Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 5:43 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./InCl.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 38 11 1298 960 153 Max 47 39 12 1301 973 156 Sum 1669 1371 411 46803 34837 5547 bravais-lattice index = 14 lattice parameter (alat) = 12.3114 a.u. unit-cell volume = 826.8526 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.311422 celldm(2)= 1.000000 celldm(3)= 0.719732 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.788021 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.788021 0.615648 0.000000 ) a(3) = ( 0.000000 0.000000 0.719732 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.279986 -0.000000 ) b(2) = ( 0.000000 1.624304 -0.000000 ) b(3) = ( 0.000000 0.000000 1.389406 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066581 0.0193370 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0133161 0.0386739 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0199742 0.0580109 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0266323 0.0773478 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0332903 0.0966848 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0399484 0.1160217 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0466065 0.1353587 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0532645 0.1546956 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0599226 0.1740326 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0665807 0.1933696 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0732387 0.2127065 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0798968 0.2320435 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0865549 0.2513804 -0.0000000), wk = 0.0026455 k( 15) = ( 0.0932129 0.2707174 -0.0000000), wk = 0.0026455 k( 16) = ( 0.0998710 0.2900543 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1065291 0.3093913 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1131871 0.3287282 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1198452 0.3480652 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1265033 0.3674022 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1331613 0.3867391 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1398194 0.4060761 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1464774 0.4254130 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1531355 0.4447500 -0.0000000), wk = 0.0026455 k( 25) = ( 0.1597936 0.4640869 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1664516 0.4834239 -0.0000000), wk = 0.0026455 k( 27) = ( 0.1731097 0.5027608 -0.0000000), wk = 0.0026455 k( 28) = ( 0.1797678 0.5220978 -0.0000000), wk = 0.0026455 k( 29) = ( 0.1864258 0.5414348 -0.0000000), wk = 0.0026455 k( 30) = ( 0.1930839 0.5607717 -0.0000000), wk = 0.0026455 k( 31) = ( 0.1997420 0.5801087 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2064000 0.5994456 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2130581 0.6187826 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2197162 0.6381195 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2263742 0.6574565 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2330323 0.6767934 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2396904 0.6961304 -0.0000000), wk = 0.0026455 k( 38) = ( 0.2463484 0.7154674 -0.0000000), wk = 0.0026455 k( 39) = ( 0.2530065 0.7348043 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2596646 0.7541413 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2663226 0.7734782 -0.0000000), wk = 0.0026455 k( 42) = ( 0.2729807 0.7928152 -0.0000000), wk = 0.0026455 k( 43) = ( 0.2796387 0.8121521 -0.0000000), wk = 0.0026455 k( 44) = ( 0.2796387 0.8121521 -0.0000000), wk = 0.0026455 k( 45) = ( 0.2596646 0.8121522 -0.0000000), wk = 0.0026455 k( 46) = ( 0.2396904 0.8121522 -0.0000000), wk = 0.0026455 k( 47) = ( 0.2197162 0.8121521 -0.0000000), wk = 0.0026455 k( 48) = ( 0.1997420 0.8121522 -0.0000000), wk = 0.0026455 k( 49) = ( 0.1797678 0.8121522 -0.0000000), wk = 0.0026455 k( 50) = ( 0.1597936 0.8121522 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1398194 0.8121522 -0.0000000), wk = 0.0026455 k( 52) = ( 0.1198452 0.8121522 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0998710 0.8121521 -0.0000000), wk = 0.0026455 k( 54) = ( 0.0798968 0.8121522 -0.0000000), wk = 0.0026455 k( 55) = ( 0.0599226 0.8121521 -0.0000000), wk = 0.0026455 k( 56) = ( 0.0399484 0.8121521 -0.0000000), wk = 0.0026455 k( 57) = ( 0.0199742 0.8121522 -0.0000000), wk = 0.0026455 k( 58) = ( 0.0000000 0.8121522 -0.0000000), wk = 0.0026455 k( 59) = ( 0.0000000 0.8121522 -0.0000000), wk = 0.0026455 k( 60) = ( 0.0000000 0.8121522 0.0204324), wk = 0.0026455 k( 61) = ( 0.0000000 0.8121522 0.0408649), wk = 0.0026455 k( 62) = ( 0.0000000 0.8121522 0.0612973), wk = 0.0026455 k( 63) = ( 0.0000000 0.8121522 0.0817298), wk = 0.0026455 k( 64) = ( 0.0000000 0.8121522 0.1021622), wk = 0.0026455 k( 65) = ( 0.0000000 0.8121522 0.1225946), wk = 0.0026455 k( 66) = ( 0.0000000 0.8121522 0.1430271), wk = 0.0026455 k( 67) = ( 0.0000000 0.8121522 0.1634595), wk = 0.0026455 k( 68) = ( 0.0000000 0.8121522 0.1838920), wk = 0.0026455 k( 69) = ( 0.0000000 0.8121522 0.2043244), wk = 0.0026455 k( 70) = ( 0.0000000 0.8121522 0.2247568), wk = 0.0026455 k( 71) = ( 0.0000000 0.8121522 0.2451893), wk = 0.0026455 k( 72) = ( 0.0000000 0.8121522 0.2656217), wk = 0.0026455 k( 73) = ( 0.0000000 0.8121522 0.2860542), wk = 0.0026455 k( 74) = ( 0.0000000 0.8121522 0.3064866), wk = 0.0026455 k( 75) = ( 0.0000000 0.8121522 0.3269190), wk = 0.0026455 k( 76) = ( 0.0000000 0.8121522 0.3473515), wk = 0.0026455 k( 77) = ( 0.0000000 0.8121522 0.3677839), wk = 0.0026455 k( 78) = ( 0.0000000 0.8121522 0.3882164), wk = 0.0026455 k( 79) = ( 0.0000000 0.8121522 0.4086488), wk = 0.0026455 k( 80) = ( 0.0000000 0.8121522 0.4290812), wk = 0.0026455 k( 81) = ( 0.0000000 0.8121522 0.4495137), wk = 0.0026455 k( 82) = ( 0.0000000 0.8121522 0.4699461), wk = 0.0026455 k( 83) = ( 0.0000000 0.8121522 0.4903786), wk = 0.0026455 k( 84) = ( 0.0000000 0.8121522 0.5108110), wk = 0.0026455 k( 85) = ( 0.0000000 0.8121522 0.5312434), wk = 0.0026455 k( 86) = ( 0.0000000 0.8121522 0.5516759), wk = 0.0026455 k( 87) = ( 0.0000000 0.8121522 0.5721083), wk = 0.0026455 k( 88) = ( 0.0000000 0.8121522 0.5925408), wk = 0.0026455 k( 89) = ( 0.0000000 0.8121522 0.6129732), wk = 0.0026455 k( 90) = ( 0.0000000 0.8121522 0.6334056), wk = 0.0026455 k( 91) = ( 0.0000000 0.8121522 0.6538381), wk = 0.0026455 k( 92) = ( 0.0000000 0.8121522 0.6742705), wk = 0.0026455 k( 93) = ( 0.0000000 0.8121522 0.6947030), wk = 0.0026455 k( 94) = ( 0.0000000 0.8121522 0.6947030), wk = 0.0026455 k( 95) = ( 0.0199742 0.8121522 0.6947030), wk = 0.0026455 k( 96) = ( 0.0399484 0.8121521 0.6947030), wk = 0.0026455 k( 97) = ( 0.0599226 0.8121521 0.6947030), wk = 0.0026455 k( 98) = ( 0.0798968 0.8121522 0.6947030), wk = 0.0026455 k( 99) = ( 0.0998710 0.8121521 0.6947030), wk = 0.0026455 k( 100) = ( 0.1198452 0.8121522 0.6947030), wk = 0.0026455 k( 101) = ( 0.1398194 0.8121522 0.6947030), wk = 0.0026455 k( 102) = ( 0.1597936 0.8121522 0.6947030), wk = 0.0026455 k( 103) = ( 0.1797678 0.8121522 0.6947030), wk = 0.0026455 k( 104) = ( 0.1997420 0.8121522 0.6947030), wk = 0.0026455 k( 105) = ( 0.2197162 0.8121521 0.6947030), wk = 0.0026455 k( 106) = ( 0.2396904 0.8121522 0.6947030), wk = 0.0026455 k( 107) = ( 0.2596646 0.8121522 0.6947030), wk = 0.0026455 k( 108) = ( 0.2796387 0.8121521 0.6947030), wk = 0.0026455 k( 109) = ( 0.2796387 0.8121521 0.6947030), wk = 0.0026455 k( 110) = ( 0.2729807 0.7928152 0.6947030), wk = 0.0026455 k( 111) = ( 0.2663226 0.7734782 0.6947030), wk = 0.0026455 k( 112) = ( 0.2596646 0.7541413 0.6947030), wk = 0.0026455 k( 113) = ( 0.2530065 0.7348043 0.6947030), wk = 0.0026455 k( 114) = ( 0.2463484 0.7154674 0.6947030), wk = 0.0026455 k( 115) = ( 0.2396904 0.6961304 0.6947030), wk = 0.0026455 k( 116) = ( 0.2330323 0.6767934 0.6947030), wk = 0.0026455 k( 117) = ( 0.2263742 0.6574565 0.6947030), wk = 0.0026455 k( 118) = ( 0.2197162 0.6381195 0.6947030), wk = 0.0026455 k( 119) = ( 0.2130581 0.6187826 0.6947030), wk = 0.0026455 k( 120) = ( 0.2064000 0.5994456 0.6947030), wk = 0.0026455 k( 121) = ( 0.1997420 0.5801087 0.6947030), wk = 0.0026455 k( 122) = ( 0.1930839 0.5607717 0.6947030), wk = 0.0026455 k( 123) = ( 0.1864258 0.5414348 0.6947030), wk = 0.0026455 k( 124) = ( 0.1797678 0.5220978 0.6947030), wk = 0.0026455 k( 125) = ( 0.1731097 0.5027608 0.6947030), wk = 0.0026455 k( 126) = ( 0.1664516 0.4834239 0.6947030), wk = 0.0026455 k( 127) = ( 0.1597936 0.4640869 0.6947030), wk = 0.0026455 k( 128) = ( 0.1531355 0.4447500 0.6947030), wk = 0.0026455 k( 129) = ( 0.1464774 0.4254130 0.6947030), wk = 0.0026455 k( 130) = ( 0.1398194 0.4060761 0.6947030), wk = 0.0026455 k( 131) = ( 0.1331613 0.3867391 0.6947030), wk = 0.0026455 k( 132) = ( 0.1265033 0.3674022 0.6947030), wk = 0.0026455 k( 133) = ( 0.1198452 0.3480652 0.6947030), wk = 0.0026455 k( 134) = ( 0.1131871 0.3287282 0.6947030), wk = 0.0026455 k( 135) = ( 0.1065291 0.3093913 0.6947030), wk = 0.0026455 k( 136) = ( 0.0998710 0.2900543 0.6947030), wk = 0.0026455 k( 137) = ( 0.0932129 0.2707174 0.6947030), wk = 0.0026455 k( 138) = ( 0.0865549 0.2513804 0.6947030), wk = 0.0026455 k( 139) = ( 0.0798968 0.2320435 0.6947030), wk = 0.0026455 k( 140) = ( 0.0732387 0.2127065 0.6947030), wk = 0.0026455 k( 141) = ( 0.0665807 0.1933696 0.6947030), wk = 0.0026455 k( 142) = ( 0.0599226 0.1740326 0.6947030), wk = 0.0026455 k( 143) = ( 0.0532645 0.1546956 0.6947030), wk = 0.0026455 k( 144) = ( 0.0466065 0.1353587 0.6947030), wk = 0.0026455 k( 145) = ( 0.0399484 0.1160217 0.6947030), wk = 0.0026455 k( 146) = ( 0.0332903 0.0966848 0.6947030), wk = 0.0026455 k( 147) = ( 0.0266323 0.0773478 0.6947030), wk = 0.0026455 k( 148) = ( 0.0199742 0.0580109 0.6947030), wk = 0.0026455 k( 149) = ( 0.0133161 0.0386739 0.6947030), wk = 0.0026455 k( 150) = ( 0.0066581 0.0193370 0.6947030), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.6947030), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.6947030), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.6742705), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.6538381), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.6334056), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.6129732), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.5925408), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.5721083), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.5516759), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.5312434), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.5108110), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.4903786), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.4699461), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.4495137), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.4290812), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.4086488), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.3882164), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.3677839), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.3473515), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.3269190), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.3064866), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2860542), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2656217), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.2451893), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.2247568), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.2043244), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1838920), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1634595), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1430271), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1225946), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1021622), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0817298), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0612973), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0408649), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0204324), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 188) = ( -0.0192308 0.0066215 0.0000000), wk = 0.0026455 k( 189) = ( -0.0384615 0.0132430 0.0000000), wk = 0.0026455 k( 190) = ( -0.0576923 0.0198645 0.0000000), wk = 0.0026455 k( 191) = ( -0.0769231 0.0264860 0.0000000), wk = 0.0026455 k( 192) = ( -0.0961538 0.0331075 0.0000000), wk = 0.0026455 k( 193) = ( -0.1153846 0.0397290 0.0000000), wk = 0.0026455 k( 194) = ( -0.1346154 0.0463505 0.0000000), wk = 0.0026455 k( 195) = ( -0.1538461 0.0529720 0.0000000), wk = 0.0026455 k( 196) = ( -0.1730769 0.0595935 0.0000000), wk = 0.0026455 k( 197) = ( -0.1923077 0.0662150 0.0000000), wk = 0.0026455 k( 198) = ( -0.2115385 0.0728365 0.0000000), wk = 0.0026455 k( 199) = ( -0.2307692 0.0794580 0.0000000), wk = 0.0026455 k( 200) = ( -0.2500000 0.0860795 0.0000000), wk = 0.0026455 k( 201) = ( -0.2692308 0.0927010 0.0000000), wk = 0.0026455 k( 202) = ( -0.2884615 0.0993226 0.0000000), wk = 0.0026455 k( 203) = ( -0.3076923 0.1059441 0.0000000), wk = 0.0026455 k( 204) = ( -0.3269231 0.1125656 0.0000000), wk = 0.0026455 k( 205) = ( -0.3461538 0.1191871 0.0000000), wk = 0.0026455 k( 206) = ( -0.3653846 0.1258086 0.0000000), wk = 0.0026455 k( 207) = ( -0.3846154 0.1324301 0.0000000), wk = 0.0026455 k( 208) = ( -0.4038462 0.1390516 0.0000000), wk = 0.0026455 k( 209) = ( -0.4230769 0.1456731 0.0000000), wk = 0.0026455 k( 210) = ( -0.4423077 0.1522946 0.0000000), wk = 0.0026455 k( 211) = ( -0.4615385 0.1589161 0.0000000), wk = 0.0026455 k( 212) = ( -0.4807692 0.1655376 0.0000000), wk = 0.0026455 k( 213) = ( -0.5000000 0.1721591 0.0000000), wk = 0.0026455 k( 214) = ( -0.5000000 0.1721591 0.0000000), wk = 0.0026455 k( 215) = ( -0.4933224 0.1915528 -0.0000000), wk = 0.0026455 k( 216) = ( -0.4866448 0.2109466 -0.0000000), wk = 0.0026455 k( 217) = ( -0.4799672 0.2303403 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4732896 0.2497340 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4666119 0.2691277 -0.0000000), wk = 0.0026455 k( 220) = ( -0.4599343 0.2885215 -0.0000000), wk = 0.0026455 k( 221) = ( -0.4532567 0.3079152 -0.0000000), wk = 0.0026455 k( 222) = ( -0.4465791 0.3273089 -0.0000000), wk = 0.0026455 k( 223) = ( -0.4399015 0.3467026 -0.0000000), wk = 0.0026455 k( 224) = ( -0.4332239 0.3660964 -0.0000000), wk = 0.0026455 k( 225) = ( -0.4265463 0.3854901 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4198686 0.4048838 -0.0000000), wk = 0.0026455 k( 227) = ( -0.4131910 0.4242776 -0.0000000), wk = 0.0026455 k( 228) = ( -0.4065134 0.4436713 -0.0000000), wk = 0.0026455 k( 229) = ( -0.3998358 0.4630650 -0.0000000), wk = 0.0026455 k( 230) = ( -0.3931582 0.4824588 -0.0000000), wk = 0.0026455 k( 231) = ( -0.3864806 0.5018525 -0.0000000), wk = 0.0026455 k( 232) = ( -0.3798030 0.5212462 -0.0000000), wk = 0.0026455 k( 233) = ( -0.3731253 0.5406400 -0.0000000), wk = 0.0026455 k( 234) = ( -0.3664477 0.5600337 -0.0000000), wk = 0.0026455 k( 235) = ( -0.3597701 0.5794274 -0.0000000), wk = 0.0026455 k( 236) = ( -0.3530925 0.5988211 -0.0000000), wk = 0.0026455 k( 237) = ( -0.3464149 0.6182149 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3397373 0.6376086 -0.0000000), wk = 0.0026455 k( 239) = ( -0.3330597 0.6570023 -0.0000000), wk = 0.0026455 k( 240) = ( -0.3263820 0.6763960 -0.0000000), wk = 0.0026455 k( 241) = ( -0.3197044 0.6957898 -0.0000000), wk = 0.0026455 k( 242) = ( -0.3130268 0.7151835 -0.0000000), wk = 0.0026455 k( 243) = ( -0.3063492 0.7345772 -0.0000000), wk = 0.0026455 k( 244) = ( -0.2996716 0.7539710 -0.0000000), wk = 0.0026455 k( 245) = ( -0.2929940 0.7733647 -0.0000000), wk = 0.0026455 k( 246) = ( -0.2863164 0.7927584 -0.0000000), wk = 0.0026455 k( 247) = ( -0.2796387 0.8121522 -0.0000000), wk = 0.0026455 k( 248) = ( -0.2796387 0.8121522 -0.0000000), wk = 0.0026455 k( 249) = ( -0.2796387 0.8121522 0.0204324), wk = 0.0026455 k( 250) = ( -0.2796387 0.8121522 0.0408649), wk = 0.0026455 k( 251) = ( -0.2796387 0.8121522 0.0612973), wk = 0.0026455 k( 252) = ( -0.2796387 0.8121522 0.0817298), wk = 0.0026455 k( 253) = ( -0.2796387 0.8121522 0.1021622), wk = 0.0026455 k( 254) = ( -0.2796387 0.8121522 0.1225946), wk = 0.0026455 k( 255) = ( -0.2796387 0.8121522 0.1430271), wk = 0.0026455 k( 256) = ( -0.2796387 0.8121522 0.1634595), wk = 0.0026455 k( 257) = ( -0.2796387 0.8121522 0.1838920), wk = 0.0026455 k( 258) = ( -0.2796387 0.8121522 0.2043244), wk = 0.0026455 k( 259) = ( -0.2796387 0.8121522 0.2247568), wk = 0.0026455 k( 260) = ( -0.2796387 0.8121522 0.2451893), wk = 0.0026455 k( 261) = ( -0.2796387 0.8121522 0.2656217), wk = 0.0026455 k( 262) = ( -0.2796387 0.8121522 0.2860542), wk = 0.0026455 k( 263) = ( -0.2796387 0.8121522 0.3064866), wk = 0.0026455 k( 264) = ( -0.2796387 0.8121522 0.3269190), wk = 0.0026455 k( 265) = ( -0.2796387 0.8121522 0.3473515), wk = 0.0026455 k( 266) = ( -0.2796387 0.8121522 0.3677839), wk = 0.0026455 k( 267) = ( -0.2796387 0.8121522 0.3882164), wk = 0.0026455 k( 268) = ( -0.2796387 0.8121522 0.4086488), wk = 0.0026455 k( 269) = ( -0.2796387 0.8121522 0.4290812), wk = 0.0026455 k( 270) = ( -0.2796387 0.8121522 0.4495137), wk = 0.0026455 k( 271) = ( -0.2796387 0.8121522 0.4699461), wk = 0.0026455 k( 272) = ( -0.2796387 0.8121522 0.4903786), wk = 0.0026455 k( 273) = ( -0.2796387 0.8121522 0.5108110), wk = 0.0026455 k( 274) = ( -0.2796387 0.8121522 0.5312434), wk = 0.0026455 k( 275) = ( -0.2796387 0.8121522 0.5516759), wk = 0.0026455 k( 276) = ( -0.2796387 0.8121522 0.5721083), wk = 0.0026455 k( 277) = ( -0.2796387 0.8121522 0.5925408), wk = 0.0026455 k( 278) = ( -0.2796387 0.8121522 0.6129732), wk = 0.0026455 k( 279) = ( -0.2796387 0.8121522 0.6334056), wk = 0.0026455 k( 280) = ( -0.2796387 0.8121522 0.6538381), wk = 0.0026455 k( 281) = ( -0.2796387 0.8121522 0.6742705), wk = 0.0026455 k( 282) = ( -0.2796387 0.8121522 0.6947030), wk = 0.0026455 k( 283) = ( -0.2796387 0.8121522 0.6947030), wk = 0.0026455 k( 284) = ( -0.2863164 0.7927584 0.6947030), wk = 0.0026455 k( 285) = ( -0.2929940 0.7733647 0.6947030), wk = 0.0026455 k( 286) = ( -0.2996716 0.7539710 0.6947030), wk = 0.0026455 k( 287) = ( -0.3063492 0.7345772 0.6947030), wk = 0.0026455 k( 288) = ( -0.3130268 0.7151835 0.6947030), wk = 0.0026455 k( 289) = ( -0.3197044 0.6957898 0.6947030), wk = 0.0026455 k( 290) = ( -0.3263820 0.6763960 0.6947030), wk = 0.0026455 k( 291) = ( -0.3330597 0.6570023 0.6947030), wk = 0.0026455 k( 292) = ( -0.3397373 0.6376086 0.6947030), wk = 0.0026455 k( 293) = ( -0.3464149 0.6182149 0.6947030), wk = 0.0026455 k( 294) = ( -0.3530925 0.5988211 0.6947030), wk = 0.0026455 k( 295) = ( -0.3597701 0.5794274 0.6947030), wk = 0.0026455 k( 296) = ( -0.3664477 0.5600337 0.6947030), wk = 0.0026455 k( 297) = ( -0.3731253 0.5406400 0.6947030), wk = 0.0026455 k( 298) = ( -0.3798030 0.5212462 0.6947030), wk = 0.0026455 k( 299) = ( -0.3864806 0.5018525 0.6947030), wk = 0.0026455 k( 300) = ( -0.3931582 0.4824588 0.6947030), wk = 0.0026455 k( 301) = ( -0.3998358 0.4630650 0.6947030), wk = 0.0026455 k( 302) = ( -0.4065134 0.4436713 0.6947030), wk = 0.0026455 k( 303) = ( -0.4131910 0.4242776 0.6947030), wk = 0.0026455 k( 304) = ( -0.4198686 0.4048838 0.6947030), wk = 0.0026455 k( 305) = ( -0.4265463 0.3854901 0.6947030), wk = 0.0026455 k( 306) = ( -0.4332239 0.3660964 0.6947030), wk = 0.0026455 k( 307) = ( -0.4399015 0.3467026 0.6947030), wk = 0.0026455 k( 308) = ( -0.4465791 0.3273089 0.6947030), wk = 0.0026455 k( 309) = ( -0.4532567 0.3079152 0.6947030), wk = 0.0026455 k( 310) = ( -0.4599343 0.2885215 0.6947030), wk = 0.0026455 k( 311) = ( -0.4666119 0.2691277 0.6947030), wk = 0.0026455 k( 312) = ( -0.4732896 0.2497340 0.6947030), wk = 0.0026455 k( 313) = ( -0.4799672 0.2303403 0.6947030), wk = 0.0026455 k( 314) = ( -0.4866448 0.2109466 0.6947030), wk = 0.0026455 k( 315) = ( -0.4933224 0.1915528 0.6947030), wk = 0.0026455 k( 316) = ( -0.5000000 0.1721591 0.6947030), wk = 0.0026455 k( 317) = ( -0.5000000 0.1721591 0.6947030), wk = 0.0026455 k( 318) = ( -0.5000000 0.1721591 0.6742705), wk = 0.0026455 k( 319) = ( -0.5000000 0.1721591 0.6538381), wk = 0.0026455 k( 320) = ( -0.5000000 0.1721591 0.6334056), wk = 0.0026455 k( 321) = ( -0.5000000 0.1721591 0.6129732), wk = 0.0026455 k( 322) = ( -0.5000000 0.1721591 0.5925408), wk = 0.0026455 k( 323) = ( -0.5000000 0.1721591 0.5721083), wk = 0.0026455 k( 324) = ( -0.5000000 0.1721591 0.5516759), wk = 0.0026455 k( 325) = ( -0.5000000 0.1721591 0.5312434), wk = 0.0026455 k( 326) = ( -0.5000000 0.1721591 0.5108110), wk = 0.0026455 k( 327) = ( -0.5000000 0.1721591 0.4903786), wk = 0.0026455 k( 328) = ( -0.5000000 0.1721591 0.4699461), wk = 0.0026455 k( 329) = ( -0.5000000 0.1721591 0.4495137), wk = 0.0026455 k( 330) = ( -0.5000000 0.1721591 0.4290812), wk = 0.0026455 k( 331) = ( -0.5000000 0.1721591 0.4086488), wk = 0.0026455 k( 332) = ( -0.5000000 0.1721591 0.3882164), wk = 0.0026455 k( 333) = ( -0.5000000 0.1721591 0.3677839), wk = 0.0026455 k( 334) = ( -0.5000000 0.1721591 0.3473515), wk = 0.0026455 k( 335) = ( -0.5000000 0.1721591 0.3269190), wk = 0.0026455 k( 336) = ( -0.5000000 0.1721591 0.3064866), wk = 0.0026455 k( 337) = ( -0.5000000 0.1721591 0.2860542), wk = 0.0026455 k( 338) = ( -0.5000000 0.1721591 0.2656217), wk = 0.0026455 k( 339) = ( -0.5000000 0.1721591 0.2451893), wk = 0.0026455 k( 340) = ( -0.5000000 0.1721591 0.2247568), wk = 0.0026455 k( 341) = ( -0.5000000 0.1721591 0.2043244), wk = 0.0026455 k( 342) = ( -0.5000000 0.1721591 0.1838920), wk = 0.0026455 k( 343) = ( -0.5000000 0.1721591 0.1634595), wk = 0.0026455 k( 344) = ( -0.5000000 0.1721591 0.1430271), wk = 0.0026455 k( 345) = ( -0.5000000 0.1721591 0.1225946), wk = 0.0026455 k( 346) = ( -0.5000000 0.1721591 0.1021622), wk = 0.0026455 k( 347) = ( -0.5000000 0.1721591 0.0817298), wk = 0.0026455 k( 348) = ( -0.5000000 0.1721591 0.0612973), wk = 0.0026455 k( 349) = ( -0.5000000 0.1721591 0.0408649), wk = 0.0026455 k( 350) = ( -0.5000000 0.1721591 0.0204324), wk = 0.0026455 k( 351) = ( -0.5000000 0.1721591 0.0000000), wk = 0.0026455 k( 352) = ( 0.0000000 0.0000000 0.6947030), wk = 0.0026455 k( 353) = ( -0.0192308 0.0066215 0.6947030), wk = 0.0026455 k( 354) = ( -0.0384615 0.0132430 0.6947030), wk = 0.0026455 k( 355) = ( -0.0576923 0.0198645 0.6947030), wk = 0.0026455 k( 356) = ( -0.0769231 0.0264860 0.6947030), wk = 0.0026455 k( 357) = ( -0.0961538 0.0331075 0.6947030), wk = 0.0026455 k( 358) = ( -0.1153846 0.0397290 0.6947030), wk = 0.0026455 k( 359) = ( -0.1346154 0.0463505 0.6947030), wk = 0.0026455 k( 360) = ( -0.1538461 0.0529720 0.6947030), wk = 0.0026455 k( 361) = ( -0.1730769 0.0595935 0.6947030), wk = 0.0026455 k( 362) = ( -0.1923077 0.0662150 0.6947030), wk = 0.0026455 k( 363) = ( -0.2115385 0.0728365 0.6947030), wk = 0.0026455 k( 364) = ( -0.2307692 0.0794580 0.6947030), wk = 0.0026455 k( 365) = ( -0.2500000 0.0860795 0.6947030), wk = 0.0026455 k( 366) = ( -0.2692308 0.0927010 0.6947030), wk = 0.0026455 k( 367) = ( -0.2884615 0.0993226 0.6947030), wk = 0.0026455 k( 368) = ( -0.3076923 0.1059441 0.6947030), wk = 0.0026455 k( 369) = ( -0.3269231 0.1125656 0.6947030), wk = 0.0026455 k( 370) = ( -0.3461538 0.1191871 0.6947030), wk = 0.0026455 k( 371) = ( -0.3653846 0.1258086 0.6947030), wk = 0.0026455 k( 372) = ( -0.3846154 0.1324301 0.6947030), wk = 0.0026455 k( 373) = ( -0.4038462 0.1390516 0.6947030), wk = 0.0026455 k( 374) = ( -0.4230769 0.1456731 0.6947030), wk = 0.0026455 k( 375) = ( -0.4423077 0.1522946 0.6947030), wk = 0.0026455 k( 376) = ( -0.4615385 0.1589161 0.6947030), wk = 0.0026455 k( 377) = ( -0.4807692 0.1655376 0.6947030), wk = 0.0026455 k( 378) = ( -0.5000000 0.1721591 0.6947030), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0066581 0.0066581 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0133161 0.0133161 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0199742 0.0199742 0.0000000), wk = 0.0026455 k( 5) = ( 0.0266323 0.0266323 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0332903 0.0332903 0.0000000), wk = 0.0026455 k( 7) = ( 0.0399484 0.0399484 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0466065 0.0466065 0.0000000), wk = 0.0026455 k( 9) = ( 0.0532645 0.0532645 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0599226 0.0599226 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0665807 0.0665807 0.0000000), wk = 0.0026455 k( 12) = ( 0.0732387 0.0732387 -0.0000000), wk = 0.0026455 k( 13) = ( 0.0798968 0.0798968 -0.0000000), wk = 0.0026455 k( 14) = ( 0.0865549 0.0865549 0.0000000), wk = 0.0026455 k( 15) = ( 0.0932129 0.0932129 0.0000000), wk = 0.0026455 k( 16) = ( 0.0998710 0.0998710 0.0000000), wk = 0.0026455 k( 17) = ( 0.1065291 0.1065291 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1131871 0.1131871 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1198452 0.1198452 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1265033 0.1265033 0.0000000), wk = 0.0026455 k( 21) = ( 0.1331613 0.1331613 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1398194 0.1398194 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1464774 0.1464774 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1531355 0.1531355 0.0000000), wk = 0.0026455 k( 25) = ( 0.1597936 0.1597936 -0.0000000), wk = 0.0026455 k( 26) = ( 0.1664516 0.1664516 0.0000000), wk = 0.0026455 k( 27) = ( 0.1731097 0.1731097 0.0000000), wk = 0.0026455 k( 28) = ( 0.1797678 0.1797678 -0.0000000), wk = 0.0026455 k( 29) = ( 0.1864258 0.1864258 0.0000000), wk = 0.0026455 k( 30) = ( 0.1930839 0.1930839 0.0000000), wk = 0.0026455 k( 31) = ( 0.1997420 0.1997420 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2064000 0.2064000 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2130581 0.2130581 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2197162 0.2197162 0.0000000), wk = 0.0026455 k( 35) = ( 0.2263742 0.2263742 -0.0000000), wk = 0.0026455 k( 36) = ( 0.2330323 0.2330323 -0.0000000), wk = 0.0026455 k( 37) = ( 0.2396904 0.2396904 -0.0000000), wk = 0.0026455 k( 38) = ( 0.2463484 0.2463484 0.0000000), wk = 0.0026455 k( 39) = ( 0.2530065 0.2530065 -0.0000000), wk = 0.0026455 k( 40) = ( 0.2596646 0.2596646 -0.0000000), wk = 0.0026455 k( 41) = ( 0.2663226 0.2663226 -0.0000000), wk = 0.0026455 k( 42) = ( 0.2729807 0.2729807 0.0000000), wk = 0.0026455 k( 43) = ( 0.2796387 0.2796388 0.0000000), wk = 0.0026455 k( 44) = ( 0.2796387 0.2796388 0.0000000), wk = 0.0026455 k( 45) = ( 0.2596646 0.2953788 0.0000000), wk = 0.0026455 k( 46) = ( 0.2396904 0.3111189 0.0000000), wk = 0.0026455 k( 47) = ( 0.2197162 0.3268590 -0.0000000), wk = 0.0026455 k( 48) = ( 0.1997420 0.3425991 -0.0000000), wk = 0.0026455 k( 49) = ( 0.1797678 0.3583392 -0.0000000), wk = 0.0026455 k( 50) = ( 0.1597936 0.3740793 -0.0000000), wk = 0.0026455 k( 51) = ( 0.1398194 0.3898194 0.0000000), wk = 0.0026455 k( 52) = ( 0.1198452 0.4055595 -0.0000000), wk = 0.0026455 k( 53) = ( 0.0998710 0.4212996 -0.0000000), wk = 0.0026455 k( 54) = ( 0.0798968 0.4370396 -0.0000000), wk = 0.0026455 k( 55) = ( 0.0599226 0.4527797 -0.0000000), wk = 0.0026455 k( 56) = ( 0.0399484 0.4685198 -0.0000000), wk = 0.0026455 k( 57) = ( 0.0199742 0.4842599 -0.0000000), wk = 0.0026455 k( 58) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 59) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 60) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0026455 k( 61) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0026455 k( 62) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0026455 k( 63) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0026455 k( 64) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0026455 k( 65) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0026455 k( 66) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0026455 k( 67) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0026455 k( 68) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0026455 k( 69) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0026455 k( 70) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0026455 k( 71) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0026455 k( 72) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0026455 k( 73) = ( 0.0000000 0.5000000 0.2058824), wk = 0.0026455 k( 74) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0026455 k( 75) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0026455 k( 76) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026455 