Program PWSCF v.5.1.1 starts on 27Jun2015 at 6:26:27 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 28 8 974 714 114 Max 35 29 9 977 735 119 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: /home/autes/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: /home/autes/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) No symmetry found (note: 1 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 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 0.6736180 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 0.2058823), 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 0.6736180 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 0.14 Mb ( 192, 48) NL pseudopotentials 0.20 Mb ( 96, 136) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 977) G-vector shells 0.00 Mb ( 493) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 192, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) 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 43.8 secs Computing kpt #: 2 total cpu time spent up to now is 46.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 51.2 secs Computing kpt #: 5 total cpu time spent up to now is 52.7 secs Computing kpt #: 6 total cpu time spent up to now is 54.4 secs Computing kpt #: 7 total cpu time spent up to now is 56.1 secs Computing kpt #: 8 total cpu time spent up to now is 57.9 secs Computing kpt #: 9 total cpu time spent up to now is 59.6 secs Computing kpt #: 10 total cpu time spent up to now is 61.2 secs Computing kpt #: 11 total cpu time spent up to now is 62.9 secs Computing kpt #: 12 total cpu time spent up to now is 64.4 secs Computing kpt #: 13 total cpu time spent up to now is 66.3 secs Computing kpt #: 14 total cpu time spent up to now is 67.7 secs Computing kpt #: 15 total cpu time spent up to now is 69.2 secs Computing kpt #: 16 total cpu time spent up to now is 70.9 secs Computing kpt #: 17 total cpu time spent up to now is 72.4 secs Computing kpt #: 18 total cpu time spent up to now is 76.4 secs Computing kpt #: 19 total cpu time spent up to now is 78.5 secs Computing kpt #: 20 total cpu time spent up to now is 80.1 secs Computing kpt #: 21 total cpu time spent up to now is 82.1 secs Computing kpt #: 22 total cpu time spent up to now is 84.1 secs Computing kpt #: 23 total cpu time spent up to now is 85.5 secs Computing kpt #: 24 total cpu time spent up to now is 86.8 secs Computing kpt #: 25 total cpu time spent up to now is 88.2 secs Computing kpt #: 26 total cpu time spent up to now is 89.8 secs Computing kpt #: 27 total cpu time spent up to now is 92.1 secs Computing kpt #: 28 total cpu time spent up to now is 93.9 secs Computing kpt #: 29 total cpu time spent up to now is 98.2 secs Computing kpt #: 30 total cpu time spent up to now is 100.8 secs Computing kpt #: 31 total cpu time spent up to now is 102.9 secs Computing kpt #: 32 total cpu time spent up to now is 104.5 secs Computing kpt #: 33 total cpu time spent up to now is 106.0 secs Computing kpt #: 34 total cpu time spent up to now is 107.7 secs Computing kpt #: 35 total cpu time spent up to now is 110.0 secs Computing kpt #: 36 total cpu time spent up to now is 112.3 secs Computing kpt #: 37 total cpu time spent up to now is 115.6 secs Computing kpt #: 38 total cpu time spent up to now is 117.8 secs Computing kpt #: 39 total cpu time spent up to now is 120.1 secs Computing kpt #: 40 total cpu time spent up to now is 121.5 secs Computing kpt #: 41 total cpu time spent up to now is 124.1 secs Computing kpt #: 42 total cpu time spent up to now is 125.8 secs Computing kpt #: 43 total cpu time spent up to now is 127.2 secs Computing kpt #: 44 total cpu time spent up to now is 129.0 secs Computing kpt #: 45 total cpu time spent up to now is 132.3 secs Computing kpt #: 46 total cpu time spent up to now is 133.6 secs Computing kpt #: 47 total cpu time spent up to now is 134.9 secs Computing kpt #: 48 total cpu time spent up to now is 136.8 secs Computing kpt #: 49 total cpu time spent up to now is 138.3 secs Computing kpt #: 50 total cpu time spent up to now is 140.2 secs Computing kpt #: 51 total cpu time spent up to now is 143.4 secs Computing kpt #: 52 total cpu time spent up to now is 146.6 secs Computing kpt #: 53 total cpu time spent up to now is 148.2 secs Computing kpt #: 54 total cpu time spent up to now is 149.5 secs Computing kpt #: 55 total cpu time spent up to now is 151.8 secs Computing kpt #: 56 total cpu time spent up to now is 154.3 secs Computing kpt #: 57 total cpu time spent up to now is 156.6 secs Computing kpt #: 58 total cpu time spent up to now is 157.9 secs Computing kpt #: 59 total cpu time spent up to now is 159.6 secs Computing kpt #: 60 total cpu time spent up to now is 161.6 secs Computing kpt #: 61 total cpu time spent up to now is 163.9 secs Computing kpt #: 62 total cpu time spent up to now is 167.0 secs Computing kpt #: 63 