179 9.0090 9.0090 9.3433 9.3433 10.1907 10.1907 k =-0.5000 0.4154 0.1243 ( 17338 PWs) bands (ev): -14.4320 -14.4320 -14.3499 -14.3499 -6.9845 -6.9845 -6.4080 -6.4080 -3.3722 -3.3722 -3.1917 -3.1917 -2.1441 -2.1441 -1.8678 -1.8678 -1.8512 -1.8512 -1.6571 -1.6571 0.0869 0.0869 0.7989 0.7989 1.3641 1.3641 1.7248 1.7248 1.8757 1.8757 2.6106 2.6106 2.8246 2.8246 2.8926 2.8926 3.3077 3.3077 3.5121 3.5121 3.6127 3.6127 3.6856 3.6856 3.8482 3.8482 4.3660 4.3660 4.6732 4.6732 5.8535 5.8535 8.0533 8.0533 8.4699 8.4699 8.9991 8.9991 9.3406 9.3406 10.2239 10.2239 k =-0.5000 0.4154 0.1066 ( 17336 PWs) bands (ev): -14.4334 -14.4334 -14.3485 -14.3485 -6.9927 -6.9927 -6.3965 -6.3965 -3.3757 -3.3757 -3.1877 -3.1877 -2.1480 -2.1480 -1.8662 -1.8662 -1.8472 -1.8472 -1.6611 -1.6611 0.0668 0.0668 0.7824 0.7824 1.3646 1.3646 1.7298 1.7298 1.8791 1.8791 2.6498 2.6498 2.8311 2.8311 2.9242 2.9242 3.3168 3.3168 3.5144 3.5144 3.6138 3.6138 3.6858 3.6858 3.8021 3.8021 4.3383 4.3383 4.6638 4.6638 5.8883 5.8883 8.0026 8.0026 8.5082 8.5082 9.0093 9.0093 9.3266 9.3266 10.2522 10.2522 k =-0.5000 0.4154 0.0888 ( 17340 PWs) bands (ev): -14.4346 -14.4346 -14.3474 -14.3474 -6.9997 -6.9997 -6.3866 -6.3866 -3.3787 -3.3787 -3.1841 -3.1841 -2.1514 -2.1514 -1.8676 -1.8676 -1.8403 -1.8403 -1.6650 -1.6650 0.0496 0.0496 0.7678 0.7678 1.3647 1.3647 1.7345 1.7345 1.8820 1.8820 2.6824 2.6824 2.8366 2.8366 2.9573 2.9573 3.3289 3.3289 3.5160 3.5160 3.6138 3.6138 3.6832 3.6832 3.7589 3.7589 4.3140 4.3140 4.6561 4.6561 5.9192 5.9192 7.9577 7.9577 8.5305 8.5305 9.0387 9.0387 9.3071 9.3071 10.2746 10.2746 k =-0.5000 0.4154 0.0710 ( 17330 PWs) bands (ev): -14.4355 -14.4355 -14.3464 -14.3464 -7.0055 -7.0055 -6.3784 -6.3784 -3.3812 -3.3812 -3.1812 -3.1812 -2.1543 -2.1543 -1.8694 -1.8694 -1.8335 -1.8335 -1.6686 -1.6686 0.0353 0.0353 0.7554 0.7554 1.3646 1.3646 1.7385 1.7385 1.8844 1.8844 2.7083 2.7083 2.8412 2.8412 2.9899 2.9899 3.3438 3.3438 3.5160 3.5160 3.6129 3.6129 3.6749 3.6749 3.7234 3.7234 4.2933 4.2933 4.6500 4.6500 5.9456 5.9456 7.9197 7.9197 8.5398 8.5398 9.0813 9.0813 9.2865 9.2865 10.2916 10.2916 k =-0.5000 0.4154 0.0533 ( 17332 PWs) bands (ev): -14.4363 -14.4363 -14.3457 -14.3457 -7.0099 -7.0099 -6.3719 -6.3719 -3.3833 -3.3833 -3.1789 -3.1789 -2.1566 -2.1566 -1.8708 -1.8708 -1.8276 -1.8276 -1.6717 -1.6717 0.0240 0.0240 0.7454 0.7454 1.3644 1.3644 1.7417 1.7417 1.8862 1.8862 2.7277 2.7277 2.8447 2.8447 3.0196 3.0196 3.3617 3.3617 3.5130 3.5130 3.6111 3.6111 3.6547 3.6547 3.7045 3.7045 4.2768 4.2768 4.6454 4.6454 5.9669 5.9669 7.8892 7.8892 8.5411 8.5411 9.1276 9.1276 9.2679 9.2679 10.3038 10.3038 k =-0.5000 0.4154 0.0355 ( 17336 PWs) bands (ev): -14.4368 -14.4368 -14.3452 -14.3452 -7.0132 -7.0132 -6.3673 -6.3673 -3.3848 -3.3848 -3.1772 -3.1772 -2.1583 -2.1583 -1.8718 -1.8718 -1.8233 -1.8233 -1.6741 -1.6741 0.0159 0.0159 0.7382 0.7382 1.3641 1.3641 1.7440 1.7440 1.8876 1.8876 2.7412 2.7412 2.8473 2.8473 3.0436 3.0436 3.3817 3.3817 3.5050 3.5050 3.6091 3.6091 3.6305 3.6305 3.6982 3.6982 4.2647 4.2647 4.6423 4.6423 5.9826 5.9826 7.8670 7.8670 8.5391 8.5391 9.1683 9.1683 9.2537 9.2537 10.3121 10.3121 k =-0.5000 