k( 77) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0026455 k( 78) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0026455 k( 79) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0026455 k( 80) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0026455 k( 81) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0026455 k( 82) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0026455 k( 83) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0026455 k( 84) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0026455 k( 85) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0026455 k( 86) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0026455 k( 87) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0026455 k( 88) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0026455 k( 89) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0026455 k( 90) = ( 0.0000000 0.5000000 0.4558824), wk = 0.0026455 k( 91) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0026455 k( 92) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0026455 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026455 k( 95) = ( 0.0199742 0.4842599 0.5000000), wk = 0.0026455 k( 96) = ( 0.0399484 0.4685198 0.5000000), wk = 0.0026455 k( 97) = ( 0.0599226 0.4527797 0.5000000), wk = 0.0026455 k( 98) = ( 0.0798968 0.4370396 0.5000000), wk = 0.0026455 k( 99) = ( 0.0998710 0.4212996 0.5000000), wk = 0.0026455 k( 100) = ( 0.1198452 0.4055595 0.5000000), wk = 0.0026455 k( 101) = ( 0.1398194 0.3898194 0.5000000), wk = 0.0026455 k( 102) = ( 0.1597936 0.3740793 0.5000000), wk = 0.0026455 k( 103) = ( 0.1797678 0.3583392 0.5000000), wk = 0.0026455 k( 104) = ( 0.1997420 0.3425991 0.5000000), wk = 0.0026455 k( 105) = ( 0.2197162 0.3268590 0.5000000), wk = 0.0026455 k( 106) = ( 0.2396904 0.3111189 0.5000000), wk = 0.0026455 k( 107) = ( 0.2596646 0.2953788 0.5000000), wk = 0.0026455 k( 108) = ( 0.2796387 0.2796388 0.5000000), wk = 0.0026455 k( 109) = ( 0.2796387 0.2796388 0.5000000), wk = 0.0026455 k( 110) = ( 0.2729807 0.2729807 0.5000000), wk = 0.0026455 k( 111) = ( 0.2663226 0.2663226 0.5000000), wk = 0.0026455 k( 112) = ( 0.2596646 0.2596646 0.5000000), wk = 0.0026455 k( 113) = ( 0.2530065 0.2530065 0.5000000), wk = 0.0026455 k( 114) = ( 0.2463484 0.2463484 0.5000000), wk = 0.0026455 k( 115) = ( 0.2396904 0.2396904 0.5000000), wk = 0.0026455 k( 116) = ( 0.2330323 0.2330323 0.5000000), wk = 0.0026455 k( 117) = ( 0.2263742 0.2263742 0.5000000), wk = 0.0026455 k( 118) = ( 0.2197162 0.2197162 0.5000000), wk = 0.0026455 k( 119) = ( 0.2130581 0.2130581 0.5000000), wk = 0.0026455 k( 120) = ( 0.2064000 0.2064000 0.5000000), wk = 0.0026455 k( 121) = ( 0.1997420 0.1997420 0.5000000), wk = 0.0026455 k( 122) = ( 0.1930839 0.1930839 0.5000000), wk = 0.0026455 k( 123) = ( 0.1864258 0.1864258 0.5000000), wk = 0.0026455 k( 124) = ( 0.1797678 0.1797678 0.5000000), wk = 0.0026455 k( 125) = ( 0.1731097 0.1731097 0.5000000), wk = 0.0026455 k( 126) = ( 0.1664516 0.1664516 0.5000000), wk = 0.0026455 k( 127) = ( 0.1597936 0.1597936 0.5000000), wk = 0.0026455 k( 128) = ( 0.1531355 0.1531355 0.5000000), wk = 0.0026455 k( 129) = ( 0.1464774 0.1464774 0.5000000), wk = 0.0026455 k( 130) = ( 0.1398194 0.1398194 0.5000000), wk = 0.0026455 k( 131) = ( 0.1331613 0.1331613 0.5000000), wk = 0.0026455 k( 132) = ( 0.1265033 0.1265033 0.5000000), wk = 0.0026455 k( 133) = ( 0.1198452 0.1198452 0.5000000), wk = 0.0026455 k( 134) = ( 0.1131871 0.1131871 0.5000000), wk = 0.0026455 k( 135) = ( 0.1065291 0.1065291 0.5000000), wk = 0.0026455 k( 136) = ( 0.0998710 0.0998710 0.5000000), wk = 0.0026455 k( 137) = ( 0.0932129 0.0932129 0.5000000), wk = 0.0026455 k( 138) = ( 0.0865549 0.0865549 0.5000000), wk = 0.0026455 k( 139) = ( 0.0798968 0.0798968 0.5000000), wk = 0.0026455 k( 140) = ( 0.0732387 0.0732387 0.5000000), wk = 0.0026455 k( 141) = ( 0.0665807 0.0665807 0.5000000), wk = 0.0026455 k( 142) = ( 0.0599226 0.0599226 0.5000000), wk = 0.0026455 k( 143) = ( 0.0532645 0.0532645 0.5000000), wk = 0.0026455 k( 144) = ( 0.0466065 0.0466065 0.5000000), wk = 0.0026455 k( 145) = ( 0.0399484 0.0399484 0.5000000), wk = 0.0026455 k( 146) = ( 0.0332903 0.0332903 0.5000000), wk = 0.0026455 k( 147) = ( 0.0266323 0.0266323 0.5000000), wk = 0.0026455 k( 148) = ( 0.0199742 0.0199742 0.5000000), wk = 0.0026455 k( 149) = ( 0.0133161 0.0133161 0.5000000), wk = 0.0026455 k( 150) = ( 0.0066581 0.0066581 0.5000000), wk = 0.0026455 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 153) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0026455 k( 154) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 155) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0026455 k( 156) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 157) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0026455 k( 158) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 161) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0026455 k( 182) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 183) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0026455 k( 184) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 185) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0026455 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 188) = ( -0.0192308 0.0192308 -0.0000000), wk = 0.0026455 k( 189) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0026455 k( 190) = ( -0.0576923 0.0576923 -0.0000000), wk = 0.0026455 k( 191) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0026455 k( 192) = ( -0.0961538 0.0961538 -0.0000000), wk = 0.0026455 k( 193) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0026455 k( 194) = ( -0.1346154 0.1346154 -0.0000000), wk = 0.0026455 k( 195) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0026455 k( 196) = ( -0.1730769 0.1730769 -0.0000000), wk = 0.0026455 k( 197) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0026455 k( 198) = ( -0.2115385 0.2115385 -0.0000000), wk = 0.0026455 k( 199) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0026455 k( 200) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026455 k( 201) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0026455 k( 202) = ( -0.2884615 0.2884615 -0.0000000), wk = 0.0026455 k( 203) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0026455 k( 204) = ( -0.3269231 0.3269231 -0.0000000), wk = 0.0026455 k( 205) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0026455 k( 206) = ( -0.3653846 0.3653846 -0.0000000), wk = 0.0026455 k( 207) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0026455 k( 208) = ( -0.4038462 0.4038461 -0.0000000), wk = 0.0026455 k( 209) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0026455 k( 210) = ( -0.4423077 0.4423077 -0.0000000), wk = 0.0026455 k( 211) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0026455 k( 212) = ( -0.4807692 0.4807692 -0.0000000), wk = 0.0026455 k( 213) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 214) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 215) = ( -0.4933224 0.5066776 -0.0000000), wk = 0.0026455 k( 216) = ( -0.4866448 0.5133552 -0.0000000), wk = 0.0026455 k( 217) = ( -0.4799672 0.5200328 -0.0000000), wk = 0.0026455 k( 218) = ( -0.4732896 0.5267105 -0.0000000), wk = 0.0026455 k( 219) = ( -0.4666119 0.5333881 -0.0000000), wk = 0.0026455 k( 220) = ( -0.4599343 0.5400657 -0.0000000), wk = 0.0026455 k( 221) = ( -0.4532567 0.5467433 -0.0000000), wk = 0.0026455 k( 222) = ( -0.4465791 0.5534209 -0.0000000), wk = 0.0026455 k( 223) = ( -0.4399015 0.5600985 -0.0000000), wk = 0.0026455 k( 224) = ( -0.4332239 0.5667761 -0.0000000), wk = 0.0026455 k( 225) = ( -0.4265463 0.5734537 -0.0000000), wk = 0.0026455 k( 226) = ( -0.4198686 0.5801314 -0.0000000), wk = 0.0026455 k( 227) = ( -0.4131910 0.5868090 -0.0000000), wk = 0.0026455 k( 228) = ( -0.4065134 0.5934866 -0.0000000), wk = 0.0026455 k( 229) = ( -0.3998358 0.6001642 -0.0000000), wk = 0.0026455 k( 230) = ( -0.3931582 0.6068418 -0.0000000), wk = 0.0026455 k( 231) = ( -0.3864806 0.6135194 -0.0000000), wk = 0.0026455 k( 232) = ( -0.3798030 0.6201970 -0.0000000), wk = 0.0026455 k( 233) = ( -0.3731253 0.6268747 -0.0000000), wk = 0.0026455 k( 234) = ( -0.3664477 0.6335523 -0.0000000), wk = 0.0026455 k( 235) = ( -0.3597701 0.6402299 -0.0000000), wk = 0.0026455 k( 236) = ( -0.3530925 0.6469075 -0.0000000), wk = 0.0026455 k( 237) = ( -0.3464149 0.6535851 -0.0000000), wk = 0.0026455 k( 238) = ( -0.3397373 0.6602627 -0.0000000), wk = 0.0026455 k( 239) = ( -0.3330597 0.6669403 -0.0000000), wk = 0.0026455 k( 240) = ( -0.3263820 0.6736179 -0.0000000), wk = 0.0026455 k( 241) = ( -0.3197044 0.6802956 -0.0000000), wk = 0.0026455 k( 242) = ( -0.3130268 0.6869732 -0.0000000), wk = 0.0026455 k( 243) = ( -0.3063492 0.6936508 -0.0000000), wk = 0.0026455 k( 244) = ( -0.2996716 0.7003284 -0.0000000), wk = 0.0026455 k( 245) = ( -0.2929940 0.7070060 -0.0000000), wk = 0.0026455 k( 246) = ( -0.2863164 0.7136836 -0.0000000), wk = 0.0026455 k( 247) = ( -0.2796387 0.7203612 -0.0000000), wk = 0.0026455 k( 248) = ( -0.2796387 0.7203612 -0.0000000), wk = 0.0026455 k( 249) = ( -0.2796387 0.7203612 0.0147059), wk = 0.0026455 k( 250) = ( -0.2796387 0.7203612 0.0294118), wk = 0.0026455 k( 251) = ( -0.2796387 0.7203612 0.0441177), wk = 0.0026455 k( 252) = ( -0.2796387 0.7203612 0.0588235), wk = 0.0026455 k( 253) = ( -0.2796387 0.7203612 0.0735294), wk = 0.0026455 k( 254) = ( -0.2796387 0.7203612 0.0882353), wk = 0.0026455 k( 255) = ( -0.2796387 0.7203612 0.1029412), wk = 0.0026455 k( 256) = ( -0.2796387 0.7203612 0.1176471), wk = 0.0026455 k( 257) = ( -0.2796387 0.7203612 0.1323529), wk = 0.0026455 k( 258) = ( -0.2796387 0.7203612 0.1470588), wk = 0.0026455 k( 259) = ( -0.2796387 0.7203612 0.1617647), wk = 0.0026455 k( 260) = ( -0.2796387 0.7203612 0.1764706), wk = 0.0026455 k( 261) = ( -0.2796387 0.7203612 0.1911765), wk = 0.0026455 k( 262) = ( -0.2796387 0.7203612 0.2058824), wk = 0.0026455 k( 263) = ( -0.2796387 0.7203612 0.2205882), wk = 0.0026455 k( 264) = ( -0.2796387 0.7203612 0.2352941), wk = 0.0026455 k( 265) = ( -0.2796387 0.7203612 0.2500000), wk = 0.0026455 k( 266) = ( -0.2796387 0.7203612 0.2647059), wk = 0.0026455 k( 267) = ( -0.2796387 0.7203612 0.2794118), wk = 0.0026455 k( 268) = ( -0.2796387 0.7203612 0.2941177), wk = 0.0026455 k( 269) = ( -0.2796387 0.7203612 0.3088235), wk = 0.0026455 k( 270) = ( -0.2796387 0.7203612 0.3235294), wk = 0.0026455 k( 271) = ( -0.2796387 0.7203612 0.3382353), wk = 0.0026455 k( 272) = ( -0.2796387 0.7203612 0.3529412), wk = 0.0026455 k( 273) = ( -0.2796387 0.7203612 0.3676471), wk = 0.0026455 k( 274) = ( -0.2796387 0.7203612 0.3823529), wk = 0.0026455 k( 275) = ( -0.2796387 0.7203612 0.3970588), wk = 0.0026455 k( 276) = ( -0.2796387 0.7203612 0.4117647), wk = 0.0026455 k( 277) = ( -0.2796387 0.7203612 0.4264706), wk = 0.0026455 k( 278) = ( -0.2796387 0.7203612 0.4411765), wk = 0.0026455 k( 279) = ( -0.2796387 0.7203612 0.4558824), wk = 0.0026455 k( 280) = ( -0.2796387 0.7203612 0.4705882), wk = 0.0026455 k( 281) = ( -0.2796387 0.7203612 0.4852941), wk = 0.0026455 k( 282) = ( -0.2796387 0.7203612 0.5000000), wk = 0.0026455 k( 283) = ( -0.2796387 0.7203612 0.5000000), wk = 0.0026455 k( 284) = ( -0.2863164 0.7136836 0.5000000), wk = 0.0026455 k( 285) = ( -0.2929940 0.7070060 0.5000000), wk = 0.0026455 k( 286) = ( -0.2996716 0.7003284 0.5000000), wk = 0.0026455 k( 287) = ( -0.3063492 0.6936508 0.5000000), wk = 0.0026455 k( 288) = ( -0.3130268 0.6869732 0.5000000), wk = 0.0026455 k( 289) = ( -0.3197044 0.6802956 0.5000000), wk = 0.0026455 k( 290) = ( -0.3263820 0.6736179 0.5000000), wk = 0.0026455 k( 291) = ( -0.3330597 0.6669403 0.5000000), wk = 0.0026455 k( 292) = ( -0.3397373 0.6602627 0.5000000), wk = 0.0026455 k( 293) = ( -0.3464149 0.6535851 0.5000000), wk = 0.0026455 k( 294) = ( -0.3530925 0.6469075 0.5000000), wk = 0.0026455 k( 295) = ( -0.3597701 0.6402299 0.5000000), wk = 0.0026455 k( 296) = ( -0.3664477 0.6335523 0.5000000), wk = 0.0026455 k( 297) = ( -0.3731253 0.6268747 0.5000000), wk = 0.0026455 k( 298) = ( -0.3798030 0.6201970 0.5000000), wk = 0.0026455 k( 299) = ( -0.3864806 0.6135194 0.5000000), wk = 0.0026455 k( 300) = ( -0.3931582 0.6068418 0.5000000), wk = 0.0026455 k( 301) = ( -0.3998358 0.6001642 0.5000000), wk = 0.0026455 k( 302) = ( -0.4065134 0.5934866 0.5000000), wk = 0.0026455 k( 303) = ( -0.4131910 0.5868090 0.5000000), wk = 0.0026455 k( 304) = ( -0.4198686 0.5801314 0.5000000), wk = 0.0026455 k( 305) = ( -0.4265463 0.5734537 0.5000000), wk = 0.0026455 k( 306) = ( -0.4332239 0.5667761 0.5000000), wk = 0.0026455 k( 307) = ( -0.4399015 0.5600985 0.5000000), wk = 0.0026455 k( 308) = ( -0.4465791 0.5534209 0.5000000), wk = 0.0026455 k( 309) = ( -0.4532567 0.5467433 0.5000000), wk = 0.0026455 k( 310) = ( -0.4599343 0.5400657 0.5000000), wk = 0.0026455 k( 311) = ( -0.4666119 0.5333881 0.5000000), wk = 0.0026455 k( 312) = ( -0.4732896 0.5267105 0.5000000), wk = 0.0026455 k( 313) = ( -0.4799672 0.5200328 0.5000000), wk = 0.0026455 k( 314) = ( -0.4866448 0.5133552 0.5000000), wk = 0.0026455 k( 315) = ( -0.4933224 0.5066776 0.5000000), wk = 0.0026455 k( 316) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 k( 318) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0026455 k( 319) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0026455 k( 320) = ( -0.5000000 0.5000000 0.4558824), wk = 0.0026455 k( 321) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0026455 k( 322) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0026455 k( 323) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0026455 k( 324) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0026455 k( 325) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0026455 k( 326) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0026455 k( 327) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0026455 k( 328) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0026455 k( 329) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0026455 k( 330) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0026455 k( 331) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0026455 k( 332) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0026455 k( 333) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0026455 k( 334) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026455 k( 335) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0026455 k( 336) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0026455 k( 337) = ( -0.5000000 0.5000000 0.2058824), wk = 0.0026455 k( 338) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0026455 k( 339) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0026455 k( 340) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0026455 k( 341) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0026455 k( 342) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0026455 k( 343) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0026455 k( 344) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0026455 k( 345) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0026455 k( 346) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0026455 k( 347) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0026455 k( 348) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0026455 k( 349) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0026455 k( 350) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0026455 k( 351) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026455 k( 352) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 353) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0026455 k( 354) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0026455 k( 355) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0026455 k( 356) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0026455 k( 357) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0026455 k( 358) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0026455 k( 359) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0026455 k( 360) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0026455 k( 361) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0026455 k( 362) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0026455 k( 363) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0026455 k( 364) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0026455 k( 365) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026455 k( 366) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0026455 k( 367) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0026455 k( 368) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0026455 k( 369) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0026455 k( 370) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0026455 k( 371) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0026455 k( 372) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0026455 k( 373) = ( -0.4038462 0.4038461 0.5000000), wk = 0.0026455 k( 374) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0026455 k( 375) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0026455 k( 376) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0026455 k( 377) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0026455 k( 378) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026455 Dense grid: 46803 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 34837 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 248, 48) NL pseudopotentials 0.26 Mb ( 124, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1300) G-vector shells 0.01 Mb ( 665) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.73 Mb ( 248, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./InCl.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.3 secs Computing kpt #: 19 total cpu time spent up to now is 12.7 secs Computing kpt #: 20 total cpu time spent up to now is 13.2 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.9 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.3 secs Computing kpt #: 30 total cpu time spent up to now is 17.8 secs Computing kpt #: 31 total cpu time spent up to now is 18.2 secs Computing kpt #: 32 total cpu time spent up to now is 18.7 secs Computing kpt #: 33 total cpu time spent up to now is 19.1 secs Computing kpt #: 34 total cpu time spent up to now is 19.6 secs Computing kpt #: 35 total cpu time spent up to now is 20.0 secs Computing kpt #: 36 total cpu time spent up to now is 20.4 secs Computing kpt #: 37 total cpu time spent up to now is 20.9 secs Computing kpt #: 38 total cpu time spent up to now is 21.3 secs Computing kpt #: 39 total cpu time spent up to now is 21.7 secs Computing kpt #: 40 total cpu time spent up to now is 22.1 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.0 secs Computing kpt #: 43 total cpu time spent up to now is 23.4 secs Computing kpt #: 44 total cpu time spent up to now is 23.8 secs Computing kpt #: 45 total cpu time spent up to now is 24.2 secs Computing kpt #: 46 total cpu time spent up to now is 24.6 secs Computing kpt #: 47 total cpu time spent up to now is 25.0 secs Computing kpt #: 48 total cpu time spent up to now is 25.4 secs Computing kpt #: 49 total cpu time spent up to now is 25.8 secs Computing kpt #: 50 total cpu time spent up to now is 26.2 secs Computing kpt #: 51 total cpu time spent up to now is 26.6 secs Computing kpt #: 52 total cpu time spent up to now is 27.0 secs Computing kpt #: 53 total cpu time spent up to now is 27.4 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.2 secs Computing kpt #: 56 total cpu time spent up to now is 28.6 secs Computing kpt #: 57 total cpu time spent up to now is 29.0 secs Computing kpt #: 58 total cpu time spent up to now is 29.4 secs Computing kpt #: 59 total cpu time spent up to now is 29.9 secs Computing kpt #: 60 total cpu time spent up to now is 30.3 secs Computing kpt #: 61 total cpu time spent up to now is 30.7 secs Computing kpt #: 62 total cpu time spent up to now is 31.1 secs Computing kpt #: 63 total cpu time spent up to now is 31.6 secs Computing kpt #: 64 total cpu time spent up to now is 32.0 secs Computing kpt #: 65 total cpu time spent up to now is 32.4 secs Computing kpt #: 66 total cpu time spent up to now is 32.9 secs Computing kpt #: 67 total cpu time spent up to now is 33.3 secs Computing kpt #: 68 total cpu time spent up to now is 33.7 secs Computing kpt #: 69 total cpu time spent up to now is 34.1 secs Computing kpt #: 70 total cpu time spent up to now is 34.6 secs Computing kpt #: 71 total cpu time spent up to now is 35.0 secs Computing kpt #: 72 total cpu time spent up to now is 35.4 secs Computing kpt #: 73 total cpu time spent up to now is 35.8 secs Computing kpt #: 74 total cpu time spent up to now is 36.2 secs Computing kpt #: 75 total cpu time spent up to now is 36.7 secs Computing kpt #: 76 total cpu time spent up to now is 37.1 secs Computing kpt #: 77 total cpu time spent up to now is 37.5 secs Computing kpt #: 78 total cpu time spent up to now is 38.0 secs Computing kpt #: 79 total cpu time spent up to now is 38.4 secs Computing kpt #: 80 total cpu time spent up to now is 38.8 secs Computing kpt #: 81 total cpu time spent up to now is 39.3 secs Computing kpt #: 82 total cpu time spent up to now is 39.7 secs Computing kpt #: 83 total cpu time spent up to now is 40.1 secs Computing kpt #: 84 total cpu time spent up to now is 40.6 secs Computing kpt #: 85 total cpu time spent up to now is 41.0 secs Computing kpt #: 86 total cpu time spent up to now is 41.5 secs Computing kpt #: 87 total cpu time spent up to now is 41.9 secs Computing kpt #: 88 total cpu time spent up to now is 42.3 secs Computing kpt #: 89 total cpu time spent up to now is 42.8 secs Computing kpt #: 90 total cpu time spent up to now is 43.2 secs Computing kpt #: 91 total cpu time spent up to now is 43.6 secs Computing kpt #: 92 total cpu time spent up to now is 44.1 secs Computing kpt #: 93 total cpu time spent up to now is 44.5 secs Computing kpt #: 94 total cpu time spent up to now is 44.9 secs Computing kpt #: 95 total cpu time spent up to now is 45.4 secs Computing kpt #: 96 total cpu time spent up to now is 45.8 secs Computing kpt #: 97 total cpu time spent up to now is 46.2 secs Computing kpt #: 98 total cpu time spent up to now is 46.7 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.8 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.7 secs Computing kpt #: 103 total cpu time spent up to now is 49.1 secs Computing kpt #: 104 total cpu time spent up to now is 49.6 secs Computing kpt #: 105 total cpu time spent up to now is 50.0 secs Computing kpt #: 106 total cpu time spent up to now is 50.4 secs Computing kpt #: 107 total cpu time spent up to now is 50.9 secs Computing kpt #: 108 total cpu time spent up to now is 51.3 secs Computing kpt #: 109 total cpu time spent up to now is 51.7 secs Computing kpt #: 110 total cpu time spent up to now is 52.2 secs Computing kpt #: 111 total cpu time spent up to now is 52.6 secs Computing kpt #: 112 total cpu time spent up to now is 53.0 secs Computing kpt #: 113 total cpu time spent up to now is 53.5 secs Computing kpt #: 114 total cpu time spent up to now is 53.9 secs Computing kpt #: 115 total cpu time spent up to now is 54.3 secs Computing kpt #: 116 total cpu time spent up to now is 54.8 secs Computing kpt #: 117 total cpu time spent up to now is 55.2 secs Computing kpt #: 118 total cpu time spent up to now is 55.6 secs Computing kpt #: 119 total cpu time spent up to now is 56.1 secs Computing kpt #: 120 total cpu time spent up to now is 56.5 secs Computing kpt #: 121 total cpu time spent up to now is 56.9 secs Computing kpt #: 122 total cpu time spent up to now is 57.4 secs Computing kpt #: 123 total cpu time spent up to now is 57.8 secs Computing kpt #: 124 total cpu time spent up to now is 58.3 secs Computing kpt #: 125 total cpu time spent up to now is 58.7 secs Computing kpt #: 126 total cpu time spent up to now is 59.2 secs Computing kpt #: 127 total cpu time spent up to now is 59.6 secs Computing kpt #: 128 total cpu time spent up to now is 60.0 secs Computing kpt #: 129 total cpu time spent up to now is 60.5 secs Computing kpt #: 130 total cpu time spent up to now is 60.9 secs Computing kpt #: 131 total cpu time spent up to now is 61.4 secs Computing kpt #: 132 total cpu time spent up to now is 61.8 secs Computing kpt #: 133 total cpu time spent up to now is 62.3 secs Computing kpt #: 134 total cpu time spent up to now is 62.7 secs Computing kpt #: 135 total cpu time spent up to now is 63.2 secs Computing kpt #: 136 total cpu time spent up to now is 63.6 secs Computing kpt #: 137 total cpu time spent up to now is 64.1 secs Computing kpt #: 138 total cpu time spent up to now is 64.5 secs Computing kpt #: 139 total cpu time spent up to now is 65.0 secs Computing kpt #: 140 total cpu time spent up to now is 65.5 secs Computing kpt #: 141 total cpu time spent up to now is 65.9 secs Computing kpt #: 142 total cpu time spent up to now is 66.4 secs Computing kpt #: 143 total cpu time spent up to now is 66.9 secs Computing kpt #: 144 total cpu time spent up to now is 67.3 secs Computing kpt #: 145 total cpu time spent up to now is 67.8 secs Computing kpt #: 146 total cpu time spent up to now is 68.3 secs Computing kpt #: 147 total cpu time spent up to now is 68.8 secs Computing kpt #: 148 total cpu time spent up to now is 69.3 secs Computing kpt #: 149 total cpu time spent up to now is 69.7 secs Computing kpt #: 150 total cpu time spent up to now is 70.2 secs Computing kpt #: 151 total cpu time spent up to now is 70.7 secs Computing kpt #: 152 total cpu time spent up to now is 71.2 secs Computing kpt #: 153 total cpu time spent up to now is 71.7 secs Computing kpt #: 154 total cpu time spent up to now is 72.2 secs Computing kpt #: 155 total cpu time spent up to now is 72.7 secs Computing kpt #: 156 total cpu time spent up to now is 73.2 secs Computing kpt #: 157 total cpu time spent up to now is 73.7 secs Computing kpt #: 158 total cpu time spent up to now is 74.2 secs Computing kpt #: 159 total cpu time spent up to now is 74.6 secs Computing kpt #: 160 total cpu time spent up to now is 75.1 secs Computing kpt #: 161 total cpu time spent up to now is 75.6 secs Computing kpt #: 162 total cpu time spent up to now is 76.0 secs Computing kpt #: 163 total cpu time spent up to now is 76.5 secs Computing kpt #: 164 total cpu time spent up to now is 76.9 secs Computing kpt #: 165 total cpu time spent up to now is 77.4 secs Computing kpt #: 166 total cpu time spent up to now is 77.8 secs Computing kpt #: 167 total cpu time spent up to now is 78.2 secs Computing kpt #: 168 total cpu time spent up to now is 78.7 secs Computing kpt #: 169 total cpu time spent up to now is 79.1 secs Computing kpt #: 170 total cpu time spent up to now is 79.5 secs Computing kpt #: 171 total cpu time spent up to now is 80.0 secs Computing kpt #: 172 total cpu time spent up to now is 80.4 secs Computing kpt #: 173 total cpu time spent up to now is 80.9 secs Computing kpt #: 174 total cpu time spent up to now is 81.4 secs Computing kpt #: 175 total cpu time spent up to now is 81.8 secs Computing kpt #: 176 total cpu time spent up to now is 82.3 secs Computing kpt #: 177 total cpu time spent up to now is 82.8 secs Computing kpt #: 178 total cpu time spent up to now is 83.3 secs Computing kpt #: 179 total cpu time spent up to now is 83.8 secs Computing kpt #: 180 total cpu time spent up to now is 84.5 secs Computing kpt #: 181 total cpu time spent up to now is 85.1 secs Computing kpt #: 182 total cpu time spent up to now is 85.6 secs Computing kpt #: 183 total cpu time spent up to now is 86.2 secs Computing kpt #: 184 total cpu time spent up to now is 86.8 secs Computing kpt #: 185 total cpu time spent up to now is 87.4 secs Computing kpt #: 186 total cpu time spent up to now is 88.0 secs Computing kpt #: 187 total cpu time spent up to now is 88.5 secs Computing kpt #: 188 total cpu time spent up to now is 89.1 secs Computing kpt #: 189 total cpu time spent up to now is 89.7 secs Computing kpt #: 190 total cpu time spent up to now is 90.3 secs Computing kpt #: 191 total cpu time spent up to now is 90.9 secs Computing kpt #: 192 total cpu time spent up to now is 91.4 secs Computing kpt #: 193 total cpu time spent up to now is 92.0 secs Computing kpt #: 194 total cpu time spent up to now is 92.6 secs Computing kpt #: 195 total cpu time spent up to now is 93.1 secs Computing kpt #: 196 total