total cpu time spent up to now is 168.4 secs Computing kpt #: 64 total cpu time spent up to now is 169.7 secs Computing kpt #: 65 total cpu time spent up to now is 171.2 secs Computing kpt #: 66 total cpu time spent up 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Computing kpt #: 82 total cpu time spent up to now is 197.3 secs Computing kpt #: 83 total cpu time spent up to now is 200.5 secs Computing kpt #: 84 total cpu time spent up to now is 204.6 secs Computing kpt #: 85 total cpu time spent up to now is 206.6 secs Computing kpt #: 86 total cpu time spent up to now is 208.3 secs Computing kpt #: 87 total cpu time spent up to now is 210.3 secs Computing kpt #: 88 total cpu time spent up to now is 212.7 secs Computing kpt #: 89 total cpu time spent up to now is 215.2 secs Computing kpt #: 90 total cpu time spent up to now is 217.2 secs Computing kpt #: 91 total cpu time spent up to now is 220.1 secs Computing kpt #: 92 total cpu time spent up to now is 221.8 secs Computing kpt #: 93 total cpu time spent up to now is 224.7 secs Computing kpt #: 94 total cpu time spent up to now is 227.1 secs Computing kpt #: 95 total cpu time spent up to now is 229.8 secs Computing kpt #: 96 total cpu time spent up to now is 232.1 secs Computing kpt #: 97 total cpu time spent up to now is 234.2 secs Computing kpt #: 98 total cpu time spent up to now is 239.5 secs Computing kpt #: 99 total cpu time spent up to now is 240.7 secs Computing kpt #: 100 total cpu time spent up to now is 242.5 secs Computing kpt #: 101 total cpu time spent up to now is 245.1 secs Computing kpt #: 102 total cpu time spent up to now is 246.3 secs Computing kpt #: 103 total cpu time spent up to now is 247.8 secs Computing kpt #: 104 total cpu time spent up to now is 249.2 secs Computing kpt #: 105 total cpu time spent up to now is 250.4 secs Computing kpt #: 106 total cpu time spent up to now is 251.6 secs Computing kpt #: 107 total cpu time spent up to now is 253.6 secs Computing kpt #: 108 total cpu time spent up to now is 256.5 secs Computing kpt #: 109 total cpu time spent up to now is 257.7 secs Computing kpt #: 110 total cpu time spent up to now is 258.9 secs Computing kpt #: 111 total cpu time spent up to now is 260.1 secs Computing kpt #: 112 total cpu time 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Computing kpt #: 158 total cpu time spent up to now is 363.8 secs Computing kpt #: 159 total cpu time spent up to now is 365.4 secs Computing kpt #: 160 total cpu time spent up to now is 366.7 secs Computing kpt #: 161 total cpu time spent up to now is 368.3 secs Computing kpt #: 162 total cpu time spent up to now is 369.7 secs Computing kpt #: 163 total cpu time spent up to now is 371.6 secs Computing kpt #: 164 total cpu time spent up to now is 373.6 secs Computing kpt #: 165 total cpu time spent up to now is 377.9 secs Computing kpt #: 166 total cpu time spent up to now is 380.0 secs Computing kpt #: 167 total cpu time spent up to now is 382.2 secs Computing kpt #: 168 total cpu time spent up to now is 384.5 secs Computing kpt #: 169 total cpu time spent up to now is 386.1 secs Computing kpt #: 170 total cpu time spent up to now is 388.5 secs Computing kpt #: 171 total cpu time spent up to now is 391.9 secs Computing kpt #: 172 total cpu time spent up to now is 393.2 secs Computing kpt #: 173 total cpu time spent up to now is 395.0 secs Computing kpt #: 174 total cpu time spent up to now is 397.2 secs Computing kpt #: 175 total cpu time spent up to now is 399.2 secs Computing kpt #: 176 total cpu time spent up to now is 400.9 secs Computing kpt #: 177 total cpu time spent up to now is 406.9 secs Computing kpt #: 178 total cpu time spent up to now is 408.8 secs Computing kpt #: 179 total cpu time spent up to now is 411.5 secs Computing kpt #: 180 total cpu time spent up to now is 413.3 secs Computing kpt #: 181 total cpu time spent up to now is 415.0 secs Computing kpt #: 182 total cpu time spent up to now is 417.9 secs Computing kpt #: 183 total cpu time spent up to now is 419.5 secs Computing kpt #: 184 total cpu time spent up to now is 423.6 secs Computing kpt #: 185 total cpu time spent up to now is 426.5 secs Computing kpt #: 186 total cpu time spent up to now is 428.7 secs Computing kpt #: 187 total cpu time spent up to now is 433.4 secs Computing kpt #: 188 total cpu time spent up to now is 436.0 secs Computing kpt #: 189 total cpu time spent up to now is 440.6 secs Computing kpt #: 190 total cpu time spent up to now is 442.4 secs Computing kpt #: 191 total cpu time spent up to now is 444.3 secs Computing kpt #: 192 total cpu time spent up to now is 446.3 secs Computing kpt #: 193 total cpu time spent up to now is 447.8 secs Computing kpt #: 194 total cpu time spent up to now is 449.5 secs Computing kpt #: 195 total cpu time spent up to now is 451.0 secs Computing kpt #: 196 total cpu time spent