0.4154 0.0178 ( 17338 PWs) bands (ev): -14.4372 -14.4372 -14.3448 -14.3448 -7.0151 -7.0151 -6.3645 -6.3645 -3.3857 -3.3857 -3.1762 -3.1762 -2.1594 -2.1594 -1.8724 -1.8724 -1.8206 -1.8206 -1.6756 -1.6756 0.0110 0.0110 0.7338 0.7338 1.3639 1.3639 1.7454 1.7454 1.8884 1.8884 2.7490 2.7490 2.8488 2.8488 3.0593 3.0593 3.4008 3.4008 3.4928 3.4928 3.6075 3.6075 3.6142 3.6142 3.6960 3.6960 4.2573 4.2573 4.6405 4.6405 5.9922 5.9922 7.8534 7.8534 8.5368 8.5368 9.1956 9.1956 9.2455 9.2455 10.3168 10.3168 k =-0.5000 0.4154 0.0000 ( 17352 PWs) bands (ev): -14.4373 -14.4373 -14.3447 -14.3447 -7.0158 -7.0158 -6.3635 -6.3635 -3.3860 -3.3860 -3.1759 -3.1759 -2.1597 -2.1597 -1.8726 -1.8726 -1.8196 -1.8196 -1.6761 -1.6761 0.0093 0.0093 0.7324 0.7324 1.3638 1.3638 1.7459 1.7459 1.8886 1.8886 2.7516 2.7516 2.8493 2.8493 3.0647 3.0647 3.4102 3.4102 3.4855 3.4855 3.6077 3.6077 3.6079 3.6079 3.6954 3.6954 4.2549 4.2549 4.6399 4.6399 5.9954 5.9954 7.8489 7.8489 8.5359 8.5359 9.2047 9.2047 9.2432 9.2432 10.3183 10.3183 k = 0.0000 0.0000 0.4085 ( 17276 PWs) bands (ev): -14.3978 -14.3978 -14.3978 -14.3978 -6.7224 -6.7224 -6.7224 -6.7224 -3.2368 -3.2368 -3.2368 -3.2368 -1.9264 -1.9264 -1.9264 -1.9264 -1.6800 -1.6800 -1.6800 -1.6800 0.6685 0.6685 0.6685 0.6685 1.6219 1.6219 1.6219 1.6219 1.7719 1.7719 1.7719 1.7719 2.6541 2.6541 2.6541 2.6541 3.3279 3.3279 3.3279 3.3279 3.4711 3.4711 3.4711 3.4711 4.5882 4.5882 4.5882 4.5882 5.3253 5.3253 5.3253 5.3253 8.2157 8.2157 8.2157 8.2157 8.5846 8.5846 8.5846 8.5846 9.7962 9.7962 k =-0.0135 0.0112 0.4085 ( 17272 PWs) bands (ev): -14.3977 -14.3977 -14.3977 -14.3977 -6.7224 -6.7224 -6.7224 -6.7224 -3.2369 -3.2369 -3.2369 -3.2369 -1.9265 -1.9265 -1.9265 -1.9265 -1.6799 -1.6799 -1.6799 -1.6799 0.6682 0.6682 0.6682 0.6682 1.6217 1.6217 1.6217 1.6217 1.7720 1.7720 1.7720 1.7720 2.6542 2.6542 2.6542 2.6542 3.3276 3.3276 3.3276 3.3276 3.4712 3.4712 3.4712 3.4712 4.5884 4.5884 4.5884 4.5884 5.3248 5.3248 5.3248 5.3248 8.2178 8.2178 8.2178 8.2178 8.5876 8.5876 8.5876 8.5876 9.8000 9.8000 k =-0.0270 0.0225 0.4085 ( 17264 PWs) bands (ev): -14.3977 -14.3977 -14.3977 -14.3977 -6.7225 -6.7225 -6.7225 -6.7225 -3.2370 -3.2370 -3.2370 -3.2370 -1.9269 -1.9269 -1.9269 -1.9269 -1.6795 -1.6795 -1.6795 -1.6795 0.6674 0.6674 0.6674 0.6674 1.6210 1.6210 1.6210 1.6210 1.7722 1.7722 1.7722 1.7722 2.6544 2.6544 2.6544 2.6544 3.3266 3.3266 3.3266 3.3266 3.4715 3.4715 3.4715 3.4715 4.5891 4.5891 4.5891 4.5891 5.3232 5.3232 5.3232 5.3232 8.2240 8.2240 8.2240 8.2240 8.5968 8.5968 8.5968 8.5968 9.8113 9.8113 k =-0.0405 0.0337 0.4085 ( 17256 PWs) bands (ev): -14.3976 -14.3976 -14.3976 -14.3976 -6.7226 -6.7226 -6.7226 -6.7226 -3.2371 -3.2371 -3.2371 -3.2371 -1.9275 -1.9275 -1.9275 -1.9275 -1.6789 -1.6789 -1.6789 -1.6789 0.6661 0.6661 0.6661 0.6661 1.6198 1.6198 1.6198 1.6198 1.7725 1.7725 1.7725 1.7725 2.6547 2.6547 2.6547 2.6547 3.3249 3.3249 3.3249 3.3249 3.4720 3.4720 3.4720 3.4720 4.5902 4.5902 4.5902 4.5902 5.3205 5.3205 5.3205 5.3205 8.2343 8.2343 8.2343 8.2343 8.6120 8.6120 8.6120 8.6120 9.8295 9.8295 k =-0.0541 0.0449 0.4085 ( 17254 PWs) bands (ev): -14.3975 -14.3975 -14.3975 -14.3975 -6.7228 -6.7228 -6.7228 -6.7228 -3.2373 -3.2373 -3.2373 -3.2373 -1.9284 -1.9284 -1.9284 -1.9284 -1.6780 -1.6780 -1.6780 -1.6780 0.6643 0.6643 0.6643 0.6643 1.6183 1.6183 1.6183 1.6183 1.7730 1.7730 1.7730 1.7730 2.6551 2.6551 2.6551 2.6551 3.3227 3.3227 3.3227 3.3227 3.4728 3.4728 3.4728 3.4728 4.5918 4.5918 4.5918 4.5918 5.3168 5.3168 5.3168 5.3168 8.2487 8.2487 8.2487 8.2487 8.6331 8.6331 8.6331 8.6331 9.8537 9.8537 k =-0.0676 0.0561 0.4085 ( 17242 PWs) bands (ev): -14.3974 -14.3974 -14.3974 -14.3974 -6.7230 -6.7230 -6.7230 -6.7230 -3.2376 -3.2376 -3.2376 -3.2376 -1.9295 -1.9295 -1.9295 -1.9295 -1.6769 -1.6769 -1.6769 -1.6769 0.6621 0.6621 0.6621 0.6621 1.6164 1.6164 1.6164 1.6164 1.7736 1.7736 1.7736 1.7736 2.6556 2.6556 2.6556 2.6556 3.3201 3.3201 3.3201 3.3201 3.4737 3.4737 3.4737 3.4737 4.5936 4.5936 4.5936 4.5936 5.3122 5.3122 5.3122 5.3122 8.2669 8.2669 8.2669 8.2669 8.6601 8.6601 8.6601 8.6601 9.8822 9.8822 k =-0.0811 0.0674 0.4085 ( 17254 PWs) bands (ev): -14.3973 -14.3973 -14.3973 -14.3973 -6.7233 -6.7233 -6.7233 -6.7233 -3.2379 -3.2379 -3.2379 -3.2379 -1.9310 -1.9310 -1.9310 -1.9310 -1.6756 -1.6756 -1.6756 -1.6756 0.6595 0.6595 0.6595 0.6595 1.6141 1.6141 1.6141 1.6141 1.7743 1.7743 1.7743 1.7743 2.6562 2.6562 2.6562 2.6562 3.3171 3.3171 3.3171 3.3171 3.4749 3.4749 3.4749 3.4749 4.5957 4.5957 4.5957 4.5957 5.3066 5.3066 5.3066 5.3066 8.2890 8.2890 8.2890 8.2890 8.6927 8.6927 8.6927 8.6927 9.9125 9.9125 k =-0.0946 0.0786 0.4085 ( 17272 PWs) bands (ev): -14.3971 -14.3971 -14.3971 -14.3971 -6.7236 -6.7236 -6.7236 -6.7236 -3.2384 -3.2384 -3.2384 -3.2384 -1.9327 -1.9327 -1.9327 -1.9327 -1.6742 -1.6742 -1.6742 -1.6742 0.6567 0.6567 0.6567 0.6567 1.6117 1.6117 1.6117 1.6117 1.7752 1.7752 1.7752 1.7752 2.6570 2.6570 2.6570 2.6570 3.3139 3.3139 3.3139 3.3139 3.4763 3.4763 3.4763 3.4763 4.5980 4.5980 4.5980 4.5980 5.3002 5.3002 5.3002 5.3002 8.3147 8.3147 8.3147 8.3147 8.7306 8.7306 8.7306 8.7306 9.9402 9.9402 k =-0.1081 0.0898 0.4085 ( 17260 PWs) bands (ev): -14.3970 -14.3970 -14.3970 -14.3970 -6.7239 -6.7239 -6.7239 -6.7239 -3.2390 -3.2390 -3.2390 -3.2390 -1.9347 -1.9347 -1.9347 -1.9347 -1.6727 -1.6727 -1.6727 -1.6727 0.6536 0.6536 0.6536 0.6536 1.6091 1.6091 1.6091 1.6091 1.7762 1.7762 1.7762 1.7762 2.6578 2.6578 2.6578 2.6578 3.3107 3.3107 3.3107 3.3107 3.4780 3.4780 3.4780 3.4780 4.6004 4.6004 4.6004 4.6004 5.2931 5.2931 5.2931 5.2931 8.3438 8.3438 8.3438 8.3438 8.7732 8.7732 8.7732 8.7732 9.9590 9.9590 k =-0.1216 0.1010 0.4085 ( 17268 PWs) bands (ev): -14.3968 -14.3968 -14.3968 -14.3968 -6.7242 -6.7242 -6.7242 -6.7242 -3.2397 -3.2397 -3.2397 -3.2397 -1.9371 -1.9371 -1.9371 -1.9371 -1.6712 -1.6712 -1.6712 -1.6712 0.6504 0.6504 0.6504 0.6504 1.6064 1.6064 1.6064 1.6064 1.7774 1.7774 1.7774 1.7774 2.6588 2.6588 2.6588 2.6588 3.3076 3.3076 3.3076 3.3076 3.4798 3.4798 3.4798 3.4798 4.6028 4.6028 4.6028 4.6028 5.2853 5.2853 5.2853 5.2853 8.3762 8.3762 8.3762 8.3762 8.8200 8.8200 8.8200 8.8200 9.9609 9.9609 k =-0.1351 0.1123 0.4085 ( 17276 PWs) bands (ev): -14.3965 -14.3965 -14.3965 -14.3965 -6.7245 -6.7245 -6.7245 -6.7245 -3.2405 -3.2405 -3.2405 -3.2405 -1.9397 -1.9397 -1.9397 -1.9397 -1.6697 -1.6697 -1.6697 -1.6697 0.6471 0.6471 0.6471 0.6471 1.6037 1.6037 1.6037 1.6037 1.7788 1.7788 1.7788 1.7788 2.6598 2.6598 2.6598 2.6598 3.3047 3.3047 3.3047 3.3047 3.4819 3.4819 3.4819 3.4819 4.6052 4.6052 4.6052 4.6052 5.2770 5.2770 5.2770 5.2770 8.4115 8.4115 8.4115 8.4115 8.8698 8.8698 8.8698 8.8698 9.9405 9.9405 k =-0.1486 0.1235 0.4085 ( 17270 PWs) bands (ev): -14.3963 -14.3963 -14.3963 -14.3963 -6.7248 -6.7248 -6.7248 -6.7248 -3.2415 -3.2415 -3.2415 -3.2415 -1.9426 -1.9426 -1.9426 -1.9426 -1.6682 -1.6682 -1.6682 -1.6682 0.6440 0.6440 0.6440 0.6440 1.6011 1.6011 1.6011 1.6011 1.7802 1.7802 1.7802 1.7802 2.6610 2.6610 2.6610 2.6610 3.3023 3.3023 3.3023 3.3023 3.4841 3.4841 3.4841 3.4841 4.6076 4.6076 4.6076 4.6076 5.2681 5.2681 5.2681 5.2681 8.4494 8.4494 8.4494 8.4494 8.9209 8.9209 8.9209 8.9209 9.8994 9.8994 k =-0.1622 0.1347 0.4085 ( 17286 PWs) bands (ev): -14.3961 -14.3961 -14.3961 -14.3961 -6.7251 -6.7251 -6.7251 -6.7251 -3.2426 -3.2426 -3.2426 -3.2426 -1.9458 -1.9458 -1.9458 -1.9458 -1.6668 -1.6668 -1.6668 -1.6668 0.6410 0.6410 0.6410 0.6410 1.5986 1.5986 1.5986 1.5986 1.7818 1.7818 1.7818 1.7818 2.6622 2.6622 2.6622 2.6622 3.3003 3.3003 3.3003 3.3003 3.4866 3.4866 3.4866 3.4866 4.6099 4.6099 4.6099 4.6099 5.2589 5.2589 5.2589 5.2589 8.4897 8.4897 8.4897 8.4897 8.9708 8.9708 8.9708 8.9708 9.8456 9.8456 k =-0.1757 0.1459 0.4085 ( 17286 PWs) bands (ev): -14.3958 -14.3958 -14.3958 -14.3958 -6.7253 -6.7253 -6.7253 -6.7253 -3.2439 -3.2439 -3.2439 -3.2439 -1.9494 -1.9494 -1.9494 -1.9494 -1.6656 -1.6656 -1.6656 -1.6656 0.6383 0.6383 0.6383 0.6383 1.5963 1.5963 1.5963 1.5963 1.7835 1.7835 1.7835 1.7835 2.6635 2.6635 2.6635 2.6635 3.2990 3.2990 3.2990 3.2990 3.4891 3.4891 3.4891 3.4891 4.6120 4.6120 4.6120 4.6120 5.2494 5.2494 5.2494 5.2494 8.5319 8.5319 8.5319 8.5319 9.0155 9.0155 9.0155 9.0155 9.7898 9.7898 k =-0.1892 0.1572 0.4085 ( 17284 PWs) bands (ev): -14.3955 -14.3955 -14.3955 -14.3955 -6.7255 -6.7255 -6.7255 -6.7255 -3.2454 -3.2454 -3.2454 -3.2454 -1.9532 -1.9532 -1.9532 -1.9532 -1.6645 -1.6645 -1.6645 -1.6645 0.6360 0.6360 0.6360 0.6360 1.5943 1.5943 1.5943 1.5943 1.7854 1.7854 1.7854 1.7854 2.6649 2.6649 2.6649 2.6649 3.2984 3.2984 3.2984 3.2984 3.4919 3.4919 3.4919 3.4919 4.6141 4.6141 4.6141 4.6141 5.2398 5.2398 5.2398 5.2398 8.5756 8.5756 8.5756 8.5756 9.0488 9.0488 9.0488 9.0488 9.7427 9.7427 k =-0.2027 0.1684 0.4085 ( 17282 PWs) bands (ev): -14.3953 -14.3953 -14.3953 -14.3953 -6.7256 -6.7256 -6.7256 -6.7256 -3.2470 -3.2470 -3.2470 -3.2470 -1.9573 -1.9573 -1.9573 -1.9573 -1.6638 -1.6638 -1.6638 -1.6638 0.6341 0.6341 0.6341 0.6341 1.5927 1.5927 1.5927 1.5927 1.7873 1.7873 1.7873 1.7873 2.6663 2.6663 2.6663 2.6663 3.2986 3.2986 3.2986 3.2986 3.4947 3.4947 3.4947 3.4947 4.6159 4.6159 4.6159 4.6159 5.2300 5.2300 5.2300 5.2300 8.6203 8.6203 8.6203 8.6203 9.0636 9.0636 9.0636 9.0636 9.7151 9.7151 k =-0.2162 0.1796 0.4085 ( 17270 PWs) bands (ev): -14.3950 -14.3950 -14.3950 -14.3950 -6.7257 -6.7257 -6.7257 -6.7257 -3.2488 -3.2488 -3.2488 -3.2488 -1.9617 -1.9617 -1.9617 -1.9617 -1.6632 -1.6632 -1.6632 -1.6632 0.6327 