cpu time spent up to now is 93.6 secs Computing kpt #: 197 total cpu time spent up to now is 94.1 secs Computing kpt #: 198 total cpu time spent up to now is 94.6 secs Computing kpt #: 199 total cpu time spent up to now is 95.1 secs Computing kpt #: 200 total cpu time spent up to now is 95.6 secs Computing kpt #: 201 total cpu time spent up to now is 96.1 secs Computing kpt #: 202 total cpu time spent up to now is 96.6 secs Computing kpt #: 203 total cpu time spent up to now is 97.0 secs Computing kpt #: 204 total cpu time spent up to now is 97.5 secs Computing kpt #: 205 total cpu time spent up to now is 98.0 secs Computing kpt #: 206 total cpu time spent up to now is 98.5 secs Computing kpt #: 207 total cpu time spent up to now is 99.0 secs Computing kpt #: 208 total cpu time spent up to now is 99.4 secs Computing kpt #: 209 total cpu time spent up to now is 99.9 secs Computing kpt #: 210 total cpu time spent up to now is 100.4 secs Computing kpt #: 211 total cpu time spent up to now is 100.9 secs Computing kpt #: 212 total cpu time spent up to now is 101.4 secs Computing kpt #: 213 total cpu time spent up to now is 101.8 secs Computing kpt #: 214 total cpu time spent up to now is 102.3 secs Computing kpt #: 215 total cpu time spent up to now is 102.8 secs Computing kpt #: 216 total cpu time spent up to now is 103.4 secs Computing kpt #: 217 total cpu time spent up to now is 103.8 secs Computing kpt #: 218 total cpu time spent up to now is 104.3 secs Computing kpt #: 219 total cpu time spent up to now is 104.8 secs Computing kpt #: 220 total cpu time spent up to now is 105.3 secs Computing kpt #: 221 total cpu time spent up to now is 105.7 secs Computing kpt #: 222 total cpu time spent up to now is 106.3 secs Computing kpt #: 223 total cpu time spent up to now is 106.9 secs Computing kpt #: 224 total cpu time spent up to now is 107.4 secs Computing kpt #: 225 total cpu time spent up to now is 108.0 secs Computing kpt #: 226 total cpu time spent up to now is 108.6 secs Computing kpt #: 227 total cpu time spent up to now is 109.1 secs Computing kpt #: 228 total cpu time spent up to now is 109.6 secs Computing kpt #: 229 total cpu time spent up to now is 110.1 secs Computing kpt #: 230 total cpu time spent up to now is 110.6 secs Computing kpt #: 231 total cpu time spent up to now is 111.0 secs Computing kpt #: 232 total cpu time spent up to now is 111.5 secs Computing kpt #: 233 total cpu time spent up to now is 111.9 secs Computing kpt #: 234 total cpu time spent up to now is 112.3 secs Computing kpt #: 235 total cpu time spent up to now is 112.8 secs Computing kpt #: 236 total cpu time spent up to now is 113.2 secs Computing kpt #: 237 total cpu time spent up to now is 113.6 secs Computing kpt #: 238 total cpu time spent up to now is 114.0 secs Computing kpt #: 239 total cpu time spent up to now is 114.5 secs Computing kpt #: 240 total cpu time spent up to now is 114.9 secs Computing kpt #: 241 total cpu time spent up to now is 115.3 secs Computing kpt #: 242 total cpu time spent up to now is 115.7 secs Computing kpt #: 243 total cpu time spent up to now is 116.1 secs Computing kpt #: 244 total cpu time spent up to now is 116.5 secs Computing kpt #: 245 total cpu time spent up to now is 116.9 secs Computing kpt #: 246 total cpu time spent up to now is 117.4 secs Computing kpt #: 247 total cpu time spent up to now is 117.8 secs Computing kpt #: 248 total cpu time spent up to now is 118.2 secs Computing kpt #: 249 total cpu time spent up to now is 118.6 secs Computing kpt #: 250 total cpu time spent up to now is 119.0 secs Computing kpt #: 251 total cpu time spent up to now is 119.4 secs Computing kpt #: 252 total cpu time spent up to now is 119.8 secs Computing kpt #: 253 total cpu time spent up to now is 120.3 secs Computing kpt #: 254 total cpu time spent up to now is 120.7 secs Computing kpt #: 255 total cpu time spent up to now is 121.1 secs Computing kpt #: 256 total cpu time spent up to now is 121.5 secs Computing kpt #: 257 total cpu time spent up to now is 121.9 secs Computing kpt #: 258 total cpu time spent up to now is 122.3 secs Computing kpt #: 259 total cpu time spent up to now is 122.7 secs Computing kpt #: 260 total cpu time spent up to now is 123.1 secs Computing kpt #: 261 total cpu time spent up to now is 123.5 secs Computing kpt #: 262 total cpu time spent up to now is 123.9 secs Computing kpt #: 263 total cpu time spent up to now is 124.3 secs Computing kpt #: 264 total cpu time spent up to now is 124.8 secs Computing kpt #: 265 total cpu time spent up to now is 125.2 secs Computing kpt #: 266 total cpu time spent up to now is 125.6 secs Computing kpt #: 267 total cpu time spent up to now is 126.0 secs Computing kpt #: 268 total cpu time spent up to now is 126.4 secs Computing kpt #: 269 total cpu time spent up to now is 126.8 secs Computing kpt #: 270 total cpu time spent up to now is 127.3 secs Computing kpt #: 271 total cpu time spent up to now is 127.7 secs Computing kpt #: 272 total cpu time spent up to now is 128.1 secs Computing kpt #: 273 total cpu time spent up to now is 128.5 secs Computing kpt #: 274 total cpu time spent up to now is 129.0 secs Computing kpt #: 275 total cpu time spent up to now is 129.4 secs Computing kpt #: 276 total cpu time spent up to now is 129.8 secs Computing kpt #: 277 total cpu time spent up to now is 130.3 secs Computing kpt #: 278 total cpu time spent up to now is 130.7 secs Computing kpt #: 279 total cpu time spent up to now is 131.1 secs Computing kpt #: 280 total cpu time spent up to now is 131.6 secs Computing kpt #: 281 total cpu time spent up to now is 132.0 secs Computing kpt #: 282 total cpu time spent up to now is 132.4 secs Computing kpt #: 283 total cpu time spent up to now is 132.8 secs Computing kpt #: 284 total cpu time spent up to now is 133.3 secs Computing kpt #: 285 total cpu time spent up to now is 133.7 secs Computing kpt #: 286 total cpu time spent up to now is 134.1 secs Computing kpt #: 287 total cpu time spent up to now is 134.6 secs Computing kpt #: 288 total cpu time spent up to now is 135.0 secs Computing kpt #: 289 total cpu time spent up to now is 135.4 secs Computing kpt #: 290 total cpu time spent up to now is 135.8 secs Computing kpt #: 291 total cpu time spent up to now is 136.3 secs Computing kpt #: 292 total cpu time spent up to now is 136.7 secs Computing kpt #: 293 total cpu time spent up to now is 137.1 secs Computing kpt #: 294 total cpu time spent up to now is 137.5 secs Computing kpt #: 295 total cpu time spent up to now is 138.0 secs Computing kpt #: 296 total cpu time spent up to now is 138.4 secs Computing kpt #: 297 total cpu time spent up to now is 138.8 secs Computing kpt #: 298 total cpu time spent up to now is 139.2 secs Computing kpt #: 299 total cpu time spent up to now is 139.6 secs Computing kpt #: 300 total cpu time spent up to now is 140.1 secs Computing kpt #: 301 total cpu time spent up to now is 140.5 secs Computing kpt #: 302 total cpu time spent up to now is 140.9 secs Computing kpt #: 303 total cpu time spent up to now is 141.4 secs Computing kpt #: 304 total cpu time spent up to now is 141.8 secs Computing kpt #: 305 total cpu time spent up to now is 142.3 secs Computing kpt #: 306 total cpu time spent up to now is 142.7 secs Computing kpt #: 307 total cpu time spent up to now is 143.2 secs Computing kpt #: 308 total cpu time spent up to now is 143.6 secs Computing kpt #: 309 total cpu time spent up to now is 144.1 secs Computing kpt #: 310 total cpu time spent up to now is 144.6 secs Computing kpt #: 311 total cpu time spent up to now is 145.0 secs Computing kpt #: 312 total cpu time spent up to now is 145.5 secs Computing kpt #: 313 total cpu time spent up to now is 146.0 secs Computing kpt #: 314 total cpu time spent up to now is 146.4 secs Computing kpt #: 315 total cpu time spent up to now is 147.0 secs Computing kpt #: 316 total cpu time spent up to now is 147.5 secs Computing kpt #: 317 total cpu time spent up to now is 148.0 secs Computing kpt #: 318 total cpu time spent up to now is 148.5 secs Computing kpt #: 319 total cpu time spent up to now is 149.0 secs Computing kpt #: 320 total cpu time spent up to now is 149.5 secs Computing kpt #: 321 total cpu time spent up to now is 150.0 secs Computing kpt #: 322 total cpu time spent up to now is 150.4 secs Computing kpt #: 323 total cpu time spent up to now is 150.9 secs Computing kpt #: 324 total cpu time spent up to now is 151.4 secs Computing kpt #: 325 total cpu time spent up to now is 151.9 secs Computing kpt #: 326 total cpu time spent up to now is 152.6 secs Computing kpt #: 327 total cpu time spent up to now is 153.1 secs Computing kpt #: 328 total cpu time spent up to now is 153.6 secs Computing kpt #: 329 total cpu time spent up to now is 154.1 secs Computing kpt #: 330 total cpu time spent up to now is 154.6 secs Computing kpt #: 331 total cpu time spent up to now is 155.1 secs Computing kpt #: 332 total cpu time spent up to now is 155.6 secs Computing kpt #: 333 total cpu time spent up to now is 156.2 secs Computing kpt #: 334 total cpu time spent up to now is 156.8 secs Computing kpt #: 335 total cpu time spent up to now is 157.3 secs Computing kpt #: 336 total cpu time spent up to now is 157.9 secs Computing kpt #: 337 total cpu time spent up to now is 158.5 secs Computing kpt #: 338 total cpu time spent up to now is 159.1 secs Computing kpt #: 339 total cpu time spent up to now is 159.7 secs Computing kpt #: 340 total cpu time spent up to now is 160.3 secs Computing kpt #: 341 total cpu time spent up to now is 160.9 secs Computing kpt #: 342 total cpu time spent up to now is 161.5 secs Computing kpt #: 343 total cpu time spent up to now is 162.1 secs Computing kpt #: 344 total cpu time spent up to now is 162.6 secs Computing kpt #: 345 total cpu time spent up to now is 163.2 secs Computing kpt #: 346 total cpu time spent up to now is 163.7 secs Computing kpt #: 347 total cpu time spent up to now is 164.3 secs Computing kpt #: 348 total cpu time spent up to now is 164.9 secs Computing kpt #: 349 total cpu time spent up to now is 165.3 secs Computing kpt #: 350 total cpu time spent up to now is 165.8 secs Computing kpt #: 351 total cpu time spent up to now is 166.2 secs Computing kpt #: 352 total cpu time spent up to now is 166.7 secs Computing kpt #: 353 total cpu time spent up to now is 167.2 secs Computing kpt #: 354 total cpu time spent up to now is 167.7 secs Computing kpt #: 355 total cpu time spent up to now is 168.2 secs Computing kpt #: 356 total cpu time spent up to now is 168.7 secs Computing kpt #: 357 total cpu time spent up to now is 169.1 secs Computing kpt #: 358 total cpu time spent up to now is 169.6 secs Computing kpt #: 359 total cpu time spent up to now is 170.1 secs Computing kpt #: 360 total cpu time spent up to now is 170.6 secs Computing kpt #: 361 total cpu time spent up to now is 171.0 secs Computing kpt #: 362 total cpu time spent up to now is 171.5 secs Computing kpt #: 363 total cpu time spent up to now is 172.0 secs Computing kpt #: 364 total cpu time spent up to now is 172.4 secs Computing kpt #: 365 total cpu time spent up to now is 172.9 secs Computing kpt #: 366 total cpu time spent up to now is 173.4 secs Computing kpt #: 367 total cpu time spent up to now is 173.8 secs Computing kpt #: 368 total cpu time spent up to now is 174.3 secs Computing kpt #: 369 total cpu time spent up to now is 174.8 secs Computing kpt #: 370 total cpu time spent up to now is 175.2 secs Computing kpt #: 371 total cpu time spent up to now is 175.7 secs Computing kpt #: 372 total cpu time spent up to now is 176.2 secs Computing kpt #: 373 total cpu time spent up to now is 176.6 secs Computing kpt #: 374 total cpu time spent up to now is 177.1 secs Computing kpt #: 375 total cpu time spent up to now is 177.6 secs Computing kpt #: 376 total cpu time spent up to now is 178.1 secs Computing kpt #: 377 total cpu time spent up to now is 178.5 secs Computing kpt #: 378 total cpu time spent up to now is 179.0 secs ethr = 2.50E-08, avg # of iterations = 16.7 total cpu time spent up to now is 179.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1711 -10.1711 -10.0515 -10.0515 -9.5648 -9.5648 -9.5585 -9.5585 -9.5552 -9.5552 -9.3863 -9.3863 -8.7207 -8.7207 -8.7146 -8.7146 -8.7102 -8.7102 -8.6746 -8.6746 -8.6672 -8.6672 -8.5569 -8.5569 0.4705 0.4705 0.8202 0.8202 0.8523 0.8523 1.1674 1.1674 1.7607 1.7607 1.9968 1.9968 2.1653 2.1653 3.5276 3.5276 8.3173 8.3173 8.9450 8.9450 9.3342 9.3342 9.9826 9.9826 k = 0.0067 0.0193-0.0000 ( 4355 PWs) bands (ev): -10.1708 -10.1708 -10.0513 -10.0513 -9.5647 -9.5647 -9.5585 -9.5585 -9.5552 -9.5552 -9.3863 -9.3863 -8.7207 -8.7207 -8.7146 -8.7146 -8.7101 -8.7101 -8.6746 -8.6746 -8.6672 -8.6672 -8.5570 -8.5570 0.4698 0.4698 0.8182 0.8182 0.8500 0.8500 1.1682 1.1682 1.7619 1.7619 1.9974 1.9974 2.1690 2.1690 3.5286 3.5286 8.3107 8.3107 8.9425 8.9425 9.3337 9.3337 9.9825 9.9825 k = 0.0133 0.0387-0.0000 ( 4355 PWs) bands (ev): -10.1701 -10.1701 -10.0509 -10.0509 -9.5647 -9.5647 -9.5585 -9.5585 -9.5551 -9.5551 -9.3865 -9.3865 -8.7206 -8.7206 -8.7146 -8.7146 -8.7100 -8.7100 -8.6747 -8.6747 -8.6672 -8.6672 -8.5572 -8.5572 0.4677 0.4677 0.8121 0.8121 0.8433 0.8433 1.1707 1.1707 1.7655 1.7655 1.9991 1.9991 2.1798 2.1798 3.5315 3.5315 8.2910 8.2910 8.9351 8.9351 9.3322 9.3322 9.9819 9.9819 k = 0.0200 0.0580-0.0000 ( 4361 PWs) bands (ev): -10.1689 -10.1689 -10.0503 -10.0503 -9.5647 -9.5647 -9.5585 -9.5585 -9.5550 -9.5550 -9.3870 -9.3870 -8.7205 -8.7205 -8.7145 -8.7145 -8.7100 -8.7100 -8.6747 -8.6747 -8.6673 -8.6673 -8.5577 -8.5577 0.4638 0.4638 0.8021 0.8021 0.8331 0.8331 1.1747 1.1747 1.7714 1.7714 2.0016 2.0016 2.1977 2.1977 3.5364 3.5364 8.2587 8.2587 8.9230 8.9230 9.3298 9.3298 9.9799 9.9799 k = 0.0266 0.0773-0.0000 ( 4365 PWs) bands (ev): -10.1672 -10.1672 -10.0494 -10.0494 -9.5646 -9.5646 -9.5585 -9.5585 -9.5549 -9.5549 -9.3875 -9.3875 -8.7204 -8.7204 -8.7145 -8.7145 -8.7100 -8.7100 -8.6749 -8.6749 -8.6673 -8.6673 -8.5583 -8.5583 0.4575 0.4575 0.7884 0.7884 0.8204 0.8204 1.1804 1.1804 1.7793 1.7793 2.0048 2.0048 2.2222 2.2222 3.5432 3.5432 8.2142 8.2142 8.9067 8.9067 9.3265 9.3265 9.9751 9.9751 k = 0.0333 0.0967-0.0000 ( 4369 PWs) bands (ev): -10.1651 -10.1651 -10.0483 -10.0483 -9.5645 -9.5645 -9.5584 -9.5584 -9.5548 -9.5548 -9.3881 -9.3881 -8.7202 -8.7202 -8.7145 -8.7145 -8.7099 -8.7099 -8.6750 -8.6750 -8.6675 -8.6675 -8.5591 -8.5591 0.4480 0.4480 0.7713 0.7713 0.8069 0.8069 1.1877 1.1877 1.7892 1.7892 2.0085 2.0085 2.2528 2.2528 3.5520 3.5520 8.1583 8.1583 8.8865 8.8865 9.3224 9.3224 9.9650 9.9650 k = 0.0399 0.1160-0.0000 ( 4365 PWs) bands (ev): -10.1625 -10.1625 -10.0470 -10.0470 -9.5644 -9.5644 -9.5584 -9.5584 -9.5545 -9.5545 -9.3889 -9.3889 -8.7199 -8.7199 -8.7144 -8.7144 -8.7098 -8.7098 -8.6751 -8.6751 -8.6675 -8.6675 -8.5601 -8.5601 0.4345 0.4345 0.7511 0.7511 0.7941 0.7941 1.1965 1.1965 1.8006 1.8006 2.0126 2.0126 2.2887 2.2887 3.5628 3.5628 8.0922 8.0922 8.8627 8.8627 9.3175 9.3175 9.9465 9.9465 k = 0.0466 0.1354-0.0000 ( 4361 PWs) bands (ev): -10.1595 -10.1595 -10.0454 -10.0454 -9.5643 -9.5643 -9.5583 -9.5583 -9.5543 -9.5543 -9.3898 -9.3898 -8.7196 -8.7196 -8.7143 -8.7143 -8.7097 -8.7097 -8.6753 -8.6753 -8.6676 -8.6676 -8.5612 -8.5612 0.4163 0.4163 0.7282 0.7282 0.7836 0.7836 1.2068 1.2068 1.8134 1.8134 2.0169 2.0169 2.3292 2.3292 3.5755 3.5755 8.0170 8.0170 8.8356 8.8356 9.3119 9.3119 9.9157 9.9157 k = 0.0533 0.1547-0.0000 ( 4347 PWs) bands (ev): -10.1560 -10.1560 -10.0436 -10.0436 -9.5641 -9.5641 -9.5582 -9.5582 -9.5539 -9.5539 -9.3909 -9.3909 -8.7192 -8.7192 -8.7141 -8.7141 -8.7095 -8.7095 -8.6754 -8.6754 -8.6677 -8.6677 -8.5625 -8.5625 0.3927 0.3927 0.7029 0.7029 0.7766 0.7766 1.2186 1.2186 1.8273 1.8273 2.0215 2.0215 2.3736 2.3736 3.5901 3.5901 7.9340 7.9340 8.8053 8.8053 9.3053 9.3053 9.8694 9.8694 k = 0.0599 0.1740-0.0000 ( 4365 PWs) bands (ev): -10.1522 -10.1522 -10.0416 -10.0416 -9.5639 -9.5639 -9.5583 -9.5583 -9.5535 -9.5535 -9.3922 -9.3922 -8.7189 -8.7189 -8.7140 -8.7140 -8.7095 -8.7095 -8.6756 -8.6756 -8.6680 -8.6680 -8.5640 -8.5640 0.3638 0.3638 0.6756 0.6756 0.7739 0.7739 1.2319 1.2319 1.8419 1.8419 2.0263 2.0263 2.4212 2.4212 3.6067 3.6067 7.8445 7.8445 8.7719 8.7719 9.2978 9.2978 9.8064 9.8064 k = 0.0666 0.1934-0.0000 ( 4365 PWs) bands (ev): -10.1479 -10.1479 -10.0394 -10.0394 -9.5638 -9.5638 -9.5582 -9.5582 -9.5531 -9.5531 -9.3936 -9.3936 -8.7185 -8.7185 -8.7138 -8.7138 -8.7094 -8.7094 -8.6758 -8.6758 -8.6681 -8.6681 -8.5656 -8.5656 0.3299 0.3299 0.6467 0.6467 0.7755 0.7755 1.2465 1.2465 1.8571 1.8571 2.0313 2.0313 2.4714 2.4714 3.6253 3.6253 7.7497 7.7497 8.7356 8.7356 9.2889 9.2889 9.7280 9.7280 k = 0.0732 0.2127-0.0000 ( 4379 PWs) bands (ev): -10.1433 -10.1433 -10.0371 -10.0371 -9.5637 -9.5637 -9.5581 -9.5581 -9.5526 -9.5526 -9.3952 -9.3952 -8.7182 -8.7182 -8.7137 -8.7137 -8.7093 -8.7093 -8.6761 -8.6761 -8.6683 -8.6683 -8.5674 -8.5674 0.2918 0.2918 0.6164 0.6164 0.7813 0.7813 1.2625 1.2625 1.8726 1.8726 2.0365 2.0365 2.5236 2.5236 3.6458 3.6458 7.6508 7.6508 8.6963 8.6963 9.2781 9.2781 9.6374 9.6374 k = 0.0799 0.2320-0.0000 ( 4375 PWs) bands (ev): -10.1384 -10.1384 -10.0346 -10.0346 -9.5636 -9.5636 -9.5580 -9.5580 -9.5521 -9.5521 -9.3969 -9.3969 -8.7178 -8.7178 -8.7135 -8.7135 -8.7091 -8.7091 -8.6762 -8.6762 -8.6684 -8.6684 -8.5693 -8.5693 0.2503 0.2503 0.5851 0.5851 0.7909 0.7909 1.2798 1.2798 1.8883 1.8883 2.0418 2.0418 2.5773 2.5773 3.6683 3.6683 7.5489 7.5489 8.6542 8.6542 9.2645 9.2645 9.5387 9.5387 k = 0.0866 0.2514-0.0000 ( 4375 PWs) bands (ev): -10.1331 -10.1331 -10.0319 -10.0319 -9.5634 -9.5634 -9.5579 -9.5579 -9.5515 -9.5515 -9.3987 -9.3987 -8.7174 -8.7174 -8.7133 -8.7133 -8.7090 -8.7090 -8.6764 -8.6764 -8.6686 -8.6686 -8.5714 -8.5714 0.2062 0.2062 0.5530 0.5530 0.8038 0.8038 1.2983 1.2983 1.9038 1.9038 2.0473 2.0473 2.6322 2.6322 3.6927 3.6927 7.4451 7.4451 8.6093 8.6093 9.2449 9.2449 9.4376 9.4376 k = 0.0932 0.2707-0.0000 ( 4373 PWs) bands (ev): -10.1276 -10.1276 -10.0291 -10.0291 -9.5632 -9.5632 -9.5578 -9.5578 -9.5507 -9.5507 -9.4007 -9.4007 -8.7170 -8.7170 -8.7130 -8.7130 -8.7089 -8.7089 -8.6765 -8.6765 -8.6687 -8.6687 -8.5736 -8.5736 0.1601 0.1601 0.5205 0.5205 0.8197 0.8197 1.3180 1.3180 1.9192 1.9192 2.0527 2.0527 2.6877 2.6877 3.7191 3.7191 7.3402 7.3402 8.5616 8.5616 9.2097 9.2097 9.3461 9.3461 k = 0.0999 0.2901-0.0000 ( 4369 PWs) bands (ev): -10.1218 -10.1218 -10.0262 -10.0262 -9.5631 -9.5631 -9.5577 -9.5577 -9.5499 -9.5499 -9.4029 -9.4029 -8.7165 -8.7165 -8.7127 -8.7127 -8.7088 -8.7088 -8.6766 -8.6766 -8.6688 -8.6688 -8.5759 -8.5759 0.1129 0.1129 0.4877 0.4877 0.8381 0.8381 1.3389 1.3389 1.9342 1.9342 2.0582 2.0582 2.7437 2.7437 3.7475 3.7475 7.2350 7.2350 8.5113 8.5113 9.1388 9.1388 9.2858 9.2858 k = 0.1065 0.3094-0.0000 ( 4363 PWs) bands (ev): -10.1158 -10.1158 -10.0233 -10.0233 -9.5629 -9.5629 -9.5576 -9.5576 -9.5490 -9.5490 -9.4052 -9.4052 -8.7161 -8.7161 -8.7123 -8.7123 -8.7087 -8.7087 -8.6766 -8.6766 -8.6690 -8.6690 -8.5784 -8.5784 0.0648 0.0648 0.4550 0.4550 0.8588 0.8588 1.3607 1.3607 1.9486 1.9486 2.0636 2.0636 2.7998 2.7998 3.7777 3.7777 7.1304 7.1304 8.4583 8.4583 9.0373 9.0373 9.2530 9.2530 k = 0.1132 0.3287-0.0000 ( 4357 PWs) bands (ev): -10.1096 -10.1096 -10.0202 -10.0202 -9.5627 -9.5627 -9.5574 -9.5574 -9.5480 -9.5480 -9.4076 -9.4076 -8.7157 -8.7157 -8.7119 -8.7119 -8.7085 -8.7085 -8.6766 -8.6766 -8.6691 -8.6691 -8.5809 -8.5809 0.0164 0.0164 0.4226 0.4226 0.8815 0.8815 1.3835 1.3835 1.9624 1.9624 2.0688 2.0688 2.8555 2.8555 3.8099 3.8099 7.0271 7.0271 8.4026 8.4026 8.9248 8.9248 9.2291 9.2291 k = 0.1198 0.3481-0.0000 ( 4365 PWs) bands (ev): -10.1033 -10.1033 -10.0171 -10.0171 -9.5626 -9.5626 -9.5573 -9.5573 -9.5469 -9.5469 -9.4102 -9.4102 -8.7154 -8.7154 -8.7116 -8.7116 -8.7085 -8.7085 -8.6767 -8.6767 -8.6692 -8.6692 -8.5835 -8.5835 -0.0319 -0.0319 0.3905 0.3905 0.9059 0.9059 1.4071 1.4071 1.9754 1.9754 2.0739 2.0739 2.9107 2.9107 3.8439 3.8439 6.9257 6.9257 8.3443 8.3443 8.8095 8.8095 9.2071 9.2071 k = 0.1265 0.3674-0.0000 ( 4363 PWs) bands (ev): -10.0968 -10.0968 -10.0140 -10.0140 -9.5625 -9.5625 -9.5573 -9.5573 -9.5458 -9.5458 -9.4129 -9.4129 -8.7151 -8.7151 -8.7113 -8.7113 -8.7084 -8.7084 -8.6766 -8.6766 -8.6693 -8.6693 -8.5862 -8.5862 -0.0798 -0.0798 0.3592 0.3592 0.9320 0.9320 1.4316 1.4316 1.9876 1.9876 2.0787 2.0787 2.9651 2.9651 3.8797 3.8797 6.8269 6.8269 8.2829 8.2829 8.6948 8.6948 9.1846 9.1846 k = 0.1332 0.3867-0.0000 ( 4379 PWs) bands (ev): -10.0903 -10.0903 -10.0109 -10.0109 -9.5625 -9.5625 -9.5573 -9.5573 -9.5445 -9.5445 -9.4158 -9.4158 -8.7148 -8.7148 -8.7111 -8.7111 -8.7083 -8.7083 -8.6765 -8.6765 -8.6693 -8.6693 -8.5890 -8.5890 -0.1272 -0.1272 0.3286 0.3286 0.9595 0.9595 1.4567 1.4567 1.9988 1.9988 2.0833 2.0833 3.0182 3.0182 3.9173 3.9173 6.7313 6.7313 8.2182 8.2182 8.5826 8.5826 9.1608 9.1608 k = 0.1398 0.4061-0.0000 ( 4383 PWs) bands (ev): -10.0838 -10.0838 -10.0078 -10.0078 -9.5624 -9.5624 -9.5572 -9.5572 -9.5431 -9.5431 -9.4188 -9.4188 -8.7145 -8.7145 -8.7109 -8.7109 -8.7081 -8.7081 -8.6764 -8.6764 -8.6693 -8.6693 -8.5919 -8.5919 -0.1737 -0.1737 0.2990 0.2990 0.9883 0.9883 1.4823 1.4823 2.0089 2.0089 2.0875 2.0875 3.0699 3.0699 3.9565 3.9565 6.6395 6.6395 8.1494 8.1494 8.4749 8.4749 9.1354 9.1354 k = 0.1465 0.4254-0.0000 ( 4383 PWs) bands (ev): -10.0772 -10.0772 -10.0048 -10.0048 -9.5623 -9.5623 -9.5572 -9.5572 -9.5416 -9.5416 -9.4220 -9.4220 -8.7142 -8.7142 -8.7108 -8.7108 -8.7078 -8.7078 -8.6762 -8.6762 -8.6693 -8.6693 -8.5948 -8.5948 -0.2191 -0.2191 0.2706 0.2706 1.0182 1.0182 1.5085 1.5085 2.0178 2.0178 2.0914 2.0914 3.1197 3.1197 3.9973 3.9973 6.5521 6.5521 8.0758 8.0758 8.3735 8.3735 9.1081 9.1081 k = 0.1531 0.4447-0.0000 ( 4387 PWs) bands (ev): -10.0707 -10.0707 -10.0018 -10.0018 -9.5621 -9.5621 -9.5572 -9.5572 -9.5400 -9.5400 -9.4253 -9.4253 -8.7139 -8.7139 -8.7109 -8.7109 -8.7075 -8.7075 -8.6759 -8.6759 -8.6692 -8.6692 -8.5978 -8.5978 -0.2634 -0.2634 0.2434 0.2434 1.0491 1.0491 1.5350 1.5350 2.0255 2.0255 2.0949 2.0949 3.1672 3.1672 4.0395 4.0395 6.4699 6.4699 7.9965 7.9965 8.2797 8.2797 9.0788 9.0788 k = 0.1598 0.4641-0.0000 ( 4387 PWs) bands (ev): -10.0643 -10.0643 -9.9990 -9.9990 -9.5620 -9.5620 -9.5571 -9.5571 -9.5383 -9.5383 -9.4287 -9.4287 -8.7136 -8.7136 -8.7110 -8.7110 -8.7072 -8.7072 -8.6757 -8.6757 -8.6690 -8.6690 -8.6007 -8.6007 -0.3062 -0.3062 0.2177 0.2177 1.0808 1.0808 1.5617 1.5617 2.0317 2.0317 2.0980 2.0980 3.2122 3.2122 4.0830 4.0830 6.3932 6.3932 7.9117 7.9117 8.1946 8.1946 9.0475 9.0475 k = 0.1665 0.4834-0.0000 ( 4383 PWs) bands (ev): -10.0579 -10.0579 -9.9962 -9.9962 -9.5619 -9.5619 -9.5571 -9.5571 -9.5365 -9.5365 -9.4322 -9.4322 -8.7133 -8.7133 -8.7112 -8.7112 -8.7068 -8.7068 -8.6754 -8.6754 -8.6686 -8.6686 -8.6037 -8.6037 -0.3476 -0.3476 0.1935 0.1935 1.1132 1.1132 1.5885 1.5885 2.0365 2.0365 2.1007 2.1007 3.2543 3.2543 4.1275 4.1275 6.3229 6.3229 7.8224 7.8224 8.1177 8.1177 9.0142 9.0142 k = 0.1731 0.5028-0.0000 ( 4387 PWs) bands (ev): -10.0518 -10.0518 -9.9936 -9.9936 -9.5617 -9.5617 -9.5571 -9.5571 -9.5347 -9.5347 -9.4359 -9.4359 -8.7130 -8.7130 -8.7114 -8.7114 -8.7064 -8.7064 -8.6752 -8.6752 -8.6682 -8.6682 -8.6067 -8.6067 -0.3873 -0.3873 0.1709 0.1709 1.1462 1.1462 1.6154 1.6154 2.0397 2.0397 2.1031 2.1031 3.2930 3.2930 4.1728 4.1728 6.2594 6.2594 7.7303 7.7303 8.0482 8.0482 8.9789 8.9789 k = 0.1798 0.5221-0.0000 ( 4377 PWs) bands (ev): -10.0458 -10.0458 -9.9912 -9.9912 -9.5616 -9.5616 -9.5570 -9.5570 -9.5326 -9.5326 -9.4396 -9.4396 -8.7127 -8.7127 -8.7117 -8.7117 -8.7060 -8.7060 -8.6749 -8.6749 -8.6676 -8.6676 -8.6097 -8.6097 -0.4254 -0.4254 0.1501 0.1501 1.1795 1.1795 1.6421 1.6421 2.0413 2.0413 2.1051 2.1051 3.3280 3.3280 4.2187 4.2187 6.2034 6.2034 7.6373 7.6373 7.9848 7.9848 8.9416 8.9416 k = 0.1864 0.5414-0.0000 ( 4369 PWs) bands (ev): -10.0401 -10.0401 -9.9889 -9.9889 -9.5614 -9.5614 -9.5570 -9.5570 -9.5305 -9.5305 -9.4433 -9.4433 -8.7125 -8.7125 -8.7118 -8.7118 -8.7056 -8.7056 -8.6747 -8.6747 -8.6669 -8.6669 -8.6126 -8.6126 -0.4616 -0.4616 0.1311 0.1311 1.2131 1.2131 1.6685 1.6685 2.0412 2.0412 2.1068 2.1068 3.3589 3.3589 4.2646 4.2646 6.1554 6.1554 7.5455 7.5455 7.9266 7.9266 8.9023 8.9023 k = 0.1931 0.5608-0.0000 ( 4365 PWs) bands (ev): -10.0346 -10.0346 -9.9869 -9.9869 -9.5612 -9.5612 -9.5570 -9.5570 -9.5283 -9.5283 -9.4472 -9.4472 -8.7126 -8.7126 -8.7117 -8.7117 -8.7053 -8.7053 -8.6746 -8.6746 -8.6660 -8.6660 -8.6156 -8.6156 -0.4959 -0.4959 0.1140 0.1140 1.2468 1.2468 1.6946 1.6946 2.0395 2.0395 2.1080 2.1080 3.3855 3.3855 4.3103 4.3103 6.1160 6.1160 7.4561 7.4561 7.8727 7.8727 8.8610 8.8610 k = 0.1997 0.5801-0.0000 ( 4371 PWs) bands (ev): -10.0294 -10.0294 -9.9851 -9.9851 -9.5611 -9.5611 -9.5570 -9.5570 -9.5261 -9.5261 -9.4512 -9.4512 -8.7130 -8.7130 -8.7114 -8.7114 -8.7050 -8.7050 -8.6746 -8.6746 -8.6650 -8.6650 -8.6185 -8.6185 -0.5283 -0.5283 0.0990 0.0990 1.2804 1.2804 1.7201 1.7201 2.0361 2.0361 2.1088 2.1088 3.4075 3.4075 4.3552 4.3552 6.0854 6.0854 7.3706 7.3706 7.8229 7.8229 8.8177 8.8177 k = 0.2064 0.5994-0.0000 ( 4365 PWs) bands (ev): -10.0245 -10.0245 -9.9835 -9.9835 -9.5610 -9.5610 -9.5570 -9.5570 -9.5237 -9.5237 -9.4551 -9.4551 -8.7134 -8.7134 -8.7110 -8.7110 -8.7047 -8.7047 -8.6746 -8.6746 -8.6637 -8.6637 -8.6213 -8.6213 -0.5587 -0.5587 0.0859 0.0859 1.3137 1.3137 1.7450 1.7450 2.0310 2.0310 2.1091 2.1091 3.4249 3.4249 4.3987 4.3987 6.0641 6.0641 7.2901 7.2901 7.7769 7.7769 8.7724 8.7724 k = 0.2131 0.6188-0.0000 ( 4365 PWs) bands (ev): -10.0200 -10.0200 -9.9823 -9.9823 -9.5608 -9.5608 -9.5570 -9.5570 -9.5213 -9.5213 -9.4591 -9.4591 -8.7137 -8.7137 -8.7107 -8.7107 -8.7045 -8.7045 -8.6747 -8.6747 -8.6625 -8.6625 -8.6241 -8.6241 -0.5870 -0.5870 0.0750 0.0750 1.3466 1.3466 1.7691 1.7691 2.0243 2.0243 2.1089 2.1089 3.4375 3.4375 4.4402 4.4402 6.0523 6.0523 7.2155 7.2155 7.7346 7.7346 8.7253 8.7253 k = 0.2197 0.6381-0.0000 ( 4361 PWs) bands (ev): -10.0158 -10.0158 -9.9812 -9.9812 -9.5607 -9.5607 -9.5569 -9.5569 -9.5189 -9.5189 -9.4630 -9.4630 -8.7141 -8.7141 -8.7103 -8.7103 -8.7043 -8.7043 -8.6747 -8.6747 -8.6611 -8.6611 -8.6268 -8.6268 -0.6132 -0.6132 0.0662 0.0662 1.3789 1.3789 1.7923 1.7923 2.0161 2.0161 2.1082 2.1082 3.4456 3.4456 4.4789 4.4789 6.0500 6.0500 7.1480 7.1480 7.6961 7.6961 8.6764 8.6764 k = 0.2264 0.6575-0.0000 ( 4365 PWs) bands (ev): -10.0121 -10.0121 -9.9805 -9.9805 -9.5606 -9.5606 -9.5570 -9.5570 -9.5165 -9.5165 -9.4669 -9.4669 -8.7145 -8.7145 -8.7100 -8.7100 -8.7041 -8.7041 -8.6749 -8.6749 -8.6597 -8.6597 -8.6293 -8.6293 -0.6374 -0.6374 0.0596 0.0596 1.4103 1.4103 1.8144 1.8144 2.0064 2.0064 2.1070 2.1070 3.4493 3.4493 4.5140 4.5140 6.0571 6.0571 7.0884 7.0884 7.6614 7.6614 8.6259 8.6259 k = 0.2330 0.6768-0.0000 ( 4363 PWs) bands (ev): -10.0088 -10.0088 -9.9800 -9.9800 -9.5605 -9.5605 -9.5570 -9.5570 -9.5141 -9.5141 -9.4707 -9.4707 -8.7149 -8.7149 -8.7096 -8.7096 -8.7040 -8.7040 -8.6751 -8.6751 -8.6582 -8.6582 -8.6318 -8.6318 -0.6593 -0.6593 0.0552 0.0552 1.4407 1.4407 1.8354 1.8354 1.9953 1.9953 2.1053 2.1053 3.4490 3.4490 4.5447 4.5447 6.0735 6.0735 7.0378 7.0378 7.6306 7.6306 8.5741 8.5741 k = 0.2397 0.6961-0.0000 ( 4367 PWs) bands (ev): -10.0060 -10.0060 -9.9798 -9.9798 -9.5604 -9.5604 -9.5570 -9.5570 -9.5118 -9.5118 -9.4744 -9.4744 -8.7153 -8.7153 -8.7093 -8.7093 -8.7039 -8.7039 -8.6753 -8.6753 -8.6567 -8.6567 -8.6341 -8.6341 -0.6792 -0.6792 0.0530 0.0530 1.4699 1.4699 1.8551 1.8551 1.9828 1.9828 2.1031 2.1031 3.4453 3.4453 4.5701 4.5701 6.0988 6.0988 6.9971 6.9971 7.6038 7.6038 8.5210 8.5210 k = 0.2463 0.7155-0.0000 ( 4365 PWs) bands (ev): -10.0036 -10.0036 -9.9799 -9.9799 -9.5603 -9.5603 -9.5569 -9.5569 -9.5096 -9.5096 -9.4777 -9.4777 -8.7157 -8.7157 -8.7090 -8.7090 -8.7038 -8.7038 -8.6756 -8.6756 -8.6551 -8.6551 -8.6361 -8.6361 -0.6969 -0.6969 0.0530 0.0530 1.4976 1.4976 1.8734 1.8734 1.9691 1.9691 2.1005 2.1005 3.4387 3.4387 4.5894 4.5894 6.1326 6.1326 6.9671 6.9671 7.5811 7.5811 8.4671 8.4671 k = 0.2530 0.7348-0.0000 ( 4361 PWs) bands (ev): -10.0018 -10.0018 -9.9803 -9.9803 -9.5602 -9.5602 -9.5569 -9.5569 -9.5077 -9.5077 -9.4807 -9.4807 -8.7160 -8.7160 -8.7086 -8.7086 -8.7038 -8.7038 -8.6759 -8.6759 -8.6537 -8.6537 -8.6379 -8.6379 -0.7125 -0.7125 0.0553 0.0553 1.5238 1.5238 1.8902 1.8902 1.9541 1.9541 2.0974 2.0974 3.4297 3.4297 4.6018 4.6018 6.1744 6.1744 6.9485 6.9485 7.5626 7.5626 8.4125 8.4125 k = 0.2597 0.7541-0.0000 ( 4365 PWs) bands (ev): -10.0005 -10.0005 -9.9808 -9.9808 -9.5602 -9.5602 -9.5569 -9.5569 -9.5064 -9.5064 -9.4831 -9.4831 -8.7163 -8.7163 -8.7083 -8.7083 -8.7037 -8.7037 -8.6763 -8.6763 -8.6525 -8.6525 -8.6393 -8.6393 -0.7260 -0.7260 0.0597 0.0597 1.5482 1.5482 1.9052 1.9052 1.9383 1.9383 2.0940 2.0940 3.4191 3.4191 4.6070 4.6070 6.2238 6.2238 6.9418 6.9418 7.5484 7.5484 8.3575 8.3575 k = 0.2663 0.7735-0.0000 ( 4363 PWs) bands (ev): -9.9998 -9.9998 -9.9816 -9.9816 -9.5601 -9.5601 -9.5568 -9.5568 -9.5058 -9.5058 -9.4847 -9.4847 -8.7166 -8.7166 -8.7079 -8.7079 -8.7037 -8.7037 -8.6767 -8.6767 -8.6516 -8.6516 -8.6401 -8.6401 -0.7375 -0.7375 0.0663 0.0663 1.5706 1.5706 1.9148 1.9148 1.9252 1.9252 2.0903 2.0903 3.4074 3.4074 4.6044 4.6044 6.2802 6.2802 6.9472 6.9472 7.5386 7.5386 8.3024 8.3024 k = 0.2730 0.7928-0.0000 ( 4369 PWs) bands (ev): -9.9998 -9.9998 -9.9825 -9.9825 -9.5601 -9.5601 -9.5568 -9.5568 -9.5062 -9.5062 -9.4851 -9.4851 -8.7169 -8.7169 -8.7076 -8.7076 -8.7038 -8.7038 -8.6773 -8.6773 -8.6514 -8.6514 -8.6402 -8.6402 -0.7469 -0.7469 0.0750 0.0750 1.5909 1.5909 1.9011 1.9011 1.9328 1.9328 2.0863 2.0863 3.3951 3.3951 4.5942 4.5942 6.3431 6.3431 6.9646 6.9646 7.5334 7.5334 8.2474 8.2474 k = 0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0003 -10.0003 -9.9836 -9.9836 -9.5600 -9.5600 -9.5568 -9.5568 -9.5075 -9.5075 -9.4845 -9.4845 -8.7171 -8.7171 -8.7073 -8.7073 -8.7038 -8.7038 -8.6779 -8.6779 -8.6517 -8.6517 -8.6394 -8.6394 -0.7543 -0.7543 0.0858 0.0858 1.6090 1.6090 1.8824 1.8824 1.9428 1.9428 2.0822 2.0822 3.3830 3.3830 4.5766 4.5766 6.4119 6.4119 6.9934 6.9934 7.5330 7.5330 8.1928 8.1928 k = 0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0003 -10.0003 -9.9836 -9.9836 -9.5600 -9.5600 -9.5568 -9.5568 -9.5075 -9.5075 -9.4845 -9.4845 -8.7171 -8.7171 -8.7073 -8.7073 -8.7038 -8.7038 -8.6779 -8.6779 -8.6517 -8.6517 -8.6394 -8.6394 -0.7543 -0.7543 0.0858 0.0858 1.6090 1.6090 1.8824 1.8824 1.9428 1.9428 2.0822 2.0822 3.3830 3.3830 4.5766 4.5766 6.4119 6.4119 6.9934 6.9934 7.5330 7.5330 8.1928 8.1928 k = 0.2597 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0001 -10.0001 -9.9832 -9.9832 -9.5600 -9.5600 -9.5568 -9.5568 -9.5069 -9.5069 -9.4848 -9.4848 -8.7170 -8.7170 -8.7075 -8.7075 -8.7037 -8.7037 -8.6777 -8.6777 -8.6515 -8.6515 -8.6397 -8.6397 -0.7517 -0.7517 0.0815 0.0815 1.6050 1.6050 1.8878 1.8878 1.9404 1.9404 2.0819 2.0819 3.3870 3.3870 4.5817 4.5817 6.3911 6.3911 6.9835 6.9835 7.5330 7.5330 8.2089 8.2089 k = 0.2397 0.8122-0.0000 ( 4364 PWs) bands (ev): -9.9999 -9.9999 -9.9830 -9.9830 -9.5600 -9.5600 -9.5568 -9.5568 -9.5063 -9.5063 -9.4851 -9.4851 -8.7169 -8.7169 -8.7077 -8.7077 -8.7035 -8.7035 -8.6776 -8.6776 -8.6513 -8.6513 -8.6400 -8.6400 -0.7478 -0.7478 0.0762 0.0762 1.6040 1.6040 1.8916 1.8916 1.9392 1.9392 2.0783 2.0783 3.3912 3.3912 4.5837 4.5837 6.3743 6.3743 6.9754 6.9754 7.5343 7.5343 8.2225 8.2225 k = 0.2197 0.8122-0.0000 ( 4361 PWs) bands (ev): -9.9999 -9.9999 -9.9828 -9.9828 -9.5601 -9.5601 -9.5568 -9.5568 -9.5056 -9.5056 -9.4853 -9.4853 -8.7168 -8.7168 -8.7080 -8.7080 -8.7033 -8.7033 -8.6774 -8.6774 -8.6510 -8.6510 -8.6403 -8.6403 -0.7430 -0.7430 0.0699 0.0699 1.6060 1.6060 1.8936 1.8936 1.9392 1.9392 2.0716 2.0716 3.3956 3.3956 4.5829 4.5829 6.3614 6.3614 6.9692 6.9692 7.5367 7.5367 8.2333 8.2333 k = 0.1997 0.8122-0.0000 ( 4359 PWs) bands (ev): -9.9998 -9.9998 -9.9827 -9.9827 -9.5601 -9.5601 -9.5568 -9.5568 -9.5049 -9.5049 -9.4857 -9.4857 -8.7166 -8.7166 -8.7084 -8.7084 -8.7030 -8.7030 -8.6773 -8.6773 -8.6507 -8.6507 -8.6405 -8.6405 -0.7374 -0.7374 0.0627 0.0627 1.6110 1.6110 1.8941 1.8941 1.9404 1.9404 2.0622 2.0622 3.4001 3.4001 4.5798 4.5798 6.3521 6.3521 6.9646 6.9646 7.5400 7.5400 8.2414 8.2414 k = 0.1798 0.8122-0.0000 ( 4359 PWs) bands (ev): -9.9998 -9.9998 -9.9826 -9.9826 -9.5601 -9.5601 -9.5569 -9.5569 -9.5041 -9.5041 -9.4860 -9.4860 -8.7165 -8.7165 -8.7088 -8.7088 -8.7027 -8.7027 -8.6772 -8.6772 -8.6504 -8.6504 -8.6408 -8.6408 -0.7312 -0.7312 0.0549 0.0549 1.6188 1.6188 1.8935 1.8935 1.9421 1.9421 2.0505 2.0505 3.4044 3.4044 4.5747 4.5747 6.3461 6.3461 6.9614 6.9614 7.5440 7.5440 8.2469 8.2469 k = 0.1598 0.8122-0.0000 ( 4362 PWs) bands (ev): -9.9999 -9.9999 -9.9825 -9.9825 -9.5602 -9.5602 -9.5569 -9.5569 -9.5032 -9.5032 -9.4865 -9.4865 -8.7164 -8.7164 -8.7092 -8.7092 -8.7025 -8.7025 -8.6772 -8.6772 -8.6500 -8.6500 -8.6410 -8.6410 -0.7246 -0.7246 0.0467 0.0467 1.6293 1.6293 1.8921 1.8921 1.9438 1.9438 2.0368 2.0368 3.4086 3.4086 4.5682 4.5682 6.3429 6.3429 6.9595 6.9595 7.5483 7.5483 8.2500 8.2500 k = 0.1398 0.8122-0.0000 ( 4366 PWs) bands (ev): -9.9999 -9.9999 -9.9826 -9.9826 -9.5602 -9.5602 -9.5569 -9.5569 -9.5023 -9.5023 -9.4870 -9.4870 -8.7162 -8.7162 -8.7096 -8.7096 -8.7022 -8.7022 -8.6772 -8.6772 -8.6496 -8.6496 -8.6413 -8.6413 -0.7179 -0.7179 0.0383 0.0383 1.6422 1.6422 1.8905 1.8905 1.9446 1.9446 2.0221 2.0221 3.4126 3.4126 4.5610 4.5610 6.3419 6.3419 6.9586 6.9586 7.5529 7.5529 8.2513 8.2513 k = 0.1198 0.8122-0.0000 ( 4366 PWs) bands (ev): -9.9999 -9.9999 -9.9826 -9.9826 -9.5603 -9.5603 -9.5570 -9.5570 -9.5013 -9.5013 -9.4876 -9.4876 -8.7161 -8.7161 -8.7100 -8.7100 -8.7020 -8.7020 -8.6772 -8.6772 -8.6491 -8.6491 -8.6416 -8.6416 -0.7114 -0.7114 0.0300 0.0300 1.6572 1.6572 1.8887 1.8887 1.9436 1.9436 2.0076 2.0076 3.4162 3.4162 4.5535 4.5535 6.3424 6.3424 6.9584 6.9584 7.5575 7.5575 8.2511 8.2511 k = 0.0999 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0000 -10.0000 -9.9827 -9.9827 -9.5603 -9.5603 -9.5570 -9.5570 -9.5002 -9.5002 -9.4883 -9.4883 -8.7160 -8.7160 -8.7104 -8.7104 -8.7018 -8.7018 -8.6772 -8.6772 -8.6486 -8.6486 -8.6420 -8.6420 -0.7052 -0.7052 0.0223 0.0223 1.6737 1.6737 1.8870 1.8870 1.9392 1.9392 1.9951 1.9951 3.4193 3.4193 4.5462 4.5462 6.3440 6.3440 6.9588 6.9588 7.5617 7.5618 8.2499 8.2499 k = 0.0799 0.8122-0.0000 ( 4363 PWs) bands (ev): -10.0000 -10.0000 -9.9827 -9.9827 -9.5603 -9.5603 -9.5570 -9.5570 -9.4992 -9.4992 -9.4890 -9.4890 -8.7158 -8.7158 -8.7106 -8.7106 -8.7016 -8.7016 -8.6772 -8.6772 -8.6481 -8.6481 -8.6423 -8.6423 -0.6998 -0.6998 0.0154 0.0154 1.6909 1.6909 1.8854 1.8854 1.9304 1.9304 1.9866 1.9866 3.4220 3.4220 4.5397 4.5397 6.3461 6.3461 6.9594 6.9594 7.5656 7.5656 8.2482 8.2482 k = 0.0599 0.8122-0.0000 ( 4362 PWs) bands (ev): -10.0000 -10.0000 -9.9828 -9.9828 -9.5604 -9.5604 -9.5570 -9.5570 -9.4982 -9.4982 -9.4897 -9.4897 -8.7157 -8.7157 -8.7109 -8.7109 -8.7015 -8.7015 -8.6773 -8.6773 -8.6477 -8.6477 -8.6426 -8.6426 -0.6952 -0.6952 0.0097 0.0097 1.7079 1.7079 1.8839 1.8839 1.9180 1.9180 1.9821 1.9821 3.4241 3.4241 4.5342 4.5342 6.3482 6.3482 6.9602 6.9602 7.5687 7.5687 8.2465 8.2465 k = 0.0399 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0000 -10.0000 -9.9829 -9.9829 -9.5604 -9.5604 -9.5570 -9.5570 -9.4973 -9.4973 -9.4904 -9.4904 -8.7156 -8.7156 -8.7111 -8.7111 -8.7014 -8.7014 -8.6773 -8.6773 -8.6473 -8.6473 -8.6429 -8.6429 -0.6918 -0.6918 0.0054 0.0054 1.7231 1.7231 1.8826 1.8826 1.9053 1.9053 1.9800 1.9800 3.4256 3.4256 4.5300 4.5300 6.3500 6.3500 6.9608 6.9608 7.5711 7.5711 8.2449 8.2449 k = 0.0200 0.8122-0.0000 ( 4364 PWs) bands (ev): -10.0000 -10.0000 -9.9829 -9.9829 -9.5604 -9.5604 -9.5570 -9.5570 -9.4966 -9.4966 -9.4909 -9.4909 -8.7155 -8.7155 -8.7112 -8.7112 -8.7013 -8.7013 -8.6773 -8.6773 -8.6470 -8.6470 -8.6431 -8.6431 -0.6896 -0.6896 0.0027 0.0027 1.7341 1.7341 1.8810 1.8810 1.8960 1.8960 1.9792 1.9792 3.4266 3.4266 4.5274 4.5274 6.3512 6.3512 6.9612 6.9612 7.5726 7.5726 8.2439 8.2439 k = 0.0000 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0001 -10.0001 -9.9829 -9.9829 -9.5605 -9.5605 -9.5570 -9.5570 -9.4964 -9.4964 -9.4912 -9.4912 -8.7155 -8.7155 -8.7113 -8.7113 -8.7013 -8.7013 -8.6773 -8.6773 -8.6469 -8.6469 -8.6432 -8.6432 -0.6889 -0.6889 0.0018 0.0018 1.7382 1.7382 1.8801 1.8801 1.8929 1.8929 1.9790 1.9790 3.4269 3.4269 4.5266 4.5266 6.3516 6.3516 6.9614 6.9614 7.5731 7.5731 8.2435 8.2435 k = 0.0000 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0001 -10.0001 -9.9829 -9.9829 -9.5605 -9.5605 -9.5570 -9.5570 -9.4964 -9.4964 -9.4912 -9.4912 -8.7155 -8.7155 -8.7113 -8.7113 -8.7013 -8.7013 -8.6773 -8.6773 -8.6469 -8.6469 -8.6432 -8.6432 -0.6889 -0.6889 0.0018 0.0018 1.7382 1.7382 1.8801 1.8801 1.8929 1.8929 1.9790 1.9790 3.4269 3.4269 4.5266 4.5266 6.3516 6.3516 6.9614 6.9614 7.5731 7.5731 8.2435 8.2435 k = 0.0000 0.8122 0.0204 ( 4368 PWs) bands (ev): -10.0003 -10.0003 -9.9831 -9.9831 -9.5604 -9.5604 -9.5570 -9.5570 -9.4963 -9.4963 -9.4909 -9.4909 -8.7158 -8.7158 -8.7110 -8.7110 -8.7012 -8.7012 -8.6773 -8.6773 -8.6474 -8.6474 -8.6426 -8.6426 -0.6877 -0.6877 0.0028 0.0028 1.7339 1.7339 1.8790 1.8790 1.8914 1.8914 1.9812 1.9812 3.4261 3.4261 4.5202 4.5202 6.3551 6.3551 6.9647 6.9647 7.5784 7.5784 8.2373 8.2373 k = 0.0000 0.8122 0.0409 ( 4368 PWs) bands (ev): -10.0010 -10.0010 -9.9837 -9.9837 -9.5603 -9.5603 -9.5569 -9.5569 -9.4960 -9.4960 -9.4901 -9.4901 -8.7163 -8.7163 -8.7102 -8.7102 -8.7009 -8.7009 -8.6772 -8.6772 -8.6484 -8.6484 -8.6413 -8.6413 -0.6841 -0.6841 0.0059 0.0059 1.7214 1.7214 1.8735 1.8735 1.8893 1.8893 1.9872 1.9872 3.4238 3.4238 4.5013 4.5013 6.3655 6.3655 6.9745 6.9745 7.5939 7.5939 8.2197 8.2197 k = 0.0000 0.8122 0.0613 ( 4376 PWs) bands (ev): -10.0021 -10.0021 -9.9848 -9.9848 -9.5602 -9.5602 -9.5568 -9.5568 -9.4956 -9.4956 -9.4889 -9.4889 -8.7169 -8.7169 -8.7093 -8.7093 -8.7003 -8.7003 -8.6772 -8.6772 -8.6494 -8.6494 -8.6397 -8.6397 -0.6781 -0.6781 0.0110 0.0110 1.7021 1.7021 1.8616 1.8616 1.8889 1.8889 1.9956 1.9956 3.4199 3.4199 4.4705 4.4705 6.3826 6.3826 6.9905 6.9905 7.6190 7.6190 8.1928 8.1928 k = 0.0000 0.8122 0.0817 ( 4376 PWs) bands (ev): -10.0036 -10.0036 -9.9862 -9.9862 -9.5600 -9.5600 -9.5565 -9.5565 -9.4950 -9.4950 -9.4873 -9.4873 -8.7174 -8.7174 -8.7083 -8.7083 -8.6993 -8.6993 -8.6772 -8.6772 -8.6503 -8.6503 -8.6379 -8.6379 -0.6696 -0.6696 0.0181 0.0181 1.6774 1.6774 1.8448 1.8448 1.8887 1.8887 2.0052 2.0052 3.4144 3.4144 4.4287 4.4287 6.4064 6.4064 7.0126 7.0126 7.6524 7.6524 8.1600 8.1600 k = 0.0000 0.8122 0.1022 ( 4370 PWs) bands (ev): -10.0056 -10.0056 -9.9880 -9.9880 -9.5597 -9.5597 -9.5561 -9.5561 -9.4941 -9.4941 -9.4853 -9.4853 -8.7178 -8.7178 -8.7074 -8.7074 -8.6980 -8.6980 -8.6771 -8.6771 -8.6511 -8.6511 -8.6361 -8.6361 -0.6588 -0.6588 0.0273 0.0273 1.6485 1.6485 1.8240 1.8240 1.8878 1.8878 2.0150 2.0150 3.4071 3.4071 4.3771 4.3771 6.4367 6.4367 7.0402 7.0402 7.6927 7.6927 8.1241 8.1241 k = 0.0000 0.8122 0.1226 ( 4368 PWs) bands (ev): -10.0079 -10.0079 -9.9902 -9.9902 -9.5595 -9.5595 -9.5556 -9.5556 -9.4931 -9.4931 -9.4829 -9.4829 -8.7180 -8.7180 -8.7067 -8.7067 -8.6964 -8.6964 -8.6770 -8.6770 -8.6516 -8.6516 -8.6341 -8.6341 -0.6456 -0.6456 0.0385 0.0385 1.6162 1.6162 1.7999 1.7999 1.8860 1.8860 2.0243 2.0243 3.3981 3.3981 4.3170 4.3170 6.4732 6.4732 7.0729 7.0729 7.7375 7.7375 8.0885 8.0885 k = 0.0000 0.8122 0.1430 ( 4368 PWs) bands (ev): -10.0105 -10.0105 -9.9928 -9.9928 -9.5593 -9.5593 -9.5551 -9.5551 -9.4918 -9.4918 -9.4802 -9.4802 -8.7181 -8.7181 -8.7061 -8.7061 -8.6947 -8.6947 -8.6770 -8.6770 -8.6519 -8.6519 -8.6320 -8.6320 -0.6300 -0.6300 0.0517 0.0517 1.5812 1.5812 1.7729 1.7729 1.8831 1.8831 2.0327 2.0327 3.3873 3.3873 4.2496 4.2496 6.5155 6.5155 7.1100 7.1100 7.7837 7.7837 8.0568 8.0568 k = 0.0000 0.8122 0.1635 ( 4366 PWs) bands (ev): -10.0134 -10.0134 -9.9956 -9.9956 -9.5591 -9.5591 -9.5545 -9.5545 -9.4902 -9.4902 -9.4773 -9.4773 -8.7181 -8.7181 -8.7056 -8.7056 -8.6928 -8.6928 -8.6769 -8.6769 -8.6518 -8.6518 -8.6299 -8.6299 -0.6120 -0.6120 0.0669 0.0669 1.5441 1.5441 1.7432 1.7432 1.8791 1.8791 2.0397 2.0397 3.3747 3.3747 4.1764 4.1764 6.5632 6.5632 7.1509 7.1509 7.8258 7.8258 8.0343 8.0343 k = 0.0000 0.8122 0.1839 ( 4360 PWs) bands (ev): -10.0165 -10.0165 -9.9988 -9.9988 -9.5588 -9.5588 -9.5538 -9.5538 -9.4884 -9.4884 -9.4742 -9.4742 -8.7179 -8.7179 -8.7051 -8.7051 -8.6909 -8.6909 -8.6769 -8.6769 -8.6514 -8.6514 -8.6276 -8.6276 -0.5917 -0.5917 0.0840 0.0840 1.5051 1.5051 1.7113 1.7113 1.8739 1.8739 2.0452 2.0452 3.3602 3.3602 4.0987 4.0987 6.6161 6.6161 7.1947 7.1947 7.8548 7.8548 8.0300 8.0300 k = 0.0000 0.8122 0.2043 ( 4358 PWs) bands (ev): -10.0199 -10.0199 -10.0022 -10.0022 -9.5586 -9.5586 -9.5531 -9.5531 -9.4864 -9.4864 -9.4709 -9.4709 -8.7177 -8.7177 -8.7046 -8.7046 -8.6892 -8.6892 -8.6768 -8.6768 -8.6506 -8.6506 -8.6253 -8.6253 -0.5691 -0.5691 0.1030 0.1030 1.4648 1.4648 1.6775 1.6775 1.8675 1.8675 2.0488 2.0488 3.3440 3.3440 4.0177 4.0177 6.6736 6.6736 7.2402 7.2402 7.8637 7.8637 8.0506 8.0506 k = 0.0000 0.8122 0.2248 ( 4356 PWs) bands (ev): -10.0234 -10.0234 -10.0058 -10.0058 -9.5584 -9.5584 -9.5524 -9.5524 -9.4842 -9.4842 -9.4676 -9.4676 -8.7173 -8.7173 -8.7041 -8.7041 -8.6876 -8.6876 -8.6767 -8.6767 -8.6494 -8.6494 -8.6230 -8.6230 -0.5442 -0.5442 0.1240 0.1240 1.4234 1.4234 1.6422 1.6422 1.8598 1.8598 2.0503 2.0503 3.3260 3.3260 3.9346 3.9346 6.7352 6.7352 7.2862 7.2862 7.8595 7.8595 8.0890 8.0890 k = 0.0000 0.8122 0.2452 ( 4354 PWs) bands (ev): -10.0270 -10.0270 -10.0096 -10.0096 -9.5582 -9.5582 -9.5517 -9.5517 -9.4817 -9.4817 -9.4641 -9.4641 -8.7169 -8.7169 -8.7036 -8.7036 -8.6864 -8.6864 -8.6765 -8.6765 -8.6477 -8.6477 -8.6206 -8.6206 -0.5170 -0.5170 0.1468 0.1468 1.3812 1.3812 1.6058 1.6058 1.8507 1.8507 2.0495 2.0495 3.3065 3.3065 3.8504 3.8504 6.8005 6.8005 7.3311 7.3311 7.8532 7.8532 8.1343 8.1343 k = 0.0000 0.8122 0.2656 ( 4354 PWs) bands (ev): -10.0308 -10.0308 -10.0136 -10.0136 -9.5579 -9.5579 -9.5511 -9.5511 -9.4791 -9.4791 -9.4606 -9.4606 -8.7165 -8.7165 -8.7031 -8.7031 -8.6855 -8.6855 -8.6762 -8.6762 -8.6456 -8.6456 -8.6182 -8.6182 -0.4877 -0.4877 0.1715 0.1715 1.3385 1.3385 1.5687 1.5687 1.8403 1.8403 2.0462 2.0462 3.2855 3.2855 3.7661 3.7661 6.8690 6.8690 7.3730 7.3730 7.8514 7.8514 8.1801 8.1801 k = 0.0000 0.8122 0.2861 ( 4352 PWs) bands (ev): -10.0345 -10.0345 -10.0177 -10.0177 -9.5577 -9.5577 -9.5505 -9.5505 -9.4763 -9.4763 -9.4571 -9.4571 -8.7160 -8.7160 -8.7026 -8.7026 -8.6849 -8.6849 -8.6758 -8.6758 -8.6431 -8.6431 -8.6157 -8.6157 -0.4561 -0.4561 0.1979 0.1979 1.2954 1.2954 1.5312 1.5312 1.8283 1.8283 2.0401 2.0401 3.2634 3.2634 3.6828 3.6828 6.9400 6.9400 7.4100 7.4100 7.8579 7.8579 8.2230 8.2230 k = 0.0000 0.8122 0.3065 ( 4364 PWs) bands (ev): -10.0383 -10.0383 -10.0219 -10.0219 -9.5575 -9.5575 -9.5500 -9.5500 -9.4735 -9.4735 -9.4537 -9.4537 -8.7156 -8.7156 -8.7021 -8.7021 -8.6846 -8.6846 -8.6753 -8.6753 -8.6403 -8.6403 -8.6132 -8.6132 -0.4224 -0.4224 0.2261 0.2261 1.2523 1.2523 1.4936 1.4936 1.8146 1.8146 2.0310 2.0310 3.2402 3.2402 3.6013 3.6013 7.0130 7.0130 7.4410 7.4410 7.8744 7.8744 8.2613 8.2613 k = 0.0000 0.8122 0.3269 ( 4358 PWs) bands (ev): -10.0421 -10.0421 -10.0261 -10.0261 -9.5572 -9.5572 -9.5495 -9.5495 -9.4704 -9.4704 -9.4504 -9.4504 -8.7150 -8.7150 -8.7016 -8.7016 -8.6845 -8.6845 -8.6747 -8.6747 -8.6371 -8.6371 -8.6107 -8.6107 -0.3866 -0.3866 0.2560 0.2560 1.2093 1.2093 1.4564 1.4564 1.7993 1.7993 2.0186 2.0186 3.2164 3.2164 3.5225 3.5225 7.0874 7.0874 7.4656 7.4656 7.9009 7.9009 8.2938 8.2938 k = 0.0000 0.8122 0.3474 ( 4350 PWs) bands (ev): -10.0458 -10.0458 -10.0303 -10.0303 -9.5568 -9.5568 -9.5491 -9.5491 -9.4672 -9.4672 -9.4471 -9.4471 -8.7145 -8.7145 -8.7011 -8.7011 -8.6845 -8.6845 -8.6741 -8.6741 -8.6337 -8.6337 -8.6081 -8.6081 -0.3488 -0.3488 0.2875 0.2875 1.1665 1.1665 1.4197 1.4197 1.7822 1.7822 2.0027 2.0027 3.1920 3.1920 3.4471 3.4471 7.1624 7.1624 7.4850 7.4850 7.9359 7.9359 8.3199 8.3199 k = 0.0000 0.8122 0.3678 ( 4348 PWs) bands (ev): -10.0494 -10.0494 -10.0345 -10.0345 -9.5565 -9.5565 -9.5487 -9.5487 -9.4641 -9.4641 -9.4440 -9.4440 -8.7140 -8.7140 -8.7007 -8.7007 -8.6845 -8.6845 -8.6736 -8.6736 -8.6301 -8.6301 -8.6056 -8.6056 -0.3091 -0.3091 0.3205 0.3205 1.1242 1.1242 1.3838 1.3838 1.7633 1.7633 1.9831 1.9831 3.1675 3.1675 3.3760 3.3760 7.2373 7.2373 7.5010 7.5010 7.9772 7.9772 8.3394 8.3394 k = 0.0000 0.8122 0.3882 ( 4346 PWs) bands (ev): -10.0528 -10.0528 -10.0387 -10.0387 -9.5562 -9.5562 -9.5485 -9.5485 -9.4609 -9.4609 -9.4410 -9.4410 -8.7135 -8.7135 -8.7004 -8.7004 -8.6844 -8.6844 -8.6731 -8.6731 -8.6265 -8.6265 -8.6032 -8.6032 -0.2675 -0.2675 0.3550 0.3550 1.0823 1.0823 1.3491 1.3491 1.7425 1.7425 1.9595 1.9595 3.1431 3.1431 3.3098 3.3098 7.3108 7.3108 7.5162 7.5162 8.0220 8.0220 8.3525 8.3525 k = 0.0000 0.8122 0.4086 ( 4340 PWs) bands (ev): -10.0562 -10.0562 -10.0427 -10.0427 -9.5558 -9.5558 -9.5483 -9.5483 -9.4576 -9.4576 -9.4382 -9.4382 -8.7130 -8.7130 -8.7002 -8.7002 -8.6842 -8.6842 -8.6727 -8.6727 -8.6228 -8.6228 -8.6008 -8.6008 -0.2241 -0.2241 0.3909 0.3909 1.0411 1.0411 1.3156 1.3156 1.7200 1.7200 1.9320 1.9320 3.1191 3.1191 3.2489 3.2489 7.3808 7.3808 7.5334 7.5334 8.0676 8.0676 8.3597 8.3597 k = 0.0000 0.8122 0.4291 ( 4344 PWs) bands (ev): -10.0593 -10.0593 -10.0466 -10.0466 -9.5554 -9.5554 -9.5481 -9.5481 -9.4545 -9.4545 -9.4357 -9.4357 -8.7126 -8.7126 -8.7001 -8.7001 -8.6840 -8.6840 -8.6724 -8.6724 -8.6191 -8.6191 -8.5985 -8.5985 -0.1791 -0.1791 0.4280 0.4280 1.0005 1.0005 1.2836 1.2836 1.6957 1.6957 1.9006 1.9006 3.0956 3.0956 3.1938 3.1938 7.4433 7.4433 7.5573 7.5573 8.1118 8.1118 8.3621 8.3621 k = 0.0000 0.8122 0.4495 ( 4338 PWs) bands (ev): -10.0623 -10.0623 -10.0504 -10.0504 -9.5551 -9.5551 -9.5480 -9.5480 -9.4513 -9.4513 -9.4333 -9.4333 -8.7121 -8.7121 -8.7002 -8.7002 -8.6836 -8.6836 -8.6722 -8.6722 -8.6154 -8.6154 -8.5963 -8.5963 -0.1325 -0.1325 0.4663 0.4663 0.9605 0.9605 1.2532 1.2532 1.6699 1.6699 1.8655 1.8655 3.0729 3.0729 3.1447 3.1447 7.4914 7.4914 7.5946 7.5946 8.1522 8.1522 8.3612 8.3612 k = 0.0000 0.8122 0.4699 ( 4344 PWs) bands (ev): -10.0651 -10.0651 -10.0540 -10.0540 -9.5547 -9.5547 -9.5481 -9.5481 -9.4483 -9.4483 -9.4312 -9.4312 -8.7117 -8.7117 -8.7004 -8.7004 -8.6831 -8.6831 -8.6720 -8.6720 -8.6118 -8.6118 -8.5942 -8.5942 -0.0846 -0.0846 0.5055 0.5055 0.9212 0.9212 1.2245 1.2245 1.6427 1.6427 1.8273 1.8273 3.0511 3.0511 3.1018 3.1018 7.5241 7.5241 7.6460 7.6460 8.1860 8.1860 8.3594 8.3594 k = 0.0000 0.8122 0.4904 ( 4342 PWs) bands (ev): -10.0676 -10.0676 -10.0575 -10.0575 -9.5543 -9.5543 -9.5481 -9.5481 -9.4453 -9.4453 -9.4293 -9.4293 -8.7112 -8.7112 -8.7007 -8.7007 -8.6824 -8.6824 -8.6719 -8.6719 -8.6084 -8.6084 -8.5923 -8.5923 -0.0355 -0.0355 0.5456 0.5456 0.8826 0.8826 1.1974 1.1974 1.6145 1.6145 1.7864 1.7864 3.0302 3.0302 3.0649 3.0649 7.5490 7.5490 7.7031 7.7031 8.2106 8.2106 8.3598 8.3598 k = 0.0000 0.8122 0.5108 ( 4346 PWs) bands (ev): -10.0699 -10.0699 -10.0607 -10.0607 -9.5539 -9.5539 -9.5482 -9.5482 -9.4425 -9.4425 -9.4277 -9.4277 -8.7107 -8.7107 -8.7011 -8.7011 -8.6818 -8.6818 -8.6719 -8.6719 -8.6051 -8.6051 -8.5905 -8.5905 0.0147 0.0147 0.5860 0.5860 0.8445 0.8445 1.1721 1.1721 1.5858 1.5858 1.7438 1.7438 3.0103 3.0103 3.0341 3.0341 7.5719 7.5719 7.7590 7.7590 8.2242 8.2242 8.3650 8.3650 k = 0.0000 0.8122 0.5312 ( 4346 PWs) bands (ev): -10.0719 -10.0719 -10.0637 -10.0637 -9.5535 -9.5535 -9.5483 -9.5483 -9.4398 -9.4398 -9.4263 -9.4263 -8.7103 -8.7103 -8.7016 -8.7016 -8.6810 -8.6810 -8.6720 -8.6720 -8.6019 -8.6019 -8.5890 -8.5890 0.0657 0.0657 0.6265 0.6265 0.8072 0.8072 1.1481 1.1481 1.5570 1.5570 1.7002 1.7002 2.9912 2.9912 3.0091 3.0091 7.5949 7.5949 7.8096 7.8096 8.2285 8.2285 8.3747 8.3747 k = 0.0000 0.8122 0.5517 ( 4344 PWs) bands (ev): -10.0737 -10.0737 -10.0664 -10.0664 -9.5531 -9.5531 -9.5485 -9.5485 -9.4372 -9.4372 -9.4252 -9.4252 -8.7098 -8.7098 -8.7021 -8.7021 -8.6802 -8.6802 -8.6721 -8.6721 -8.5990 -8.5990 -8.5876 -8.5876 0.1172 0.1172 0.6652 0.6652 0.7719 0.7719 1.1254 1.1254 1.5290 1.5290 1.6567 1.6567 2.9735 2.9735 2.9891 2.9891 7.6191 7.6191 7.8514 7.8514 8.2291 8.2291 8.3857 8.3857 k = 0.0000 0.8122 0.5721 ( 4342 PWs) bands (ev): -10.0752 -10.0752 -10.0689 -10.0689 -9.5527 -9.5527 -9.5487 -9.5487 -9.4348 -9.4348 -9.4244 -9.4244 -8.7093 -8.7093 -8.7026 -8.7026 -8.6794 -8.6794 -8.6723 -8.6723 -8.5963 -8.5963 -8.5866 -8.5866 0.1690 0.1690 0.6924 0.6924 0.7479 0.7479 1.1034 1.1034 1.5026 1.5026 1.6143 1.6143 2.9579 2.9579 2.9729 2.9729 7.6446 7.6446 7.8814 7.8814 8.2318 8.2318 8.3948 8.3948 k = 0.0000 0.8122 0.5925 ( 4340 PWs) bands (ev): -10.0763 -10.0763 -10.0711 -10.0711 -9.5523 -9.5523 -9.5489 -9.5489 -9.4327 -9.4327 -9.4238 -9.4238 -8.7088 -8.7088 -8.7032 -8.7032 -8.6786 -8.6786 -8.6726 -8.6726 -8.5938 -8.5938 -8.5857 -8.5857 0.2208 0.2208 0.6767 0.6767 0.7659 0.7659 1.0816 1.0816 1.4789 1.4789 1.5741 1.5741 2.9453 2.9453 2.9595 2.9595 7.6716 7.6716 7.8972 7.8972 8.2407 8.2407 8.4002 8.4002 k = 0.0000 0.8122 0.6130 ( 4338 PWs) bands (ev): -10.0772 -10.0772 -10.0730 -10.0730 -9.5519 -9.5519 -9.5492 -9.5492 -9.4307 -9.4307 -9.4235 -9.4235 -8.7083 -8.7083 -8.7038 -8.7038 -8.6777 -8.6777 -8.6729 -8.6729 -8.5917 -8.5917 -8.5852 -8.5852 0.2723 0.2723 0.6409 0.6409 0.8025 0.8025 1.0591 1.0591 1.4593 1.4593 1.5373 1.5373 2.9356 2.9356 2.9483 2.9483 7.6998 7.6998 7.8988 7.8988 8.2571 8.2571 8.4006 8.4006 k = 0.0000 0.8122 0.6334 ( 4336 PWs) bands (ev): -10.0778 -10.0778 -10.0746 -10.0746 -9.5515 -9.5515 -9.5494 -9.5494 -9.4289 -9.4289 -9.4235 -9.4235 -8.7078 -8.7078 -8.7044 -8.7044 -8.6770 -8.6770 -8.6733 -8.6733 -8.5898 -8.5898 -8.5849 -8.5849 0.3232 0.3232 0.6010 0.6010 0.8411 0.8411 1.0352 1.0352 1.4449 1.4449 1.5047 1.5047 2.9288 2.9288 2.9392 2.9392 7.7290 7.7290 7.8886 7.8886 8.2791 8.2791 8.3959 8.3959 k = 0.0000 0.8122 0.6538 ( 4338 PWs) bands (ev): -10.0780 -10.0780 -10.0759 -10.0759 -9.5512 -9.5512 -9.5497 -9.5497 -9.4274 -9.4274 -9.4237 -9.4237 -8.7073 -8.7073 -8.7050 -8.7050 -8.6762 -8.6762 -8.6738 -8.6738 -8.5882 -8.5882 -8.5849 -8.5849 0.3732 0.3732 0.5589 0.5589 0.8789 0.8789 1.0092 1.0092 1.4369 1.4369 1.4775 1.4775 2.9248 2.9248 2.9321 2.9321 7.7589 7.7589 7.8699 7.8699 8.3039 8.3039 8.3858 8.3858 k = 0.0000 0.8122 0.6743 ( 4342 PWs) bands (ev): -10.0780 -10.0780 -10.0769 -10.0769 -9.5508 -9.5508 -9.5501 -9.5501 -9.4261 -9.4261 -9.4243 -9.4243 -8.7067 -8.7067 -8.7056 -8.7056 -8.6756 -8.6756 -8.6743 -8.6743 -8.5869 -8.5869 -8.5853 -8.5853 0.4219 0.4219 0.5149 0.5149 0.9152 0.9152 0.9806 0.9806 1.4360 1.4360 1.4566 1.4566 2.9232 2.9232 2.9270 2.9270 7.7888 7.7888 7.8456 7.8456 8.3287 8.3287 8.3709 8.3709 k = 0.0000 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0776 -10.0776 -10.0776 -10.0776 -9.5505 -9.5505 -9.5505 -9.5505 -9.4251 -9.4251 -9.4251 -9.4251 -8.7062 -8.7062 -8.7062 -8.7062 -8.6749 -8.6749 -8.6749 -8.6749 -8.5860 -8.5860 -8.5860 -8.5860 0.4692 0.4692 0.4692 0.4692 0.9492 0.9492 0.9492 0.9492 1.4426 1.4426 1.4426 1.4426 2.9240 2.9240 2.9240 2.9240 7.8181 7.8181 7.8181 7.8181 8.3515 8.3515 8.3515 8.3515 k = 0.0000 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0776 -10.0776 -10.0776 -10.0776 -9.5505 -9.5505 -9.5505 -9.5505 -9.4251 -9.4251 -9.4251 -9.4251 -8.7062 -8.7062 -8.7062 -8.7062 -8.6749 -8.6749 -8.6749 -8.6749 -8.5860 -8.5860 -8.5860 -8.5860 0.4692 0.4692 0.4692 0.4692 0.9492 0.9492 0.9492 0.9492 1.4426 1.4426 1.4426 1.4426 2.9240 2.9240 2.9240 2.9240 7.8181 7.8181 7.8181 7.8181 8.3515 8.3515 8.3515 8.3515 k = 0.0200 0.8122 0.6947 ( 4338 PWs) bands (ev): -10.0778 -10.0778 -10.0773 -10.0773 -9.5511 -9.5511 -9.5497 -9.5497 -9.4266 -9.4266 -9.4236 -9.4236 -8.7064 -8.7064 -8.7059 -8.7059 -8.6756 -8.6756 -8.6742 -8.6742 -8.5860 -8.5860 -8.5859 -8.5859 0.4695 0.4695 0.4703 0.4703 0.9423 0.9423 0.9474 0.9474 1.4423 1.4423 1.4508 1.4508 2.9228 2.9228 2.9263 2.9263 7.7938 7.7938 7.8316 7.8316 8.3388 8.3388 8.3754 8.3754 k = 0.0399 0.8122 0.6947 ( 4340 PWs) bands (ev): -10.0780 -10.0780 -10.0770 -10.0770 -9.5518 -9.5518 -9.5490 -9.5490 -9.4281 -9.4281 -9.4222 -9.4222 -8.7066 -8.7066 -8.7057 -8.7057 -8.6763 -8.6763 -8.6735 -8.6735 -8.5862 -8.5862 -8.5859 -8.5859 0.4711 0.4711 0.4728 0.4728 0.9275 0.9275 0.9371 0.9371 1.4498 1.4498 1.4662 1.4662 2.9227 2.9227 2.9297 2.9297 7.7615 7.7615 7.8325 7.8325 8.3391 8.3391 8.4078 8.4078 k = 0.0599 0.8122 0.6947 ( 4340 PWs) bands (ev): -10.0781 -10.0781 -10.0767 -10.0767 -9.5524 -9.5524 -9.5483 -9.5483 -9.4296 -9.4296 -9.4210 -9.4210 -8.7068 -8.7068 -8.7055 -8.7055 -8.6769 -8.6769 -8.6729 -8.6729 -8.5864 -8.5864 -8.5860 -8.5860 0.4740 0.4740 0.4765 0.4765 0.9064 0.9064 0.9195 0.9195 1.4639 1.4639 1.4871 1.4871 2.9237 2.9237 2.9342 2.9342 7.7238 7.7238 7.8212 7.8212 8.3517 8.3517 8.4457 8.4457 k = 0.0799 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0782 -10.0782 -10.0763 -10.0763 -9.5530 -9.5530 -9.5476 -9.5476 -9.4312 -9.4312 -9.4198 -9.4198 -8.7070 -8.7070 -8.7053 -8.7053 -8.6776 -8.6776 -8.6722 -8.6722 -8.5867 -8.5867 -8.5862 -8.5862 0.4781 0.4781 0.4814 0.4814 0.8806 0.8806 0.8961 0.8961 1.4830 1.4830 1.5119 1.5119 2.9259 2.9259 2.9398 2.9398 7.6832 7.6832 7.8001 7.8001 8.3744 8.3744 8.4868 8.4868 k = 0.0999 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0782 -10.0782 -10.0759 -10.0759 -9.5536 -9.5536 -9.5469 -9.5469 -9.4326 -9.4326 -9.4187 -9.4187 -8.7071 -8.7071 -8.7052 -8.7052 -8.6782 -8.6782 -8.6716 -8.6716 -8.5870 -8.5870 -8.5864 -8.5864 0.4833 0.4833 0.4874 0.4874 0.8517 0.8517 0.8687 0.8687 1.5054 1.5054 1.5390 1.5390 2.9294 2.9294 2.9465 2.9465 7.6413 7.6413 7.7721 7.7721 8.4039 8.4039 8.5289 8.5289 k = 0.1198 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0782 -10.0782 -10.0755 -10.0755 -9.5541 -9.5541 -9.5463 -9.5463 -9.4341 -9.4341 -9.4178 -9.4178 -8.7073 -8.7073 -8.7050 -8.7050 -8.6788 -8.6788 -8.6711 -8.6711 -8.5874 -8.5874 -8.5867 -8.5867 0.4893 0.4893 0.4942 0.4942 0.8211 0.8211 0.8390 0.8390 1.5296 1.5296 1.5671 1.5671 2.9340 2.9340 2.9542 2.9542 7.5995 7.5995 7.7401 7.7401 8.4370 8.4370 8.5706 8.5706 k = 0.1398 0.8122 0.6947 ( 4350 PWs) bands (ev): -10.0781 -10.0781 -10.0751 -10.0751 -9.5546 -9.5546 -9.5457 -9.5457 -9.4354 -9.4354 -9.4171 -9.4171 -8.7075 -8.7075 -8.7049 -8.7049 -8.6792 -8.6792 -8.6706 -8.6706 -8.5878 -8.5878 -8.5870 -8.5870 0.4958 0.4958 0.5016 0.5016 0.7901 0.7901 0.8084 0.8084 1.5543 1.5543 1.5950 1.5950 2.9400 2.9400 2.9631 2.9631 7.5588 7.5588 7.7063 7.7063 8.4713 8.4713 8.6107 8.6107 k = 0.1598 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0779 -10.0779 -10.0746 -10.0746 -9.5549 -9.5549 -9.5451 -9.5451 -9.4366 -9.4366 -9.4164 -9.4164 -8.7076 -8.7076 -8.7047 -8.7047 -8.6796 -8.6796 -8.6701 -8.6701 -8.5882 -8.5882 -8.5874 -8.5874 0.5024 0.5024 0.5089 0.5089 0.7600 0.7600 0.7783 0.7783 1.5785 1.5785 1.6220 1.6220 2.9472 2.9472 2.9730 2.9730 7.5199 7.5199 7.6723 7.6723 8.5049 8.5049 8.6480 8.6480 k = 0.1798 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0777 -10.0777 -10.0742 -10.0742 -9.5553 -9.5553 -9.5446 -9.5446 -9.4377 -9.4377 -9.4160 -9.4160 -8.7077 -8.7077 -8.7046 -8.7046 -8.6800 -8.6800 -8.6697 -8.6697 -8.5886 -8.5886 -8.5879 -8.5879 0.5080 0.5080 0.5153 0.5153 0.7321 0.7321 0.7502 0.7502 1.6016 1.6016 1.6472 1.6472 2.9557 2.9557 2.9838 2.9838 7.4834 7.4834 7.6394 7.6394 8.5362 8.5362 8.6817 8.6817 k = 0.1997 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0774 -10.0774 -10.0738 -10.0738 -9.5556 -9.5556 -9.5442 -9.5442 -9.4387 -9.4387 -9.4158 -9.4158 -8.7078 -8.7078 -8.7045 -8.7045 -8.6803 -8.6803 -8.6693 -8.6693 -8.5890 -8.5890 -8.5883 -8.5883 0.5114 0.5114 0.5194 0.5194 0.7081 0.7081 0.7259 0.7259 1.6228 1.6228 1.6704 1.6704 2.9652 2.9652 2.9954 2.9954 7.4501 7.4501 7.6084 7.6084 8.5642 8.5642 8.7110 8.7110 k = 0.2197 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0771 -10.0771 -10.0735 -10.0735 -9.5558 -9.5558 -9.5439 -9.5439 -9.4395 -9.4395 -9.4157 -9.4157 -8.7079 -8.7079 -8.7045 -8.7045 -8.6805 -8.6805 -8.6691 -8.6691 -8.5895 -8.5895 -8.5889 -8.5889 0.5107 0.5107 0.5194 0.5194 0.6903 0.6903 0.7078 0.7078 1.6419 1.6419 1.6910 1.6910 2.9758 2.9758 3.0077 3.0077 7.4202 7.4202 7.5801 7.5801 8.5879 8.5879 8.7353 8.7353 k = 0.2397 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0767 -10.0767 -10.0731 -10.0731 -9.5560 -9.5560 -9.5436 -9.5436 -9.4401 -9.4401 -9.4158 -9.4158 -8.7080 -8.7080 -8.7044 -8.7044 -8.6807 -8.6807 -8.6689 -8.6689 -8.5900 -8.5900 -8.5895 -8.5895 0.5042 0.5042 0.5134 0.5134 0.6806 0.6806 0.6978 0.6978 1.6586 1.6586 1.7088 1.7088 2.9870 2.9870 3.0203 3.0203 7.3943 7.3943 7.5551 7.5551 8.6068 8.6068 8.7543 8.7543 k = 0.2597 0.8122 0.6947 ( 4334 PWs) bands (ev): -10.0763 -10.0763 -10.0728 -10.0728 -9.5561 -9.5561 -9.5435 -9.5435 -9.4405 -9.4405 -9.4161 -9.4161 -8.7080 -8.7080 -8.7044 -8.7044 -8.6807 -8.6807 -8.6688 -8.6688 -8.5904 -8.5904 -8.5900 -8.5900 0.4915 0.4915 0.5010 0.5010 0.6795 0.6795 0.6966 0.6966 1.6727 1.6727 1.7237 1.7237 2.9988 2.9988 3.0331 3.0331 7.3727 7.3727 7.5338 7.5338 8.6204 8.6204 8.7676 8.7676 k = 0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0758 -10.0758 -10.0726 -10.0726 -9.5562 -9.5562 -9.5434 -9.5434 -9.4407 -9.4407 -9.4166 -9.4166 -8.7080 -8.7080 -8.7045 -8.7045 -8.6806 -8.6806 -8.6688 -8.6688 -8.5908 -8.5908 -8.5907 -8.5907 0.4738 0.4738 0.4833 0.4833 0.6859 