up to now is 452.5 secs Computing kpt #: 197 total cpu time spent up to now is 453.9 secs Computing kpt #: 198 total cpu time spent up to now is 455.5 secs Computing kpt #: 199 total cpu time spent up to now is 459.2 secs Computing kpt #: 200 total cpu time spent up to now is 461.3 secs Computing kpt #: 201 total cpu time spent up to now is 462.8 secs Computing kpt #: 202 total cpu time spent up to now is 464.7 secs Computing kpt #: 203 total cpu time spent up to now is 466.1 secs Computing kpt #: 204 total cpu time spent up to now is 467.5 secs Computing kpt #: 205 total cpu time spent up to now is 469.0 secs Computing kpt #: 206 total cpu time spent up to now is 470.7 secs Computing kpt #: 207 total cpu time spent up to now is 473.1 secs Computing kpt #: 208 total cpu time spent up to now is 475.5 secs Computing kpt #: 209 total cpu time spent up to now is 479.4 secs Computing kpt #: 210 total cpu time spent up to now is 480.8 secs Computing kpt #: 211 total cpu time spent up to now is 482.2 secs Computing kpt #: 212 total cpu time spent up to now is 485.4 secs Computing kpt #: 213 total cpu time spent up to now is 487.1 secs Computing kpt #: 214 total cpu time spent up to now is 489.4 secs Computing kpt #: 215 total cpu time spent up to now is 491.5 secs Computing kpt #: 216 total cpu time spent up to now is 495.4 secs Computing kpt #: 217 total cpu time spent up to now is 497.0 secs Computing kpt #: 218 total cpu time spent up to now is 498.7 secs Computing kpt #: 219 total cpu time spent up to now is 500.7 secs Computing kpt #: 220 total cpu time spent up to now is 502.7 secs Computing kpt #: 221 total cpu time spent up to now is 504.4 secs Computing kpt #: 222 total cpu time spent up to now is 506.9 secs Computing kpt #: 223 total cpu time spent up to now is 508.7 secs Computing kpt #: 224 total cpu time spent up to now is 511.7 secs Computing kpt #: 225 total cpu time spent up to now is 516.5 secs Computing kpt #: 226 total cpu time spent up to now is 520.5 secs Computing kpt #: 227 total cpu time spent up to now is 523.9 secs Computing kpt #: 228 total cpu time spent up to now is 529.5 secs Computing kpt #: 229 total cpu time spent up to now is 530.9 secs Computing kpt #: 230 total cpu time spent up to now is 532.6 secs Computing kpt #: 231 total cpu time spent up to now is 534.9 secs Computing kpt #: 232 total cpu time spent up to now is 538.2 secs Computing kpt #: 233 total cpu time spent up to now is 541.2 secs Computing kpt #: 234 total cpu time spent up to now is 543.0 secs Computing kpt #: 235 total cpu time spent up to now is 544.9 secs Computing kpt #: 236 total cpu time spent up to now is 546.3 secs Computing kpt #: 237 total cpu time spent up to now is 547.5 secs Computing kpt #: 238 total cpu time spent up to now is 549.0 secs Computing kpt #: 239 total cpu time spent up to now is 550.2 secs Computing kpt #: 240 total cpu time spent up to now is 551.5 secs Computing kpt #: 241 total cpu time spent up to now is 554.1 secs Computing kpt #: 242 total cpu time spent up to now is 556.2 secs Computing kpt #: 243 total cpu time spent up to now is 557.5 secs Computing kpt #: 244 total cpu time spent up to now is 558.7 secs Computing kpt #: 245 total cpu time spent up to now is 560.0 secs Computing kpt #: 246 total cpu time spent up to now is 561.9 secs Computing kpt #: 247 total cpu time spent up to now is 563.9 secs Computing kpt #: 248 total cpu time spent up to now is 565.5 secs Computing kpt #: 249 total cpu time spent up to now is 566.9 secs Computing kpt #: 250 total cpu time spent up to now is 568.2 secs Computing kpt #: 251 total cpu time spent up to now is 570.0 secs Computing kpt #: 252 total cpu time spent up to now is 571.3 secs Computing kpt #: 253 total cpu time spent up to now is 572.6 secs Computing kpt #: 254 total cpu time spent up to now is 574.3 secs Computing kpt #: 255 total cpu time spent up to now is 577.2 secs Computing kpt #: 256 total cpu time spent up to now is 581.2 secs Computing kpt #: 257 total cpu time spent up to now is 582.9 secs Computing kpt #: 258 total cpu time spent up to now is 584.2 secs Computing kpt #: 259 total cpu time spent up to now is 586.2 secs Computing kpt #: 260 total cpu time spent up to now is 589.4 secs Computing kpt #: 261 total cpu time spent up to now is 590.6 secs Computing kpt #: 262 total cpu time spent up to now is 592.3 secs Computing kpt #: 263 total cpu time spent up to now is 593.9 secs Computing kpt #: 264 total cpu time spent up to now is 595.0 secs Computing kpt #: 265 total cpu time spent up to now is 596.8 secs Computing kpt #: 266 total cpu time spent up to now is 598.0 secs Computing kpt #: 267 total cpu time spent up to now is 599.7 secs Computing kpt #: 268 total cpu time spent up to now is 601.7 secs Computing kpt #: 269 total cpu time spent up to now is 604.3 secs Computing kpt #: 270 total cpu