0.6327 0.6327 0.6327 1.5915 1.5915 1.5915 1.5915 1.7892 1.7892 1.7892 1.7892 2.6679 2.6679 2.6679 2.6679 3.2997 3.2997 3.2997 3.2997 3.4976 3.4976 3.4976 3.4976 4.6176 4.6176 4.6176 4.6176 5.2201 5.2201 5.2201 5.2201 8.6652 8.6652 8.6652 8.6652 9.0542 9.0542 9.0542 9.0542 9.7144 9.7144 k =-0.2297 0.1908 0.4085 ( 17286 PWs) bands (ev): -14.3947 -14.3947 -14.3947 -14.3947 -6.7257 -6.7257 -6.7257 -6.7257 -3.2508 -3.2508 -3.2508 -3.2508 -1.9663 -1.9663 -1.9663 -1.9663 -1.6630 -1.6630 -1.6630 -1.6630 0.6319 0.6319 0.6319 0.6319 1.5906 1.5906 1.5906 1.5906 1.7912 1.7912 1.7912 1.7912 2.6695 2.6695 2.6695 2.6695 3.3017 3.3017 3.3017 3.3017 3.5006 3.5006 3.5006 3.5006 4.6191 4.6191 4.6191 4.6191 5.2104 5.2104 5.2104 5.2104 8.7091 8.7091 8.7091 8.7091 9.0219 9.0219 9.0219 9.0219 9.7412 9.7412 k =-0.2432 0.2021 0.4085 ( 17278 PWs) bands (ev): -14.3944 -14.3944 -14.3944 -14.3944 -6.7256 -6.7256 -6.7256 -6.7256 -3.2530 -3.2530 -3.2530 -3.2530 -1.9711 -1.9711 -1.9711 -1.9711 -1.6631 -1.6631 -1.6631 -1.6631 0.6317 0.6317 0.6317 0.6317 1.5902 1.5902 1.5902 1.5902 1.7933 1.7933 1.7933 1.7933 2.6712 2.6712 2.6712 2.6712 3.3047 3.3047 3.3047 3.3047 3.5036 3.5036 3.5036 3.5036 4.6202 4.6202 4.6202 4.6202 5.2007 5.2007 5.2007 5.2007 8.7489 8.7489 8.7489 8.7489 8.9752 8.9752 8.9752 8.9752 9.7900 9.7900 k =-0.2568 0.2133 0.4085 ( 17288 PWs) bands (ev): -14.3941 -14.3941 -14.3941 -14.3941 -6.7255 -6.7255 -6.7255 -6.7255 -3.2553 -3.2553 -3.2553 -3.2553 -1.9760 -1.9760 -1.9760 -1.9760 -1.6635 -1.6635 -1.6635 -1.6635 0.6320 0.6320 0.6320 0.6320 1.5903 1.5903 1.5903 1.5903 1.7953 1.7953 1.7953 1.7953 2.6729 2.6729 2.6729 2.6729 3.3086 3.3086 3.3086 3.3086 3.5066 3.5066 3.5066 3.5066 4.6211 4.6211 4.6211 4.6211 5.1912 5.1912 5.1912 5.1912 8.7754 8.7754 8.7754 8.7754 8.9303 8.9303 8.9303 8.9303 9.8533 9.8533 k =-0.2703 0.2245 0.4085 ( 17300 PWs) bands (ev): -14.3938 -14.3938 -14.3938 -14.3938 -6.7253 -6.7253 -6.7253 -6.7253 -3.2578 -3.2578 -3.2578 -3.2578 -1.9812 -1.9812 -1.9812 -1.9812 -1.6642 -1.6642 -1.6642 -1.6642 0.6330 0.6330 0.6330 0.6330 1.5908 1.5908 1.5908 1.5908 1.7973 1.7973 1.7973 1.7973 2.6748 2.6748 2.6748 2.6748 3.3136 3.3136 3.3136 3.3136 3.5096 3.5096 3.5096 3.5096 4.6215 4.6215 4.6215 4.6215 5.1820 5.1820 5.1820 5.1820 8.7640 8.7640 8.7640 8.7640 8.9170 8.9170 8.9170 8.9170 9.9247 9.9247 k =-0.2838 0.2357 0.4085 ( 17304 PWs) bands (ev): -14.3935 -14.3935 -14.3935 -14.3935 -6.7251 -6.7251 -6.7251 -6.7251 -3.2603 -3.2603 -3.2603 -3.2603 -1.9864 -1.9864 -1.9864 -1.9864 -1.6651 -1.6651 -1.6651 -1.6651 0.6344 0.6344 0.6344 0.6344 1.5917 1.5917 1.5917 1.5917 1.7993 1.7993 1.7993 1.7993 2.6767 2.6767 2.6767 2.6767 3.3195 3.3195 3.3195 3.3195 3.5126 3.5126 3.5126 3.5126 4.6214 4.6214 4.6214 4.6214 5.1730 5.1730 5.1730 5.1730 8.7131 8.7131 8.7131 8.7131 8.9405 8.9405 8.9405 8.9405 9.9992 9.9992 k =-0.2973 0.2470 0.4085 ( 17304 PWs) bands (ev): -14.3932 -14.3932 -14.3932 -14.3932 -6.7248 -6.7248 -6.7248 -6.7248 -3.2630 -3.2630 -3.2630 -3.2630 -1.9917 -1.9917 -1.9917 -1.9917 -1.6663 -1.6663 -1.6663 -1.6663 0.6364 0.6364 0.6364 0.6364 1.5931 1.5931 1.5931 1.5931 1.8013 1.8013 1.8013 