0.6859 0.7031 0.7031 1.6841 1.6841 1.7356 1.7356 3.0108 3.0108 3.0456 3.0456 7.3557 7.3557 7.5167 7.5167 8.6286 8.6286 8.7752 8.7752 k = 0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0758 -10.0758 -10.0726 -10.0726 -9.5562 -9.5562 -9.5434 -9.5434 -9.4407 -9.4407 -9.4166 -9.4166 -8.7080 -8.7080 -8.7045 -8.7045 -8.6806 -8.6806 -8.6688 -8.6688 -8.5908 -8.5908 -8.5907 -8.5907 0.4738 0.4738 0.4833 0.4833 0.6859 0.6859 0.7031 0.7031 1.6841 1.6841 1.7356 1.7356 3.0108 3.0108 3.0456 3.0456 7.3557 7.3557 7.5167 7.5167 8.6286 8.6286 8.7752 8.7752 k = 0.2730 0.7928 0.6947 ( 4330 PWs) bands (ev): -10.0773 -10.0773 -10.0732 -10.0732 -9.5561 -9.5561 -9.5433 -9.5433 -9.4405 -9.4405 -9.4148 -9.4148 -8.7079 -8.7079 -8.7043 -8.7043 -8.6809 -8.6809 -8.6687 -8.6687 -8.5896 -8.5896 -8.5888 -8.5888 0.5344 0.5344 0.5449 0.5449 0.6574 0.6574 0.6729 0.6729 1.6530 1.6530 1.7030 1.7030 2.9745 2.9745 3.0080 3.0080 7.4013 7.4013 7.5635 7.5635 8.6116 8.6116 8.7603 8.7603 k = 0.2663 0.7735 0.6947 ( 4338 PWs) bands (ev): -10.0785 -10.0785 -10.0737 -10.0737 -9.5560 -9.5560 -9.5434 -9.5434 -9.4405 -9.4405 -9.4132 -9.4132 -8.7079 -8.7079 -8.7042 -8.7042 -8.6812 -8.6812 -8.6687 -8.6687 -8.5887 -8.5887 -8.5872 -8.5872 0.5879 0.5879 0.6057 0.6057 0.6369 0.6369 0.6440 0.6440 1.6236 1.6236 1.6715 1.6715 2.9408 2.9408 2.9727 2.9727 7.4465 7.4465 7.6099 7.6099 8.5949 8.5949 8.7453 8.7453 k = 0.2597 0.7541 0.6947 ( 4346 PWs) bands (ev): -10.0797 -10.0797 -10.0740 -10.0740 -9.5560 -9.5560 -9.5434 -9.5434 -9.4407 -9.4407 -9.4119 -9.4119 -8.7079 -8.7079 -8.7041 -8.7041 -8.6815 -8.6815 -8.6687 -8.6687 -8.5880 -8.5880 -8.5859 -8.5859 0.5902 0.5902 0.6148 0.6148 0.6666 0.6666 0.6677 0.6677 1.5967 1.5967 1.6420 1.6420 2.9096 2.9096 2.9399 2.9399 7.4914 7.4914 7.6555 7.6555 8.5786 8.5786 8.7304 8.7304 k = 0.2530 0.7348 0.6947 ( 4342 PWs) bands (ev): -10.0806 -10.0806 -10.0742 -10.0742 -9.5559 -9.5559 -9.5434 -9.5434 -9.4411 -9.4411 -9.4107 -9.4107 -8.7078 -8.7078 -8.7040 -8.7040 -8.6817 -8.6817 -8.6688 -8.6688 -8.5875 -8.5875 -8.5847 -8.5847 0.5662 0.5662 0.5873 0.5873 0.7242 0.7242 0.7246 0.7246 1.5731 1.5731 1.6150 1.6150 2.8812 2.8812 2.9096 2.9096 7.5356 7.5356 7.7003 7.7003 8.5630 8.5630 8.7156 8.7156 k = 0.2463 0.7155 0.6947 ( 4342 PWs) bands (ev): -10.0814 -10.0814 -10.0742 -10.0742 -9.5559 -9.5559 -9.5434 -9.5434 -9.4418 -9.4418 -9.4098 -9.4098 -8.7077 -8.7077 -8.7040 -8.7040 -8.6820 -8.6820 -8.6689 -8.6689 -8.5873 -8.5873 -8.5839 -8.5839 0.5402 0.5402 0.5599 0.5599 0.7804 0.7804 0.7813 0.7813 1.5539 1.5539 1.5915 1.5915 2.8557 2.8557 2.8821 2.8821 7.5790 7.5790 7.7439 7.7439 8.5480 8.5480 8.7011 8.7011 k = 0.2397 0.6961 0.6947 ( 4338 PWs) bands (ev): -10.0820 -10.0820 -10.0740 -10.0740 -9.5559 -9.5559 -9.5434 -9.5434 -9.4427 -9.4427 -9.4092 -9.4092 -8.7076 -8.7076 -8.7040 -8.7040 -8.6823 -8.6823 -8.6691 -8.6691 -8.5874 -8.5874 -8.5833 -8.5833 0.5138 0.5138 0.5326 0.5326 0.8328 0.8328 0.8364 0.8364 1.5400 1.5400 1.5722 1.5722 2.8332 2.8332 2.8574 2.8574 7.6215 7.6215 7.7863 7.7863 8.5338 8.5338 8.6870 8.6870 k = 0.2330 0.6768 0.6947 ( 4342 PWs) bands (ev): -10.0824 -10.0824 -10.0737 -10.0737 -9.5559 -9.5559 -9.5434 -9.5434 -9.4438 -9.4438 -9.4088 -9.4088 -8.7076 -8.7076 -8.7041 -8.7041 -8.6827 -8.6827 -8.6694 -8.6694 -8.5877 -8.5877 -8.5830 -8.5830 0.4871 0.4871 0.5050 0.5050 0.8810 0.8810 0.8883 0.8883 1.5324 1.5324 1.5581 1.5581 2.8139 2.8139 2.8358 2.8358 7.6629 7.6629 7.8271 7.8271 8.5206 8.5206 8.6734 8.6734 k = 0.2264 0.6575 0.6947 ( 4350 PWs) bands (ev): -10.0827 -10.0827 -10.0733 -10.0733 -9.5560 -9.5560 -9.5435 -9.5435 -9.4452 -9.4452 -9.4087 -9.4087 -8.7075 -8.7075 -8.7043 -8.7043 -8.6830 -8.6830 -8.6698 -8.6698 -8.5883 -8.5883 -8.5831 -8.5831 0.4599 0.4599 0.4769 0.4769 0.9243 0.9243 0.9363 0.9363 1.5320 1.5320 1.5500 1.5500 2.7981 2.7981 2.8175 2.8175 7.7030 7.7030 7.8660 7.8660 8.5086 8.5086 8.6604 8.6604 k = 0.2197 0.6381 0.6947 ( 4358 PWs) bands (ev): -10.0828 -10.0828 -10.0727 -10.0727 -9.5561 -9.5561 -9.5436 -9.5436 -9.4467 -9.4467 -9.4089 -9.4089 -8.7075 -8.7075 -8.7045 -8.7045 -8.6834 -8.6834 -8.6702 -8.6702 -8.5891 -8.5891 -8.5833 -8.5833 0.4320 0.4320 0.4481 0.4481 0.9621 0.9621 0.9796 0.9796 1.5391 1.5391 1.5485 1.5485 2.7861 2.7861 2.8028 2.8028 7.7415 7.7415 7.9029 7.9029 8.4978 8.4978 8.6482 8.6482 k = 0.2131 0.6188 0.6947 ( 4362 PWs) bands (ev): -10.0828 -10.0828 -10.0720 -10.0720 -9.5563 -9.5563 -9.5437 -9.5437 -9.4485 -9.4485 -9.4092 -9.4092 -8.7074 -8.7074 -8.7047 -8.7047 -8.6837 -8.6837 -8.6707 -8.6707 -8.5901 -8.5901 -8.5838 -8.5838 0.4033 0.4033 0.4183 0.4183 0.9945 0.9945 1.0177 1.0177 1.5537 1.5537 1.5538 1.5538 2.7781 2.7781 2.7920 2.7920 7.7783 7.7783 7.9372 7.9372 8.4884 8.4884 8.6367 8.6367 k = 0.2064 0.5994 0.6947 ( 4362 PWs) bands (ev): -10.0826 -10.0826 -10.0711 -10.0711 -9.5564 -9.5564 -9.5438 -9.5438 -9.4504 -9.4504 -9.4099 -9.4099 -8.7073 -8.7073 -8.7049 -8.7049 -8.6841 -8.6841 -8.6713 -8.6713 -8.5914 -8.5914 -8.5846 -8.5846 0.3737 0.3737 0.3876 0.3876 1.0219 1.0219 1.0508 1.0508 1.5656 1.5656 1.5749 1.5749 2.7744 2.7744 2.7853 2.7853 7.8131 7.8131 7.9687 7.9687 8.4808 8.4808 8.6262 8.6262 k = 0.1997 0.5801 0.6947 ( 4354 PWs) bands (ev): -10.0822 -10.0822 -10.0701 -10.0701 -9.5565 -9.5565 -9.5439 -9.5439 -9.4524 -9.4524 -9.4107 -9.4107 -8.7072 -8.7072 -8.7052 -8.7052 -8.6844 -8.6844 -8.6719 -8.6719 -8.5928 -8.5928 -8.5855 -8.5855 0.3431 0.3431 0.3558 0.3558 1.0453 1.0453 1.0793 1.0793 1.5831 1.5831 1.6014 1.6014 2.7754 2.7754 2.7833 2.7833 7.8455 7.8455 7.9969 7.9969 8.4750 8.4750 8.6168 8.6168 k = 0.1931 0.5608 0.6947 ( 4354 PWs) bands (ev): -10.0816 -10.0816 -10.0690 -10.0690 -9.5566 -9.5566 -9.5440 -9.5440 -9.4546 -9.4546 -9.4118 -9.4118 -8.7071 -8.7071 -8.7055 -8.7055 -8.6847 -8.6847 -8.6726 -8.6726 -8.5944 -8.5944 -8.5867 -8.5867 0.3115 0.3115 0.3230 0.3230 1.0659 1.0659 1.1041 1.1041 1.6049 1.6049 1.6313 1.6313 2.7814 2.7814 2.7861 2.7861 7.8753 7.8753 8.0214 8.0214 8.4713 8.4713 8.6084 8.6084 k = 0.1864 0.5414 0.6947 ( 4354 PWs) bands (ev): -10.0809 -10.0809 -10.0677 -10.0677 -9.5568 -9.5568 -9.5442 -9.5442 -9.4569 -9.4569 -9.4132 -9.4132 -8.7070 -8.7070 -8.7059 -8.7059 -8.6850 -8.6850 -8.6733 -8.6733 -8.5961 -8.5961 -8.5882 -8.5882 0.2790 0.2790 0.2893 0.2893 1.0847 1.0847 1.1263 1.1263 1.6295 1.6295 1.6632 1.6632 2.7927 2.7927 2.7943 2.7943 7.9021 7.9021 8.0415 8.0415 8.4700 8.4700 8.6015 8.6015 k = 0.1798 0.5221 0.6947 ( 4348 PWs) bands (ev): -10.0801 -10.0801 -10.0664 -10.0664 -9.5570 -9.5570 -9.5443 -9.5443 -9.4593 -9.4593 -9.4147 -9.4147 -8.7068 -8.7068 -8.7063 -8.7063 -8.6854 -8.6854 -8.6740 -8.6740 -8.5980 -8.5980 -8.5898 -8.5898 0.2458 0.2458 0.2549 0.2549 1.1028 1.1028 1.1468 1.1468 1.6554 1.6554 1.6953 1.6953 2.8080 2.8080 2.8094 2.8094 7.9255 7.9255 8.0570 8.0570 8.4713 8.4713 8.5960 8.5960 k = 0.1731 0.5028 0.6947 ( 4352 PWs) bands (ev): -10.0791 -10.0791 -10.0650 -10.0650 -9.5572 -9.5572 -9.5446 -9.5446 -9.4619 -9.4619 -9.4165 -9.4165 -8.7068 -8.7068 -8.7067 -8.7067 -8.6857 -8.6857 -8.6749 -8.6749 -8.6001 -8.6001 -8.5916 -8.5916 0.2119 0.2119 0.2199 0.2199 1.1208 1.1208 1.1665 1.1665 1.6813 1.6813 1.7266 1.7266 2.8274 2.8274 2.8317 2.8317 7.9449 7.9449 8.0673 8.0673 8.4752 8.4752 8.5922 8.5922 k = 0.1665 0.4834 0.6947 ( 4344 PWs) bands (ev): -10.0780 -10.0780 -10.0635 -10.0635 -9.5574 -9.5574 -9.5448 -9.5448 -9.4645 -9.4645 -9.4185 -9.4185 -8.7073 -8.7073 -8.7066 -8.7066 -8.6860 -8.6860 -8.6758 -8.6758 -8.6022 -8.6022 -8.5935 -8.5935 0.1776 0.1776 0.1846 0.1846 1.1392 1.1392 1.1861 1.1861 1.7063 1.7063 1.7560 1.7560 2.8526 2.8526 2.8593 2.8593 7.9598 7.9598 8.0722 8.0722 8.4818 8.4818 8.5904 8.5904 k = 0.1598 0.4641 0.6947 ( 4348 PWs) bands (ev): -10.0767 -10.0767 -10.0619 -10.0619 -9.5577 -9.5577 -9.5451 -9.5451 -9.4672 -9.4672 -9.4207 -9.4207 -8.7079 -8.7079 -8.7065 -8.7065 -8.6863 -8.6863 -8.6768 -8.6768 -8.6044 -8.6044 -8.5956 -8.5956 0.1432 0.1432 0.1491 0.1491 1.1581 1.1581 1.2057 1.2057 1.7298 1.7298 1.7832 1.7832 2.8832 2.8832 2.8922 2.8922 7.9698 7.9698 8.0715 8.0715 8.4909 8.4909 8.5909 8.5909 k = 0.1531 0.4447 0.6947 ( 4352 PWs) bands (ev): -10.0754 -10.0754 -10.0602 -10.0602 -9.5580 -9.5580 -9.5454 -9.5454 -9.4698 -9.4698 -9.4231 -9.4231 -8.7085 -8.7085 -8.7064 -8.7064 -8.6866 -8.6866 -8.6778 -8.6778 -8.6066 -8.6066 -8.5978 -8.5978 0.1087 0.1087 0.1137 0.1137 1.1777 1.1777 1.2257 1.2257 1.7516 1.7516 1.8079 1.8079 2.9190 2.9190 2.9299 2.9299 7.9744 7.9744 8.0652 8.0652 8.5022 8.5022 8.5938 8.5938 k = 0.1465 0.4254 0.6947 ( 4340 PWs) bands (ev): -10.0739 -10.0739 -10.0585 -10.0585 -9.5583 -9.5583 -9.5458 -9.5458 -9.4724 -9.4724 -9.4257 -9.4257 -8.7091 -8.7091 -8.7062 -8.7062 -8.6868 -8.6868 -8.6788 -8.6788 -8.6089 -8.6089 -8.6001 -8.6001 0.0744 0.0744 0.0786 0.0786 1.1978 1.1978 1.2459 1.2459 1.7718 1.7718 1.8301 1.8301 2.9595 2.9595 2.9719 2.9719 7.9731 7.9731 8.0534 8.0534 8.5155 8.5155 8.5994 8.5994 k = 0.1398 0.4061 0.6947 ( 4344 PWs) bands (ev): -10.0723 -10.0723 -10.0568 -10.0568 -9.5586 -9.5586 -9.5463 -9.5463 -9.4751 -9.4751 -9.4284 -9.4284 -8.7097 -8.7097 -8.7061 -8.7061 -8.6871 -8.6871 -8.6799 -8.6799 -8.6112 -8.6112 -8.6025 -8.6025 0.0405 0.0405 0.0440 0.0440 1.2182 1.2182 1.2662 1.2662 1.7905 1.7905 1.8502 1.8502 3.0040 3.0040 3.0175 3.0175 7.9657 7.9657 8.0361 8.0361 8.5305 8.5305 8.6077 8.6077 k = 0.1332 0.3867 0.6947 ( 4344 PWs) bands (ev): -10.0706 -10.0706 -10.0550 -10.0550 -9.5589 -9.5589 -9.5467 -9.5467 -9.4777 -9.4777 -9.4312 -9.4312 -8.7104 -8.7104 -8.7060 -8.7060 -8.6874 -8.6874 -8.6810 -8.6810 -8.6135 -8.6135 -8.6049 -8.6049 0.0072 0.0072 0.0101 0.0101 1.2388 1.2388 1.2863 1.2863 1.8082 1.8082 1.8686 1.8686 3.0518 3.0518 3.0661 3.0661 7.9521 7.9521 8.0136 8.0136 8.5470 8.5470 8.6189 8.6189 k = 0.1265 0.3674 0.6947 ( 4344 PWs) bands (ev): -10.0688 -10.0688 -10.0532 -10.0532 -9.5593 -9.5593 -9.5473 -9.5473 -9.4802 -9.4802 -9.4342 -9.4342 -8.7111 -8.7111 -8.7060 -8.7060 -8.6876 -8.6876 -8.6822 -8.6822 -8.6158 -8.6158 -8.6073 -8.6073 -0.0253 -0.0253 -0.0230 -0.0230 1.2592 1.2592 1.3060 1.3060 1.8252 1.8252 1.8857 1.8857 3.1022 3.1022 3.1169 3.1169 7.9325 7.9325 7.9862 7.9862 8.5647 8.5647 8.6328 8.6328 k = 0.1198 0.3481 0.6947 ( 4340 PWs) bands (ev): -10.0670 -10.0670 -10.0515 -10.0515 -9.5597 -9.5597 -9.5479 -9.5479 -9.4825 -9.4825 -9.4373 -9.4373 -8.7117 -8.7117 -8.7059 -8.7059 -8.6879 -8.6879 -8.6833 -8.6833 -8.6180 -8.6180 -8.6097 -8.6097 -0.0569 -0.0569 -0.0551 -0.0551 1.2791 1.2791 1.3249 1.3249 1.8422 1.8422 1.9020 1.9020 3.1544 3.1544 3.1693 3.1693 7.9071 7.9071 7.9540 7.9540 8.5835 8.5835 8.6492 8.6492 k = 0.1132 0.3287 0.6947 ( 4344 PWs) bands (ev): -10.0651 -10.0651 -10.0498 -10.0498 -9.5600 -9.5600 -9.5486 -9.5486 -9.4848 -9.4848 -9.4404 -9.4404 -8.7125 -8.7125 -8.7059 -8.7059 -8.6881 -8.6881 -8.6845 -8.6845 -8.6202 -8.6202 -8.6121 -8.6121 -0.0874 -0.0874 -0.0860 -0.0860 1.2982 1.2982 1.3427 1.3427 1.8594 1.8594 1.9181 1.9181 3.2076 3.2076 3.2226 3.2226 7.8765 7.8765 7.9177 7.9177 8.6034 8.6034 8.6679 8.6679 k = 0.1065 0.3094 0.6947 ( 4340 PWs) bands (ev): -10.0631 -10.0631 -10.0481 -10.0481 -9.5604 -9.5604 -9.5493 -9.5493 -9.4868 -9.4868 -9.4437 -9.4437 -8.7131 -8.7131 -8.7060 -8.7060 -8.6884 -8.6884 -8.6857 -8.6857 -8.6223 -8.6223 -8.6145 -8.6145 -0.1168 -0.1168 -0.1157 -0.1157 1.3163 1.3163 1.3590 1.3590 1.8773 1.8773 1.9342 1.9342 3.2612 3.2612 3.2761 3.2761 7.8413 7.8413 7.8776 7.8776 8.6243 8.6243 8.6886 8.6886 k = 0.0999 0.2901 0.6947 ( 4340 PWs) bands (ev): -10.0611 -10.0611 -10.0464 -10.0464 -9.5608 -9.5608 -9.5502 -9.5502 -9.4887 -9.4887 -9.4469 -9.4469 -8.7138 -8.7138 -8.7061 -8.7061 -8.6886 -8.6886 -8.6867 -8.6867 -8.6243 -8.6243 -8.6168 -8.6168 -0.1448 -0.1448 -0.1440 -0.1440 1.3331 1.3331 1.3737 1.3737 1.8961 1.8961 1.9506 1.9506 3.3146 3.3146 3.3292 3.3292 7.8023 7.8023 7.8344 7.8344 8.6461 8.6461 8.7110 8.7110 k = 0.0932 0.2707 0.6947 ( 4348 PWs) bands (ev): -10.0591 -10.0591 -10.0449 -10.0449 -9.5612 -9.5612 -9.5511 -9.5511 -9.4904 -9.4904 -9.4502 -9.4502 -8.7144 -8.7144 -8.7063 -8.7063 -8.6888 -8.6888 -8.6878 -8.6878 -8.6263 -8.6263 -8.6191 -8.6191 -0.1714 -0.1714 -0.1709 -0.1709 1.3484 1.3484 1.3866 1.3866 1.9159 1.9159 1.9676 1.9676 3.3672 3.3672 3.3813 3.3813 7.7604 7.7604 7.7888 7.7888 8.6689 8.6689 8.7347 8.7347 k = 0.0866 0.2514 0.6947 ( 4360 PWs) bands (ev): -10.0571 -10.0571 -10.0434 -10.0434 -9.5616 -9.5616 -9.5521 -9.5521 -9.4919 -9.4919 -9.4536 -9.4536 -8.7151 -8.7151 -8.7066 -8.7066 -8.6891 -8.6891 -8.6888 -8.6888 -8.6281 -8.6281 -8.6213 -8.6213 -0.1965 -0.1965 -0.1962 -0.1962 1.3621 1.3621 1.3976 1.3976 1.9367 1.9367 1.9852 1.9852 3.4183 3.4183 3.4319 3.4319 7.7163 7.7163 7.7416 7.7416 8.6925 8.6925 8.7593 8.7593 k = 0.0799 0.2320 0.6947 ( 4360 PWs) bands (ev): -10.0551 -10.0551 -10.0420 -10.0420 -9.5620 -9.5620 -9.5531 -9.5531 -9.4931 -9.4931 -9.4569 -9.4569 -8.7156 -8.7156 -8.7070 -8.7070 -8.6897 -8.6897 -8.6893 -8.6893 -8.6298 -8.6298 -8.6234 -8.6234 -0.2200 -0.2200 -0.2199 -0.2199 1.3741 1.3741 1.4067 1.4067 1.9583 1.9583 2.0033 2.0033 3.4676 3.4676 3.4805 3.4805 7.6712 7.6712 7.6936 7.6936 8.7167 8.7167 8.7845 8.7845 k = 0.0732 0.2127 0.6947 ( 4364 PWs) bands (ev): -10.0531 -10.0531 -10.0407 -10.0407 -9.5624 -9.5624 -9.5541 -9.5541 -9.4941 -9.4941 -9.4601 -9.4601 -8.7161 -8.7161 -8.7074 -8.7074 -8.6905 -8.6905 -8.6896 -8.6896 -8.6313 -8.6313 -8.6254 -8.6254 -0.2419 -0.2419 -0.2419 -0.2419 1.3846 1.3846 1.4142 1.4142 1.9805 1.9805 2.0218 2.0218 3.5145 3.5145 3.5267 3.5267 7.6258 7.6258 7.6457 7.6457 8.7415 8.7415 8.8098 8.8098 k = 0.0666 0.1934 0.6947 ( 4364 PWs) bands (ev): -10.0512 -10.0512 -10.0395 -10.0395 -9.5628 -9.5628 -9.5552 -9.5552 -9.4948 -9.4948 -9.4633 -9.4633 -8.7166 -8.7166 -8.7080 -8.7080 -8.6911 -8.6911 -8.6898 -8.6898 -8.6327 -8.6327 -8.6272 -8.6272 -0.2621 -0.2621 -0.2621 -0.2621 1.3935 1.3935 1.4200 1.4200 2.0029 2.0029 2.0403 2.0403 3.5587 3.5587 3.5701 3.5701 7.5811 7.5811 7.5987 7.5987 8.7666 8.7666 8.8348 8.8348 k = 0.0599 0.1740 0.6947 ( 4364 PWs) bands (ev): -10.0493 -10.0493 -10.0385 -10.0385 -9.5631 -9.5631 -9.5562 -9.5562 -9.4953 -9.4953 -9.4665 -9.4665 -8.7169 -8.7169 -8.7087 -8.7087 -8.6916 -8.6916 -8.6900 -8.6900 -8.6339 -8.6339 -8.6289 -8.6289 -0.2806 -0.2806 -0.2805 -0.2805 1.4010 1.4010 1.4245 1.4245 2.0250 2.0250 2.0586 2.0586 3.5999 3.5999 3.6104 3.6104 7.5379 7.5379 7.5533 7.5533 8.7917 8.7917 8.8590 8.8590 k = 0.0533 0.1547 0.6947 ( 4360 PWs) bands (ev): -10.0475 -10.0475 -10.0377 -10.0377 -9.5633 -9.5633 -9.5573 -9.5573 -9.4955 -9.4955 -9.4695 -9.4695 -8.7172 -8.7172 -8.7094 -8.7094 -8.6920 -8.6920 -8.6902 -8.6902 -8.6350 -8.6350 -8.6305 -8.6305 -0.2972 -0.2972 -0.2970 -0.2970 1.4072 1.4072 1.4277 1.4277 2.0466 2.0466 2.0762 2.0762 3.6376 3.6376 3.6471 3.6471 7.4970 7.4970 7.5104 7.5104 8.8166 8.8166 8.8819 8.8819 k = 0.0466 0.1354 0.6947 ( 4360 PWs) bands (ev): -10.0457 -10.0457 -10.0370 -10.0370 -9.5636 -9.5636 -9.5583 -9.5583 -9.4954 -9.4954 -9.4724 -9.4724 -8.7174 -8.7174 -8.7102 -8.7102 -8.6923 -8.6923 -8.6904 -8.6904 -8.6359 -8.6359 -8.6319 -8.6319 -0.3119 -0.3119 -0.3118 -0.3118 1.4124 1.4124 1.4300 1.4300 2.0671 2.0671 2.0928 2.0928 3.6716 3.6716 3.6801 3.6801 7.4591 7.4591 7.4707 7.4707 8.8409 8.8409 8.9029 8.9029 k = 0.0399 0.1160 0.6947 ( 4368 PWs) bands (ev): -10.0441 -10.0441 -10.0365 -10.0365 -9.5638 -9.5638 -9.5593 -9.5593 -9.4952 -9.4952 -9.4752 -9.4752 -8.7176 -8.7176 -8.7111 -8.7111 -8.6925 -8.6925 -8.6907 -8.6907 -8.6367 -8.6367 -8.6332 -8.6332 -0.3248 -0.3248 -0.3246 -0.3246 1.4166 1.4166 1.4314 1.4314 2.0860 2.0860 2.1079 2.1079 3.7017 3.7017 3.7091 3.7091 7.4250 7.4250 7.4347 7.4347 8.8641 8.8641 8.9215 8.9215 k = 0.0333 0.0967 0.6947 ( 4360 PWs) bands (ev): -10.0426 -10.0426 -10.0361 -10.0361 -9.5639 -9.5639 -9.5602 -9.5602 -9.4946 -9.4946 -9.4778 -9.4778 -8.7175 -8.7175 -8.7120 -8.7120 -8.6925 -8.6925 -8.6908 -8.6908 -8.6373 -8.6373 -8.6344 -8.6344 -0.3357 -0.3357 -0.3355 -0.3355 1.4200 1.4200 1.4322 1.4322 2.1031 2.1031 2.1212 2.1212 3.7276 3.7276 3.7339 3.7339 7.3952 7.3952 7.4032 7.4032 8.8859 8.8859 8.9371 8.9371 k = 0.0266 0.0773 0.6947 ( 4352 PWs) bands (ev): -10.0412 -10.0412 -10.0359 -10.0359 -9.5639 -9.5639 -9.5610 -9.5610 -9.4938 -9.4938 -9.4803 -9.4803 -8.7173 -8.7173 -8.7128 -8.7128 -8.6925 -8.6925 -8.6911 -8.6911 -8.6377 -8.6377 -8.6353 -8.6353 -0.3446 -0.3446 -0.3444 -0.3444 1.4229 1.4229 1.4325 1.4325 2.1179 2.1179 2.1322 2.1322 3.7492 3.7492 3.7543 3.7543 7.3702 7.3702 7.3765 7.3765 8.9059 8.9059 8.9493 8.9493 k = 0.0200 0.0580 0.6947 ( 4354 PWs) bands (ev): -10.0399 -10.0399 -10.0360 -10.0360 -9.5639 -9.5639 -9.5617 -9.5617 -9.4929 -9.4929 -9.4827 -9.4827 -8.7171 -8.7171 -8.7137 -8.7137 -8.6924 -8.6924 -8.6913 -8.6913 -8.6379 -8.6379 -8.6362 -8.6362 -0.3516 -0.3516 -0.3514 -0.3514 1.4252 1.4252 1.4323 1.4323 2.1301 2.1301 2.1408 2.1408 3.7663 3.7663 3.7701 3.7701 7.3505 7.3505 7.3552 7.3552 8.9235 8.9235 8.9576 8.9576 k = 0.0133 0.0387 0.6947 ( 4344 PWs) bands (ev): -10.0388 -10.0388 -10.0362 -10.0362 -9.5638 -9.5638 -9.5623 -9.5623 -9.4916 -9.4916 -9.4848 -9.4848 -8.7168 -8.7168 -8.7144 -8.7144 -8.6922 -8.6922 -8.6915 -8.6915 -8.6380 -8.6380 -8.6368 -8.6368 -0.3565 -0.3565 -0.3564 -0.3564 1.4271 1.4271 1.4318 1.4318 2.1395 2.1395 2.1466 2.1466 3.7788 3.7788 3.7814 3.7814 7.3363 7.3363 7.3395 7.3395 8.9383 8.9383 8.9619 8.9619 k = 0.0067 0.0193 0.6947 ( 4348 PWs) bands (ev): -10.0379 -10.0379 -10.0366 -10.0366 -9.5636 -9.5636 -9.5628 -9.5628 -9.4902 -9.4902 -9.4868 -9.4868 -8.7163 -8.7163 -8.7152 -8.7152 -8.6921 -8.6921 -8.6917 -8.6917 -8.6380 -8.6380 -8.6374 -8.6374 -0.3595 -0.3595 -0.3595 -0.3595 1.4287 1.4287 1.4310 1.4310 2.1459 2.1459 2.1495 2.1495 3.7866 3.7866 3.7879 3.7879 7.3281 7.3281 7.3297 7.3297 8.9499 8.9499 8.9619 8.9619 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0371 -10.0371 -10.0371 -10.0371 -9.5633 -9.5633 -9.5633 -9.5633 -9.4886 -9.4886 -9.4886 -9.4886 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6378 -8.6378 -8.6378 -8.6378 -0.3605 -0.3605 -0.3605 -0.3605 1.4300 1.4300 1.4300 1.4300 2.1493 2.1493 2.1493 2.1493 3.7896 3.7896 3.7896 3.7896 7.3258 7.3258 7.3258 7.3258 8.9579 8.9579 8.9579 8.9579 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0371 -10.0371 -10.0371 -10.0371 -9.5633 -9.5633 -9.5633 -9.5633 -9.4886 -9.4886 -9.4886 -9.4886 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6378 -8.6378 -8.6378 -8.6378 -0.3605 -0.3605 -0.3605 -0.3605 1.4300 1.4300 1.4300 1.4300 2.1493 2.1493 2.1493 2.1493 3.7896 3.7896 3.7896 3.7896 7.3258 7.3258 7.3258 7.3258 8.9579 8.9579 8.9579 8.9579 k = 0.0000 0.0000 0.6743 ( 4356 PWs) bands (ev): -10.0399 -10.0399 -10.0348 -10.0348 -9.5634 -9.5634 -9.5632 -9.5632 -9.4930 -9.4930 -9.4843 -9.4843 -8.7161 -8.7161 -8.7155 -8.7155 -8.6927 -8.6927 -8.6912 -8.6912 -8.6404 -8.6404 -8.6351 -8.6351 -0.3619 -0.3619 -0.3562 -0.3562 1.3963 1.3963 1.4628 1.4628 2.1385 2.1385 2.1592 2.1592 3.7535 3.7535 3.8216 3.8216 7.2784 7.2784 7.3802 7.3802 8.9358 8.9358 8.9829 8.9829 k = 0.0000 0.0000 0.6538 ( 4358 PWs) bands (ev): -10.0429 -10.0429 -10.0327 -10.0327 -9.5634 -9.5634 -9.5631 -9.5631 -9.4971 -9.4971 -9.4798 -9.4798 -8.7165 -8.7165 -8.7152 -8.7152 -8.6935 -8.6935 -8.6904 -8.6904 -8.6428 -8.6428 -8.6323 -8.6323 -0.3603 -0.3603 -0.3491 -0.3491 1.3620 1.3620 1.4945 1.4945 2.1269 2.1269 2.1683 2.1683 3.7135 3.7135 3.8494 3.8494 7.2382 7.2382 7.4411 7.4411 8.9171 8.9171 9.0099 9.0099 k = 0.0000 0.0000 0.6334 ( 4360 PWs) bands (ev): -10.0463 -10.0463 -10.0310 -10.0310 -9.5636 -9.5636 -9.5630 -9.5630 -9.5012 -9.5012 -9.4753 -9.4753 -8.7168 -8.7168 -8.7149 -8.7149 -8.6943 -8.6943 -8.6897 -8.6897 -8.6451 -8.6451 -8.6294 -8.6294 -0.3559 -0.3559 -0.3391 -0.3391 1.3273 1.3273 1.5251 1.5251 2.1145 2.1145 2.1764 2.1764 3.6701 3.6701 3.8726 3.8726 7.2055 7.2055 7.5080 7.5080 8.9019 8.9019 9.0375 9.0375 k = 0.0000 0.0000 0.6130 ( 4366 PWs) bands (ev): -10.0500 -10.0500 -10.0296 -10.0296 -9.5636 -9.5636 -9.5630 -9.5630 -9.5052 -9.5052 -9.4707 -9.4707 -8.7172 -8.7172 -8.7147 -8.7147 -8.6950 -8.6950 -8.6890 -8.6890 -8.6473 -8.6473 -8.6265 -8.6265 -0.3485 -0.3485 -0.3264 -0.3264 1.2922 1.2922 1.5542 1.5542 2.1014 2.1014 2.1836 2.1836 3.6235 3.6235 3.8911 3.8911 7.1808 7.1808 7.5807 7.5807 8.8905 8.8905 9.0626 9.0626 k = 0.0000 0.0000 0.5925 ( 4357 PWs) bands (ev): -10.0540 -10.0540 -10.0285 -10.0285 -9.5637 -9.5637 -9.5628 -9.5628 -9.5089 -9.5089 -9.4661 -9.4661 -8.7174 -8.7174 -8.7144 -8.7144 -8.6958 -8.6958 -8.6882 -8.6882 -8.6493 -8.6493 -8.6234 -8.6234 -0.3382 -0.3382 -0.3109 -0.3109 1.2569 1.2569 1.5817 1.5817 2.0877 2.0877 2.1898 2.1898 3.5740 3.5740 3.9048 3.9048 7.1642 7.1642 7.6586 7.6586 8.8830 8.8830 9.0800 9.0800 k = 0.0000 0.0000 0.5721 ( 4353 PWs) bands (ev): -10.0583 -10.0583 -10.0277 -10.0277 -9.5637 -9.5637 -9.5627 -9.5627 -9.5126 -9.5126 -9.4615 -9.4615 -8.7177 -8.7177 -8.7141 -8.7141 -8.6966 -8.6966 -8.6874 -8.6874 -8.6512 -8.6512 -8.6202 -8.6202 -0.3250 -0.3250 -0.2928 -0.2928 1.2217 1.2217 1.6074 1.6074 2.0735 2.0735 2.1951 2.1951 3.5219 3.5219 3.9137 3.9137 7.1557 7.1557 7.7414 7.7414 8.8792 8.8792 9.0831 9.0831 k = 0.0000 0.0000 0.5517 ( 4343 PWs) bands (ev): -10.0628 -10.0628 -10.0272 -10.0272 -9.5637 -9.5637 -9.5625 -9.5625 -9.5160 -9.5160 -9.4569 -9.4569 -8.7180 -8.7180 -8.7139 -8.7139 -8.6973 -8.6973 -8.6866 -8.6866 -8.6530 -8.6530 -8.6170 -8.6170 -0.3089 -0.3089 -0.2720 -0.2720 1.1866 1.1866 1.6310 1.6310 2.0588 2.0588 2.1994 2.1994 3.4674 3.4674 3.9178 3.9178 7.1556 7.1556 7.8286 7.8286 8.8793 8.8793 9.0694 9.0694 k = 0.0000 0.0000 0.5312 ( 4339 PWs) bands (ev): -10.0675 -10.0675 -10.0270 -10.0270 -9.5638 -9.5638 -9.5624 -9.5624 -9.5193 -9.5193 -9.4524 -9.4524 -8.7183 -8.7183 -8.7137 -8.7137 -8.6981 -8.6981 -8.6859 -8.6859 -8.6546 -8.6546 -8.6138 -8.6138 -0.2899 -0.2899 -0.2487 -0.2487 1.1518 1.1518 1.6524 1.6524 2.0436 2.0436 2.2028 2.2028 3.4108 3.4108 3.9173 3.9173 7.1638 7.1638 7.9198 7.9198 8.8829 8.8829 9.0435 9.0435 k = 0.0000 0.0000 0.5108 ( 4343 PWs) bands (ev): -10.0725 -10.0725 -10.0270 -10.0270 -9.5639 -9.5639 -9.5623 -9.5623 -9.5224 -9.5224 -9.4479 -9.4479 -8.7186 -8.7186 -8.7135 -8.7135 -8.6989 -8.6989 -8.6852 -8.6852 -8.6561 -8.6561 -8.6105 -8.6105 -0.2680 -0.2680 -0.2230 -0.2230 1.1175 1.1175 1.6713 1.6713 2.0282 2.0282 2.2053 2.2053 3.3523 3.3523 3.9125 3.9125 7.1801 7.1801 8.0146 8.0146 8.8898 8.8898 9.0114 9.0114 k = 0.0000 0.0000 0.4904 ( 4345 PWs) bands (ev): -10.0777 -10.0777 -10.0273 -10.0273 -9.5639 -9.5639 -9.5622 -9.5622 -9.5254 -9.5254 -9.4435 -9.4435 -8.7189 -8.7189 -8.7134 -8.7134 -8.6997 -8.6997 -8.6845 -8.6845 -8.6575 -8.6575 -8.6072 -8.6072 -0.2434 -0.2434 -0.1949 -0.1949 1.0837 1.0837 1.6875 1.6875 2.0126 2.0126 2.2070 2.2070 3.2922 3.2922 3.9036 3.9036 7.2045 7.2045 8.1125 8.1125 8.8984 8.8984 8.9782 8.9782 k = 0.0000 0.0000 0.4699 ( 4353 PWs) bands (ev): -10.0830 -10.0830 -10.0279 -10.0279 -9.5640 -9.5640 -9.5621 -9.5621 -9.5282 -9.5282 -9.4393 -9.4393 -8.7191 -8.7191 -8.7133 -8.7133 -8.7005 -8.7005 -8.6838 -8.6838 -8.6588 -8.6588 -8.6040 -8.6040 -0.2160 -0.2160 -0.1646 -0.1646 1.0507 1.0507 1.7008 1.7008 1.9968 1.9968 2.2078 2.2078 3.2306 3.2306 3.8910 3.8910 7.2365 7.2365 8.2128 8.2128 8.9012 8.9012 8.9534 8.9534 k = 0.0000 0.0000 0.4495 ( 4355 PWs) bands (ev): -10.0884 -10.0884 -10.0286 -10.0286 -9.5641 -9.5641 -9.5619 -9.5619 -9.5308 -9.5308 -9.4350 -9.4350 -8.7194 -8.7194 -8.7132 -8.7132 -8.7013 -8.7013 -8.6831 -8.6831 -8.6600 -8.6600 -8.6007 -8.6007 -0.1859 -0.1859 -0.1321 -0.1321 1.0185 1.0185 1.7110 1.7110 1.9810 1.9810 2.2078 2.2078 3.1678 3.1678 3.8753 3.8753 7.2760 7.2760 8.3146 8.3146 8.8813 8.8813 8.9555 8.9555 k = 0.0000 0.0000 0.4291 ( 4363 PWs) bands (ev): -10.0939 -10.0939 -10.0295 -10.0295 -9.5642 -9.5642 -9.5618 -9.5618 -9.5332 -9.5332 -9.4310 -9.4310 -8.7196 -8.7196 -8.7131 -8.7131 -8.7021 -8.7021 -8.6824 -8.6824 -8.6610 -8.6610 -8.5975 -8.5975 -0.1531 -0.1531 -0.0977 -0.0977 0.9874 0.9874 1.7179 1.7179 1.9652 1.9652 2.2071 2.2071 3.1040 3.1040 3.8569 3.8569 7.3224 7.3224 8.4168 8.4168 8.8488 8.8488 8.9756 8.9756 k = 0.0000 0.0000 0.4086 ( 4369 PWs) bands (ev): -10.0995 -10.0995 -10.0305 -10.0305 -9.5642 -9.5642 -9.5618 -9.5618 -9.5355 -9.5355 -9.4271 -9.4271 -8.7199 -8.7199 -8.7131 -8.7131 -8.7028 -8.7028 -8.6818 -8.6818 -8.6620 -8.6620 -8.5943 -8.5943 -0.1178 -0.1178 -0.0614 -0.0614 0.9573 0.9573 1.7213 1.7213 1.9496 1.9496 2.2057 2.2057 3.0393 3.0393 3.8363 3.8363 7.3755 7.3755 8.5170 8.5170 8.8155 8.8155 9.0042 9.0042 k = 0.0000 0.0000 0.3882 ( 4379 PWs) bands (ev): -10.1050 -10.1050 -10.0317 -10.0317 -9.5643 -9.5643 -9.5617 -9.5617 -9.5376 -9.5376 -9.4233 -9.4233 -8.7201 -8.7201 -8.7132 -8.7132 -8.7035 -8.7035 -8.6811 -8.6811 -8.6628 -8.6628 -8.5912 -8.5912 -0.0800 -0.0800 -0.0235 -0.0235 0.9286 0.9286 1.7210 1.7210 1.9343 1.9343 2.2037 2.2037 2.9739 2.9739 3.8140 3.8140 7.4348 7.4348 8.6091 8.6091 8.7883 8.7883 9.0403 9.0403 k = 0.0000 0.0000 0.3678 ( 4375 PWs) bands (ev): -10.1106 -10.1106 -10.0329 -10.0329 -9.5644 -9.5644 -9.5615 -9.5615 -9.5395 -9.5395 -9.4196 -9.4196 -8.7202 -8.7202 -8.7132 -8.7132 -8.7042 -8.7042 -8.6805 -8.6805 -8.6636 -8.6636 -8.5880 -8.5880 -0.0397 -0.0397 0.0158 0.0158 0.9013 0.9013 1.7169 1.7169 1.9192 1.9192 2.2011 2.2011 2.9081 2.9081 3.7907 3.7907 7.4997 7.4997 8.6697 8.6697 8.7886 8.7886 9.0856 9.0856 k = 0.0000 0.0000 0.3474 ( 4367 PWs) bands (ev): -10.1161 -10.1161 -10.0343 -10.0343 -9.5644 -9.5644 -9.5613 -9.5613 -9.5413 -9.5413 -9.4161 -9.4161 -8.7204 -8.7204 -8.7132 -8.7132 -8.7048 -8.7048 -8.6798 -8.6798 -8.6642 -8.6642 -8.5850 -8.5850 0.0028 0.0028 0.0563 0.0563 0.8756 0.8756 1.7089 1.7089 1.9044 1.9044 2.1981 2.1981 2.8420 2.8420 3.7666 3.7666 7.5699 7.5699 8.6696 8.6696 8.8422 8.8422 9.1430 9.1430 k = 0.0000 0.0000 0.3269 ( 4359 PWs) bands (ev): -10.1215 -10.1215 -10.0357 -10.0357 -9.5644 -9.5644 -9.5611 -9.5611 -9.5429 -9.5429 -9.4127 -9.4127 -8.7205 -8.7205 -8.7132 -8.7132 -8.7054 -8.7054 -8.6792 -8.6792 -8.6647 -8.6647 -8.5821 -8.5821 0.0475 0.0475 0.0977 0.0977 0.8518 0.8518 1.6970 1.6970 1.8900 1.8900 2.1946 2.1946 2.7758 2.7758 3.7424 3.7424 7.6447 7.6447 8.6449 8.6449 8.9100 8.9100 9.2151 9.2151 k = 0.0000 0.0000 0.3065 ( 4353 PWs) bands (ev): -10.1267 -10.1267 -10.0371 -10.0371 -9.5645 -9.5645 -9.5609 -9.5609 -9.5444 -9.5444 -9.4095 -9.4095 -8.7206 -8.7206 -8.7132 -8.7132 -8.7059 -8.7059 -8.6786 -8.6786 -8.6652 -8.6652 -8.5792 -8.5792 0.0943 0.0943 0.1397 0.1397 0.8299 0.8299 1.6811 1.6811 1.8761 1.8761 2.1907 2.1907 2.7098 2.7098 3.7185 3.7185 7.7237 7.7237 8.6159 8.6159 8.9708 8.9708 9.3024 9.3024 k = 0.0000 0.0000 0.2861 ( 4351 PWs) bands (ev): -10.1318 -10.1318 -10.0386 -10.0386 -9.5645 -9.5645 -9.5607 -9.5607 -9.5458 -9.5458 -9.4066 -9.4066 -8.7206 -8.7206 -8.7133 -8.7133 -8.7064 -8.7064 -8.6781 -8.6781 -8.6656 -8.6656 -8.5765 -8.5765 0.1430 0.1430 0.1818 0.1818 0.8104 0.8104 1.6612 1.6612 1.8626 1.8626 2.1866 2.1866 2.6442 2.6442 3.6952 3.6952 7.8063 7.8063 8.5870 8.5870 9.0227 9.0227 9.4021 9.4021 k = 0.0000 0.0000 0.2656 ( 4347 PWs) bands (ev): -10.1368 -10.1368 -10.0400 -10.0400 -9.5645 -9.5645 -9.5606 -9.5606 -9.5471 -9.5471 -9.4038 -9.4038 -8.7207 -8.7207 -8.7134 -8.7134 -8.7069 -8.7069 -8.6776 -8.6776 -8.6659 -8.6659 -8.5740 -8.5740 0.1935 0.1935 0.2235 0.2235 0.7934 0.7934 1.6374 1.6374 1.8497 1.8497 2.1821 2.1821 2.5793 2.5793 3.6728 3.6728 7.8917 7.8917 8.5594 8.5594 9.0677 9.0677 9.5102 9.5102 k = 0.0000 0.0000 0.2452 ( 4355 PWs) bands (ev): -10.1414 -10.1414 -10.0415 -10.0415 -9.5646 -9.5646 -9.5604 -9.5604 -9.5482 -9.5482 -9.4012 -9.4012 -8.7208 -8.7208 -8.7135 -8.7135 -8.7074 -8.7074 -8.6771 -8.6771 -8.6662 -8.6662 -8.5716 -8.5716 0.2453 0.2453 0.2644 0.2644 0.7795 0.7795 1.6097 1.6097 1.8374 1.8374 2.1775 2.1775 2.5155 2.5155 3.6516 3.6516 7.9790 7.9790 8.5343 8.5343 9.1078 9.1078 9.6234 9.6234 k = 0.0000 0.0000 0.2248 ( 4361 PWs) bands (ev): -10.1459 -10.1459 -10.0429 -10.0429 -9.5646 -9.5646 -9.5603 -9.5603 -9.5493 -9.5493 -9.3989 -9.3989 -8.7208 -8.7208 -8.7136 -8.7136 -8.7079 -8.7079 -8.6767 -8.6767 -8.6665 -8.6665 -8.5694 -8.5694 0.2967 0.2967 0.3053 0.3053 0.7690 0.7690 1.5785 1.5785 1.8258 1.8258 2.1725 2.1725 2.4533 2.4533 3.6319 3.6319 8.0668 8.0668 8.5127 8.5127 9.1442 9.1442 9.7394 9.7394 k = 0.0000 0.0000 0.2043 ( 4357 PWs) bands (ev): -10.1500 -10.1500 -10.0443 -10.0443 -9.5646 -9.5646 -9.5601 -9.5601 -9.5502 -9.5502 -9.3967 -9.3967 -8.7208 -8.7208 -8.7137 -8.7137 -8.7083 -8.7083 -8.6763 -8.6763 -8.6667 -8.6667 -8.5673 -8.5673 0.3372 0.3372 0.3557 0.3557 0.7626 0.7626 1.5437 1.5437 1.8150 1.8150 2.1670 2.1670 2.3933 2.3933 3.6137 3.6137 8.1528 8.1528 8.4966 8.4966 9.1776 9.1776 9.8561 9.8561 k = 0.0000 0.0000 0.1839 ( 4361 PWs) bands (ev): -10.1539 -10.1539 -10.0455 -10.0455 -9.5647 -9.5647 -9.5599 -9.5599 -9.5511 -9.5511 -9.3948 -9.3948 -8.7208 -8.7208 -8.7139 -8.7139 -8.7087 -8.7087 -8.6760 -8.6760 -8.6668 -8.6668 -8.5654 -8.5654 0.3700 0.3700 0.4110 0.4110 0.7607 0.7607 1.5057 1.5057 1.8050 1.8050 2.1608 2.1608 2.3363 2.3363 3.5971 3.5971 8.2319 8.2319 8.4903 8.4903 9.2082 9.2082 9.9719 9.9719 k = 0.0000 0.0000 0.1635 ( 4365 PWs) bands (ev): -10.1574 -10.1574 -10.0467 -10.0467 -9.5647 -9.5647 -9.5597 -9.5597 -9.5519 -9.5519 -9.3930 -9.3930 -8.7208 -8.7208 -8.7140 -8.7140 -8.7090 -8.7090 -8.6757 -8.6757 -8.6670 -8.6670 -8.5636 -8.5636 0.3979 0.3979 0.4673 0.4673 0.7637 0.7637 1.4649 1.4649 1.7959 1.7959 2.1529 2.1529 2.2839 2.2839 3.5824 3.5824 8.2939 8.2939 8.5036 8.5036 9.2360 9.2360 10.0846 10.0846 k = 0.0000 0.0000 0.1430 ( 4371 PWs) bands (ev): -10.1605 -10.1605 -10.0478 -10.0478 -9.5648 -9.5648 -9.5595 -9.5595 -9.5527 -9.5527 -9.3915 -9.3915 -8.7208 -8.7208 -8.7142 -8.7142 -8.7093 -8.7093 -8.6755 -8.6755 -8.6671 -8.6671 -8.5621 -8.5621 0.4206 0.4206 0.5239 0.5239 0.7716 0.7716 1.4218 1.4218 1.7878 1.7878 2.1411 2.1411 2.2390 2.2390 3.5694 3.5694 8.3271 8.3271 8.5471 8.5471 9.2608 9.2608 10.1894 10.1894 k = 0.0000 0.0000 0.1226 ( 4363 PWs) bands (ev): -10.1633 -10.1633 -10.0487 -10.0487 -9.5647 -9.5647 -9.5593 -9.5593 -9.5533 -9.5533 -9.3901 -9.3901 -8.7208 -8.7208 -8.7143 -8.7143 -8.7095 -8.7095 -8.6752 -8.6752 -8.6671 -8.6671 -8.5607 -8.5607 0.4380 0.4380 0.5802 0.5802 0.7836 0.7836 1.3768 1.3768 1.7807 1.7807 2.1218 2.1218 2.2060 2.2060 3.5582 3.5582 8.3364 8.3364 8.6147 8.6147 9.2824 9.2824 10.2583 10.2583 k = 0.0000 0.0000 0.1022 ( 4359 PWs) bands (ev): -10.1656 -10.1656 -10.0495 -10.0495 -9.5647 -9.5647 -9.5591 -9.5591 -9.5538 -9.5538 -9.3889 -9.3889 -8.7208 -8.7208 -8.7143 -8.7143 -8.7097 -8.7097 -8.6750 -8.6750 -8.6671 -8.6671 -8.5596 -8.5596 0.4506 0.4506 0.6355 0.6355 0.7985 0.7985 1.3310 1.3310 1.7746 1.7746 2.0941 2.0941 2.1867 2.1867 3.5488 3.5488 8.3350 8.3350 8.6915 8.6915 9.3004 9.3004 10.2191 10.2191 k = 0.0000 0.0000 0.0817 ( 4357 PWs) bands (ev): -10.1676 -10.1676 -10.0502 -10.0502 -9.5647 -9.5647 -9.5589 -9.5589 -9.5543 -9.5543 -9.3880 -9.3880 -8.7208 -8.7208 -8.7144 -8.7144 -8.7098 -8.7098 -8.6749 -8.6749 -8.6671 -8.6671 -8.5586 -8.5586 0.4592 0.4592 0.6887 0.6887 0.8144 0.8144 1.2855 1.2855 1.7696 1.7696 2.0636 2.0636 2.1766 2.1766 3.5411 3.5411 8.3303 8.3303 8.7678 8.7678 9.3145 9.3145 10.1485 10.1485 k = 0.0000 0.0000 0.0613 ( 4351 PWs) bands (ev): -10.1691 -10.1691 -10.0507 -10.0507 -9.5647 -9.5647 -9.5588 -9.5588 -9.5546 -9.5546 -9.3872 -9.3872 -8.7207 -8.7207 -8.7144 -8.7144 -8.7099 -8.7099 -8.6747 -8.6747 -8.6671 -8.6671 -8.5579 -8.5579 0.4648 0.4648 0.7377 0.7377 0.8294 0.8294 1.2423 1.2423 1.7657 1.7657 2.0362 2.0362 2.1709 2.1709 3.5352 3.5352 8.3251 8.3251 8.8372 8.8372 9.3245 9.3245 10.0826 10.0826 k = 0.0000 0.0000 0.0409 ( 4347 PWs) bands (ev): -10.1702 -10.1702 -10.0511 -10.0511 -9.5647 -9.5647 -9.5586 -9.5586 -9.5549 -9.5549 -9.3867 -9.3867 -8.7207 -8.7207 -8.7145 -8.7145 -8.7100 -8.7100 -8.6746 -8.6746 -8.6671 -8.6671 -8.5573 -8.5573 0.4682 0.4682 0.7796 0.7796 0.8417 0.8417 1.2046 1.2046 1.7629 1.7629 2.0148 2.0148 2.1676 2.1676 3.5310 3.5310 8.3209 8.3209 8.8939 8.8939 9.3306 9.3306 10.0295 10.0295 k = 0.0000 0.0000 0.0204 ( 4355 PWs) bands (ev): -10.1709 -10.1709 -10.0514 -10.0514 -9.5647 -9.5647 -9.5585 -9.5585 -9.5551 -9.5551 -9.3864 -9.3864 -8.7207 -8.7207 -8.7146 -8.7146 -8.7101 -8.7101 -8.6746 -8.6746 -8.6672 -8.6672 -8.5570 -8.5570 0.4700 0.4700 0.8092 0.8092 0.8496 0.8496 1.1775 1.1775 1.7612 1.7612 2.0014 2.0014 2.1659 2.1659 3.5285 3.5285 8.3182 8.3182 8.9316 8.9316 9.3334 9.3334 9.9947 9.9947 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1711 -10.1711 -10.0515 -10.0515 -9.5648 -9.5648 -9.5585 -9.5585 -9.5552 -9.5552 -9.3863 -9.3863 -8.7207 -8.7207 -8.7146 -8.7146 -8.7102 -8.7102 -8.6746 -8.6746 -8.6672 -8.6672 -8.5569 -8.5569 0.4705 0.4705 0.8202 0.8202 0.8523 0.8523 1.1674 1.1674 1.7607 1.7607 1.9968 1.9968 2.1653 2.1653 3.5276 3.5276 8.3173 8.3173 8.9450 8.9450 9.3342 9.3342 9.9826 9.9826 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1711 -10.1711 -10.0515 -10.0515 -9.5648 -9.5648 -9.5585 -9.5585 -9.5552 -9.5552 -9.3863 -9.3863 -8.7207 -8.7207 -8.7146 -8.7146 -8.7102 -8.7102 -8.6746 -8.6746 -8.6672 -8.6672 -8.5569 -8.5569 0.4705 0.4705 0.8202 0.8202 0.8523 0.8523 1.1674 1.1674 1.7607 1.7607 1.9968 1.9968 2.1653 2.1653 3.5276 3.5276 8.3173 8.3173 8.9450 8.9450 9.3342 9.3342 9.9826 9.9826 k =-0.0192 0.0066 0.0000 ( 4361 PWs) bands (ev): -10.1709 -10.1709 -10.0514 -10.0514 -9.5648 -9.5648 -9.5585 -9.5585 -9.5552 -9.5552 -9.3865 -9.3865 -8.7207 -8.7207 -8.7146 -8.7146 -8.7101 -8.7101 -8.6748 -8.6748 -8.6670 -8.6670 -8.5570 -8.5570 0.4507 0.4507 0.8425 0.8425 0.8522 0.8522 1.1679 1.1679 1.7601 1.7601 1.9964 1.9964 2.1658 2.1658 3.5282 3.5282 8.3131 8.3131 8.9423 8.9423 9.3357 9.3357 9.9812 9.9812 k =-0.0385 0.0132 0.0000 ( 4361 PWs) bands (ev): -10.1704 -10.1704 -10.0513 -10.0513 -9.5647 -9.5647 -9.5585 -9.5585 -9.5550 -9.5550 -9.3870 -9.3870 -8.7207 -8.7207 -8.7144 -8.7144 -8.7101 -8.7101 -8.6754 -8.6754 -8.6666 -8.6666 -8.5574 -8.5574 0.4020 0.4020 0.8507 0.8507 0.8998 0.8998 1.1693 1.1693 1.7583 1.7583 1.9952 1.9952 2.1671 2.1671 3.5300 3.5300 8.3005 8.3005 8.9343 8.9343 9.3404 9.3404 9.9768 9.9768 k =-0.0577 0.0199 0.0000 ( 4351 PWs) bands (ev): -10.1696 -10.1696 -10.0512 -10.0512 -9.5647 -9.5647 -9.5586 -9.5586 -9.5548 -9.5548 -9.3878 -9.3878 -8.7206 -8.7206 -8.7142 -8.7142 -8.7101 -8.7101 -8.6762 -8.6762 -8.6660 -8.6660 -8.5579 -8.5579 0.3399 0.3399 0.8490 0.8490 0.9753 0.9753 1.1717 1.1717 1.7554 1.7554 1.9931 1.9931 2.1693 2.1693 3.5329 3.5329 8.2798 8.2798 8.9213 8.9213 9.3479 9.3479 9.9691 9.9691 k =-0.0769 0.0265 0.0000 ( 4353 PWs) bands (ev): -10.1684 -10.1684 -10.0510 -10.0510 -9.5646 -9.5646 -9.5586 -9.5586 -9.5545 -9.5545 -9.3889 -9.3889 -8.7205 -8.7205 -8.7139 -8.7139 -8.7100 -8.7100 -8.6773 -8.6773 -8.6653 -8.6653 -8.5587 -8.5587 0.2729 0.2729 0.8466 0.8466 1.0611 1.0611 1.1750 1.1750 1.7514 1.7514 1.9902 1.9902 2.1723 2.1723 3.5369 3.5369 8.2512 8.2512 8.9038 8.9038 9.3581 9.3581 9.9577 9.9577 k =-0.0962 0.0331 0.0000 ( 4357 PWs) bands (ev): -10.1669 -10.1669 -10.0508 -10.0508 -9.5646 -9.5646 -9.5587 -9.5587 -9.5543 -9.5543 -9.3904 -9.3904 -8.7204 -8.7204 -8.7136 -8.7136 -8.7100 -8.7100 -8.6784 -8.6784 -8.6646 -8.6646 -8.5597 -8.5597 0.2050 0.2050 0.8435 0.8435 1.1529 1.1529 1.1793 1.1793 1.7465 1.7465 1.9865 1.9865 2.1761 2.1761 3.5418 3.5418 8.2150 8.2150 8.8825 8.8825 9.3708 9.3708 9.9420 9.9420 k =-0.1154 0.0397 0.0000 ( 4353 PWs) bands (ev): -10.1652 -10.1652 -10.0505 -10.0505 -9.5645 -9.5645 -9.5587 -9.5587 -9.5538 -9.5538 -9.3921 -9.3921 -8.7203 -8.7203 -8.7132 -8.7132 -8.7099 -8.7099 -8.6796 -8.6796 -8.6640 -8.6640 -8.5609 -8.5609 0.1380 0.1380 0.8399 0.8399 1.1842 1.1842 1.2492 1.2492 1.7409 1.7409 1.9819 1.9819 2.1806 2.1806 3.5474 3.5474 8.1716 8.1716 8.8579 8.8579 9.3856 9.3856 9.9218 9.9218 k =-0.1346 0.0464 0.0000 ( 4365 PWs) bands (ev): -10.1632 -10.1632 -10.0501 -10.0501 -9.5645 -9.5645 -9.5588 -9.5588 -9.5534 -9.5534 -9.3942 -9.3942 -8.7203 -8.7203 -8.7129 -8.7129 -8.7098 -8.7098 -8.6809 -8.6809 -8.6634 -8.6634 -8.5623 -8.5623 0.0728 0.0728 0.8357 0.8357 1.1901 1.1901 1.3484 1.3484 1.7346 1.7346 1.9765 1.9765 2.1856 2.1856 3.5535 3.5535 8.1215 8.1215 8.8306 8.8306 9.4021 9.4021 9.8973 9.8973 k =-0.1538 0.0530 0.0000 ( 4359 PWs) bands (ev): -10.1609 -10.1609 -10.0497 -10.0497 -9.5645 -9.5645 -9.5589 -9.5589 -9.5528 -9.5528 -9.3965 -9.3965 -8.7201 -8.7201 -8.7124 -8.7124 -8.7097 -8.7097 -8.6822 -8.6822 -8.6628 -8.6628 -8.5638 -8.5638 0.0099 0.0099 0.8311 0.8311 1.1968 1.1968 1.4500 1.4500 1.7279 1.7279 1.9704 1.9704 2.1911 2.1911 3.5599 3.5599 8.0651 8.0651 8.8015 8.8015 9.4197 9.4197 9.8691 9.8691 k =-0.1731 0.0596 0.0000 ( 4363 PWs) bands (ev): -10.1584 -10.1584 -10.0493 -10.0493 -9.5644 -9.5644 -9.5590 -9.5590 -9.5522 -9.5522 -9.3990 -9.3990 -8.7200 -8.7200 -8.7119 -8.7119 -8.7095 -8.7095 -8.6835 -8.6835 -8.6623 -8.6623 -8.5654 -8.5654 -0.0502 -0.0502 0.8262 0.8262 1.2043 1.2043 1.5531 1.5531 1.7211 1.7211 1.9636 1.9636 2.1970 2.1970 3.5663 3.5663 8.0030 8.0030 8.7710 8.7710 9.4376 9.4376 9.8384 9.8384 k =-0.1923 0.0662 0.0000 ( 4367 PWs) bands (ev): -10.1557 -10.1557 -10.0489 -10.0489 -9.5643 -9.5643 -9.5591 -9.5591 -9.5515 -9.5515 -9.4018 -9.4018 -8.7198 -8.7198 -8.7115 -8.7115 -8.7093 -8.7093 -8.6849 -8.6849 -8.6619 -8.6619 -8.5672 -8.5672 -0.1074 -0.1074 0.8209 0.8209 1.2123 1.2123 1.6558 1.6558 1.7155 1.7155 1.9564 1.9564 2.2031 2.2031 3.5724 3.5724 7.9359 7.9359 8.7397 8.7397 9.4545 9.4545 9.8073 9.8073 k =-0.2115 0.0728 0.0000 ( 4369 PWs) bands (ev): -10.1528 -10.1528 -10.0485 -10.0485 -9.5643 -9.5643 -9.5592 -9.5592 -9.5508 -9.5508 -9.4048 -9.4048 -8.7197 -8.7197 -8.7112 -8.7112 -8.7089 -8.7089 -8.6861 -8.6861 -8.6615 -8.6615 -8.5691 -8.5691 -0.1616 -0.1616 0.8155 0.8155 1.2210 1.2210 1.7023 1.7023 1.7660 1.7660 1.9498 1.9498 2.2095 2.2095 3.5779 3.5779 7.8644 7.8644 8.7082 8.7082 9.4683 9.4683 9.7789 9.7789 k =-0.2308 0.0795 0.0000 ( 4365 PWs) bands (ev): -10.1498 -10.1498 -10.0481 -10.0481 -9.5642 -9.5642 -9.5593 -9.5593 -9.5499 -9.5499 -9.4078 -9.4078 -8.7195 -8.7195 -8.7109 -8.7109 -8.7083 -8.7083 -8.6874 -8.6874 -8.6613 -8.6613 -8.5709 -8.5709 -0.2125 -0.2125 0.8099 0.8099 1.2301 1.2301 1.6965 1.6965 1.8636 1.8636 1.9483 1.9483 2.2159 2.2159 3.5824 3.5824 7.7893 7.7893 8.6769 8.6769 9.4762 9.4762 9.7569 9.7569 k =-0.2500 0.0861 0.0000 ( 4359 PWs) bands (ev): -10.1468 -10.1468 -10.0477 -10.0477 -9.5641 -9.5641 -9.5594 -9.5594 -9.5490 -9.5490 -9.4110 -9.4110 -8.7192 -8.7192 -8.7107 -8.7107 -8.7076 -8.7076 -8.6886 -8.6886 -8.6610 -8.6610 -8.5729 -8.5729 -0.2602 -0.2602 0.8042 0.8042 1.2397 1.2397 1.6894 1.6894 1.9124 1.9124 1.9966 1.9966 2.2225 2.2225 3.5854 3.5854 7.7115 7.7115 8.6462 8.6462 9.4752 9.4752 9.7453 9.7453 k =-0.2692 0.0927 0.0000 ( 4357 PWs) bands (ev): -10.1437 -10.1437 -10.0474 -10.0474 -9.5640 -9.5640 -9.5595 -9.5595 -9.5481 -9.5481 -9.4142 -9.4142 -8.7190 -8.7190 -8.7106 -8.7106 -8.7069 -8.7069 -8.6898 -8.6898 -8.6609 -8.6609 -8.5748 -8.5748 -0.3045 -0.3045 0.7987 0.7987 1.2495 1.2495 1.6823 1.6823 1.9102 1.9102 2.0949 2.0949 2.2297 2.2297 3.5866 3.5866 7.6321 7.6321 8.6165 8.6165 9.4639 9.4639 9.7463 9.7463 k =-0.2885 0.0993 0.0000 ( 4355 PWs) bands (ev): -10.1406 -10.1406 -10.0470 -10.0470 -9.5639 -9.5639 -9.5596 -9.5596 -9.5471 -9.5471 -9.4175 -9.4175 -8.7187 -8.7187 -8.7106 -8.7106 -8.7061 -8.7061 -8.6909 -8.6909 -8.6608 -8.6608 -8.5768 -8.5768 -0.3454 -0.3454 0.7932 0.7932 1.2595 1.2595 1.6755 1.6755 1.9019 1.9019 2.1932 2.1932 2.2419 2.2419 3.5856 3.5856 7.5520 7.5520 8.5882 8.5882 9.4443 9.4443 9.7585 9.7585 k =-0.3077 0.1059 0.0000 ( 4355 PWs) bands (ev): -10.1375 -10.1375 -10.0467 -10.0467 -9.5638 -9.5638 -9.5597 -9.5597 -9.5461 -9.5461 -9.4208 -9.4208 -8.7184 -8.7184 -8.7106 -8.7106 -8.7053 -8.7053 -8.6918 -8.6918 -8.6608 -8.6608 -8.5787 -8.5787 -0.3828 -0.3828 0.7879 0.7879 1.2695 1.2695 1.6691 1.6691 1.8924 1.8924 2.2332 2.2332 2.3120 2.3120 3.5818 3.5818 7.4726 7.4726 8.5614 8.5614 9.4196 9.4196 9.7790 9.7790 k =-0.3269 0.1126 0.0000 ( 4355 PWs) bands (ev): -10.1345 -10.1345 -10.0465 -10.0465 -9.5637 -9.5637 -9.5598 -9.5598 -9.5450 -9.5450 -9.4240 -9.4240 -8.7182 -8.7182 -8.7106 -8.7106 -8.7046 -8.7046 -8.6927 -8.6927 -8.6609 -8.6609 -8.5805 -8.5805 -0.4168 -0.4168 0.7829 0.7829 1.2793 1.2793 1.6631 1.6631 1.8825 1.8825 2.2411 2.2411 2.4126 2.4126 3.5749 3.5749 7.3950 7.3950 8.5366 8.5366 9.3929 9.3929 9.8047 9.8047 k =-0.3462 0.1192 0.0000 ( 4355 PWs) bands (ev): -10.1317 -10.1317 -10.0463 -10.0463 -9.5636 -9.5636 -9.5599 -9.5599 -9.5439 -9.5439 -9.4271 -9.4271 -8.7179 -8.7179 -8.7107 -8.7107 -8.7040 -8.7040 -8.6934 -8.6934 -8.6611 -8.6611 -8.5822 -8.5822 -0.4472 -0.4472 0.7782 0.7782 1.2889 1.2889 1.6576 1.6576 1.8728 1.8728 2.2466 2.2466 2.5129 2.5129 3.5644 3.5644 7.3207 7.3207 8.5138 8.5138 9.3665 9.3665 9.8332 9.8332 k =-0.3654 0.1258 0.0000 ( 4355 PWs) bands (ev): -10.1291 -10.1291 -10.0461 -10.0461 -9.5635 -9.5635 -9.5600 -9.5600 -9.5429 -9.5429 -9.4300 -9.4300 -8.7176 -8.7176 -8.7108 -8.7108 -8.7034 -8.7034 -8.6939 -8.6939 -8.6612 -8.6612 -8.5838 -8.5838 -0.4742 -0.4742 0.7740 0.7740 1.2980 1.2980 1.6526 1.6526 1.8634 1.8634 2.2512 2.2512 2.6104 2.6104 3.5500 3.5500 7.2510 7.2510 8.4933 8.4933 9.3417 9.3417 9.8628 9.8628 k =-0.3846 0.1324 0.0000 ( 4347 PWs) bands (ev): -10.1267 -10.1267 -10.0460 -10.0460 -9.5634 -9.5634 -9.5601 -9.5601 -9.5419 -9.5419 -9.4327 -9.4327 -8.7172 -8.7172 -8.7108 -8.7108 -8.7031 -8.7031 -8.6942 -8.6942 -8.6614 -8.6614 -8.5852 -8.5852 -0.4975 -0.4975 0.7701 0.7701 1.3064 1.3064 1.6483 1.6483 1.8546 1.8546 2.2552 2.2552 2.7040 2.7040 3.5315 3.5315 7.1871 7.1871 8.4753 8.4753 9.3194 9.3194 9.8922 9.8922 k =-0.4038 0.1391 0.0000 ( 4351 PWs) bands (ev): -10.1246 -10.1246 -10.0459 -10.0459 -9.5632 -9.5632 -9.5602 -9.5602 -9.5410 -9.5410 -9.4351 -9.4351 -8.7168 -8.7168 -8.7110 -8.7110 -8.7029 -8.7029 -8.6943 -8.6943 -8.6616 -8.6616 -8.5864 -8.5864 -0.5173 -0.5173 0.7668 0.7668 1.3140 1.3140 1.6447 1.6447 1.8467 1.8467 2.2585 2.2585 2.7925 2.7925 3.5089 3.5089 7.1305 7.1305 8.4598 8.4598 9.3001 9.3001 9.9199 9.9199 k =-0.4231 0.1457 0.0000 ( 4341 PWs) bands (ev): -10.1228 -10.1228 -10.0458 -10.0458 -9.5632 -9.5632 -9.5603 -9.5603 -9.5402 -9.5402 -9.4371 -9.4371 -8.7165 -8.7165 -8.7111 -8.7111 -8.7028 -8.7028 -8.6943 -8.6943 -8.6618 -8.6618 -8.5874 -8.5874 -0.5335 -0.5335 0.7641 0.7641 1.3205 1.3205 1.6417 1.6417 1.8398 1.8398 2.2613 2.2613 2.8742 2.8742 3.4827 3.4827 7.0823 7.0823 8.4469 8.4469 9.2841 9.2841 9.9448 9.9448 k =-0.4423 0.1523 0.0000 ( 4348 PWs) bands (ev): -10.1213 -10.1213 -10.0458 -10.0458 -9.5631 -9.5631 -9.5604 -9.5604 -9.5396 -9.5396 -9.4388 -9.4388 -8.7163 -8.7163 -8.7113 -8.7113 -8.7028 -8.7028 -8.6942 -8.6942 -8.6621 -8.6621 -8.5883 -8.5883 -0.5461 -0.5461 0.7619 0.7619 1.3258 1.3258 1.6393 1.6393 1.8342 1.8342 2.2634 2.2634 2.9471 2.9471 3.4542 3.4542 7.0435 7.0435 8.4369 8.4369 9.2715 9.2715 9.9659 9.9659 k =-0.4615 0.1589 0.0000 ( 4344 PWs) bands (ev): -10.1203 -10.1203 -10.0458 -10.0458 -9.5630 -9.5630 -9.5604 -9.5604 -9.5391 -9.5391 -9.4400 -9.4400 -8.7160 -8.7160 -8.7114 -8.7114 -8.7028 -8.7028 -8.6941 -8.6941 -8.6622 -8.6622 -8.5889 -8.5889 -0.5552 -0.5552 0.7603 0.7603 1.3297 1.3297 1.6376 1.6376 1.8300 1.8300 2.2650 2.2650 3.0074 3.0074 3.4261 3.4261 7.0152 7.0152 8.4297 8.4297 9.2625 9.2625 9.9818 9.9818 k =-0.4808 0.1655 0.0000 ( 4344 PWs) bands (ev): -10.1196 -10.1196 -10.0458 -10.0458 -9.5630 -9.5630 -9.5604 -9.5604 -9.5388 -9.5388 -9.4408 -9.4408 -8.7159 -8.7159 -8.7115 -8.7115 -8.7028 -8.7028 -8.6940 -8.6940 -8.6623 -8.6623 -8.5892 -8.5892 -0.5606 -0.5606 0.7593 0.7593 1.3321 1.3321 1.6366 1.6366 1.8275 1.8275 2.2659 2.2659 3.0492 3.0492 3.4039 3.4039 6.9979 6.9979 8.4253 8.4253 9.2571 9.2571 9.9919 9.9919 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1194 -10.1194 -10.0458 -10.0458 -9.5629 -9.5629 -9.5604 -9.5604 -9.5386 -9.5386 -9.4410 -9.4410 -8.7158 -8.7158 -8.7115 -8.7115 -8.7028 -8.7028 -8.6940 -8.6940 -8.6623 -8.6623 -8.5893 -8.5893 -0.5624 -0.5624 0.7590 0.7590 1.3329 1.3329 1.6363 1.6363 1.8266 1.8266 2.2662 2.2662 3.0646 3.0646 3.3951 3.3951 6.9921 6.9921 8.4238 8.4238 9.2552 9.2552 9.9953 9.9953 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1194 -10.1194 -10.0458 -10.0458 -9.5629 -9.5629 -9.5604 -9.5604 -9.5386 -9.5386 -9.4410 -9.4410 -8.7158 -8.7158 -8.7115 -8.7115 -8.7028 -8.7028 -8.6940 -8.6940 -8.6623 -8.6623 -8.5893 -8.5893 -0.5624 -0.5624 0.7590 0.7590 1.3329 1.3329 1.6363 1.6363 1.8266 1.8266 2.2662 2.2662 3.0646 3.0646 3.3951 3.3951 6.9921 6.9921 8.4238 8.4238 9.2552 9.2552 9.9953 9.9953 k =-0.4933 0.1916-0.0000 ( 4342 PWs) bands (ev): -10.1192 -10.1192 -10.0457 -10.0457 -9.5630 -9.5630 -9.5604 -9.5604 -9.5387 -9.5387 -9.4410 -9.4410 -8.7158 -8.7158 -8.7115 -8.7115 -8.7028 -8.7028 -8.6940 -8.6940 -8.6623 -8.6623 -8.5894 -8.5894 -0.5628 -0.5628 0.7578 0.7578 1.3336 1.3336 1.6363 1.6363 1.8270 1.8270 2.2641 2.2641 3.0684 3.0684 3.3950 3.3950 6.9931 6.9931 8.4217 8.4217 9.2568 9.2568 9.9622 9.9622 k =-0.4866 0.2109-0.0000 ( 4346 PWs) bands (ev): -10.1185 -10.1185 -10.0453 -10.0453 -9.5630 -9.5630 -9.5604 -9.5604 -9.5387 -9.5387 -9.4412 -9.4412 -8.7157 -8.7157 -8.7116 -8.7116 -8.7027 -8.7027 -8.6941 -8.6941 -8.6623 -8.6623 -8.5896 -8.5896 -0.5643 -0.5643 0.7543 0.7543 1.3357 1.3357 1.6362 1.6362 1.8283 1.8283 2.2580 2.2580 3.0799 3.0799 3.3947 3.3947 6.9964 6.9964 8.4152 8.4152 9.2611 9.2611 9.8872 9.8872 k =-0.4800 0.2303-0.0000 ( 4338 PWs) bands (ev): -10.1175 -10.1175 -10.0447 -10.0447 -9.5629 -9.5629 -9.5602 -9.5602 -9.5387 -9.5387 -9.4414 -9.4414 -8.7156 -8.7156 -8.7116 -8.7116 -8.7025 -8.7025 -8.6941 -8.6941 -8.6623 -8.6623 -8.5899 -8.5899 -0.5666 -0.5666 0.7485 0.7485 1.3391 1.3391 1.6362 1.6362 1.8304 1.8304 2.2482 2.2482 3.0985 3.0985 3.3942 3.3942 7.0018 7.0018 8.4045 8.4045 9.2677 9.2677 9.7962 9.7962 k =-0.4733 0.2497-0.0000 ( 4342 PWs) bands (ev): -10.1160 -10.1160 -10.0439 -10.0439 -9.5629 -9.5629 -9.5601 -9.5601 -9.5387 -9.5387 -9.4417 -9.4417 -8.7155 -8.7155 -8.7117 -8.7117 -8.7023 -8.7023 -8.6943 -8.6943 -8.6623 -8.6623 -8.5904 -8.5904 -0.5699 -0.5699 0.7404 0.7404 1.3440 1.3440 1.6361 1.6361 1.8333 1.8333 2.2355 2.2355 3.1236 3.1236 3.3935 3.3935 7.0093 7.0093 8.3896 8.3896 9.2753 9.2753 9.6998 9.6998 k =-0.4666 0.2691-0.0000 ( 4338 PWs) bands (ev): -10.1141 -10.1141 -10.0428 -10.0428 -9.5628 -9.5628 -9.5600 -9.5600 -9.5386 -9.5386 -9.4420 -9.4420 -8.7153 -8.7153 -8.7118 -8.7118 -8.7021 -8.7021 -8.6944 -8.6944 -8.6623 -8.6623 -8.5909 -8.5909 -0.5742 -0.5742 0.7301 0.7301 1.3502 1.3502 1.6361 1.6361 1.8370 1.8370 2.2206 2.2206 3.1544 3.1544 3.3926 3.3926 7.0190 7.0190 8.3708 8.3708 9.2801 9.2801 9.6048 9.6048 k =-0.4599 0.2885-0.0000 ( 4342 PWs) bands (ev): -10.1118 -10.1118 -10.0415 -10.0415 -9.5627 -9.5627 -9.5599 -9.5599 -9.5387 -9.5387 -9.4424 -9.4424 -8.7151 -8.7151 -8.7120 -8.7120 -8.7018 -8.7018 -8.6945 -8.6945 -8.6623 -8.6623 -8.5916 -8.5916 -0.5793 -0.5793 0.7175 0.7175 1.3577 1.3577 1.6363 1.6363 1.8414 1.8414 2.2042 2.2042 3.1901 3.1901 3.3914 3.3914 7.0308 7.0308 8.3483 8.3483 9.2729 9.2729 9.5219 9.5219 k =-0.4533 0.3079-0.0000 ( 4338 PWs) bands (ev): -10.1091 -10.1091 -10.0400 -10.0400 -9.5626 -9.5626 -9.5597 -9.5597 -9.5387 -9.5387 -9.4429 -9.4429 -8.7148 -8.7148 -8.7122 -8.7122 -8.7015 -8.7015 -8.6947 -8.6947 -8.6623 -8.6623 -8.5924 -8.5924 -0.5852 -0.5852 0.7028 0.7028 1.3666 1.3666 1.6366 1.6366 1.8465 1.8465 2.1871 2.1871 3.2299 3.2299 3.3901 3.3901 7.0446 7.0446 8.3223 8.3223 9.2344 9.2344 9.4711 9.4711 k =-0.4466 0.3273-0.0000 ( 4342 PWs) bands (ev): -10.1061 -10.1061 -10.0383 -10.0383 -9.5625 -9.5625 -9.5595 -9.5595 -9.5386 -9.5386 -9.4435 -9.4435 -8.7145 -8.7145 -8.7124 -8.7124 -8.7011 -8.7011 -8.6949 -8.6949 -8.6622 -8.6622 -8.5934 -8.5934 -0.5920 -0.5920 0.6859 0.6859 1.3767 1.3767 1.6373 1.6373 1.8523 1.8523 2.1699 2.1699 3.2730 3.2730 3.3887 3.3887 7.0605 7.0605 8.2930 8.2930 9.1564 9.1564 9.4611 9.4611 k =-0.4399 0.3467-0.0000 ( 4338 PWs) bands (ev): -10.1027 -10.1027 -10.0365 -10.0365 -9.5624 -9.5624 -9.5593 -9.5593 -9.5386 -9.5386 -9.4442 -9.4442 -8.7141 -8.7141 -8.7126 -8.7126 -8.7006 -8.7006 -8.6951 -8.6951 -8.6622 -8.6622 -8.5944 -8.5944 -0.5995 -0.5995 0.6672 0.6672 1.3881 1.3881 1.6383 1.6383 1.8586 1.8586 2.1530 2.1530 3.3181 3.3181 3.3879 3.3879 7.0783 7.0783 8.2609 8.2609 9.0551 9.0551 9.4760 9.4760 k =-0.4332 0.3661-0.0000 ( 4338 PWs) bands (ev): -10.0990 -10.0990 -10.0344 -10.0344 -9.5623 -9.5623 -9.5590 -9.5590 -9.5384 -9.5384 -9.4450 -9.4450 -8.7138 -8.7138 -8.7129 -8.7129 -8.7001 -8.7001 -8.6953 -8.6953 -8.6621 -8.6621 -8.5956 -8.5956 -0.6078 -0.6078 0.6465 0.6465 1.4007 1.4007 1.6396 1.6396 1.8655 1.8655 2.1368 2.1368 3.3594 3.3594 3.3932 3.3932 7.0981 7.0981 8.2262 8.2262 8.9435 8.9435 9.5029 9.5029 k =-0.4265 0.3855-0.0000 ( 4346 PWs) bands (ev): -10.0949 -10.0949 -10.0322 -10.0322 -9.5622 -9.5622 -9.5588 -9.5588 -9.5383 -9.5383 -9.4458 -9.4458 -8.7135 -8.7135 -8.7132 -8.7132 -8.6997 -8.6997 -8.6954 -8.6954 -8.6621 -8.6621 -8.5969 -8.5969 -0.6167 -0.6167 0.6242 0.6242 1.4144 1.4144 1.6415 1.6415 1.8728 1.8728 2.1217 2.1217 3.3725 3.3725 3.4285 3.4285 7.1197 7.1197 8.1894 8.1894 8.8270 8.8270 9.5358 9.5358 k =-0.4199 0.4049-0.0000 ( 4354 PWs) bands (ev): -10.0906 -10.0906 -10.0299 -10.0299 -9.5621 -9.5621 -9.5586 -9.5586 -9.5381 -9.5381 -9.4468 -9.4468 -8.7136 -8.7136 -8.7130 -8.7130 -8.6992 -8.6992 -8.6955 -8.6955 -8.6620 -8.6620 -8.5983 -8.5983 -0.6261 -0.6261 0.6002 0.6002 1.4293 1.4293 1.6438 1.6438 1.8805 1.8805 2.1079 2.1079 3.3715 3.3715 3.4793 3.4793 7.1429 7.1429 8.1507 8.1507 8.7079 8.7079 9.4858 9.4858 k =-0.4132 0.4243-0.0000 ( 4358 PWs) bands (ev): -10.0861 -10.0861 -10.0274 -10.0274 -9.5619 -9.5619 -9.5583 -9.5583 -9.5379 -9.5379 -9.4478 -9.4478 -8.7139 -8.7139 -8.7126 -8.7126 -8.6989 -8.6989 -8.6954 -8.6954 -8.6620 -8.6620 -8.5997 -8.5997 -0.6361 -0.6361 0.5749 0.5749 1.4452 1.4452 1.6466 1.6466 1.8884 1.8884 2.0955 2.0955 3.3683 3.3683 3.5335 3.5335 7.1677 7.1677 8.1107 8.1107 8.5876 8.5876 9.3373 9.3373 k =-0.4065 0.4437-0.0000 ( 4352 PWs) bands (ev): -10.0813 -10.0813 -10.0248 -10.0248 -9.5618 -9.5618 -9.5581 -9.5581 -9.5375 -9.5375 -9.4489 -9.4489 -8.7143 -8.7143 -8.7122 -8.7122 -8.6987 -8.6987 -8.6951 -8.6951 -8.6619 -8.6619 -8.6013 -8.6013 -0.6464 -0.6464 0.5485 0.5485 1.4620 1.4620 1.6499 1.6499 1.8965 1.8965 2.0847 2.0847 3.3643 3.3643 3.5895 3.5895 7.1938 7.1938 8.0696 8.0696 8.4670 8.4670 9.1882 9.1882 k =-0.3998 0.4631-0.0000 ( 4352 PWs) bands (ev): -10.0764 -10.0764 -10.0222 -10.0222 -9.5616 -9.5616 -9.5578 -9.5578 -9.5371 -9.5371 -9.4501 -9.4501 -8.7146 -8.7146 -8.7117 -8.7117 -8.6988 -8.6988 -8.6946 -8.6946 -8.6617 -8.6617 -8.6030 -8.6030 -0.6570 -0.6570 0.5210 0.5210 1.4798 1.4798 1.6537 1.6537 1.9047 1.9047 2.0753 2.0753 3.3599 3.3599 3.6468 3.6468 7.2209 7.2209 8.0279 8.0279 8.3469 8.3469 9.0403 9.0403 k =-0.3932 0.4825-0.0000 ( 4356 PWs) bands (ev): -10.0713 -10.0713 -10.0195 -10.0195 -9.5615 -9.5615 -9.5576 -9.5576 -9.5366 -9.5366 -9.4515 -9.4515 -8.7150 -8.7150 -8.7113 -8.7113 -8.6989 -8.6989 -8.6940 -8.6940 -8.6616 -8.6616 -8.6048 -8.6048 -0.6678 -0.6678 0.4927 0.4927 1.4984 1.4984 1.6579 1.6579 1.9128 1.9128 2.0675 2.0675 3.3552 3.3552 3.7051 3.7051 7.2485 7.2485 7.9858 7.9858 8.2282 8.2282 8.8943 8.8943 k =-0.3865 0.5019-0.0000 ( 4354 PWs) bands (ev): -10.0661 -10.0661 -10.0167 -10.0167 -9.5613 -9.5613 -9.5573 -9.5573 -9.5360 -9.5360 -9.4529 -9.4529 -8.7153 -8.7153 -8.7108 -8.7108 -8.6992 -8.6992 -8.6932 -8.6932 -8.6614 -8.6614 -8.6066 -8.6066 -0.6786 -0.6786 0.4639 0.4639 1.5177 1.5177 1.6626 1.6626 1.9208 1.9208 2.0612 2.0612 3.3503 3.3503 3.7642 3.7642 7.2760 7.2760 7.9432 7.9432 8.1122 8.1122 8.7508 8.7508 k =-0.3798 0.5212-0.0000 ( 4356 PWs) bands (ev): -10.0608 -10.0608 -10.0139 -10.0139 -9.5612 -9.5612 -9.5571 -9.5571 -9.5352 -9.5352 -9.4544 -9.4544 -8.7156 -8.7156 -8.7103 -8.7103 -8.6995 -8.6995 -8.6923 -8.6923 -8.6612 -8.6612 -8.6085 -8.6085 -0.6894 -0.6894 0.4348 0.4348 1.5375 1.5375 1.6675 1.6675 1.9286 1.9286 2.0563 2.0563 3.3454 3.3454 3.8238 3.8238 7.3022 7.3022 7.8980 7.8980 8.0027 8.0027 8.6104 8.6104 k =-0.3731 0.5406-0.0000 ( 4352 PWs) bands (ev): -10.0554 -10.0554 -10.0112 -10.0112 -9.5610 -9.5610 -9.5569 -9.5569 -9.5343 -9.5343 -9.4560 -9.4560 -8.7159 -8.7159 -8.7098 -8.7098 -8.6998 -8.6998 -8.6913 -8.6913 -8.6610 -8.6610 -8.6105 -8.6105 -0.7000 -0.7000 0.4055 0.4055 1.5579 1.5579 1.6727 1.6727 1.9360 1.9360 2.0528 2.0528 3.3407 3.3407 3.8838 3.8838 7.3252 7.3252 7.8384 7.8384 7.9138 7.9138 8.4737 8.4737 k =-0.3664 0.5600-0.0000 ( 4348 PWs) bands (ev): -10.0501 -10.0501 -10.0084 -10.0084 -9.5609 -9.5609 -9.5567 -9.5567 -9.5333 -9.5333 -9.4577 -9.4577 -8.7162 -8.7162 -8.7093 -8.7093 -8.7002 -8.7002 -8.6903 -8.6903 -8.6607 -8.6607 -8.6126 -8.6126 -0.7103 -0.7103 0.3763 0.3763 1.5784 1.5784 1.6780 1.6780 1.9430 1.9430 2.0505 2.0505 3.3364 3.3364 3.9440 3.9440 7.3417 7.3417 7.7515 7.7515 7.8619 7.8619 8.3416 8.3416 k =-0.3598 0.5794-0.0000 ( 4352 PWs) bands (ev): -10.0448 -10.0448 -10.0057 -10.0057 -9.5608 -9.5608 -9.5566 -9.5566 -9.5321 -9.5321 -9.4596 -9.4596 -8.7165 -8.7165 -8.7089 -8.7089 -8.7006 -8.7006 -8.6892 -8.6892 -8.6603 -8.6603 -8.6147 -8.6147 -0.7201 -0.7201 0.3475 0.3475 1.5988 1.5988 1.6837 1.6837 1.9494 1.9494 2.0493 2.0493 3.3326 3.3326 4.0041 4.0041 7.3455 7.3455 7.6601 7.6601 7.8305 7.8305 8.2149 8.2149 k =-0.3531 0.5988-0.0000 ( 4348 PWs) bands (ev): -10.0396 -10.0396 -10.0031 -10.0031 -9.5606 -9.5606 -9.5565 -9.5565 -9.5307 -9.5307 -9.4615 -9.4615 -8.7167 -8.7167 -8.7085 -8.7085 -8.7010 -8.7010 -8.6881 -8.6881 -8.6600 -8.6600 -8.6169 -8.6169 -0.7293 -0.7293 0.3191 0.3191 1.6185 1.6185 1.6899 1.6899 1.9551 1.9551 2.0491 2.0491 3.3295 3.3295 4.0638 4.0638 7.3264 7.3264 7.5823 7.5823 7.8114 7.8114 8.0949 8.0949 k =-0.3464 0.6182-0.0000 ( 4352 PWs) bands (ev): -10.0345 -10.0345 -10.0006 -10.0006 -9.5605 -9.5605 -9.5565 -9.5565 -9.5292 -9.5292 -9.4635 -9.4635 -8.7170 -8.7170 -8.7081 -8.7081 -8.7014 -8.7014 -8.6871 -8.6871 -8.6595 -8.6595 -8.6191 -8.6191 -0.7378 -0.7378 0.2914 0.2914 1.6365 1.6365 1.6973 1.6973 1.9601 1.9601 2.0498 2.0498 3.3273 3.3273 4.1229 4.1229 7.2760 7.2760 7.5257 7.5257 7.8047 7.8047 7.9832 7.9832 k =-0.3397 0.6376-0.0000 ( 4354 PWs) bands (ev): -10.0296 -10.0296 -9.9982 -9.9982 -9.5604 -9.5604 -9.5564 -9.5564 -9.5275 -9.5275 -9.4656 -9.4656 -8.7172 -8.7172 -8.7077 -8.7077 -8.7018 -8.7018 -8.6860 -8.6860 -8.6591 -8.6591 -8.6213 -8.6213 -0.7453 -0.7453 0.2645 0.2645 1.6511 1.6511 1.7072 1.7072 1.9642 1.9642 2.0512 2.0512 3.3263 3.3263 4.1810 4.1810 7.1996 7.1996 7.4827 7.4827 7.8103 7.8103 7.8828 7.8828 k =-0.3331 0.6570-0.0000 ( 4348 PWs) bands (ev): -10.0248 -10.0248 -9.9960 -9.9960 -9.5603 -9.5603 -9.5564 -9.5564 -9.5256 -9.5256 -9.4677 -9.4677 -8.7173 -8.7173 -8.7074 -8.7074 -8.7022 -8.7022 -8.6849 -8.6849 -8.6584 -8.6584 -8.6235 -8.6235 -0.7519 -0.7519 0.2387 0.2387 1.6607 1.6607 1.7210 1.7210 1.9673 1.9673 2.0532 2.0532 3.3265 3.3265 4.2378 4.2378 7.1103 7.1103 7.4399 7.4399 7.7886 7.7886 7.8352 7.8352 k =-0.3264 0.6764-0.0000 ( 4355 PWs) bands (ev): -10.0203 -10.0203 -9.9939 -9.9939 -9.5602 -9.5602 -9.5564 -9.5564 -9.5236 -9.5236 -9.4700 -9.4700 -8.7175 -8.7175 -8.7071 -8.7071 -8.7025 -8.7025 -8.6839 -8.6839 -8.6578 -8.6578 -8.6258 -8.6258 -0.7574 -0.7574 0.2141 0.2141 1.6652 1.6652 1.7384 1.7384 1.9693 1.9693 2.0557 2.0557 3.3282 3.3282 4.2928 4.2928 7.0162 7.0162 7.3897 7.3897 7.7177 7.7177 7.8620 7.8620 k =-0.3197 0.6958-0.0000 ( 4363 PWs) bands (ev): -10.0162 -10.0162 -9.9920 -9.9920 -9.5601 -9.5601 -9.5565 -9.5565 -9.5214 -9.5214 -9.4723 -9.4723 -8.7176 -8.7176 -8.7069 -8.7069 -8.7029 -8.7029 -8.6829 -8.6829 -8.6571 -8.6571 -8.6280 -8.6280 -0.7616 -0.7616 0.1908 0.1908 1.6657 1.6657 1.7580 1.7580 1.9701 1.9701 2.0588 2.0588 3.3315 3.3315 4.3455 4.3455 6.9215 6.9215 7.3312 7.3312 7.6608 7.6608 7.8982 7.8982 k =-0.3130 0.7152-0.0000 ( 4353 PWs) bands (ev): -10.0123 -10.0123 -9.9902 -9.9902 -9.5600 -9.5600 -9.5565 -9.5565 -9.5191 -9.5191 -9.4746 -9.4746 -8.7175 -8.7175 -8.7067 -8.7067 -8.7031 -8.7031 -8.6819 -8.6819 -8.6562 -8.6562 -8.6302 -8.6302 -0.7644 -0.7644 0.1690 0.1690 1.6629 1.6629 1.7788 1.7788 1.9695 1.9695 2.0621 2.0621 3.3363 3.3363 4.3953 4.3953 6.8281 6.8281 7.2671 7.2671 7.6179 7.6179 7.9402 7.9402 k =-0.3063 0.7346-0.0000 ( 4353 PWs) bands (ev): -10.0089 -10.0089 -9.9886 -9.9886 -9.5600 -9.5600 -9.5565 -9.5565 -9.5167 -9.5167 -9.4769 -9.4769 -8.7175 -8.7175 -8.7067 -8.7067 -8.7034 -8.7034 -8.6810 -8.6810 -8.6553 -8.6553 -8.6324 -8.6324 -0.7658 -0.7658 0.1487 0.1487 1.6572 1.6572 1.8000 1.8000 1.9674 1.9674 2.0658 2.0658 3.3429 3.3429 4.4415 4.4415 6.7372 6.7372 7.2018 7.2018 7.5862 7.5862 7.9861 7.9861 k =-0.2997 0.7540-0.0000 ( 4343 PWs) bands (ev): -10.0059 -10.0059 -9.9872 -9.9872 -9.5599 -9.5599 -9.5565 -9.5565 -9.5141 -9.5141 -9.4791 -9.4791 -8.7174 -8.7174 -8.7067 -8.7067 -8.7035 -8.7035 -8.6801 -8.6801 -8.6543 -8.6543 -8.6344 -8.6344 -0.7655 -0.7655 0.1302 0.1302 1.6489 1.6489 1.8212 1.8212 1.9637 1.9637 2.0698 2.0698 3.3510 3.3510 4.4835 4.4835 6.6495 6.6495 7.1391 7.1391 7.5633 7.5633 8.0351 8.0351 k =-0.2930 0.7734-0.0000 ( 4355 PWs) bands (ev): -10.0035 -10.0035 -9.9859 -9.9859 -9.5600 -9.5600 -9.5566 -9.5566 -9.5117 -9.5117 -9.4813 -9.4813 -8.7173 -8.7173 -8.7069 -8.7069 -8.7037 -8.7037 -8.6793 -8.6793 -8.6533 -8.6533 -8.6364 -8.6364 -0.7636 -0.7636 0.1135 