time spent up to now is 607.2 secs Computing kpt #: 271 total cpu time spent up to now is 610.0 secs Computing kpt #: 272 total cpu time spent up to now is 611.2 secs Computing kpt #: 273 total cpu time spent up to now is 612.4 secs Computing kpt #: 274 total cpu time spent up to now is 613.8 secs Computing kpt #: 275 total cpu time spent up to now is 616.4 secs Computing kpt #: 276 total cpu time spent up to now is 619.2 secs Computing kpt #: 277 total cpu time spent up to now is 621.0 secs Computing kpt #: 278 total cpu time spent up to now is 622.8 secs Computing kpt #: 279 total cpu time spent up to now is 624.7 secs Computing kpt #: 280 total cpu time spent up to now is 626.6 secs Computing kpt #: 281 total cpu time spent up to now is 631.4 secs Computing kpt #: 282 total cpu time spent up to now is 632.6 secs Computing kpt #: 283 total cpu time spent up to now is 633.8 secs Computing kpt #: 284 total cpu time spent up to now is 635.1 secs Computing kpt #: 285 total cpu time spent up to now is 636.4 secs Computing kpt #: 286 total cpu time spent up to now is 637.8 secs Computing kpt #: 287 total cpu time spent up to now is 639.0 secs Computing kpt #: 288 total cpu time spent up to now is 641.5 secs Computing kpt #: 289 total cpu time spent up to now is 642.7 secs Computing kpt #: 290 total cpu time spent up to now is 643.9 secs Computing kpt #: 291 total cpu time spent up to now is 651.1 secs Computing kpt #: 292 total cpu time spent up to now is 652.2 secs Computing kpt #: 293 total cpu time spent up to now is 653.4 secs Computing kpt #: 294 total cpu time spent up to now is 654.6 secs Computing kpt #: 295 total cpu time spent up to now is 656.5 secs Computing kpt #: 296 total cpu time spent up to now is 659.2 secs Computing kpt #: 297 total cpu time spent up to now is 660.7 secs Computing kpt #: 298 total cpu time spent up to now is 662.3 secs Computing kpt #: 299 total cpu time spent up to now is 663.5 secs Computing kpt #: 300 total cpu time spent up to now is 664.7 secs Computing kpt #: 301 total cpu time spent up to now is 665.9 secs Computing kpt #: 302 total cpu time spent up to now is 667.1 secs Computing kpt #: 303 total cpu time spent up to now is 668.3 secs Computing kpt #: 304 total cpu time spent up to now is 670.5 secs Computing kpt #: 305 total cpu time spent up to now is 675.3 secs Computing kpt #: 306 total cpu time spent up to now is 677.7 secs Computing kpt #: 307 total cpu time spent up to now is 680.3 secs Computing kpt #: 308 total cpu time spent up to now is 682.3 secs Computing kpt #: 309 total cpu time spent up to now is 684.3 secs Computing kpt #: 310 total cpu time spent up to now is 685.9 secs Computing kpt #: 311 total cpu time spent up to now is 687.3 secs Computing kpt #: 312 total cpu time spent up to now is 688.7 secs Computing kpt #: 313 total cpu time spent up to now is 690.1 secs Computing kpt #: 314 total cpu time spent up to now is 691.6 secs Computing kpt #: 315 total cpu time spent up to now is 693.7 secs Computing kpt #: 316 total cpu time spent up to now is 695.4 secs Computing kpt #: 317 total cpu time spent up to now is 697.8 secs Computing kpt #: 318 total cpu time spent up to now is 699.7 secs Computing kpt #: 319 total cpu time spent up to now is 703.9 secs Computing kpt #: 320 total cpu time spent up to now is 706.1 secs Computing kpt #: 321 total cpu time spent up to now is 707.9 secs Computing kpt #: 322 total cpu time spent up to now is 709.3 secs Computing kpt #: 323 total cpu time spent up to now is 712.5 secs Computing kpt #: 324 total cpu time spent up to now is 715.1 secs Computing kpt #: 325 total cpu time spent up to now is 717.2 secs Computing kpt #: 326 total cpu time spent up to now is 720.6 secs Computing kpt #: 327 total cpu time spent up to now is 723.2 secs Computing kpt #: 328 total cpu time spent up to now is 725.1 secs Computing kpt #: 329 total cpu time spent up to now is 726.5 secs Computing kpt #: 330 total cpu time spent up to now is 728.1 secs Computing kpt #: 331 total cpu time spent up to now is 729.5 secs Computing kpt #: 332 total cpu time spent up to now is 731.6 secs Computing kpt #: 333 total cpu time spent up to now is 733.1 secs Computing kpt #: 334 total cpu time spent up to now is 734.6 secs Computing kpt #: 335 total cpu time spent up to now is 736.0 secs Computing kpt #: 336 total cpu time spent up to now is 737.5 secs Computing kpt #: 337 total cpu time spent up to now is 739.3 secs Computing kpt #: 338 total cpu time spent up to now is 741.5 secs Computing kpt #: 339 total cpu time spent up to now is 743.7 secs Computing kpt #: 340 total cpu time spent up to now is 745.8 secs Computing kpt #: 341 total cpu time spent up to now is 748.0 secs Computing kpt #: 342 total cpu time spent up to now is 750.4 secs Computing kpt #: 343 total cpu time spent up to now is 752.2 secs Computing kpt #: 