1.8013 2.6787 2.6787 2.6787 2.6787 3.3263 3.3263 3.3263 3.3263 3.5155 3.5155 3.5155 3.5155 4.6208 4.6208 4.6208 4.6208 5.1644 5.1644 5.1644 5.1644 8.6486 8.6486 8.6486 8.6486 8.9769 8.9769 8.9769 8.9769 10.0727 10.0727 k =-0.3108 0.2582 0.4085 ( 17302 PWs) bands (ev): -14.3930 -14.3930 -14.3930 -14.3930 -6.7244 -6.7244 -6.7244 -6.7244 -3.2657 -3.2657 -3.2657 -3.2657 -1.9970 -1.9970 -1.9970 -1.9970 -1.6677 -1.6677 -1.6677 -1.6677 0.6387 0.6387 0.6387 0.6387 1.5949 1.5949 1.5949 1.5949 1.8032 1.8032 1.8032 1.8032 2.6807 2.6807 2.6807 2.6807 3.3340 3.3340 3.3340 3.3340 3.5183 3.5183 3.5183 3.5183 4.6195 4.6195 4.6195 4.6195 5.1562 5.1562 5.1562 5.1562 8.5820 8.5820 8.5820 8.5820 9.0161 9.0161 9.0161 9.0161 10.1411 10.1411 k =-0.3243 0.2694 0.4085 ( 17290 PWs) bands (ev): -14.3927 -14.3927 -14.3927 -14.3927 -6.7240 -6.7240 -6.7240 -6.7240 -3.2685 -3.2685 -3.2685 -3.2685 -2.0023 -2.0023 -2.0023 -2.0023 -1.6692 -1.6692 -1.6692 -1.6692 0.6414 0.6414 0.6414 0.6414 1.5970 1.5970 1.5970 1.5970 1.8051 1.8051 1.8051 1.8051 2.6828 2.6828 2.6828 2.6828 3.3425 3.3425 3.3425 3.3425 3.5209 3.5209 3.5209 3.5209 4.6176 4.6176 4.6176 4.6176 5.1484 5.1484 5.1484 5.1484 8.5171 8.5171 8.5171 8.5171 9.0551 9.0551 9.0551 9.0551 10.2006 10.2006 k =-0.3378 0.2807 0.4085 ( 17306 PWs) bands (ev): -14.3924 -14.3924 -14.3924 -14.3924 -6.7236 -6.7236 -6.7236 -6.7236 -3.2712 -3.2712 -3.2712 -3.2712 -2.0075 -2.0075 -2.0075 -2.0075 -1.6709 -1.6709 -1.6709 -1.6709 0.6444 0.6444 0.6444 0.6444 1.5995 1.5995 1.5995 1.5995 1.8069 1.8069 1.8069 1.8069 2.6849 2.6849 2.6849 2.6849 3.3518 3.3518 3.3518 3.3518 3.5234 3.5234 3.5234 3.5234 4.6150 4.6150 4.6150 4.6150 5.1410 5.1410 5.1410 5.1410 8.4558 8.4558 8.4558 8.4558 9.0925 9.0925 9.0925 9.0925 10.2471 10.2471 k =-0.3514 0.2919 0.4085 ( 17306 PWs) bands (ev): -14.3922 -14.3922 -14.3922 -14.3922 -6.7231 -6.7231 -6.7231 -6.7231 -3.2740 -3.2740 -3.2740 -3.2740 -2.0126 -2.0126 -2.0126 -2.0126 -1.6726 -1.6726 -1.6726 -1.6726 0.6475 0.6475 0.6475 0.6475 1.6021 1.6021 1.6021 1.6021 1.8085 1.8085 1.8085 1.8085 2.6871 2.6871 2.6871 2.6871 3.3616 3.3616 3.3616 3.3616 3.5258 3.5258 3.5258 3.5258 4.6117 4.6117 4.6117 4.6117 5.1340 5.1340 5.1340 5.1340 8.3989 8.3989 8.3989 8.3989 9.1277 9.1277 9.1277 9.1277 10.2774 10.2774 k =-0.3649 0.3031 0.4085 ( 17318 PWs) bands (ev): -14.3920 -14.3920 -14.3920 -14.3920 -6.7226 -6.7226 -6.7226 -6.7226 -3.2766 -3.2766 -3.2766 -3.2766 -2.0174 -2.0174 -2.0174 -2.0174 -1.6744 -1.6744 -1.6744 -1.6744 0.6506 0.6506 0.6506 0.6506 1.6049 1.6049 1.6049 1.6049 1.8101 1.8101 1.8101 1.8101 2.6891 2.6891 2.6891 2.6891 3.3719 3.3719 3.3719 3.3719 3.5279 3.5279 3.5279 3.5279 4.6077 4.6077 4.6077 4.6077 5.1276 5.1276 5.1276 5.1276 8.3471 8.3471 8.3471 8.3471 9.1602 9.1602 9.1602 9.1602 10.2900 10.2900 k =-0.3784 0.3143 0.4085 ( 17302 PWs) bands (ev): -14.3918 -14.3918 -14.3918 -14.3918 -6.7221 -6.7221 -6.7221 -6.7221 -3.2792 -3.2792 -3.2792 -3.2792 -2.0220 -2.0220 -2.0220 -2.0220 -1.6762 -1.6762 -1.6762 -1.6762 0.6538 0.6538 0.6538 0.6538 1.6078 1.6078 1.6078 1.6078 1.8115 1.8115 1.8115 1.8115 2.6912 2.6912 2.6912 2.6912 3.3824 3.3824 3.3824 3.3824 