0.1135 1.6381 1.6381 1.8421 1.8421 1.9584 1.9584 2.0738 2.0738 3.3605 3.3605 4.5205 4.5205 6.5657 6.5657 7.0821 7.0821 7.5474 7.5474 8.0862 8.0862 k =-0.2863 0.7928-0.0000 ( 4363 PWs) bands (ev): -10.0016 -10.0016 -9.9847 -9.9847 -9.5600 -9.5600 -9.5567 -9.5567 -9.5094 -9.5094 -9.4831 -9.4831 -8.7172 -8.7172 -8.7071 -8.7071 -8.7037 -8.7037 -8.6786 -8.6786 -8.6524 -8.6524 -8.6381 -8.6381 -0.7599 -0.7599 0.0986 0.0986 1.6248 1.6248 1.8626 1.8626 1.9515 1.9515 2.0780 2.0780 3.3713 3.3713 4.5518 4.5518 6.4863 6.4863 7.0330 7.0330 7.5375 7.5375 8.1389 8.1389 k =-0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0003 -10.0003 -9.9836 -9.9836 -9.5600 -9.5600 -9.5568 -9.5568 -9.5075 -9.5075 -9.4845 -9.4845 -8.7171 -8.7171 -8.7073 -8.7073 -8.7038 -8.7038 -8.6779 -8.6779 -8.6517 -8.6517 -8.6394 -8.6394 -0.7543 -0.7543 0.0858 0.0858 1.6090 1.6090 1.8824 1.8824 1.9428 1.9428 2.0822 2.0822 3.3830 3.3830 4.5766 4.5766 6.4119 6.4119 6.9934 6.9934 7.5330 7.5330 8.1928 8.1928 k =-0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0003 -10.0003 -9.9836 -9.9836 -9.5600 -9.5600 -9.5568 -9.5568 -9.5075 -9.5075 -9.4845 -9.4845 -8.7171 -8.7171 -8.7073 -8.7073 -8.7038 -8.7038 -8.6779 -8.6779 -8.6517 -8.6517 -8.6394 -8.6394 -0.7543 -0.7543 0.0858 0.0858 1.6090 1.6090 1.8824 1.8824 1.9428 1.9428 2.0822 2.0822 3.3830 3.3830 4.5766 4.5766 6.4119 6.4119 6.9934 6.9934 7.5330 7.5330 8.1928 8.1928 k =-0.2796 0.8122 0.0204 ( 4369 PWs) bands (ev): -10.0005 -10.0005 -9.9838 -9.9838 -9.5601 -9.5601 -9.5567 -9.5567 -9.5074 -9.5074 -9.4843 -9.4843 -8.7170 -8.7170 -8.7073 -8.7073 -8.7037 -8.7037 -8.6779 -8.6779 -8.6517 -8.6517 -8.6393 -8.6393 -0.7531 -0.7531 0.0865 0.0865 1.6056 1.6056 1.8834 1.8834 1.9409 1.9409 2.0817 2.0817 3.3832 3.3832 4.5705 4.5705 6.4127 6.4127 6.9973 6.9973 7.5382 7.5382 8.1899 8.1899 k =-0.2796 0.8122 0.0409 ( 4363 PWs) bands (ev): -10.0012 -10.0012 -9.9844 -9.9844 -9.5600 -9.5600 -9.5563 -9.5563 -9.5070 -9.5070 -9.4837 -9.4837 -8.7168 -8.7168 -8.7070 -8.7070 -8.7036 -8.7036 -8.6779 -8.6779 -8.6516 -8.6516 -8.6389 -8.6389 -0.7493 -0.7493 0.0887 0.0887 1.5956 1.5956 1.8861 1.8861 1.9353 1.9353 2.0801 2.0801 3.3839 3.3839 4.5527 4.5527 6.4151 6.4151 7.0089 7.0089 7.5538 7.5538 8.1814 8.1814 k =-0.2796 0.8122 0.0613 ( 4361 PWs) bands (ev): -10.0022 -10.0022 -9.9855 -9.9855 -9.5601 -9.5601 -9.5558 -9.5558 -9.5066 -9.5066 -9.4827 -9.4827 -8.7165 -8.7165 -8.7067 -8.7067 -8.7035 -8.7035 -8.6778 -8.6778 -8.6515 -8.6515 -8.6382 -8.6382 -0.7430 -0.7430 0.0924 0.0924 1.5797 1.5797 1.8899 1.8899 1.9263 1.9263 2.0773 2.0773 3.3849 3.3849 4.5236 4.5236 6.4190 6.4190 7.0281 7.0281 7.5791 7.5791 8.1686 8.1686 k =-0.2796 0.8122 0.0817 ( 4351 PWs) bands (ev): -10.0035 -10.0035 -9.9869 -9.9869 -9.5601 -9.5601 -9.5551 -9.5551 -9.5058 -9.5058 -9.4813 -9.4813 -8.7161 -8.7161 -8.7062 -8.7062 -8.7033 -8.7033 -8.6778 -8.6778 -8.6512 -8.6512 -8.6373 -8.6373 -0.7342 -0.7342 0.0975 0.0975 1.5584 1.5584 1.8930 1.8930 1.9157 1.9157 2.0731 2.0731 3.3859 3.3859 4.4842 4.4842 6.4245 6.4245 7.0546 7.0546 7.6129 7.6129 8.1530 8.1530 k =-0.2796 0.8122 0.1022 ( 4347 PWs) bands (ev): -10.0053 -10.0053 -9.9887 -9.9887 -9.5601 -9.5601 -9.5543 -9.5543 -9.5049 -9.5049 -9.4797 -9.4797 -8.7156 -8.7156 -8.7056 -8.7056 -8.7030 -8.7030 -8.6778 -8.6778 -8.6508 -8.6508 -8.6362 -8.6362 -0.7229 -0.7229 0.1040 0.1040 1.5326 1.5326 1.8885 1.8885 1.9100 1.9100 2.0673 2.0673 3.3867 3.3867 4.4356 4.4356 6.4315 6.4315 7.0880 7.0880 7.6539 7.6539 8.1364 8.1364 k =-0.2796 0.8122 0.1226 ( 4351 PWs) bands (ev): -10.0074 -10.0074 -9.9909 -9.9909 -9.5601 -9.5601 -9.5533 -9.5533 -9.5038 -9.5038 -9.4777 -9.4777 -8.7151 -8.7151 -8.7051 -8.7051 -8.7025 -8.7025 -8.6779 -8.6779 -8.6502 -8.6502 -8.6349 -8.6349 -0.7090 -0.7090 0.1118 0.1118 1.5029 1.5029 1.8729 1.8729 1.9128 1.9128 2.0598 2.0598 3.3870 3.3870 4.3792 4.3792 6.4400 6.4400 7.1281 7.1281 7.7005 7.7005 8.1205 8.1205 k =-0.2796 0.8122 0.1430 ( 4353 PWs) bands (ev): -10.0097 -10.0097 -9.9935 -9.9935 -9.5601 -9.5601 -9.5524 -9.5524 -9.5024 -9.5024 -9.4754 -9.4754 -8.7145 -8.7145 -8.7047 -8.7047 -8.7019 -8.7019 -8.6780 -8.6780 -8.6494 -8.6494 -8.6335 -8.6335 -0.6927 -0.6927 0.1210 0.1210 1.4700 1.4700 1.8526 1.8526 1.9177 1.9177 2.0505 2.0505 3.3864 3.3864 4.3163 4.3163 6.4500 6.4500 7.1743 7.1743 7.7510 7.7510 8.1068 8.1068 k =-0.2796 0.8122 0.1635 ( 4354 PWs) bands (ev): -10.0124 -10.0124 -9.9963 -9.9963 -9.5600 -9.5600 -9.5514 -9.5514 -9.5008 -9.5008 -9.4729 -9.4729 -8.7139 -8.7139 -8.7042 -8.7042 -8.7010 -8.7010 -8.6781 -8.6781 -8.6484 -8.6484 -8.6319 -8.6319 -0.6739 -0.6739 0.1315 0.1315 1.4345 1.4345 1.8297 1.8297 1.9224 1.9224 2.0393 2.0393 3.3845 3.3845 4.2483 4.2483 6.4614 6.4614 7.2261 7.2261 7.8035 7.8035 8.0969 8.0969 k =-0.2796 0.8122 0.1839 ( 4357 PWs) bands (ev): -10.0153 -10.0153 -9.9994 -9.9994 -9.5600 -9.5600 -9.5504 -9.5504 -9.4990 -9.4990 -9.4702 -9.4702 -8.7132 -8.7132 -8.7038 -8.7038 -8.7001 -8.7001 -8.6782 -8.6782 -8.6471 -8.6471 -8.6302 -8.6302 -0.6526 -0.6526 0.1431 0.1431 1.3968 1.3968 1.8051 1.8051 1.9264 1.9264 2.0264 2.0264 3.3811 3.3811 4.1764 4.1764 6.4744 6.4744 7.2829 7.2829 7.8560 7.8560 8.0918 8.0918 k =-0.2796 0.8122 0.2043 ( 4358 PWs) bands (ev): -10.0184 -10.0184 -10.0028 -10.0028 -9.5599 -9.5599 -9.5494 -9.5494 -9.4969 -9.4969 -9.4673 -9.4673 -8.7127 -8.7127 -8.7034 -8.7034 -8.6990 -8.6990 -8.6784 -8.6784 -8.6456 -8.6456 -8.6284 -8.6284 -0.6288 -0.6288 0.1559 0.1559 1.3574 1.3574 1.7791 1.7791 1.9288 1.9288 2.0119 2.0119 3.3758 3.3758 4.1019 4.1019 6.4889 6.4889 7.3441 7.3441 7.9063 7.9063 8.0930 8.0930 k =-0.2796 0.8122 0.2248 ( 4360 PWs) bands (ev): -10.0217 -10.0217 -10.0063 -10.0063 -9.5599 -9.5599 -9.5484 -9.5484 -9.4945 -9.4945 -9.4643 -9.4643 -8.7121 -8.7121 -8.7030 -8.7030 -8.6978 -8.6978 -8.6785 -8.6785 -8.6438 -8.6438 -8.6265 -8.6265 -0.6026 -0.6026 0.1697 0.1697 1.3168 1.3168 1.7523 1.7523 1.9285 1.9285 1.9970 1.9970 3.3685 3.3685 4.0259 4.0259 6.5050 6.5050 7.4089 7.4089 7.9523 7.9523 8.1014 8.1014 k =-0.2796 0.8122 0.2452 ( 4360 PWs) bands (ev): -10.0251 -10.0251 -10.0101 -10.0101 -9.5598 -9.5598 -9.5476 -9.5476 -9.4920 -9.4920 -9.4612 -9.4612 -8.7116 -8.7116 -8.7025 -8.7025 -8.6967 -8.6967 -8.6785 -8.6785 -8.6418 -8.6418 -8.6245 -8.6245 -0.5739 -0.5739 0.1844 0.1844 1.2752 1.2752 1.7249 1.7249 1.9232 1.9232 1.9837 1.9837 3.3590 3.3590 3.9494 3.9494 6.5228 6.5228 7.4766 7.4766 7.9923 7.9923 8.1179 8.1179 k =-0.2796 0.8122 0.2656 ( 4358 PWs) bands (ev): -10.0286 -10.0286 -10.0139 -10.0139 -9.5596 -9.5596 -9.5468 -9.5468 -9.4892 -9.4892 -9.4580 -9.4580 -8.7112 -8.7112 -8.7019 -8.7019 -8.6954 -8.6954 -8.6785 -8.6785 -8.6396 -8.6396 -8.6224 -8.6224 -0.5429 -0.5429 0.1999 0.1999 1.2331 1.2331 1.6974 1.6974 1.9100 1.9100 1.9746 1.9746 3.3471 3.3471 3.8733 3.8733 6.5424 6.5424 7.5463 7.5463 8.0262 8.0262 8.1415 8.1415 k =-0.2796 0.8122 0.2861 ( 4356 PWs) bands (ev): -10.0322 -10.0322 -10.0179 -10.0179 -9.5595 -9.5595 -9.5461 -9.5461 -9.4863 -9.4863 -9.4548 -9.4548 -8.7109 -8.7109 -8.7014 -8.7014 -8.6942 -8.6942 -8.6785 -8.6785 -8.6373 -8.6373 -8.6202 -8.6202 -0.5094 -0.5094 0.2161 0.2161 1.1907 1.1907 1.6699 1.6699 1.8887 1.8887 1.9699 1.9699 3.3330 3.3330 3.7985 3.7985 6.5638 6.5638 7.6169 7.6169 8.0559 8.0559 8.1694 8.1694 k =-0.2796 0.8122 0.3065 ( 4358 PWs) bands (ev): -10.0358 -10.0358 -10.0219 -10.0219 -9.5593 -9.5593 -9.5455 -9.5455 -9.4833 -9.4833 -9.4515 -9.4515 -8.7107 -8.7107 -8.7010 -8.7010 -8.6930 -8.6930 -8.6783 -8.6783 -8.6348 -8.6348 -8.6179 -8.6179 -0.4735 -0.4735 0.2329 0.2329 1.1484 1.1484 1.6427 1.6427 1.8613 1.8613 1.9675 1.9675 3.3167 3.3167 3.7257 3.7257 6.5873 6.5873 7.6871 7.6871 8.0840 8.0840 8.1985 8.1985 k =-0.2796 0.8122 0.3269 ( 4361 PWs) bands (ev): -10.0393 -10.0393 -10.0259 -10.0259 -9.5592 -9.5592 -9.5450 -9.5450 -9.4801 -9.4801 -9.4484 -9.4484 -8.7105 -8.7105 -8.7007 -8.7007 -8.6919 -8.6919 -8.6780 -8.6780 -8.6321 -8.6321 -8.6156 -8.6156 -0.4353 -0.4353 0.2501 0.2501 1.1064 1.1064 1.6160 1.6160 1.8295 1.8295 1.9657 1.9657 3.2984 3.2984 3.6554 3.6554 6.6129 6.6129 7.7556 7.7556 8.1117 8.1117 8.2272 8.2272 k =-0.2796 0.8122 0.3474 ( 4358 PWs) bands (ev): -10.0429 -10.0429 -10.0300 -10.0300 -9.5590 -9.5590 -9.5445 -9.5445 -9.4769 -9.4769 -9.4452 -9.4452 -8.7103 -8.7103 -8.7004 -8.7004 -8.6908 -8.6908 -8.6776 -8.6776 -8.6294 -8.6294 -8.6132 -8.6132 -0.3947 -0.3947 0.2676 0.2676 1.0650 1.0650 1.5895 1.5895 1.7944 1.7944 1.9637 1.9637 3.2783 3.2783 3.5883 3.5883 6.6407 6.6407 7.8203 7.8203 8.1392 8.1392 8.2559 8.2559 k =-0.2796 0.8122 0.3678 ( 4358 PWs) bands (ev): -10.0463 -10.0463 -10.0339 -10.0339 -9.5588 -9.5588 -9.5442 -9.5442 -9.4736 -9.4736 -9.4422 -9.4422 -8.7101 -8.7101 -8.7003 -8.7003 -8.6897 -8.6897 -8.6770 -8.6770 -8.6266 -8.6266 -8.6109 -8.6109 -0.3519 -0.3519 0.2852 0.2852 1.0244 1.0244 1.5631 1.5631 1.7572 1.7572 1.9609 1.9609 3.2568 3.2568 3.5248 3.5248 6.6707 6.6707 7.8786 7.8786 8.1660 8.1660 8.2864 8.2864 k =-0.2796 0.8122 0.3882 ( 4360 PWs) bands (ev): -10.0497 -10.0497 -10.0379 -10.0379 -9.5586 -9.5586 -9.5439 -9.5439 -9.4704 -9.4704 -9.4393 -9.4393 -8.7100 -8.7100 -8.7003 -8.7003 -8.6887 -8.6887 -8.6764 -8.6764 -8.6237 -8.6237 -8.6085 -8.6085 -0.3068 -0.3068 0.3028 0.3028 0.9848 0.9848 1.5357 1.5357 1.7192 1.7192 1.9571 1.9571 3.2341 3.2341 3.4651 3.4651 6.7031 6.7031 7.9270 7.9270 8.1921 8.1921 8.3207 8.3207 k =-0.2796 0.8122 0.4086 ( 4358 PWs) bands (ev): -10.0529 -10.0529 -10.0417 -10.0417 -9.5584 -9.5584 -9.5437 -9.5437 -9.4672 -9.4672 -9.4365 -9.4365 -8.7099 -8.7099 -8.7003 -8.7003 -8.6878 -8.6878 -8.6756 -8.6756 -8.6208 -8.6208 -8.6062 -8.6062 -0.2596 -0.2596 0.3202 0.3202 0.9464 0.9464 1.5059 1.5059 1.6824 1.6824 1.9519 1.9519 3.2107 3.2107 3.4096 3.4096 6.7378 6.7378 7.9616 7.9616 8.2195 8.2195 8.3600 8.3600 k =-0.2796 0.8122 0.4291 ( 4352 PWs) bands (ev): -10.0560 -10.0560 -10.0454 -10.0454 -9.5582 -9.5582 -9.5435 -9.5435 -9.4640 -9.4640 -9.4338 -9.4338 -8.7097 -8.7097 -8.7005 -8.7005 -8.6869 -8.6869 -8.6748 -8.6748 -8.6179 -8.6179 -8.6039 -8.6039 -0.2102 -0.2102 0.3373 0.3373 0.9094 0.9094 1.4717 1.4717 1.6495 1.6495 1.9452 1.9452 3.1870 3.1870 3.3583 3.3583 6.7748 6.7748 7.9794 7.9794 8.2507 8.2507 8.4036 8.4036 k =-0.2796 0.8122 0.4495 ( 4346 PWs) bands (ev): -10.0589 -10.0589 -10.0489 -10.0489 -9.5579 -9.5579 -9.5433 -9.5433 -9.4610 -9.4610 -9.4313 -9.4313 -8.7096 -8.7096 -8.7008 -8.7008 -8.6860 -8.6860 -8.6740 -8.6740 -8.6149 -8.6149 -8.6017 -8.6017 -0.1587 -0.1587 0.3540 0.3540 0.8739 0.8739 1.4311 1.4311 1.6228 1.6228 1.9368 1.9368 3.1635 3.1635 3.3112 3.3112 6.8140 6.8140 7.9804 7.9804 8.2868 8.2868 8.4500 8.4500 k =-0.2796 0.8122 0.4699 ( 4346 PWs) bands (ev): -10.0616 -10.0616 -10.0523 -10.0523 -9.5577 -9.5577 -9.5433 -9.5433 -9.4581 -9.4581 -9.4290 -9.4290 -8.7095 -8.7095 -8.7011 -8.7011 -8.6852 -8.6852 -8.6733 -8.6733 -8.6121 -8.6121 -8.5996 -8.5996 -0.1053 -0.1053 0.3701 0.3701 0.8400 0.8400 1.3834 1.3834 1.6036 1.6036 1.9267 1.9267 3.1405 3.1405 3.2684 3.2684 6.8555 6.8555 7.9671 7.9671 8.3263 8.3263 8.4973 8.4973 k =-0.2796 0.8122 0.4904 ( 4346 PWs) bands (ev): -10.0641 -10.0641 -10.0555 -10.0555 -9.5575 -9.5575 -9.5432 -9.5432 -9.4553 -9.4553 -9.4268 -9.4268 -8.7093 -8.7093 -8.7015 -8.7015 -8.6845 -8.6845 -8.6725 -8.6725 -8.6093 -8.6093 -8.5977 -8.5977 -0.0500 -0.0500 0.3857 0.3857 0.8079 0.8079 1.3292 1.3292 1.5915 1.5915 1.9148 1.9148 3.1186 3.1186 3.2296 3.2296 6.8991 6.8991 7.9426 7.9426 8.3672 8.3672 8.5438 8.5438 k =-0.2796 0.8122 0.5108 ( 4352 PWs) bands (ev): -10.0664 -10.0664 -10.0585 -10.0585 -9.5573 -9.5573 -9.5432 -9.5432 -9.4528 -9.4528 -9.4249 -9.4249 -8.7092 -8.7092 -8.7019 -8.7019 -8.6838 -8.6838 -8.6719 -8.6719 -8.6067 -8.6067 -8.5959 -8.5959 0.0070 0.0070 0.4006 0.4006 0.7777 0.7777 1.2698 1.2698 1.5859 1.5859 1.9010 1.9010 3.0981 3.0981 3.1949 3.1949 6.9447 6.9447 7.9098 7.9098 8.4080 8.4080 8.5880 8.5880 k =-0.2796 0.8122 0.5312 ( 4348 PWs) bands (ev): -10.0685 -10.0685 -10.0612 -10.0612 -9.5571 -9.5571 -9.5432 -9.5432 -9.4504 -9.4504 -9.4232 -9.4232 -8.7090 -8.7090 -8.7022 -8.7022 -8.6832 -8.6832 -8.6713 -8.6713 -8.6041 -8.6041 -8.5944 -8.5944 0.0656 0.0656 0.4149 0.4149 0.7495 0.7495 1.2067 1.2067 1.5856 1.5856 1.8853 1.8853 3.0794 3.0794 3.1640 3.1640 6.9921 6.9921 7.8707 7.8707 8.4475 8.4475 8.6285 8.6285 k =-0.2796 0.8122 0.5517 ( 4344 PWs) bands (ev): -10.0703 -10.0703 -10.0637 -10.0637 -9.5569 -9.5569 -9.5433 -9.5433 -9.4482 -9.4482 -9.4216 -9.4216 -8.7089 -8.7089 -8.7026 -8.7026 -8.6826 -8.6826 -8.6707 -8.6707 -8.6017 -8.6017 -8.5930 -8.5930 0.1254 0.1254 0.4285 0.4285 0.7235 0.7235 1.1409 1.1409 1.5899 1.5899 1.8679 1.8679 3.0627 3.0627 3.1368 3.1368 7.0411 7.0411 7.8268 7.8268 8.4849 8.4849 8.6646 8.6646 k =-0.2796 0.8122 0.5721 ( 4339 PWs) bands (ev): -10.0718 -10.0718 -10.0659 -10.0659 -9.5567 -9.5567 -9.5433 -9.5433 -9.4463 -9.4463 -9.4203 -9.4203 -8.7087 -8.7087 -8.7030 -8.7030 -8.6821 -8.6821 -8.6702 -8.6702 -8.5994 -8.5994 -8.5919 -8.5919 0.1862 0.1862 0.4414 0.4414 0.7001 0.7001 1.0733 1.0733 1.5982 1.5982 1.8488 1.8488 3.0482 3.0482 3.1132 3.1132 7.0916 7.0916 7.7792 7.7792 8.5193 8.5193 8.6957 8.6957 k =-0.2796 0.8122 0.5925 ( 4337 PWs) bands (ev): -10.0731 -10.0731 -10.0678 -10.0678 -9.5566 -9.5566 -9.5433 -9.5433 -9.4446 -9.4446 -9.4192 -9.4192 -8.7085 -8.7085 -8.7034 -8.7034 -8.6816 -8.6816 -8.6697 -8.6697 -8.5974 -8.5974 -8.5910 -8.5910 0.2474 0.2474 0.4535 0.4535 0.6796 0.6796 1.0048 1.0048 1.6099 1.6099 1.8284 1.8284 3.0362 3.0362 3.0931 3.0931 7.1431 7.1431 7.7292 7.7292 8.5503 8.5503 8.7214 8.7214 k =-0.2796 0.8122 0.6130 ( 4337 PWs) bands (ev): -10.0741 -10.0741 -10.0695 -10.0695 -9.5564 -9.5564 -9.5433 -9.5433 -9.4432 -9.4432 -9.4183 -9.4183 -8.7084 -8.7084 -8.7037 -8.7037 -8.6813 -8.6813 -8.6694 -8.6694 -8.5955 -8.5955 -8.5904 -8.5904 0.3079 0.3079 0.4647 0.4647 0.6628 0.6628 0.9363 0.9363 1.6244 1.6244 1.8070 1.8070 3.0266 3.0266 3.0764 3.0764 7.1951 7.1951 7.6777 7.6777 8.5770 8.5770 8.7417 8.7417 k =-0.2796 0.8122 0.6334 ( 4336 PWs) bands (ev): -10.0749 -10.0749 -10.0708 -10.0708 -9.5563 -9.5563 -9.5434 -9.5434 -9.4421 -9.4421 -9.4176 -9.4176 -8.7082 -8.7082 -8.7040 -8.7040 -8.6810 -8.6810 -8.6691 -8.6691 -8.5939 -8.5939 -8.5901 -8.5901 0.3658 0.3658 0.4746 0.4746 0.6515 0.6515 0.8688 0.8688 1.6411 1.6411 1.7852 1.7852 3.0194 3.0194 3.0632 3.0632 7.2467 7.2467 7.6262 7.6262 8.5989 8.5989 8.7569 8.7569 k =-0.2796 0.8122 0.6538 ( 4336 PWs) bands (ev): -10.0754 -10.0754 -10.0718 -10.0718 -9.5563 -9.5563 -9.5434 -9.5434 -9.4414 -9.4414 -9.4171 -9.4171 -8.7081 -8.7081 -8.7043 -8.7043 -8.6808 -8.6808 -8.6689 -8.6689 -8.5926 -8.5926 -8.5900 -8.5900 0.4173 0.4173 0.4822 0.4822 0.6491 0.6491 0.8040 0.8040 1.6589 1.6589 1.7637 1.7637 3.0145 3.0145 3.0535 3.0535 7.2959 7.2959 7.5768 7.5768 8.6151 8.6151 8.7672 8.7672 k =-0.2796 0.8122 0.6743 ( 4322 PWs) bands (ev): -10.0757 -10.0757 -10.0723 -10.0723 -9.5562 -9.5562 -9.5434 -9.5434 -9.4408 -9.4408 -9.4167 -9.4167 -8.7080 -8.7080 -8.7044 -8.7044 -8.6806 -8.6806 -8.6688 -8.6688 -8.5915 -8.5915 -8.5902 -8.5902 0.4561 0.4561 0.4856 0.4856 0.6613 0.6613 0.7448 0.7448 1.6756 1.6756 1.7448 1.7448 3.0117 3.0117 3.0476 3.0476 7.3372 7.3372 7.5353 7.5353 8.6252 8.6252 8.7732 8.7732 k =-0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0758 -10.0758 -10.0726 -10.0726 -9.5562 -9.5562 -9.5434 -9.5434 -9.4407 -9.4407 -9.4166 -9.4166 -8.7080 -8.7080 -8.7045 -8.7045 -8.6806 -8.6806 -8.6688 -8.6688 -8.5908 -8.5908 -8.5907 -8.5907 0.4738 0.4738 0.4833 0.4833 0.6859 0.6859 0.7031 0.7031 1.6841 1.6841 1.7356 1.7356 3.0108 3.0108 3.0456 3.0456 7.3557 7.3557 7.5167 7.5167 8.6286 8.6286 8.7752 8.7752 k =-0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0758 -10.0758 -10.0726 -10.0726 -9.5562 -9.5562 -9.5434 -9.5434 -9.4407 -9.4407 -9.4166 -9.4166 -8.7080 -8.7080 -8.7045 -8.7045 -8.6806 -8.6806 -8.6688 -8.6688 -8.5908 -8.5908 -8.5907 -8.5907 0.4738 0.4738 0.4833 0.4833 0.6859 0.6859 0.7031 0.7031 1.6841 1.6841 1.7356 1.7356 3.0108 3.0108 3.0456 3.0456 7.3557 7.3557 7.5167 7.5167 8.6286 8.6286 8.7752 8.7752 k =-0.2863 0.7928 0.6947 ( 4332 PWs) bands (ev): -10.0743 -10.0743 -10.0718 -10.0718 -9.5563 -9.5563 -9.5435 -9.5435 -9.4412 -9.4412 -9.4187 -9.4187 -8.7080 -8.7080 -8.7047 -8.7047 -8.6804 -8.6804 -8.6689 -8.6689 -8.5928 -8.5928 -8.5923 -8.5923 0.4121 0.4121 0.4213 0.4213 0.7167 0.7167 0.7348 0.7348 1.7163 1.7163 1.7690 1.7690 3.0495 3.0495 3.0855 3.0855 7.3099 7.3099 7.4694 7.4694 8.6459 8.6459 8.7898 8.7898 k =-0.2930 0.7734 0.6947 ( 4332 PWs) bands (ev): -10.0725 -10.0725 -10.0708 -10.0708 -9.5564 -9.5564 -9.5435 -9.5435 -9.4419 -9.4419 -9.4210 -9.4210 -8.7080 -8.7080 -8.7049 -8.7049 -8.6801 -8.6801 -8.6692 -8.6692 -8.5951 -8.5951 -8.5939 -8.5939 0.3504 0.3504 0.3594 0.3594 0.7492 0.7492 0.7679 0.7679 1.7489 1.7489 1.8025 1.8025 3.0904 3.0904 3.1275 3.1275 7.2641 7.2641 7.4219 7.4219 8.6633 8.6633 8.8040 8.8040 k =-0.2997 0.7540 0.6947 ( 4332 PWs) bands (ev): -10.0707 -10.0707 -10.0697 -10.0697 -9.5566 -9.5566 -9.5436 -9.5436 -9.4429 -9.4429 -9.4235 -9.4235 -8.7080 -8.7080 -8.7052 -8.7052 -8.6799 -8.6799 -8.6695 -8.6695 -8.5976 -8.5976 -8.5959 -8.5959 0.2893 0.2893 0.2981 0.2981 0.7835 0.7835 0.8026 0.8026 1.7815 1.7815 1.8358 1.8358 3.1333 3.1333 3.1713 3.1713 7.2186 7.2186 7.3744 7.3744 8.6806 8.6806 8.8176 8.8176 k =-0.3063 0.7346 0.6947 ( 4332 PWs) bands (ev): -10.0687 -10.0687 -10.0684 -10.0684 -9.5568 -9.5568 -9.5437 -9.5437 -9.4441 -9.4441 -9.4262 -9.4262 -8.7080 -8.7080 -8.7055 -8.7055 -8.6797 -8.6797 -8.6698 -8.6698 -8.6004 -8.6004 -8.5980 -8.5980 0.2290 0.2290 0.2376 0.2376 0.8194 0.8194 0.8390 0.8390 1.8137 1.8137 1.8683 1.8683 3.1781 3.1781 3.2168 3.2168 7.1733 7.1733 7.3271 7.3271 8.6979 8.6979 8.8305 8.8305 k =-0.3130 0.7152 0.6947 ( 4328 PWs) bands (ev): -10.0670 -10.0670 -10.0665 -10.0665 -9.5569 -9.5569 -9.5438 -9.5438 -9.4455 -9.4455 -9.4291 -9.4291 -8.7080 -8.7080 -8.7058 -8.7058 -8.6795 -8.6795 -8.6703 -8.6703 -8.6033 -8.6033 -8.6004 -8.6004 0.1697 0.1697 0.1781 0.1781 0.8571 0.8571 0.8771 0.8771 1.8450 1.8450 1.8998 1.8998 3.2244 3.2244 3.2638 3.2638 7.1286 7.1286 7.2802 7.2802 8.7149 8.7149 8.8426 8.8426 k =-0.3197 0.6958 0.6947 ( 4338 PWs) bands (ev): -10.0655 -10.0655 -10.0643 -10.0643 -9.5572 -9.5572 -9.5439 -9.5439 -9.4472 -9.4472 -9.4321 -9.4321 -8.7080 -8.7080 -8.7062 -8.7062 -8.6794 -8.6794 -8.6708 -8.6708 -8.6063 -8.6063 -8.6029 -8.6029 0.1116 0.1116 0.1198 0.1198 0.8966 0.8966 0.9170 0.9170 1.8753 1.8753 1.9301 1.9301 3.2721 3.2721 3.3120 3.3120 7.0846 7.0846 7.2338 7.2338 8.7317 8.7317 8.8538 8.8538 k =-0.3264 0.6764 0.6947 ( 4340 PWs) bands (ev): -10.0638 -10.0638 -10.0620 -10.0620 -9.5574 -9.5574 -9.5441 -9.5441 -9.4491 -9.4491 -9.4353 -9.4353 -8.7080 -8.7080 -8.7066 -8.7066 -8.6792 -8.6792 -8.6714 -8.6714 -8.6095 -8.6095 -8.6056 -8.6056 0.0548 0.0548 0.0628 0.0628 0.9377 0.9377 0.9587 0.9587 1.9043 1.9043 1.9591 1.9591 3.3208 3.3208 3.3611 3.3611 7.0415 7.0415 7.1880 7.1880 8.7482 8.7482 8.8640 8.8640 k =-0.3331 0.6570 0.6947 ( 4340 PWs) bands (ev): -10.0620 -10.0620 -10.0595 -10.0595 -9.5576 -9.5576 -9.5443 -9.5443 -9.4511 -9.4511 -9.4386 -9.4386 -8.7079 -8.7079 -8.7070 -8.7070 -8.6790 -8.6790 -8.6720 -8.6720 -8.6127 -8.6127 -8.6084 -8.6084 -0.0004 -0.0004 0.0072 0.0072 0.9806 0.9806 1.0021 1.0021 1.9318 1.9318 1.9865 1.9865 3.3702 3.3702 3.4107 3.4107 6.9994 6.9994 7.1431 7.1431 8.7643 8.7643 8.8731 8.8731 k =-0.3397 0.6376 0.6947 ( 4348 PWs) bands (ev): -10.0600 -10.0600 -10.0570 -10.0570 -9.5579 -9.5579 -9.5445 -9.5445 -9.4533 -9.4533 -9.4420 -9.4420 -8.7079 -8.7079 -8.7075 -8.7075 -8.6789 -8.6789 -8.6728 -8.6728 -8.6159 -8.6159 -8.6114 -8.6114 -0.0541 -0.0541 -0.0467 -0.0467 1.0252 1.0252 1.0472 1.0472 1.9578 1.9578 2.0123 2.0123 3.4198 3.4198 3.4605 3.4605 6.9585 6.9585 7.0993 7.0993 8.7802 8.7802 8.8812 8.8812 k =-0.3464 0.6182 0.6947 ( 4340 PWs) bands (ev): -10.0580 -10.0580 -10.0544 -10.0544 -9.5582 -9.5582 -9.5447 -9.5447 -9.4557 -9.4557 -9.4455 -9.4455 -8.7079 -8.7079 -8.7078 -8.7078 -8.6788 -8.6788 -8.6736 -8.6736 -8.6192 -8.6192 -8.6144 -8.6144 -0.1061 -0.1061 -0.0990 -0.0990 1.0713 1.0713 1.0940 1.0940 1.9822 1.9822 2.0364 2.0364 3.4693 3.4693 3.5101 3.5101 6.9190 6.9190 7.0566 7.0566 8.7957 8.7957 8.8883 8.8883 k =-0.3531 0.5988 0.6947 ( 4348 PWs) bands (ev): -10.0558 -10.0558 -10.0517 -10.0517 -9.5585 -9.5585 -9.5449 -9.5449 -9.4583 -9.4583 -9.4491 -9.4491 -8.7084 -8.7084 -8.7077 -8.7077 -8.6787 -8.6787 -8.6745 -8.6745 -8.6225 -8.6225 -8.6176 -8.6176 -0.1562 -0.1562 -0.1495 -0.1495 1.1189 1.1189 1.1423 1.1423 2.0049 2.0049 2.0588 2.0588 3.5183 3.5183 3.5591 3.5591 6.8811 6.8811 7.0152 7.0152 8.8111 8.8111 8.8944 8.8944 k =-0.3598 0.5794 0.6947 ( 4356 PWs) bands (ev): -10.0536 -10.0536 -10.0490 -10.0490 -9.5588 -9.5588 -9.5452 -9.5452 -9.4610 -9.4610 -9.4528 -9.4528 -8.7089 -8.7089 -8.7077 -8.7077 -8.6786 -8.6786 -8.6755 -8.6755 -8.6257 -8.6257 -8.6208 -8.6208 -0.2045 -0.2045 -0.1981 -0.1981 1.1678 1.1678 1.1920 1.1920 2.0259 2.0259 2.0796 2.0796 3.5662 3.5662 3.6069 3.6069 6.8450 6.8450 6.9754 6.9754 8.8264 8.8264 8.8998 8.8998 k =-0.3664 0.5600 0.6947 ( 4352 PWs) bands (ev): -10.0512 -10.0512 -10.0462 -10.0462 -9.5591 -9.5591 -9.5455 -9.5455 -9.4638 -9.4638 -9.4564 -9.4564 -8.7093 -8.7093 -8.7076 -8.7076 -8.6785 -8.6785 -8.6765 -8.6765 -8.6289 -8.6289 -8.6240 -8.6240 -0.2509 -0.2509 -0.2448 -0.2448 1.2180 1.2180 1.2431 1.2431 2.0452 2.0452 2.0987 2.0987 3.6127 3.6127 3.6532 3.6532 6.8108 6.8108 6.9373 6.9373 8.8417 8.8417 8.9046 8.9046 k =-0.3731 0.5406 0.6947 ( 4356 PWs) bands (ev): -10.0489 -10.0489 -10.0435 -10.0435 -9.5594 -9.5594 -9.5458 -9.5458 -9.4667 -9.4667 -9.4601 -9.4601 -8.7098 -8.7098 -8.7075 -8.7075 -8.6785 -8.6785 -8.6777 -8.6777 -8.6320 -8.6320 -8.6273 -8.6273 -0.2953 -0.2953 -0.2895 -0.2895 1.2692 1.2692 1.2952 1.2952 2.0629 2.0629 2.1163 2.1163 3.6573 3.6573 3.6974 3.6974 6.7787 6.7787 6.9010 6.9010 8.8573 8.8573 8.9091 8.9091 k =-0.3798 0.5212 0.6947 ( 4352 PWs) bands (ev): -10.0464 -10.0464 -10.0407 -10.0407 -9.5598 -9.5598 -9.5461 -9.5461 -9.4696 -9.4696 -9.4637 -9.4637 -8.7103 -8.7103 -8.7074 -8.7074 -8.6788 -8.6788 -8.6785 -8.6785 -8.6349 -8.6349 -8.6305 -8.6305 -0.3377 -0.3377 -0.3321 -0.3321 1.3213 1.3213 1.3484 1.3484 2.0789 2.0789 2.1323 2.1323 3.6996 3.6996 3.7393 3.7393 6.7489 6.7489 6.8667 6.8667 8.8733 8.8733 8.9135 8.9135 k =-0.3865 0.5019 0.6947 ( 4344 PWs) bands (ev): -10.0439 -10.0439 -10.0380 -10.0380 -9.5601 -9.5601 -9.5465 -9.5465 -9.4726 -9.4726 -9.4673 -9.4673 -8.7107 -8.7107 -8.7073 -8.7073 -8.6800 -8.6800 -8.6784 -8.6784 -8.6377 -8.6377 -8.6336 -8.6336 -0.3779 -0.3779 -0.3727 -0.3727 1.3740 1.3740 1.4022 1.4022 2.0933 2.0933 2.1467 2.1467 3.7391 3.7391 3.7782 3.7782 6.7215 6.7215 6.8345 6.8345 8.8899 8.8899 8.9181 8.9181 k =-0.3932 0.4825 0.6947 ( 4352 PWs) bands (ev): -10.0414 -10.0414 -10.0353 -10.0353 -9.5604 -9.5604 -9.5470 -9.5470 -9.4756 -9.4756 -9.4709 -9.4709 -8.7113 -8.7113 -8.7073 -8.7073 -8.6813 -8.6813 -8.6785 -8.6785 -8.6404 -8.6404 -8.6367 -8.6367 -0.4160 -0.4160 -0.4111 -0.4111 1.4272 1.4272 1.4566 1.4566 2.1062 2.1062 2.1597 2.1597 3.7756 3.7756 3.8139 3.8139 6.6966 6.6966 6.8045 6.8045 8.9074 8.9074 8.9232 8.9232 k =-0.3998 0.4631 0.6947 ( 4356 PWs) bands (ev): -10.0388 -10.0388 -10.0326 -10.0326 -9.5607 -9.5607 -9.5475 -9.5475 -9.4786 -9.4786 -9.4744 -9.4744 -8.7117 -8.7117 -8.7072 -8.7072 -8.6826 -8.6826 -8.6786 -8.6786 -8.6429 -8.6429 -8.6398 -8.6398 -0.4520 -0.4520 -0.4474 -0.4474 1.4805 1.4805 1.5113 1.5113 2.1176 2.1176 2.1713 2.1713 3.8088 3.8088 3.8461 3.8461 6.6743 6.6743 6.7767 6.7767 8.9260 8.9260 8.9293 8.9293 k =-0.4065 0.4437 0.6947 ( 4360 PWs) bands (ev): -10.0363 -10.0363 -10.0301 -10.0301 -9.5611 -9.5611 -9.5480 -9.5480 -9.4816 -9.4816 -9.4777 -9.4777 -8.7122 -8.7122 -8.7072 -8.7072 -8.6840 -8.6840 -8.6787 -8.6787 -8.6452 -8.6452 -8.6427 -8.6427 -0.4858 -0.4858 -0.4815 -0.4815 1.5336 1.5336 1.5659 1.5659 2.1275 2.1275 2.1816 2.1816 3.8383 3.8383 3.8746 3.8746 6.6546 6.6546 6.7513 6.7513 8.9365 8.9365 8.9460 8.9460 k =-0.4132 0.4243 0.6947 ( 4364 PWs) bands (ev): -10.0338 -10.0338 -10.0276 -10.0276 -9.5614 -9.5614 -9.5486 -9.5486 -9.4845 -9.4845 -9.4809 -9.4809 -8.7126 -8.7126 -8.7073 -8.7073 -8.6852 -8.6852 -8.6788 -8.6788 -8.6473 -8.6473 -8.6455 -8.6455 -0.5173 -0.5173 -0.5133 -0.5133 1.5864 1.5864 1.6203 1.6203 2.1360 2.1360 2.1905 2.1905 3.8642 3.8642 3.8991 3.8991 6.6376 6.6376 6.7281 6.7281 8.9454 8.9454 8.9674 8.9674 k =-0.4199 0.4049 0.6947 ( 4368 PWs) bands (ev): -10.0314 -10.0314 -10.0253 -10.0253 -9.5617 -9.5617 -9.5493 -9.5493 -9.4873 -9.4873 -9.4840 -9.4840 -8.7130 -8.7130 -8.7074 -8.7074 -8.6864 -8.6864 -8.6791 -8.6791 -8.6493 -8.6493 -8.6481 -8.6481 -0.5466 -0.5466 -0.5429 -0.5429 1.6384 1.6384 1.6741 1.6741 2.1430 2.1430 2.1980 2.1980 3.8863 3.8863 3.9197 3.9197 6.6231 6.6231 6.7073 6.7073 8.9561 8.9561 8.9904 8.9904 k =-0.4265 0.3855 0.6947 ( 4372 PWs) bands (ev): -10.0290 -10.0290 -10.0231 -10.0231 -9.5619 -9.5619 -9.5499 -9.5499 -9.4899 -9.4899 -9.4869 -9.4869 -8.7134 -8.7134 -8.7076 -8.7076 -8.6875 -8.6875 -8.6793 -8.6793 -8.6510 -8.6510 -8.6505 -8.6505 -0.5736 -0.5736 -0.5702 -0.5702 1.6893 1.6893 1.7268 1.7268 2.1486 2.1486 2.2043 2.2043 3.9048 3.9048 3.9363 3.9363 6.6110 6.6110 6.6886 6.6886 8.9688 8.9688 9.0150 9.0150 k =-0.4332 0.3661 0.6947 ( 4372 PWs) bands (ev): -10.0267 -10.0267 -10.0210 -10.0210 -9.5621 -9.5621 -9.5507 -9.5507 -9.4924 -9.4924 -9.4896 -9.4896 -8.7138 -8.7138 -8.7079 -8.7079 -8.6885 -8.6885 -8.6797 -8.6797 -8.6527 -8.6527 -8.6526 -8.6526 -0.5982 -0.5982 -0.5952 -0.5952 1.7387 1.7387 1.7783 1.7783 2.1528 2.1528 2.2092 2.2092 3.9197 3.9197 3.9493 3.9493 6.6013 6.6013 6.6721 6.6721 8.9839 8.9839 9.0412 9.0412 k =-0.4399 0.3467 0.6947 ( 4368 PWs) bands (ev): -10.0245 -10.0245 -10.0191 -10.0191 -9.5622 -9.5622 -9.5515 -9.5515 -9.4947 -9.4947 -9.4921 -9.4921 -8.7140 -8.7140 -8.7082 -8.7082 -8.6892 -8.6892 -8.6801 -8.6801 -8.6546 -8.6546 -8.6541 -8.6541 -0.6206 -0.6206 -0.6179 -0.6179 1.7863 1.7863 1.8280 1.8280 2.1555 2.1555 2.2126 2.2126 3.9313 3.9313 3.9587 3.9587 6.5937 6.5937 6.6575 6.6575 9.0013 9.0013 9.0689 9.0689 k =-0.4466 0.3273 0.6947 ( 4372 PWs) bands (ev): -10.0224 -10.0224 -10.0174 -10.0174 -9.5623 -9.5623 -9.5523 -9.5523 -9.4968 -9.4968 -9.4944 -9.4944 -8.7143 -8.7143 -8.7087 -8.7087 -8.6898 -8.6898 -8.6807 -8.6807 -8.6563 -8.6563 -8.6554 -8.6554 -0.6407 -0.6407 -0.6382 -0.6382 1.8318 1.8318 1.8756 1.8756 2.1567 2.1567 2.2146 2.2146 3.9401 3.9401 3.9650 3.9650 6.5880 6.5880 6.6448 6.6448 9.0212 9.0212 9.0976 9.0976 k =-0.4533 0.3079 0.6947 ( 4372 PWs) bands (ev): -10.0205 -10.0205 -10.0160 -10.0160 -9.5622 -9.5622 -9.5532 -9.5532 -9.4986 -9.4986 -9.4964 -9.4964 -8.7145 -8.7145 -8.7092 -8.7092 -8.6901 -8.6901 -8.6814 -8.6814 -8.6578 -8.6578 -8.6565 -8.6565 -0.6584 -0.6584 -0.6562 -0.6562 1.8747 1.8747 1.9206 1.9206 2.1564 2.1564 2.2149 2.2149 3.9463 3.9463 3.9686 3.9686 6.5841 6.5841 6.6337 6.6337 9.0433 9.0433 9.1267 9.1267 k =-0.4599 0.2885 0.6947 ( 4368 PWs) bands (ev): -10.0187 -10.0187 -10.0147 -10.0147 -9.5621 -9.5621 -9.5542 -9.5542 -9.5002 -9.5002 -9.4983 -9.4983 -8.7145 -8.7145 -8.7098 -8.7098 -8.6902 -8.6902 -8.6821 -8.6821 -8.6589 -8.6589 -8.6575 -8.6575 -0.6737 -0.6737 -0.6719 -0.6719 1.9147 1.9147 1.9627 1.9627 2.1545 2.1545 2.2135 2.2135 3.9506 3.9506 3.9700 3.9700 6.5816 6.5816 6.6242 6.6242 9.0674 9.0674 9.1553 9.1553 k =-0.4666 0.2691 0.6947 ( 4370 PWs) bands (ev): -10.0171 -10.0171 -10.0137 -10.0137 -9.5620 -9.5620 -9.5551 -9.5551 -9.5015 -9.5015 -9.4999 -9.4999 -8.7146 -8.7146 -8.7105 -8.7105 -8.6901 -8.6901 -8.6829 -8.6829 -8.6598 -8.6598 -8.6584 -8.6584 -0.6867 -0.6867 -0.6852 -0.6852 1.9516 1.9516 2.0014 2.0014 2.1511 2.1511 2.2102 2.2102 3.9533 3.9533 3.9698 3.9698 6.5805 6.5805 6.6159 6.6159 9.0933 9.0933 9.1819 9.1819 k =-0.4733 0.2497 0.6947 ( 4374 PWs) bands (ev): -10.0157 -10.0157 -10.0129 -10.0129 -9.5617 -9.5617 -9.5561 -9.5561 -9.5026 -9.5026 -9.5012 -9.5012 -8.7146 -8.7146 -8.7112 -8.7112 -8.6899 -8.6899 -8.6838 -8.6838 -8.6605 -8.6605 -8.6592 -8.6592 -0.6973 -0.6973 -0.6961 -0.6961 1.9851 1.9851 2.0359 2.0359 2.1463 2.1463 2.2047 2.2047 3.9550 3.9550 3.9684 3.9684 6.5804 6.5804 6.6087 6.6087 9.1202 9.1202 9.2047 9.2047 k =-0.4800 0.2303 0.6947 ( 4366 PWs) bands (ev): -10.0145 -10.0145 -10.0123 -10.0123 -9.5613 -9.5613 -9.5570 -9.5570 -9.5033 -9.5033 -9.5023 -9.5023 -8.7144 -8.7144 -8.7119 -8.7119 -8.6894 -8.6894 -8.6847 -8.6847 -8.6608 -8.6608 -8.6598 -8.6598 -0.7055 -0.7055 -0.7046 -0.7046 2.0150 2.0150 2.0652 2.0652 2.1408 2.1408 2.1968 2.1968 3.9561 3.9561 3.9663 3.9663 6.5814 6.5814 6.6025 6.6025 9.1474 9.1474 9.2212 9.2212 k =-0.4866 0.2109 0.6947 ( 