344 total cpu time spent up to now is 753.8 secs Computing kpt #: 345 total cpu time spent up to now is 755.3 secs Computing kpt #: 346 total cpu time spent up to now is 756.7 secs Computing kpt #: 347 total cpu time spent up to now is 758.2 secs Computing kpt #: 348 total cpu time spent up to now is 760.7 secs Computing kpt #: 349 total cpu time spent up to now is 763.3 secs Computing kpt #: 350 total cpu time spent up to now is 765.3 secs Computing kpt #: 351 total cpu time spent up to now is 767.7 secs Computing kpt #: 352 total cpu time spent up to now is 769.0 secs Computing kpt #: 353 total cpu time spent up to now is 770.4 secs Computing kpt #: 354 total cpu time spent up to now is 773.9 secs Computing kpt #: 355 total cpu time spent up to now is 775.6 secs Computing kpt #: 356 total cpu time spent up to now is 777.0 secs Computing kpt #: 357 total cpu time spent up to now is 779.3 secs Computing kpt #: 358 total cpu time spent up to now is 781.0 secs Computing kpt #: 359 total cpu time spent up to now is 782.4 secs Computing kpt #: 360 total cpu time spent up to now is 783.7 secs Computing kpt #: 361 total cpu time spent up to now is 785.1 secs Computing kpt #: 362 total cpu time spent up to now is 786.7 secs Computing kpt #: 363 total cpu time spent up to now is 788.9 secs Computing kpt #: 364 total cpu time spent up to now is 791.4 secs Computing kpt #: 365 total cpu time spent up to now is 793.9 secs Computing kpt #: 366 total cpu time spent up to now is 796.3 secs Computing kpt #: 367 total cpu time spent up to now is 799.5 secs Computing kpt #: 368 total cpu time spent up to now is 801.8 secs Computing kpt #: 369 total cpu time spent up to now is 803.6 secs Computing kpt #: 370 total cpu time spent up to now is 805.0 secs Computing kpt #: 371 total cpu time spent up to now is 806.4 secs Computing kpt #: 372 total cpu time spent up to now is 808.5 secs Computing kpt #: 373 total cpu time spent up to now is 810.6 secs Computing kpt #: 374 total cpu time spent up to now is 812.5 secs Computing kpt #: 375 total cpu time spent up to now is 815.8 secs Computing kpt #: 376 total cpu time spent up to now is 818.4 secs Computing kpt #: 377 total cpu time spent up to now is 820.0 secs Computing kpt #: 378 total cpu time spent up to now is 822.4 secs ethr = 2.50E-11, avg # of iterations = 22.5 total cpu time spent up to now is 822.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1803 -10.1803 -10.0576 -10.0576 -9.5613 -9.5613 -9.5550 -9.5550 -9.5514 -9.5514 -9.3835 -9.3835 -8.7173 -8.7173 -8.7109 -8.7109 -8.7066 -8.7066 -8.6711 -8.6711 -8.6634 -8.6634 -8.5528 -8.5528 0.4720 0.4720 0.7764 0.7764 0.8496 0.8496 1.1899 1.1899 1.7493 1.7493 1.9979 1.9979 2.1605 2.1605 3.5452 3.5452 8.3237 8.3237 8.9248 8.9248 9.3312 9.3312 9.9837 9.9837 k = 0.0067 0.0193-0.0000 ( 4355 PWs) bands (ev): -10.1801 -10.1800 -10.0576 -10.0574 -9.5614 -9.5611 -9.5550 -9.5550 -9.5514 -9.5513 -9.3838 -9.3833 -8.7174 -8.7171 -8.7110 -8.7109 -8.7066 -8.7065 -8.6712 -8.6711 -8.6635 -8.6633 -8.5529 -8.5528 0.4713 0.4715 0.7737 0.7756 0.8472 0.8473 1.1888 1.1920 1.7499 1.7511 1.9966 2.0004 2.1623 2.1659 3.5460 3.5463 8.3168 8.3173 8.9209 8.9239 9.3279 9.3334 9.9829 9.9844 k = 0.0133 0.0387-0.0000 ( 4355 PWs) bands (ev): -10.1794 -10.1792 -10.0573 -10.0569 -9.5615 -9.5609 -9.5549 -9.5549 -9.5514 -9.5513 -9.3842 -9.3833 -8.7174 -8.7170 -8.7110 -8.7109 -8.7066 -8.7064 -8.6713 -8.6711 -8.6636 -8.6632 -8.5532 -8.5531 0.4691 0.4695 0.7674 0.7712 0.8404 0.8405 1.1888 1.1952 1.7529 1.7554 1.9965 2.0035 2.1718 2.1785 3.5488 3.5493 8.2969 8.2979 8.9123 8.9183 9.3238 9.3345 9.9816 9.9847 k = 0.0200 0.0580-0.0000 ( 4361 PWs) bands (ev): -10.1782 -10.1780 -10.0568 -10.0563 -9.5615 -9.5607 -9.5550 -9.5549 -9.5513 -9.5512 -9.3849 -9.3835 -8.7175 -8.7167 -8.7110 -8.7108 -8.7066 -8.7063 -8.6715 -8.6711 -8.6638 -8.6632 -8.5537 -8.5535 0.4652 0.4658 0.7578 0.7632 0.8299 0.8300 1.1902 1.1994 1.7583 1.7619 1.9977 2.0071 2.1887 2.1978 3.5535 3.5543 8.2644 8.2656 8.8992 8.9083 9.3190 9.3344 9.9790 9.9841 k = 0.0266 0.0773-0.0000 ( 4365 PWs) bands (ev): -10.1766 -10.1763 -10.0560 -10.0553 -9.5616 -9.5606 -9.5550 -9.5549 -9.5512 -9.5510 -9.3856 -9.3837 -8.7175 -8.7165 -8.7110 -8.7107 -8.7066 -8.7061 -8.6717 -8.6711 -8.6639 -8.6632 -8.5544 -8.5541 0.4589 0.4598 0.7450 0.7519 0.8170 0.8171 1.1930 1.2047 1.7658 1.7705 1.9998 2.0108 2.2127 2.2233 3.5602 3.5613 8.2199 8.2210 8.8820 8.8941 9.3136 9.3330 9.9735 9.9811 k = 0.0333 0.0967-0.0000 ( 4369 PWs) bands (ev): -10.1745 -10.1741 -10.0550 -10.0542 -9.5616 -9.5603 -9.5549 -9.5548 -9.5511 -9.5508 -9.3865 -9.3842 -8.7174 -8.7161 -8.7110 -8.7106 -8.7067 -8.7060 -8.6718 -8.6712 -8.6641 -8.6632 -8.5552 -8.5548 0.4495 0.4506 0.7291 0.7372 0.8030 0.8032 1.1974 1.2111 1.7753 1.7809 2.0028 2.0146 2.2431 2.2545 3.5688 3.5701 8.1640 8.1649 8.8611 8.8763 9.3078 9.3306 9.9628 9.9736 k = 0.0399 