3.5298 3.5298 3.5298 3.5298 4.6031 4.6031 4.6031 4.6031 5.1217 5.1217 5.1217 5.1217 8.3006 8.3006 8.3006 8.3006 9.1898 9.1898 9.1898 9.1898 10.2857 10.2857 k =-0.3919 0.3256 0.4085 ( 17304 PWs) bands (ev): -14.3916 -14.3916 -14.3916 -14.3916 -6.7217 -6.7217 -6.7217 -6.7217 -3.2816 -3.2816 -3.2816 -3.2816 -2.0263 -2.0263 -2.0263 -2.0263 -1.6779 -1.6779 -1.6779 -1.6779 0.6568 0.6568 0.6568 0.6568 1.6107 1.6107 1.6107 1.6107 1.8129 1.8129 1.8129 1.8129 2.6931 2.6931 2.6931 2.6931 3.3930 3.3930 3.3930 3.3930 3.5315 3.5315 3.5315 3.5315 4.5981 4.5981 4.5981 4.5981 5.1164 5.1164 5.1164 5.1164 8.2596 8.2596 8.2596 8.2596 9.2162 9.2162 9.2162 9.2162 10.2678 10.2678 k =-0.4054 0.3368 0.4085 ( 17300 PWs) bands (ev): -14.3914 -14.3914 -14.3914 -14.3914 -6.7212 -6.7212 -6.7212 -6.7212 -3.2838 -3.2838 -3.2838 -3.2838 -2.0303 -2.0303 -2.0303 -2.0303 -1.6794 -1.6794 -1.6794 -1.6794 0.6596 0.6596 0.6596 0.6596 1.6135 1.6135 1.6135 1.6135 1.8141 1.8141 1.8141 1.8141 2.6950 2.6950 2.6950 2.6950 3.4033 3.4033 3.4033 3.4033 3.5329 3.5329 3.5329 3.5329 4.5928 4.5928 4.5928 4.5928 5.1116 5.1116 5.1116 5.1116 8.2241 8.2241 8.2241 8.2241 9.2394 9.2394 9.2394 9.2394 10.2408 10.2408 k =-0.4189 0.3480 0.4085 ( 17312 PWs) bands (ev): -14.3913 -14.3913 -14.3913 -14.3913 -6.7208 -6.7208 -6.7208 -6.7208 -3.2859 -3.2859 -3.2859 -3.2859 -2.0338 -2.0338 -2.0338 -2.0338 -1.6809 -1.6809 -1.6809 -1.6809 0.6622 0.6622 0.6622 0.6622 1.6161 1.6161 1.6161 1.6161 1.8151 1.8151 1.8151 1.8151 2.6966 2.6966 2.6966 2.6966 3.4132 3.4132 3.4132 3.4132 3.5340 3.5340 3.5340 3.5340 4.5874 4.5874 4.5874 4.5874 5.1074 5.1074 5.1074 5.1074 8.1940 8.1940 8.1940 8.1940 9.2593 9.2593 9.2593 9.2593 10.2092 10.2092 k =-0.4324 0.3592 0.4085 ( 17288 PWs) bands (ev): -14.3911 -14.3911 -14.3911 -14.3911 -6.7204 -6.7204 -6.7204 -6.7204 -3.2876 -3.2876 -3.2876 -3.2876 -2.0368 -2.0368 -2.0368 -2.0368 -1.6822 -1.6822 -1.6822 -1.6822 0.6645 0.6645 0.6645 0.6645 1.6185 1.6185 1.6185 1.6185 1.8160 1.8160 1.8160 1.8160 2.6981 2.6981 2.6981 2.6981 3.4223 3.4223 3.4223 3.4223 3.5349 3.5349 3.5349 3.5349 4.5822 4.5822 4.5822 4.5822 5.1038 5.1038 5.1038 5.1038 8.1692 8.1692 8.1692 8.1692 9.2759 9.2759 9.2759 9.2759 10.1769 10.1769 k =-0.4459 0.3705 0.4085 ( 17290 PWs) bands (ev): -14.3910 -14.3910 -14.3910 -14.3910 -6.7201 -6.7201 -6.7201 -6.7201 -3.2891 -3.2891 -3.2891 -3.2891 -2.0394 -2.0394 -2.0394 -2.0394 -1.6832 -1.6832 -1.6832 -1.6832 0.6665 0.6665 0.6665 0.6665 1.6206 1.6206 1.6206 1.6206 1.8168 1.8168 1.8168 1.8168 2.6994 2.6994 2.6994 2.6994 3.4303 3.4303 3.4303 3.4303 3.5355 3.5355 3.5355 3.5355 4.5774 4.5774 4.5774 4.5774 5.1009 5.1009 5.1009 5.1009 8.1493 8.1493 8.1493 8.1493 9.2892 9.2892 9.2892 9.2892 10.1471 10.1471 k =-0.4595 0.3817 0.4085 ( 17288 PWs) bands (ev): -14.3909 -14.3909 -14.3909 -14.3909 -6.7198 -6.7198 -6.7198 -6.7198 -3.2903 -3.2903 -3.2903 -3.2903 -2.0414 -2.0414 -2.0414 -2.0414 -1.6841 -1.6841 -1.6841 -1.6841 0.6680 0.6680 0.6680 0.6680 1.6222 1.6222 1.6222 1.6222 1.8174 1.8174 1.8174 1.8174 2.7004 2.7004 2.7004 2.7004 3.4370 3.4370 3.4370 3.4370 3.5359 3.5359 3.5359 3.5359 4.5734 4.5734 4.5734 4.5734 