4362 PWs) bands (ev): -10.0135 -10.0135 -10.0121 -10.0121 -9.5608 -9.5608 -9.5579 -9.5579 -9.5038 -9.5038 -9.5031 -9.5031 -8.7142 -8.7142 -8.7124 -8.7124 -8.6888 -8.6888 -8.6856 -8.6856 -8.6611 -8.6611 -8.6603 -8.6603 -0.7113 -0.7113 -0.7107 -0.7107 2.0411 2.0411 2.0857 2.0857 2.1380 2.1380 2.1864 2.1864 3.9571 3.9571 3.9639 3.9639 6.5831 6.5831 6.5972 6.5972 9.1735 9.1735 9.2291 9.2291 k =-0.4933 0.1916 0.6947 ( 4350 PWs) bands (ev): -10.0128 -10.0128 -10.0120 -10.0120 -9.5601 -9.5601 -9.5587 -9.5587 -9.5040 -9.5040 -9.5036 -9.5036 -8.7138 -8.7138 -8.7129 -8.7129 -8.6881 -8.6881 -8.6865 -8.6865 -8.6611 -8.6611 -8.6607 -8.6607 -0.7147 -0.7147 -0.7144 -0.7144 2.0632 2.0632 2.0903 2.0903 2.1445 2.1445 2.1735 2.1735 3.9583 3.9583 3.9617 3.9617 6.5856 6.5856 6.5926 6.5926 9.1971 9.1971 9.2271 9.2271 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0123 -10.0123 -10.0123 -10.0123 -9.5594 -9.5594 -9.5594 -9.5594 -9.5039 -9.5039 -9.5039 -9.5039 -8.7134 -8.7134 -8.7134 -8.7134 -8.6873 -8.6873 -8.6873 -8.6873 -8.6610 -8.6610 -8.6610 -8.6610 -0.7158 -0.7158 -0.7158 -0.7158 2.0804 2.0804 2.0804 2.0804 2.1587 2.1587 2.1587 2.1587 3.9598 3.9598 3.9598 3.9598 6.5888 6.5888 6.5888 6.5888 9.2157 9.2157 9.2157 9.2157 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0123 -10.0123 -10.0123 -10.0123 -9.5594 -9.5594 -9.5594 -9.5594 -9.5039 -9.5039 -9.5039 -9.5039 -8.7134 -8.7134 -8.7134 -8.7134 -8.6873 -8.6873 -8.6873 -8.6873 -8.6610 -8.6610 -8.6610 -8.6610 -0.7158 -0.7158 -0.7158 -0.7158 2.0804 2.0804 2.0804 2.0804 2.1587 2.1587 2.1587 2.1587 3.9598 3.9598 3.9598 3.9598 6.5888 6.5888 6.5888 6.5888 9.2157 9.2157 9.2157 9.2157 k =-0.5000 0.1722 0.6743 ( 4356 PWs) bands (ev): -10.0140 -10.0140 -10.0108 -10.0108 -9.5595 -9.5595 -9.5594 -9.5594 -9.5070 -9.5070 -9.5009 -9.5009 -8.7136 -8.7136 -8.7133 -8.7133 -8.6881 -8.6881 -8.6867 -8.6867 -8.6626 -8.6626 -8.6592 -8.6592 -0.7355 -0.7355 -0.6935 -0.6935 2.0710 2.0710 2.0865 2.0865 2.1505 2.1505 2.1673 2.1673 3.9095 3.9095 4.0107 4.0107 6.5123 6.5123 6.6661 6.6661 9.2080 9.2080 9.2253 9.2253 k =-0.5000 0.1722 0.6538 ( 4368 PWs) bands (ev): -10.0161 -10.0161 -10.0097 -10.0097 -9.5596 -9.5596 -9.5594 -9.5594 -9.5099 -9.5099 -9.4979 -9.4979 -8.7138 -8.7138 -8.7131 -8.7131 -8.6890 -8.6890 -8.6862 -8.6862 -8.6640 -8.6640 -8.6572 -8.6572 -0.7528 -0.7528 -0.6687 -0.6687 2.0589 2.0589 2.0885 2.0885 2.1429 2.1429 2.1764 2.1764 3.8604 3.8604 4.0613 4.0613 6.4379 6.4379 6.7431 6.7431 9.2013 9.2013 9.2371 9.2371 k =-0.5000 0.1722 0.6334 ( 4380 PWs) bands (ev): -10.0185 -10.0185 -10.0089 -10.0089 -9.5598 -9.5598 -9.5595 -9.5595 -9.5127 -9.5127 -9.4947 -9.4947 -8.7141 -8.7141 -8.7130 -8.7130 -8.6900 -8.6900 -8.6858 -8.6858 -8.6651 -8.6651 -8.6551 -8.6551 -0.7676 -0.7676 -0.6414 -0.6414 2.0445 2.0445 2.0860 2.0860 2.1359 2.1359 2.1857 2.1857 3.8133 3.8133 4.1106 4.1106 6.3670 6.3670 6.8186 6.8186 9.1951 9.1951 9.2516 9.2516 k =-0.5000 0.1722 0.6130 ( 4378 PWs) bands (ev): -10.0212 -10.0212 -10.0083 -10.0083 -9.5599 -9.5599 -9.5595 -9.5595 -9.5154 -9.5154 -9.4916 -9.4916 -8.7143 -8.7143 -8.7128 -8.7128 -8.6910 -8.6910 -8.6854 -8.6854 -8.6661 -8.6661 -8.6528 -8.6528 -0.7799 -0.7799 -0.6115 -0.6115 2.0284 2.0284 2.0789 2.0789 2.1297 2.1297 2.1951 2.1951 3.7684 3.7684 4.1572 4.1572 6.3010 6.3010 6.8915 6.8915 9.1886 9.1886 9.2690 9.2690 k =-0.5000 0.1722 0.5925 ( 4382 PWs) bands (ev): -10.0241 -10.0241 -10.0081 -10.0081 -9.5600 -9.5600 -9.5594 -9.5594 -9.5179 -9.5179 -9.4885 -9.4885 -8.7145 -8.7145 -8.7126 -8.7126 -8.6921 -8.6921 -8.6853 -8.6853 -8.6668 -8.6668 -8.6503 -8.6503 -0.7898 -0.7898 -0.5792 -0.5792 2.0108 2.0108 2.0677 2.0677 2.1238 2.1238 2.2044 2.2044 3.7262 3.7262 4.1998 4.1998 6.2417 6.2417 6.9607 6.9607 9.1819 9.1819 9.2894 9.2894 k =-0.5000 0.1722 0.5721 ( 4382 PWs) bands (ev): -10.0273 -10.0273 -10.0082 -10.0082 -9.5602 -9.5602 -9.5595 -9.5595 -9.5203 -9.5203 -9.4853 -9.4853 -8.7147 -8.7147 -8.7124 -8.7124 -8.6932 -8.6932 -8.6852 -8.6852 -8.6674 -8.6674 -8.6477 -8.6477 -0.7974 -0.7974 -0.5444 -0.5444 1.9919 1.9919 2.0530 2.0530 2.1177 2.1177 2.2133 2.2133 3.6869 3.6869 4.2367 4.2367 6.1908 6.1908 7.0253 7.0253 9.1757 9.1757 9.3129 9.3129 k =-0.5000 0.1722 0.5517 ( 4380 PWs) bands (ev): -10.0307 -10.0307 -10.0085 -10.0085 -9.5603 -9.5603 -9.5595 -9.5595 -9.5225 -9.5225 -9.4822 -9.4822 -8.7148 -8.7148 -8.7122 -8.7122 -8.6943 -8.6943 -8.6852 -8.6852 -8.6678 -8.6678 -8.6449 -8.6449 -0.8027 -0.8027 -0.5071 -0.5071 1.9719 1.9719 2.0355 2.0355 2.1111 2.1111 2.2217 2.2217 3.6506 3.6506 4.2661 4.2661 6.1502 6.1502 7.0841 7.0841 9.1712 9.1712 9.3395 9.3395 k =-0.5000 0.1722 0.5312 ( 4376 PWs) bands (ev): -10.0344 -10.0344 -10.0091 -10.0091 -9.5605 -9.5605 -9.5596 -9.5596 -9.5245 -9.5245 -9.4792 -9.4792 -8.7150 -8.7150 -8.7120 -8.7120 -8.6953 -8.6953 -8.6852 -8.6852 -8.6680 -8.6680 -8.6421 -8.6421 -0.8058 -0.8058 -0.4675 -0.4675 1.9508 1.9508 2.0157 2.0157 2.1039 2.1039 2.2294 2.2294 3.6175 3.6175 4.2864 4.2864 6.1218 6.1218 7.1362 7.1362 9.1704 9.1704 9.3689 9.3689 k =-0.5000 0.1722 0.5108 ( 4380 PWs) bands (ev): -10.0383 -10.0383 -10.0099 -10.0099 -9.5607 -9.5607 -9.5596 -9.5596 -9.5265 -9.5265 -9.4763 -9.4763 -8.7152 -8.7152 -8.7118 -8.7118 -8.6964 -8.6964 -8.6854 -8.6854 -8.6681 -8.6681 -8.6392 -8.6392 -0.8067 -0.8067 -0.4256 -0.4256 1.9286 1.9286 1.9941 1.9941 2.0959 2.0959 2.2365 2.2365 3.5874 3.5874 4.2958 4.2958 6.1073 6.1073 7.1809 7.1809 9.1750 9.1750 9.4011 9.4011 k =-0.5000 0.1722 0.4904 ( 4384 PWs) bands (ev): -10.0423 -10.0423 -10.0110 -10.0110 -9.5609 -9.5609 -9.5597 -9.5597 -9.5282 -9.5282 -9.4734 -9.4734 -8.7154 -8.7154 -8.7116 -8.7116 -8.6974 -8.6974 -8.6857 -8.6857 -8.6682 -8.6682 -8.6363 -8.6363 -0.8056 -0.8056 -0.3814 -0.3814 1.9052 1.9052 1.9712 1.9712 2.0872 2.0872 2.2429 2.2429 3.5604 3.5604 4.2935 4.2935 6.1077 6.1077 7.2177 7.2177 9.1862 9.1862 9.4356 9.4356 k =-0.5000 0.1722 0.4699 ( 4380 PWs) bands (ev): -10.0465 -10.0465 -10.0123 -10.0123 -9.5611 -9.5611 -9.5597 -9.5597 -9.5297 -9.5297 -9.4707 -9.4707 -8.7156 -8.7156 -8.7114 -8.7114 -8.6983 -8.6983 -8.6859 -8.6859 -8.6680 -8.6680 -8.6333 -8.6333 -0.8025 -0.8025 -0.3350 -0.3350 1.8805 1.8805 1.9476 1.9476 2.0779 2.0779 2.2486 2.2486 3.5363 3.5363 4.2789 4.2789 6.1237 6.1237 7.2462 7.2462 9.2048 9.2048 9.4721 9.4721 k =-0.5000 0.1722 0.4495 ( 4382 PWs) bands (ev): -10.0509 -10.0509 -10.0137 -10.0137 -9.5614 -9.5614 -9.5597 -9.5597 -9.5311 -9.5311 -9.4680 -9.4680 -8.7157 -8.7157 -8.7112 -8.7112 -8.6992 -8.6992 -8.6863 -8.6863 -8.6679 -8.6679 -8.6303 -8.6303 -0.7976 -0.7976 -0.2865 -0.2865 1.8543 1.8543 1.9238 1.9238 2.0680 2.0680 2.2535 2.2535 3.5150 3.5150 4.2524 4.2524 6.1550 6.1550 7.2666 7.2666 9.2310 9.2310 9.5104 9.5104 k =-0.5000 0.1722 0.4291 ( 4378 PWs) bands (ev): -10.0553 -10.0553 -10.0153 -10.0153 -9.5616 -9.5616 -9.5598 -9.5598 -9.5323 -9.5323 -9.4655 -9.4655 -8.7159 -8.7159 -8.7110 -8.7110 -8.7000 -8.7000 -8.6866 -8.6866 -8.6677 -8.6677 -8.6274 -8.6274 -0.7910 -0.7910 -0.2361 -0.2361 1.8265 1.8265 1.9002 1.9002 2.0576 2.0576 2.2577 2.2577 3.4963 3.4963 4.2147 4.2147 6.2008 6.2008 7.2792 7.2792 9.2643 9.2643 9.5502 9.5502 k =-0.5000 0.1722 0.4086 ( 4374 PWs) bands (ev): -10.0598 -10.0598 -10.0171 -10.0171 -9.5618 -9.5618 -9.5598 -9.5598 -9.5333 -9.5333 -9.4630 -9.4630 -8.7161 -8.7161 -8.7108 -8.7108 -8.7007 -8.7007 -8.6870 -8.6870 -8.6674 -8.6674 -8.6244 -8.6244 -0.7828 -0.7828 -0.1838 -0.1838 1.7972 1.7972 1.8773 1.8773 2.0468 2.0468 2.2613 2.2613 3.4800 3.4800 4.1673 4.1673 6.2600 6.2600 7.2848 7.2848 9.3040 9.3040 9.5915 9.5915 k =-0.5000 0.1722 0.3882 ( 4382 PWs) bands (ev): -10.0643 -10.0643 -10.0189 -10.0189 -9.5621 -9.5621 -9.5599 -9.5599 -9.5342 -9.5342 -9.4608 -9.4608 -8.7163 -8.7163 -8.7106 -8.7106 -8.7014 -8.7014 -8.6875 -8.6875 -8.6671 -8.6671 -8.6215 -8.6215 -0.7731 -0.7731 -0.1299 -0.1299 1.7665 1.7665 1.8551 1.8551 2.0356 2.0356 2.2642 2.2642 3.4658 3.4658 4.1116 4.1116 6.3309 6.3309 7.2840 7.2840 9.3489 9.3489 9.6342 9.6342 k =-0.5000 0.1722 0.3678 ( 4378 PWs) bands (ev): -10.0689 -10.0689 -10.0209 -10.0209 -9.5623 -9.5623 -9.5599 -9.5599 -9.5350 -9.5350 -9.4586 -9.4586 -8.7164 -8.7164 -8.7103 -8.7103 -8.7020 -8.7020 -8.6879 -8.6879 -8.6668 -8.6668 -8.6187 -8.6187 -0.7621 -0.7621 -0.0743 -0.0743 1.7347 1.7347 1.8340 1.8340 2.0241 2.0241 2.2665 2.2665 3.4536 3.4536 4.0493 4.0493 6.4121 6.4121 7.2780 7.2780 9.3977 9.3977 9.6786 9.6786 k =-0.5000 0.1722 0.3474 ( 4374 PWs) bands (ev): -10.0734 -10.0734 -10.0229 -10.0229 -9.5624 -9.5624 -9.5599 -9.5599 -9.5357 -9.5357 -9.4566 -9.4566 -8.7166 -8.7166 -8.7102 -8.7102 -8.7025 -8.7025 -8.6883 -8.6883 -8.6665 -8.6665 -8.6159 -8.6159 -0.7500 -0.7500 -0.0175 -0.0175 1.7021 1.7021 1.8138 1.8138 2.0123 2.0123 2.2683 2.2683 3.4431 3.4431 3.9818 3.9818 6.5020 6.5020 7.2679 7.2679 9.4487 9.4487 9.7247 9.7247 k =-0.5000 0.1722 0.3269 ( 4378 PWs) bands (ev): -10.0778 -10.0778 -10.0249 -10.0249 -9.5626 -9.5626 -9.5600 -9.5600 -9.5363 -9.5363 -9.4547 -9.4547 -8.7167 -8.7167 -8.7101 -8.7101 -8.7029 -8.7029 -8.6888 -8.6888 -8.6661 -8.6661 -8.6132 -8.6132 -0.7369 -0.7369 0.0406 0.0406 1.6692 1.6692 1.7945 1.7945 2.0003 2.0003 2.2695 2.2695 3.4341 3.4341 3.9106 3.9106 6.5992 6.5992 7.2548 7.2548 9.5005 9.5005 9.7726 9.7726 k =-0.5000 0.1722 0.3065 ( 4378 PWs) bands (ev): -10.0822 -10.0822 -10.0269 -10.0269 -9.5628 -9.5628 -9.5600 -9.5600 -9.5368 -9.5368 -9.4529 -9.4529 -8.7168 -8.7168 -8.7099 -8.7099 -8.7033 -8.7033 -8.6893 -8.6893 -8.6658 -8.6658 -8.6106 -8.6106 -0.7230 -0.7230 0.0995 0.0995 1.6363 1.6363 1.7763 1.7763 1.9881 1.9881 2.2704 2.2704 3.4265 3.4265 3.8370 3.8370 6.7020 6.7020 7.2401 7.2401 9.5514 9.5514 9.8221 9.8221 k =-0.5000 0.1722 0.2861 ( 4378 PWs) bands (ev): -10.0864 -10.0864 -10.0290 -10.0290 -9.5629 -9.5629 -9.5601 -9.5601 -9.5372 -9.5372 -9.4513 -9.4513 -8.7168 -8.7168 -8.7099 -8.7099 -8.7036 -8.7036 -8.6897 -8.6897 -8.6655 -8.6655 -8.6080 -8.6080 -0.7085 -0.7085 0.1591 0.1591 1.6037 1.6037 1.7590 1.7590 1.9756 1.9756 2.2709 2.2709 3.4200 3.4200 3.7620 3.7620 6.8084 6.8084 7.2257 7.2257 9.6002 9.6002 9.8729 9.8729 k =-0.5000 0.1722 0.2656 ( 4364 PWs) bands (ev): -10.0905 -10.0905 -10.0310 -10.0310 -9.5629 -9.5629 -9.5601 -9.5601 -9.5375 -9.5375 -9.4498 -9.4498 -8.7168 -8.7168 -8.7098 -8.7098 -8.7037 -8.7037 -8.6901 -8.6901 -8.6651 -8.6651 -8.6056 -8.6056 -0.6936 -0.6936 0.2189 0.2189 1.5718 1.5718 1.7427 1.7427 1.9629 1.9629 2.2711 2.2711 3.4144 3.4144 3.6868 3.6868 6.9146 6.9146 7.2156 7.2156 9.6459 9.6459 9.9245 9.9245 k =-0.5000 0.1722 0.2452 ( 4368 PWs) bands (ev): -10.0944 -10.0944 -10.0329 -10.0329 -9.5630 -9.5630 -9.5601 -9.5601 -9.5378 -9.5378 -9.4485 -9.4485 -8.7169 -8.7169 -8.7098 -8.7098 -8.7038 -8.7038 -8.6906 -8.6906 -8.6647 -8.6647 -8.6034 -8.6034 -0.6785 -0.6785 0.2788 0.2788 1.5408 1.5408 1.7274 1.7274 1.9501 1.9501 2.2710 2.2710 3.4095 3.4095 3.6125 3.6125 7.0096 7.0096 7.2203 7.2203 9.6875 9.6875 9.9758 9.9758 k =-0.5000 0.1722 0.2248 ( 4364 PWs) bands (ev): -10.0981 -10.0981 -10.0348 -10.0348 -9.5631 -9.5631 -9.5602 -9.5602 -9.5380 -9.5380 -9.4472 -9.4472 -8.7168 -8.7168 -8.7099 -8.7099 -8.7038 -8.7038 -8.6910 -8.6910 -8.6644 -8.6644 -8.6012 -8.6012 -0.6635 -0.6635 0.3381 0.3381 1.5111 1.5111 1.7133 1.7133 1.9371 1.9371 2.2707 2.2707 3.4049 3.4049 3.5401 3.5401 7.0672 7.0672 7.2661 7.2661 9.7245 9.7245 10.0257 10.0257 k =-0.5000 0.1722 0.2043 ( 4364 PWs) bands (ev): -10.1016 -10.1016 -10.0365 -10.0365 -9.5631 -9.5631 -9.5602 -9.5602 -9.5382 -9.5382 -9.4461 -9.4461 -8.7168 -8.7168 -8.7100 -8.7100 -8.7039 -8.7039 -8.6915 -8.6915 -8.6641 -8.6641 -8.5993 -8.5993 -0.6487 -0.6487 0.3965 0.3965 1.4828 1.4828 1.7002 1.7002 1.9239 1.9239 2.2702 2.2702 3.3993 3.3993 3.4717 3.4717 7.0797 7.0797 7.3605 7.3605 9.7557 9.7557 10.0730 10.0730 k =-0.5000 0.1722 0.1839 ( 4358 PWs) bands (ev): -10.1048 -10.1048 -10.0382 -10.0382 -9.5632 -9.5632 -9.5602 -9.5602 -9.5383 -9.5383 -9.4451 -9.4451 -8.7167 -8.7167 -8.7101 -8.7101 -8.7038 -8.7038 -8.6919 -8.6919 -8.6637 -8.6637 -8.5974 -8.5974 -0.6345 -0.6345 0.4533 0.4533 1.4564 1.4564 1.6882 1.6882 1.9107 1.9107 2.2697 2.2697 3.3817 3.3817 3.4192 3.4192 7.0728 7.0728 7.4774 7.4774 9.7792 9.7792 10.1163 10.1163 k =-0.5000 0.1722 0.1635 ( 4354 PWs) bands (ev): -10.1078 -10.1078 -10.0397 -10.0397 -9.5632 -9.5632 -9.5602 -9.5602 -9.5384 -9.5384 -9.4442 -9.4442 -8.7166 -8.7166 -8.7103 -8.7103 -8.7036 -8.7036 -8.6923 -8.6923 -8.6635 -8.6635 -8.5958 -8.5958 -0.6209 -0.6209 0.5079 0.5079 1.4319 1.4319 1.6774 1.6774 1.8975 1.8975 2.2691 2.2691 3.3302 3.3302 3.4051 3.4051 7.0604 7.0604 7.6028 7.6028 9.7906 9.7906 10.1189 10.1189 k =-0.5000 0.1722 0.1430 ( 4354 PWs) bands (ev): -10.1104 -10.1104 -10.0411 -10.0411 -9.5631 -9.5631 -9.5603 -9.5603 -9.5385 -9.5385 -9.4434 -9.4434 -8.7165 -8.7165 -8.7105 -8.7105 -8.7035 -8.7035 -8.6926 -8.6926 -8.6632 -8.6632 -8.5943 -8.5943 -0.6083 -0.6083 0.5595 0.5595 1.4097 1.4097 1.6679 1.6679 1.8844 1.8844 2.2686 2.2686 3.2737 3.2737 3.4012 3.4012 7.0466 7.0466 7.7316 7.7316 9.7790 9.7790 10.0465 10.0465 k =-0.5000 0.1722 0.1226 ( 4354 PWs) bands (ev): -10.1127 -10.1127 -10.0423 -10.0423 -9.5631 -9.5631 -9.5603 -9.5603 -9.5385 -9.5385 -9.4428 -9.4428 -8.7164 -8.7164 -8.7107 -8.7107 -8.7034 -8.7034 -8.6930 -8.6930 -8.6630 -8.6630 -8.5930 -8.5930 -0.5968 -0.5968 0.6073 0.6073 1.3900 1.3900 1.6595 1.6595 1.8717 1.8717 2.2680 2.2680 3.2216 3.2216 3.3991 3.3991 7.0334 7.0334 7.8614 7.8614 9.7296 9.7296 10.0008 10.0008 k =-0.5000 0.1722 0.1022 ( 4350 PWs) bands (ev): -10.1147 -10.1147 -10.0433 -10.0433 -9.5631 -9.5631 -9.5604 -9.5604 -9.5386 -9.5386 -9.4422 -9.4422 -8.7162 -8.7162 -8.7109 -8.7109 -8.7032 -8.7032 -8.6933 -8.6933 -8.6628 -8.6628 -8.5919 -8.5919 -0.5867 -0.5867 0.6503 0.6503 1.3729 1.3729 1.6524 1.6524 1.8598 1.8598 2.2675 2.2675 3.1756 3.1756 3.3977 3.3977 7.0214 7.0214 7.9897 7.9897 9.6445 9.6445 9.9846 9.9846 k =-0.5000 0.1722 0.0817 ( 4344 PWs) bands (ev): -10.1164 -10.1164 -10.0442 -10.0442 -9.5630 -9.5630 -9.5604 -9.5604 -9.5386 -9.5386 -9.4418 -9.4418 -8.7161 -8.7161 -8.7111 -8.7111 -8.7031 -8.7031 -8.6935 -8.6935 -8.6626 -8.6626 -8.5910 -8.5910 -0.5782 -0.5782 0.6875 0.6875 1.3587 1.3587 1.6466 1.6466 1.8489 1.8489 2.2670 2.2670 3.1366 3.1366 3.3967 3.3967 7.0111 7.0111 8.1136 8.1136 9.5427 9.5427 9.9833 9.9833 k =-0.5000 0.1722 0.0613 ( 4350 PWs) bands (ev): -10.1177 -10.1177 -10.0449 -10.0449 -9.5630 -9.5630 -9.5604 -9.5604 -9.5387 -9.5387 -9.4415 -9.4415 -8.7160 -8.7160 -8.7113 -8.7113 -8.7030 -8.7030 -8.6937 -8.6937 -8.6625 -8.6625 -8.5903 -8.5903 -0.5714 -0.5714 0.7179 0.7179 1.3475 1.3475 1.6421 1.6421 1.8397 1.8397 2.2667 2.2667 3.1056 3.1056 3.3960 3.3960 7.0029 7.0029 8.2288 8.2288 9.4394 9.4394 9.9870 9.9870 k =-0.5000 0.1722 0.0409 ( 4350 PWs) bands (ev): -10.1186 -10.1186 -10.0454 -10.0454 -9.5630 -9.5630 -9.5604 -9.5604 -9.5387 -9.5387 -9.4412 -9.4412 -8.7159 -8.7159 -8.7114 -8.7114 -8.7029 -8.7029 -8.6939 -8.6939 -8.6624 -8.6624 -8.5898 -8.5898 -0.5664 -0.5664 0.7404 0.7404 1.3394 1.3394 1.6389 1.6389 1.8326 1.8326 2.2664 2.2664 3.0829 3.0829 3.3955 3.3955 6.9969 6.9969 8.3276 8.3276 9.3471 9.3471 9.9912 9.9912 k =-0.5000 0.1722 0.0204 ( 4342 PWs) bands (ev): -10.1192 -10.1192 -10.0457 -10.0457 -9.5630 -9.5630 -9.5604 -9.5604 -9.5387 -9.5387 -9.4410 -9.4410 -8.7158 -8.7158 -8.7115 -8.7115 -8.7029 -8.7029 -8.6939 -8.6939 -8.6624 -8.6624 -8.5894 -8.5894 -0.5634 -0.5634 0.7543 0.7543 1.3345 1.3345 1.6370 1.6370 1.8281 1.8281 2.2663 2.2663 3.0692 3.0692 3.3952 3.3952 6.9933 6.9933 8.3978 8.3978 9.2803 9.2803 9.9942 9.9942 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1194 -10.1194 -10.0458 -10.0458 -9.5629 -9.5629 -9.5604 -9.5604 -9.5386 -9.5386 -9.4410 -9.4410 -8.7158 -8.7158 -8.7115 -8.7115 -8.7028 -8.7028 -8.6940 -8.6940 -8.6623 -8.6623 -8.5893 -8.5893 -0.5624 -0.5624 0.7590 0.7590 1.3329 1.3329 1.6363 1.6363 1.8266 1.8266 2.2662 2.2662 3.0646 3.0646 3.3951 3.3951 6.9921 6.9921 8.4238 8.4238 9.2552 9.2552 9.9953 9.9953 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0371 -10.0371 -10.0371 -10.0371 -9.5633 -9.5633 -9.5633 -9.5633 -9.4886 -9.4886 -9.4886 -9.4886 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6378 -8.6378 -8.6378 -8.6378 -0.3605 -0.3605 -0.3605 -0.3605 1.4300 1.4300 1.4300 1.4300 2.1493 2.1493 2.1493 2.1493 3.7896 3.7896 3.7896 3.7896 7.3258 7.3258 7.3258 7.3258 8.9579 8.9579 8.9579 8.9579 k =-0.0192 0.0066 0.6947 ( 4352 PWs) bands (ev): -10.0371 -10.0371 -10.0371 -10.0371 -9.5633 -9.5633 -9.5633 -9.5633 -9.4887 -9.4887 -9.4887 -9.4887 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6378 -8.6378 -8.6378 -8.6378 -0.3622 -0.3622 -0.3622 -0.3622 1.4328 1.4328 1.4328 1.4328 2.1492 2.1492 2.1492 2.1492 3.7899 3.7899 3.7899 3.7899 7.3237 7.3237 7.3237 7.3237 8.9587 8.9587 8.9587 8.9587 k =-0.0385 0.0132 0.6947 ( 4360 PWs) bands (ev): -10.0368 -10.0368 -10.0368 -10.0368 -9.5632 -9.5632 -9.5632 -9.5632 -9.4889 -9.4889 -9.4889 -9.4889 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6381 -8.6381 -8.6381 -8.6381 -0.3673 -0.3673 -0.3673 -0.3673 1.4413 1.4413 1.4413 1.4413 2.1490 2.1490 2.1490 2.1490 3.7909 3.7909 3.7909 3.7909 7.3173 7.3173 7.3173 7.3173 8.9612 8.9612 8.9612 8.9612 k =-0.0577 0.0199 0.6947 ( 4360 PWs) bands (ev): -10.0364 -10.0364 -10.0364 -10.0364 -9.5632 -9.5632 -9.5632 -9.5632 -9.4891 -9.4891 -9.4891 -9.4891 -8.7158 -8.7158 -8.7158 -8.7158 -8.6919 -8.6919 -8.6919 -8.6919 -8.6385 -8.6385 -8.6385 -8.6385 -0.3756 -0.3756 -0.3756 -0.3756 1.4552 1.4552 1.4552 1.4552 2.1486 2.1486 2.1486 2.1486 3.7926 3.7926 3.7926 3.7926 7.3068 7.3068 7.3068 7.3068 8.9654 8.9654 8.9654 8.9654 k =-0.0769 0.0265 0.6947 ( 4356 PWs) bands (ev): -10.0358 -10.0358 -10.0358 -10.0358 -9.5631 -9.5631 -9.5631 -9.5631 -9.4894 -9.4894 -9.4894 -9.4894 -8.7157 -8.7157 -8.7157 -8.7157 -8.6918 -8.6918 -8.6918 -8.6918 -8.6390 -8.6390 -8.6390 -8.6390 -0.3868 -0.3868 -0.3868 -0.3868 1.4743 1.4743 1.4743 1.4743 2.1480 2.1480 2.1480 2.1480 3.7950 3.7950 3.7950 3.7950 7.2920 7.2920 7.2920 7.2920 8.9711 8.9711 8.9711 8.9711 k =-0.0962 0.0331 0.6947 ( 4354 PWs) bands (ev): -10.0350 -10.0350 -10.0350 -10.0350 -9.5630 -9.5630 -9.5630 -9.5630 -9.4899 -9.4899 -9.4899 -9.4899 -8.7157 -8.7157 -8.7157 -8.7157 -8.6917 -8.6917 -8.6917 -8.6917 -8.6396 -8.6396 -8.6396 -8.6396 -0.4007 -0.4007 -0.4007 -0.4007 1.4981 1.4981 1.4981 1.4981 2.1474 2.1474 2.1474 2.1474 3.7981 3.7981 3.7981 3.7981 7.2731 7.2731 7.2731 7.2731 8.9784 8.9784 8.9784 8.9784 k =-0.1154 0.0397 0.6947 ( 4350 PWs) bands (ev): -10.0341 -10.0341 -10.0341 -10.0341 -9.5629 -9.5629 -9.5629 -9.5629 -9.4904 -9.4904 -9.4904 -9.4904 -8.7156 -8.7156 -8.7156 -8.7156 -8.6916 -8.6916 -8.6916 -8.6916 -8.6404 -8.6404 -8.6404 -8.6404 -0.4169 -0.4169 -0.4169 -0.4169 1.5260 1.5260 1.5260 1.5260 2.1466 2.1466 2.1466 2.1466 3.8019 3.8019 3.8019 3.8019 7.2502 7.2502 7.2502 7.2502 8.9871 8.9871 8.9871 8.9871 k =-0.1346 0.0464 0.6947 ( 4340 PWs) bands (ev): -10.0331 -10.0331 -10.0331 -10.0331 -9.5627 -9.5627 -9.5627 -9.5627 -9.4909 -9.4909 -9.4909 -9.4909 -8.7155 -8.7155 -8.7155 -8.7155 -8.6914 -8.6914 -8.6914 -8.6914 -8.6412 -8.6412 -8.6412 -8.6412 -0.4349 -0.4349 -0.4349 -0.4349 1.5576 1.5576 1.5576 1.5576 2.1457 2.1457 2.1457 2.1457 3.8065 3.8065 3.8065 3.8065 7.2234 7.2234 7.2234 7.2234 8.9972 8.9972 8.9972 8.9972 k =-0.1538 0.0530 0.6947 ( 4348 PWs) bands (ev): -10.0319 -10.0319 -10.0319 -10.0319 -9.5626 -9.5626 -9.5626 -9.5626 -9.4916 -9.4916 -9.4916 -9.4916 -8.7154 -8.7154 -8.7154 -8.7154 -8.6913 -8.6913 -8.6913 -8.6913 -8.6422 -8.6422 -8.6422 -8.6422 -0.4544 -0.4544 -0.4544 -0.4544 1.5922 1.5922 1.5923 1.5923 2.1447 2.1447 2.1447 2.1447 3.8119 3.8119 3.8119 3.8119 7.1929 7.1929 7.1929 7.1929 9.0085 9.0085 9.0085 9.0085 k =-0.1731 0.0596 0.6947 ( 4344 PWs) bands (ev): -10.0306 -10.0306 -10.0306 -10.0306 -9.5625 -9.5625 -9.5625 -9.5625 -9.4923 -9.4923 -9.4923 -9.4923 -8.7153 -8.7153 -8.7153 -8.7153 -8.6911 -8.6911 -8.6911 -8.6911 -8.6433 -8.6433 -8.6433 -8.6433 -0.4750 -0.4750 -0.4750 -0.4750 1.6293 1.6293 1.6293 1.6293 2.1437 2.1437 2.1437 2.1437 3.8180 3.8180 3.8180 3.8180 7.1589 7.1589 7.1590 7.1590 9.0210 9.0210 9.0210 9.0210 k =-0.1923 0.0662 0.6947 ( 4352 PWs) bands (ev): -10.0293 -10.0293 -10.0293 -10.0293 -9.5623 -9.5623 -9.5623 -9.5623 -9.4932 -9.4932 -9.4932 -9.4932 -8.7152 -8.7152 -8.7152 -8.7152 -8.6910 -8.6910 -8.6910 -8.6910 -8.6446 -8.6446 -8.6446 -8.6446 -0.4962 -0.4962 -0.4962 -0.4962 1.6682 1.6682 1.6682 1.6682 2.1426 2.1426 2.1426 2.1426 3.8250 3.8250 3.8250 3.8250 7.1219 7.1219 7.1219 7.1219 9.0344 9.0344 9.0344 9.0344 k =-0.2115 0.0728 0.6947 ( 4350 PWs) bands (ev): -10.0279 -10.0279 -10.0279 -10.0279 -9.5621 -9.5621 -9.5621 -9.5621 -9.4940 -9.4940 -9.4940 -9.4940 -8.7151 -8.7151 -8.7151 -8.7151 -8.6908 -8.6908 -8.6908 -8.6908 -8.6458 -8.6458 -8.6458 -8.6458 -0.5178 -0.5178 -0.5178 -0.5178 1.7082 1.7082 1.7082 1.7082 2.1416 2.1416 2.1416 2.1416 3.8327 3.8327 3.8327 3.8327 7.0822 7.0822 7.0822 7.0822 9.0486 9.0486 9.0486 9.0486 k =-0.2308 0.0795 0.6947 ( 4352 PWs) bands (ev): -10.0264 -10.0264 -10.0264 -10.0264 -9.5619 -9.5619 -9.5619 -9.5619 -9.4949 -9.4949 -9.4949 -9.4949 -8.7150 -8.7150 -8.7150 -8.7150 -8.6906 -8.6906 -8.6906 -8.6906 -8.6471 -8.6471 -8.6471 -8.6471 -0.5393 -0.5393 -0.5393 -0.5393 1.7488 1.7488 1.7489 1.7489 2.1405 2.1405 2.1405 2.1405 3.8413 3.8413 3.8413 3.8413 7.0402 7.0402 7.0402 7.0402 9.0635 9.0635 9.0635 9.0635 k =-0.2500 0.0861 0.6947 ( 4350 PWs) bands (ev): -10.0249 -10.0249 -10.0249 -10.0249 -9.5616 -9.5616 -9.5616 -9.5616 -9.4958 -9.4958 -9.4958 -9.4958 -8.7148 -8.7148 -8.7148 -8.7148 -8.6903 -8.6903 -8.6903 -8.6903 -8.6485 -8.6485 -8.6485 -8.6485 -0.5604 -0.5604 -0.5604 -0.5604 1.7894 1.7894 1.7894 1.7894 2.1396 2.1396 2.1396 2.1396 3.8505 3.8505 3.8505 3.8505 6.9965 6.9965 6.9965 6.9965 9.0788 9.0788 9.0788 9.0788 k =-0.2692 0.0927 0.6947 ( 4358 PWs) bands (ev): -10.0234 -10.0234 -10.0234 -10.0234 -9.5615 -9.5615 -9.5615 -9.5615 -9.4968 -9.4968 -9.4968 -9.4968 -8.7147 -8.7147 -8.7147 -8.7147 -8.6901 -8.6901 -8.6901 -8.6901 -8.6499 -8.6499 -8.6499 -8.6499 -0.5810 -0.5810 -0.5810 -0.5810 1.8293 1.8293 1.8293 1.8293 2.1387 2.1387 2.1387 2.1387 3.8605 3.8605 3.8605 3.8605 6.9518 6.9518 6.9518 6.9518 9.0943 9.0943 9.0943 9.0943 k =-0.2885 0.0993 0.6947 ( 4348 PWs) bands (ev): -10.0219 -10.0219 -10.0219 -10.0219 -9.5612 -9.5612 -9.5612 -9.5612 -9.4976 -9.4976 -9.4976 -9.4976 -8.7145 -8.7145 -8.7145 -8.7145 -8.6898 -8.6898 -8.6898 -8.6898 -8.6512 -8.6512 -8.6512 -8.6512 -0.6007 -0.6007 -0.6007 -0.6007 1.8679 1.8679 1.8679 1.8679 2.1381 2.1381 2.1381 2.1381 3.8710 3.8710 3.8710 3.8710 6.9065 6.9065 6.9065 6.9065 9.1098 9.1098 9.1098 9.1098 k =-0.3077 0.1059 0.6947 ( 4358 PWs) bands (ev): -10.0205 -10.0205 -10.0205 -10.0205 -9.5610 -9.5610 -9.5610 -9.5610 -9.4986 -9.4986 -9.4986 -9.4986 -8.7144 -8.7144 -8.7144 -8.7144 -8.6895 -8.6895 -8.6895 -8.6895 -8.6526 -8.6526 -8.6526 -8.6526 -0.6193 -0.6193 -0.6193 -0.6193 1.9048 1.9048 1.9048 1.9048 2.1377 2.1377 2.1377 2.1377 3.8819 3.8819 3.8819 3.8819 6.8616 6.8616 6.8616 6.8616 9.1252 9.1252 9.1252 9.1252 k =-0.3269 0.1126 0.6947 ( 4362 PWs) bands (ev): -10.0191 -10.0191 -10.0191 -10.0191 -9.5607 -9.5607 -9.5607 -9.5607 -9.4995 -9.4995 -9.4995 -9.4995 -8.7143 -8.7143 -8.7143 -8.7143 -8.6893 -8.6893 -8.6893 -8.6893 -8.6540 -8.6540 -8.6540 -8.6540 -0.6366 -0.6366 -0.6366 -0.6366 1.9392 1.9392 1.9392 1.9392 2.1376 2.1376 2.1376 2.1376 3.8931 3.8931 3.8931 3.8931 6.8176 6.8176 6.8176 6.8176 9.1400 9.1400 9.1400 9.1400 k =-0.3462 0.1192 0.6947 ( 4358 PWs) bands (ev): -10.0178 -10.0178 -10.0178 -10.0178 -9.5605 -9.5605 -9.5605 -9.5605 -9.5003 -9.5003 -9.5003 -9.5003 -8.7141 -8.7141 -8.7141 -8.7141 -8.6889 -8.6889 -8.6889 -8.6889 -8.6552 -8.6552 -8.6552 -8.6552 -0.6526 -0.6526 -0.6526 -0.6526 1.9708 1.9708 1.9708 1.9708 2.1381 2.1381 2.1381 2.1381 3.9043 3.9043 3.9043 3.9043 6.7755 6.7755 6.7755 6.7755 9.1542 9.1542 9.1542 9.1542 k =-0.3654 0.1258 0.6947 ( 4354 PWs) bands (ev): -10.0166 -10.0166 -10.0166 -10.0166 -9.5603 -9.5603 -9.5603 -9.5603 -9.5011 -9.5011 -9.5011 -9.5011 -8.7139 -8.7139 -8.7139 -8.7139 -8.6886 -8.6886 -8.6886 -8.6886 -8.6564 -8.6564 -8.6564 -8.6564 -0.6669 -0.6669 -0.6669 -0.6669 1.9988 1.9988 1.9988 1.9988 2.1391 2.1391 2.1391 2.1391 3.9152 3.9152 3.9152 3.9152 6.7359 6.7359 6.7359 6.7359 9.1674 9.1674 9.1674 9.1674 k =-0.3846 0.1324 0.6947 ( 4362 PWs) bands (ev): -10.0155 -10.0155 -10.0155 -10.0155 -9.5601 -9.5601 -9.5601 -9.5601 -9.5018 -9.5018 -9.5018 -9.5018 -8.7139 -8.7139 -8.7139 -8.7139 -8.6884 -8.6884 -8.6884 -8.6884 -8.6575 -8.6575 -8.6575 -8.6575 -0.6796 -0.6796 -0.6796 -0.6796 2.0229 2.0229 2.0229 2.0229 2.1410 2.1410 2.1410 2.1410 3.9256 3.9256 3.9256 3.9256 6.6996 6.6996 6.6996 6.6996 9.1794 9.1794 9.1794 9.1794 k =-0.4038 0.1391 0.6947 ( 4366 PWs) bands (ev): -10.0145 -10.0145 -10.0145 -10.0145 -9.5599 -9.5599 -9.5599 -9.5599 -9.5025 -9.5025 -9.5025 -9.5025 -8.7137 -8.7137 -8.7137 -8.7137 -8.6881 -8.6881 -8.6881 -8.6881 -8.6585 -8.6585 -8.6585 -8.6585 -0.6905 -0.6905 -0.6905 -0.6905 2.0426 2.0426 2.0426 2.0426 2.1437 2.1437 2.1437 2.1437 3.9351 3.9351 3.9351 3.9351 6.6674 6.6674 6.6675 6.6675 9.1900 9.1900 9.1900 9.1900 k =-0.4231 0.1457 0.6947 ( 4364 PWs) bands (ev): -10.0137 -10.0137 -10.0137 -10.0137 -9.5598 -9.5598 -9.5598 -9.5598 -9.5030 -9.5030 -9.5030 -9.5030 -8.7137 -8.7137 -8.7137 -8.7137 -8.6879 -8.6879 -8.6879 -8.6879 -8.6594 -8.6594 -8.6594 -8.6594 -0.6995 -0.6995 -0.6995 -0.6995 2.0577 2.0577 2.0577 2.0577 2.1473 2.1473 2.1473 2.1473 3.9435 3.9435 3.9435 3.9435 6.6400 6.6400 6.6401 6.6401 9.1990 9.1990 9.1990 9.1990 k =-0.4423 0.1523 0.6947 ( 4364 PWs) bands (ev): -10.0131 -10.0131 -10.0131 -10.0131 -9.5597 -9.5597 -9.5597 -9.5597 -9.5034 -9.5034 -9.5034 -9.5034 -8.7136 -8.7136 -8.7136 -8.7136 -8.6877 -8.6877 -8.6877 -8.6877 -8.6601 -8.6601 -8.6601 -8.6601 -0.7066 -0.7066 -0.7066 -0.7066 2.0685 2.0685 2.0685 2.0685 2.1514 2.1514 2.1514 2.1514 3.9504 3.9504 3.9504 3.9504 6.6180 6.6180 6.6180 6.6180 9.2062 9.2062 9.2062 9.2062 k =-0.4615 0.1589 0.6947 ( 4360 PWs) bands (ev): -10.0127 -10.0127 -10.0127 -10.0127 -9.5595 -9.5595 -9.5595 -9.5595 -9.5037 -9.5037 -9.5037 -9.5037 -8.7135 -8.7135 -8.7135 -8.7135 -8.6875 -8.6875 -8.6875 -8.6875 -8.6606 -8.6606 -8.6606 -8.6606 -0.7117 -0.7117 -0.7117 -0.7117 2.0754 2.0754 2.0754 2.0754 2.1551 2.1551 2.1551 2.1551 3.9555 3.9555 3.9555 3.9555 6.6019 6.6019 6.6019 6.6019 9.2115 9.2115 9.2115 9.2115 k =-0.4808 0.1655 0.6947 ( 4360 PWs) bands (ev): -10.0124 -10.0124 -10.0124 -10.0124 -9.5595 -9.5595 -9.5595 -9.5595 -9.5039 -9.5039 -9.5039 -9.5039 -8.7135 -8.7135 -8.7135 -8.7135 -8.6874 -8.6874 -8.6874 -8.6874 -8.6609 -8.6609 -8.6609 -8.6609 -0.7148 -0.7148 -0.7148 -0.7148 2.0792 2.0792 2.0792 2.0792 2.1577 2.1577 2.1577 2.1577 3.9587 3.9587 3.9587 3.9587 6.5921 6.5921 6.5921 6.5921 9.2147 9.2147 9.2147 9.2147 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0123 -10.0123 -10.0123 -10.0123 -9.5594 -9.5594 -9.5594 -9.5594 -9.5039 -9.5039 -9.5039 -9.5039 -8.7134 -8.7134 -8.7134 -8.7134 -8.6873 -8.6873 -8.6873 -8.6873 -8.6610 -8.6610 -8.6610 -8.6610 -0.7158 -0.7158 -0.7158 -0.7158 2.0804 2.0804 2.0804 2.0804 2.1587 2.1587 2.1587 2.1587 3.9598 3.9598 3.9598 3.9598 6.5888 6.5888 6.5888 6.5888 9.2157 9.2157 9.2157 9.2157 Writing output data file InCl.save init_run : 0.25s CPU 0.49s WALL ( 1 calls) electrons : 173.20s CPU 176.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 173.20s CPU 176.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 378 calls) cegterg : 156.39s CPU 158.22s WALL ( 430 calls) Called by sum_band: Called by *egterg: h_psi : 112.33s CPU 113.85s WALL ( 7113 calls) s_psi : 4.55s CPU 4.69s WALL ( 7113 calls) g_psi : 0.19s CPU 0.22s WALL ( 6305 calls) cdiaghg : 38.22s CPU 38.96s WALL ( 6683 calls) cegterg:over : 4.99s CPU 5.02s WALL ( 6305 calls) cegterg:upda : 4.37s CPU 4.27s WALL ( 6305 calls) cegterg:last : 2.57s CPU 2.50s WALL ( 1186 calls) cdiaghg:chol : 2.10s CPU 2.17s WALL ( 6683 calls) cdiaghg:inve : 1.44s CPU 1.39s WALL ( 6683 calls) cdiaghg:para : 2.27s CPU 2.23s WALL ( 13366 calls) Called by h_psi: h_psi:vloc : 101.36s CPU 102.81s WALL ( 7113 calls) h_psi:vnl : 10.78s CPU 10.82s WALL ( 7113 calls) add_vuspsi : 5.46s CPU 5.44s WALL ( 7113 calls) General routines calbec : 5.29s CPU 5.36s WALL ( 7113 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.84s CPU 96.99s WALL ( 723928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.23s WALL ( 756 calls) Parallel routines fft_scatter : 24.58s CPU 25.24s WALL ( 723951 calls) PWSCF : 3m11.37s CPU 3m37.23s WALL This run was terminated on: 17: 9:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=