0.1160-0.0000 ( 4365 PWs) bands (ev): -10.1720 -10.1715 -10.0538 -10.0528 -9.5616 -9.5601 -9.5549 -9.5548 -9.5509 -9.5506 -9.3875 -9.3847 -8.7172 -8.7157 -8.7109 -8.7105 -8.7066 -8.7058 -8.6720 -8.6712 -8.6643 -8.6632 -8.5562 -8.5557 0.4360 0.4374 0.7105 0.7194 0.7899 0.7900 1.2034 1.2187 1.7864 1.7928 2.0064 2.0184 2.2792 2.2908 3.5794 3.5809 8.0980 8.0985 8.8366 8.8551 9.3015 9.3272 9.9436 9.9586 k = 0.0466 0.1354-0.0000 ( 4361 PWs) bands (ev): -10.1690 -10.1685 -10.0524 -10.0512 -9.5615 -9.5598 -9.5548 -9.5547 -9.5506 -9.5503 -9.3886 -9.3854 -8.7171 -8.7153 -8.7109 -8.7104 -8.7066 -8.7056 -8.6723 -8.6713 -8.6644 -8.6632 -8.5573 -8.5567 0.4176 0.4193 0.6892 0.6987 0.7791 0.7792 1.2111 1.2276 1.7990 1.8060 2.0104 2.0223 2.3200 2.3315 3.5918 3.5937 8.0228 8.0229 8.8089 8.8308 9.2947 9.3228 9.9120 9.9323 k = 0.0533 0.1547-0.0000 ( 4347 PWs) bands (ev): -10.1656 -10.1650 -10.0507 -10.0494 -9.5614 -9.5595 -9.5547 -9.5546 -9.5502 -9.5499 -9.3899 -9.3862 -8.7168 -8.7148 -8.7107 -8.7102 -8.7065 -8.7054 -8.6724 -8.6713 -8.6646 -8.6632 -8.5586 -8.5579 0.3939 0.3957 0.6657 0.6755 0.7720 0.7720 1.2206 1.2379 1.8127 1.8202 2.0149 2.0264 2.3647 2.3759 3.6063 3.6084 7.9393 7.9400 8.7781 8.8034 9.2871 9.3174 9.8649 9.8911 k = 0.0599 0.1740-0.0000 ( 4365 PWs) bands (ev): -10.1618 -10.1612 -10.0489 -10.0474 -9.5614 -9.5593 -9.5547 -9.5546 -9.5499 -9.5495 -9.3914 -9.3873 -8.7166 -8.7143 -8.7106 -8.7101 -8.7066 -8.7052 -8.6727 -8.6714 -8.6649 -8.6634 -8.5602 -8.5594 0.3648 0.3668 0.6401 0.6500 0.7691 0.7692 1.2317 1.2495 1.8273 1.8352 2.0197 2.0307 2.4126 2.4235 3.6226 3.6250 7.8493 7.8505 8.7442 8.7732 9.2786 9.3111 9.8010 9.8331 k = 0.0666 0.1934-0.0000 ( 4365 PWs) bands (ev): -10.1576 -10.1569 -10.0469 -10.0452 -9.5612 -9.5591 -9.5546 -9.5546 -9.5494 -9.5491 -9.3930 -9.3885 -8.7163 -8.7138 -8.7105 -8.7099 -8.7065 -8.7050 -8.6730 -8.6715 -8.6651 -8.6635 -8.5619 -8.5609 0.3307 0.3327 0.6128 0.6225 0.7707 0.7709 1.2445 1.2625 1.8424 1.8507 2.0247 2.0351 2.4631 2.4735 3.6410 3.6436 7.7541 7.7558 8.7074 8.7400 9.2686 9.3035 9.7218 9.7588 k = 0.0732 0.2127-0.0000 ( 4379 PWs) bands (ev): -10.1531 -10.1523 -10.0447 -10.0429 -9.5612 -9.5590 -9.5545 -9.5545 -9.5490 -9.5486 -9.3947 -9.3899 -8.7161 -8.7134 -8.7104 -8.7098 -8.7065 -8.7048 -8.6733 -8.6716 -8.6653 -8.6636 -8.5637 -8.5625 0.2923 0.2944 0.5842 0.5936 0.7765 0.7768 1.2589 1.2770 1.8579 1.8664 2.0299 2.0397 2.5156 2.5255 3.6612 3.6641 7.6548 7.6570 8.6676 8.7040 9.2567 9.2945 9.6306 9.6711 k = 0.0799 0.2320-0.0000 ( 4375 PWs) bands (ev): -10.1482 -10.1474 -10.0423 -10.0404 -9.5611 -9.5588 -9.5544 -9.5543 -9.5483 -9.5480 -9.3965 -9.3913 -8.7157 -8.7129 -8.7101 -8.7096 -8.7064 -8.7045 -8.6736 -8.6716 -8.6655 -8.6637 -8.5657 -8.5643 0.2506 0.2526 0.5544 0.5635 0.7862 0.7866 1.2748 1.2927 1.8736 1.8822 2.0353 2.0445 2.5696 2.5791 3.6834 3.6866 7.5526 7.5552 8.6248 8.6652 9.2413 9.2833 9.5318 9.5739 k = 0.0866 0.2514-0.0000 ( 4375 PWs) bands (ev): -10.1430 -10.1422 -10.0398 -10.0377 -9.5609 -9.5586 -9.5543 -9.5541 -9.5476 -9.5474 -9.3985 -9.3930 -8.7154 -8.7124 -8.7098 -8.7094 -8.7064 -8.7043 -8.6738 -8.6716 -8.6657 -8.6637 -8.5678 -8.5663 0.2062 0.2082 0.5238 0.5324 0.7992 0.7996 1.2921 1.3098 1.8893 1.8979 2.0407 2.0493 2.6246 2.6337 3.7076 3.7110 7.4485 7.4514 8.5791 8.6237 9.2193 9.2682 9.4312 9.4720 k = 0.0932 0.2707-0.0000 ( 4373 PWs) bands (ev): -10.1376 -10.1367 -10.0372 -10.0350 -9.5607 -9.5585 -9.5542 -9.5540 -9.5468 -9.5467 -9.4006 -9.3948 -8.7151 -8.7120 -8.7094 -8.7091 -8.7064 -8.7040 -8.6740 -8.6716 -8.6659 -8.6638 -8.5701 -8.5683 0.1599 0.1618 0.4926 0.5008 0.8151 0.8156 1.3107 1.3282 1.9047 1.9134 2.0461 2.0542 2.6804 2.6891 3.7337 3.7373 7.3434 7.3465 8.5306 8.5796 9.1813 9.2428 9.3403 9.3740 k = 0.0999 0.2901-0.0000 ( 4369 PWs) bands (ev): -10.1319 -10.1309 -10.0345 -10.0322 -9.5605 -9.5583 -9.5541 -9.5538 -9.5459 -9.5458 -9.4029 -9.3967 -8.7147 -8.7116 -8.7089 -8.7088 -8.7063 -8.7038 -8.6741 -8.6716 -8.6661 -8.6639 -8.5725 -8.5705 0.1123 0.1142 0.4610 0.4688 0.8336 0.8341 1.3306 1.3477 1.9198 1.9285 2.0516 2.0590 2.7365 2.7448 3.7617 3.7656 7.2382 7.2414 8.4792 8.5330 9.1108 9.1860 9.2771 9.3029 k = 0.1065 0.3094-0.0000 ( 4363 PWs) bands (ev): -10.1259 -10.1249 -10.0317 -10.0293 -9.5603 -9.5582 -9.5540 -9.5537 -9.5450 -9.5448 -9.4052 -9.3989 -8.7143 -8.7113 -8.7085 -8.7084 -8.7062 -8.7035 -8.6742 -8.6715 -8.6663 -8.6640 -8.5750 -8.5728 0.0640 0.0658 0.4295 0.4368 0.8543 0.8548 1.3516 1.3684 1.9345 1.9431 2.0569 2.0638 2.7927 2.8005 3.7916 3.7957 7.1335 7.1369 8.4250 8.4840 9.0106 9.0902 9.2401 9.2677 k = 0.1132 0.3287-0.0000 ( 4357 PWs) bands (ev): -10.1198 -10.1188 -10.0288 -10.0263 -9.5600 -9.5581 -9.5539 -9.5535 -9.5440 -9.5436 -9.4078 -9.4012 -8.7140 -8.7110 -8.7082 -8.7080 -8.7060 -8.7032 -8.6743 -8.6714 -8.6665 -8.6640 -8.5776 -8.5751 0.0154 0.0172 0.3980 0.4049 0.8771 0.8776 1.3737 1.3901 1.9485 1.9570 2.0620 2.0685 2.8485 2.8560 