5.0985 5.0985 5.0985 5.0985 8.1342 8.1342 8.1342 8.1342 9.2994 9.2994 9.2994 9.2994 10.1218 10.1218 k =-0.4730 0.3929 0.4085 ( 17298 PWs) bands (ev): -14.3909 -14.3909 -14.3909 -14.3909 -6.7196 -6.7196 -6.7196 -6.7196 -3.2912 -3.2912 -3.2912 -3.2912 -2.0429 -2.0429 -2.0429 -2.0429 -1.6847 -1.6847 -1.6847 -1.6847 0.6691 0.6691 0.6691 0.6691 1.6235 1.6235 1.6235 1.6235 1.8178 1.8178 1.8178 1.8178 2.7011 2.7011 2.7011 2.7011 3.4420 3.4420 3.4420 3.4420 3.5361 3.5361 3.5361 3.5361 4.5703 4.5703 4.5703 4.5703 5.0969 5.0969 5.0969 5.0969 8.1236 8.1236 8.1236 8.1236 9.3066 9.3066 9.3066 9.3066 10.1028 10.1028 k =-0.4865 0.4041 0.4085 ( 17298 PWs) bands (ev): -14.3908 -14.3908 -14.3908 -14.3908 -6.7195 -6.7195 -6.7195 -6.7195 -3.2917 -3.2917 -3.2917 -3.2917 -2.0438 -2.0438 -2.0438 -2.0438 -1.6851 -1.6851 -1.6851 -1.6851 0.6698 0.6698 0.6698 0.6698 1.6242 1.6242 1.6242 1.6242 1.8181 1.8181 1.8181 1.8181 2.7016 2.7016 2.7016 2.7016 3.4451 3.4451 3.4451 3.4451 3.5362 3.5362 3.5362 3.5362 4.5684 4.5684 4.5684 4.5684 5.0959 5.0959 5.0959 5.0959 8.1173 8.1173 8.1173 8.1173 9.3108 9.3108 9.3108 9.3108 10.0910 10.0910 k =-0.5000 0.4154 0.4085 ( 17296 PWs) bands (ev): -14.3908 -14.3908 -14.3908 -14.3908 -6.7195 -6.7195 -6.7195 -6.7195 -3.2919 -3.2919 -3.2919 -3.2919 -2.0441 -2.0441 -2.0441 -2.0441 -1.6852 -1.6852 -1.6852 -1.6852 0.6700 0.6700 0.6700 0.6700 1.6245 1.6245 1.6245 1.6245 1.8182 1.8182 1.8182 1.8182 2.7018 2.7018 2.7018 2.7018 3.4462 3.4462 3.4462 3.4462 3.5363 3.5363 3.5363 3.5363 4.5677 4.5677 4.5677 4.5677 5.0956 5.0956 5.0956 5.0956 8.1153 8.1153 8.1153 8.1153 9.3122 9.3122 9.3122 9.3122 10.0870 10.0870 Writing output data file CsAuSe.save init_run : 0.68s CPU 0.80s WALL ( 1 calls) electrons : 594.72s CPU 600.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 594.71s CPU 600.31s 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 : 0.23s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.20s WALL ( 316 calls) cegterg : 552.27s CPU 556.81s WALL ( 601 calls) Called by sum_band: Called by *egterg: h_psi : 392.55s CPU 397.01s WALL ( 8585 calls) s_psi : 12.12s CPU 12.03s WALL ( 8585 calls) g_psi : 0.81s CPU 0.76s WALL ( 7668 calls) cdiaghg : 114.45s CPU 114.75s WALL ( 7984 calls) cegterg:over : 25.03s CPU 25.19s WALL ( 7668 calls) cegterg:upda : 19.92s CPU 20.04s WALL ( 7668 calls) cegterg:last : 13.02s CPU 13.04s WALL ( 1549 calls) cdiaghg:chol : 5.06s CPU 5.06s WALL ( 7984 calls) cdiaghg:inve : 2.85s CPU 3.04s WALL ( 7984 calls) cdiaghg:para : 6.68s CPU 6.62s WALL ( 15968 calls) Called by h_psi: h_psi:vloc : 349.52s CPU 353.80s WALL ( 8585 calls) h_psi:vnl : 42.16s CPU 42.44s WALL ( 8585 calls) add_vuspsi : 23.93s CPU 24.06s WALL ( 8585 calls) General routines calbec : 18.18s CPU 18.35s WALL ( 8585 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 334.08s CPU 338.12s WALL ( 1214212 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 0.46s WALL ( 632 calls) Parallel routines fft_scatter : 166.99s CPU 169.25s WALL ( 1214235 calls) PWSCF : 10m55.32s CPU 11m22.75s WALL This run was terminated on: 20:18:58 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=