3.8234 3.8277 7.0302 7.0336 8.3680 8.4326 8.8977 8.9802 9.2134 9.2448 k = 0.1198 0.3481-0.0000 ( 4365 PWs) bands (ev): -10.1136 -10.1125 -10.0259 -10.0233 -9.5599 -9.5580 -9.5538 -9.5534 -9.5430 -9.5425 -9.4104 -9.4036 -8.7137 -8.7108 -8.7080 -8.7078 -8.7057 -8.7030 -8.6744 -8.6713 -8.6666 -8.6641 -8.5803 -8.5776 -0.0331 -0.0315 0.3670 0.3735 0.9016 0.9021 1.3968 1.4127 1.9617 1.9701 2.0670 2.0730 2.9038 2.9109 3.8570 3.8615 6.9288 6.9323 8.3080 8.3790 8.7805 8.8671 9.1894 9.2242 k = 0.1265 0.3674-0.0000 ( 4363 PWs) bands (ev): -10.1072 -10.1061 -10.0230 -10.0203 -9.5597 -9.5580 -9.5537 -9.5532 -9.5419 -9.5411 -9.4132 -9.4062 -8.7133 -8.7106 -8.7077 -8.7076 -8.7052 -8.7027 -8.6744 -8.6711 -8.6668 -8.6641 -8.5832 -8.5801 -0.0813 -0.0797 0.3365 0.3425 0.9277 0.9282 1.4207 1.4362 1.9742 1.9824 2.0717 2.0773 2.9581 2.9648 3.8924 3.8972 6.8300 6.8335 8.2451 8.3229 8.6628 8.7546 9.1655 9.2031 k = 0.1332 0.3867-0.0000 ( 4379 PWs) bands (ev): -10.1008 -10.0996 -10.0200 -10.0173 -9.5596 -9.5580 -9.5537 -9.5532 -9.5407 -9.5397 -9.4161 -9.4090 -8.7131 -8.7105 -8.7077 -8.7075 -8.7047 -8.7026 -8.6743 -8.6710 -8.6669 -8.6641 -8.5861 -8.5828 -0.1288 -0.1274 0.3067 0.3124 0.9552 0.9557 1.4454 1.4604 1.9857 1.9937 2.0760 2.0812 3.0113 3.0176 3.9296 3.9345 6.7345 6.7381 8.1789 8.2638 8.5470 8.6445 9.1407 9.1806 k = 0.1398 0.4061-0.0000 ( 4383 PWs) bands (ev): -10.0943 -10.0931 -10.0171 -10.0144 -9.5594 -9.5580 -9.5537 -9.5531 -9.5393 -9.5382 -9.4191 -9.4119 -8.7129 -8.7104 -8.7077 -8.7072 -8.7042 -8.7024 -8.6742 -8.6707 -8.6670 -8.6640 -8.5891 -8.5854 -0.1755 -0.1742 0.2779 0.2832 0.9840 0.9845 1.4706 1.4852 1.9961 2.0039 2.0800 2.0849 3.0630 3.0689 3.9684 3.9735 6.6429 6.6464 8.1092 8.2006 8.4353 8.5383 9.1145 9.1564 k = 0.1465 0.4254-0.0000 ( 4383 PWs) bands (ev): -10.0878 -10.0866 -10.0143 -10.0115 -9.5592 -9.5579 -9.5537 -9.5530 -9.5379 -9.5365 -9.4222 -9.4149 -8.7125 -8.7103 -8.7077 -8.7070 -8.7035 -8.7022 -8.6739 -8.6705 -8.6671 -8.6638 -8.5921 -8.5882 -0.2211 -0.2199 0.2502 0.2551 1.0139 1.0144 1.4964 1.5106 2.0055 2.0130 2.0836 2.0882 3.1127 3.1182 4.0088 4.0139 6.5557 6.5593 8.0357 8.1315 8.3308 8.4372 9.0868 9.1301 k = 0.1531 0.4447-0.0000 ( 4387 PWs) bands (ev): -10.0813 -10.0802 -10.0115 -10.0087 -9.5589 -9.5578 -9.5537 -9.5530 -9.5363 -9.5348 -9.4255 -9.4182 -8.7122 -8.7103 -8.7077 -8.7068 -8.7029 -8.7019 -8.6736 -8.6703 -8.6671 -8.6636 -8.5952 -8.5910 -0.2655 -0.2644 0.2237 0.2283 1.0448 1.0452 1.5227 1.5364 2.0136 2.0207 2.0868 2.0912 3.1603 3.1653 4.0506 4.0558 6.4736 6.4772 7.9583 8.0539 8.2368 8.3422 9.0575 9.1017 k = 0.1598 0.4641-0.0000 ( 4387 PWs) bands (ev): -10.0749 -10.0738 -10.0088 -10.0060 -9.5587 -9.5578 -9.5536 -9.5529 -9.5347 -9.5330 -9.4288 -9.4215 -8.7119 -8.7105 -8.7076 -8.7067 -8.7023 -8.7017 -8.6732 -8.6701 -8.6670 -8.6632 -8.5983 -8.5938 -0.3086 -0.3075 0.1985 0.2029 1.0765 1.0769 1.5492 1.5624 2.0204 2.0271 2.0895 2.0938 3.2053 3.2099 4.0936 4.0989 6.3971 6.4008 7.8772 7.9666 8.1554 8.2539 9.0267 9.0710 k = 0.1665 0.4834-0.0000 ( 4383 PWs) bands (ev): -10.0686 -10.0675 -10.0062 -10.0035 -9.5585 -9.5577 -9.5536 -9.5528 -9.5329 -9.5311 -9.4322 -9.4250 -8.7117 -8.7106 -8.7074 -8.7066 -8.7018 -8.7014 -8.6728 -8.6698 -8.6669 -8.6627 -8.6015 -8.5966 -0.3501 -0.3492 0.1749 0.1789 1.1089 1.1093 1.5758 1.5887 2.0257 2.0319 2.0919 2.0961 3.2473 3.2514 4.1377 4.1430 6.3270 6.3307 7.7929 7.8718 8.0851 8.1725 8.9944 9.0379 k = 0.1731 0.5028-0.0000 ( 4387 PWs) bands (ev): -10.0625 -10.0614 -10.0037 -10.0010 -9.5582 -9.5577 -9.5536 -9.5528 -9.5310 -9.5291 -9.4358 -9.4286 -8.7114 -8.7110 -8.7072 -8.7065 -8.7013 -8.7012 -8.6724 -8.6697 -8.6666 -8.6622 -8.6046 -8.5995 -0.3900 -0.3892 0.1529 0.1566 1.1419 1.1422 1.6025 1.6150 2.0295 2.0352 2.0938 2.0981 3.2860 3.2896 4.1825 4.1878 6.2637 6.2676 7.7065 7.7736 8.0228 8.0977 8.9606 9.0025 k = 0.1798 0.5221-0.0000 ( 4377 PWs) bands (ev): -10.0565 -10.0555 -10.0014 -9.9988 -9.5580 -9.5576 -9.5536 -9.5527 -9.5290 -9.5270 -9.4393 -9.4323 -8.7113 -8.7111 -8.7069 -8.7065 -8.7009 -8.7008 -8.6719 -8.6696 -8.6662 -8.6614 -8.6077 -8.6023 -0.4282 -0.4275 0.1326 0.1361 1.1752 1.1755 1.6290 1.6411 2.0316 2.0367 2.0954 2.0998 3.3210 3.3241 4.2279 4.2331 6.2079 6.2119 7.6193 7.6750 7.9660 8.0290 8.9254 8.9648 k = 0.1864 0.5414-0.0000 ( 4369 PWs) bands (ev): -10.0508 -10.0498 -9.9993 -9.9968 -9.5577 -9.5575 -9.5535 -9.5526 -9.5268 -9.5248 -9.4429 -9.4361 -8.7116 -8.7108 -8.7066 -8.7066 -8.7006 -8.7004 -8.6715 -8.6695 -8.6656 -8.6605 -8.6108 -8.6051 -0.4646 -0.4640 0.1142 0.1173 1.2087 1.2090 1.6554 1.6671 2.0320 2.0366 2.0966 2.1012 3.3520 3.3545 4.2734 4.2785 6.1601 6.1642 7.5326 7.5785 7.9133 7.9659 8.8886 8.9248 k = 0.1931 0.5608-0.0000 ( 4365 PWs) bands (ev): -10.0453 -10.0443 -9.9974 -9.9949 -9.5575 -9.5574 -9.5536 -9.5525 -9.5246 -9.5226 -9.4466 -9.4400 -8.7120 -8.7104 -8.7067 -8.7062 -8.7003 -8.7000 -8.6712 -8.6694 -8.6648 -8.6594 -8.6139 -8.6079 -0.4991 -0.4986 0.0976 0.1005 1.2424 1.2425 1.6813 1.6927 2.0307 2.0347 2.0975 2.1023 3.3786 3.3805 4.3187 4.3236 6.1207 6.1250 7.4479 7.4853 7.8642 7.9077 8.8501 8.8825 k = 0.1997 0.5801-0.0000 ( 4371 PWs) bands (ev): -10.0401 -10.0392 -9.9957 -9.9934 -9.5573 -9.5573 -9.5536 -9.5525 -9.5223 -9.5203 -9.4504 -9.4440 -8.7124 -8.7102 -8.7069 -8.7059 -8.7001 -8.6998 -8.6711 -8.6696 -8.6639 -8.6583 -8.6169 -8.6108 -0.5316 -0.5312 0.0830 0.0856 1.2759 1.2760 1.7068 1.7178 2.0277 2.0311 2.0980 2.1031 3.4007 3.4020 4.3631 4.3679 6.0903 6.0948 7.3664 7.3966 7.8183 7.8542 8.8099 8.8382 k = 0.2064 0.5994-0.0000 ( 4365 PWs) bands (ev): -10.0352 -10.0343 -9.9943 -9.9920 -9.5572 -9.5570 -9.5537 -9.5524 -9.5199 -9.5179 -9.4541 -9.4480 -8.7128 -8.7099 -8.7071 -8.7054 -8.6998 -8.6996 -8.6710 -8.6697 -8.6626 -8.6570 -8.6198 -8.6135 -0.5622 -0.5618 0.0704 0.0728 1.3092 1.3092 1.7316 1.7423 2.0230 2.0258 2.0981 2.1034 3.4181 3.4189 4.4062 4.4107 6.0691 6.0737 7.2893 7.3135 7.7756 7.8049 8.7678 8.7918 k = 0.2131 0.6188-0.0000 ( 4365 PWs) bands (ev): -10.0306 -10.0298 -9.9931 -9.9909 -9.5572 -9.5568 -9.5537 -9.5523 -9.5174 -9.5156 -9.4578 -9.4521 -8.7132 -8.7096 -8.7073 -8.7050 -8.6995 -8.6994 -8.6710 -8.6698 -8.6613 -8.6557 -8.6226 -8.6163 -0.5906 -0.5904 0.0600 0.0621 1.3419 1.3420 1.7556 1.7661 2.0166 2.0190 2.0977 2.1034 3.4309 3.4311 4.4473 4.4515 6.0574 6.0621 7.2177 7.2367 7.7362 7.7598 8.7237 8.7437 k = 0.2197 0.6381-0.0000 ( 4361 PWs) bands (ev): -10.0264 -10.0256 -9.9922 -9.9901 -9.5571 -9.5566 -9.5537 -9.5522 -9.5148 -9.5133 -9.4615 -9.4562 -8.7136 -8.7093 -8.7076 -8.7046 -8.6993 -8.6993 -8.6710 -8.6699 -8.6599 -8.6544 -8.6253 -8.6189 -0.6170 -0.6169 0.0516 0.0536 1.3739 1.3742 1.7787 1.7890 2.0086 2.0106 2.0969 2.1028 3.4388 3.4391 4.4857 4.4895 6.0551 6.0600 7.1527 7.1672 7.7002 7.7188 8.6777 8.6938 k = 0.2264 0.6575-0.0000 ( 4365 PWs) bands (ev): -10.0226 -10.0219 -9.9916 -9.9896 -9.5571 -9.5565 -9.5538 -9.5521 -9.5123 -9.5110 -9.4651 -9.4602 -8.7139 -8.7090 -8.7079 -8.7042 -8.6993 -8.6991 -8.6711 -8.6702 -8.6584 -8.6530 -8.6279 -8.6215 -0.6412 -0.6412 0.0455 0.0472 1.4051 1.4055 1.8008 1.8109 1.9991 2.0008 2.0956 2.1019 3.4422 3.4430 4.5205 4.5239 6.0622 6.0672 7.0954 7.1060 7.6678 7.6818 8.6297 8.6425 k = 0.2330 0.6768-0.0000 ( 4363 PWs) bands (ev): -10.0192 -10.0186 -9.9912 -9.9894 -9.5570 -9.5563 -9.5538 -9.5520 -9.5097 -9.5088 -9.4685 -9.4642 -8.7143 -8.7087 -8.7082 -8.7038 -8.6993 -8.6989 -8.6712 -8.6704 -8.6567 -8.6516 -8.6302 -8.6241 -0.6634 -0.6634 0.0415 0.0430 1.4352 1.4359 1.8216 1.8317 1.9881 1.9897 2.0938 2.1004 3.4417 3.4430 4.5509 4.5539 6.0785 6.0836 7.0468 7.0538 7.6391 7.6489 8.5801 8.5898 k = 0.2397 0.6961-0.0000 ( 4367 PWs) bands (ev): -10.0163 -10.0157 -9.9911 -9.9894 -9.5570 -9.5561 -9.5539 -9.5519 -9.5071 -9.5067 -9.4718 -9.4682 -8.7146 -8.7087 -8.7083 -8.7033 -8.6993 -8.6988 -8.6714 -8.6708 -8.6551 -8.6504 -8.6322 -8.6265 -0.6835 -0.6833 0.0397 0.0411 1.4640 1.4650 1.8411 1.8512 1.9756 1.9773 2.0915 2.0985 3.4377 3.4395 4.5761 4.5786 6.1038 6.1089 7.0079 7.0115 7.6143 7.6201 8.5289 8.5362 k = 0.2463 0.7155-0.0000 ( 4365 PWs) bands (ev): -10.0139 -10.0133 -9.9913 -9.9897 -9.5570 -9.5560 -9.5539 -9.5518 -9.5049 -9.5046 -9.4747 -9.4719 -8.7148 -8.7090 -8.7081 -8.7029 -8.6995 -8.6986 -8.6716 -8.6711 -8.6533 -8.6492 -8.6338 -8.6288 -0.7015 -0.7012 0.0402 0.0413 1.4914 1.4927 1.8591 1.8695 1.9619 1.9638 2.0888 2.0963 3.4310 3.4331 4.5952 4.5972 6.1375 6.1427 6.9795 6.9799 7.5935 7.5955 8.4765 8.4817 k = 0.2530 0.7348-0.0000 ( 4361 PWs) bands (ev): -10.0120 -10.0113 -9.9917 -9.9902 -9.5569 -9.5559 -9.5540 -9.5516 -9.5035 -9.5023 -9.4771 -9.4754 -8.7151 -8.7093 -8.7079 -8.7025 -8.6995 -8.6985 -8.6718 -8.6716 -8.6515 -8.6485 -8.6348 -8.6309 -0.7173 -0.7169 0.0428 0.0438 1.5171 1.5188 1.8754 1.8864 1.9468 1.9493 2.0856 2.0937 3.4220 3.4245 4.6076 4.6090 6.1793 6.1844 6.9596 6.9625 7.5750 7.5770 8.4231 8.4266 k = 0.2597 0.7541-0.0000 ( 4365 PWs) bands (ev): -10.0107 -10.0100 -9.9924 -9.9909 -9.5569 -9.5558 -9.5541 -9.5515 -9.5027 -9.5004 -9.4789 -9.4784 -8.7153 -8.7097 -8.7076 -8.7021 -8.6997 -8.6985 -8.6721 -8.6721 -8.6498 -8.6482 -8.6352 -8.6329 -0.7310 -0.7305 0.0476 0.0484 1.5409 1.5431 1.8894 1.9017 1.9306 1.9345 2.0820 2.0908 3.4113 3.4141 4.6127 4.6135 6.2286 6.2336 6.9510 6.9573 7.5588 7.5648 8.3690 8.3712 k = 0.2663 0.7735-0.0000 ( 4363 PWs) bands (ev): -10.0099 -10.0092 -9.9932 -9.9917 -9.5569 -9.5557 -9.5541 -9.5513 -9.5027 -9.4991 -9.4806 -9.4798 -8.7154 -8.7100 -8.7072 -8.7016 -8.6998 -8.6984 -8.6727 -8.6725 -8.6485 -8.6481 -8.6348 -8.6346 -0.7426 -0.7421 0.0546 0.0552 1.5626 1.5655 1.8983 1.9130 1.9158 1.9222 2.0782 2.0878 3.3997 3.4027 4.6103 4.6105 6.2850 6.2898 6.9543 6.9641 7.5468 7.5573 8.3146 8.3157 k = 0.2730 0.7928-0.0000 ( 4369 PWs) bands (ev): -10.0099 -10.0091 -9.9941 -9.9926 -9.5569 -9.5556 -9.5542 -9.5511 -9.5036 -9.4990 -9.4816 -9.4798 -8.7156 -8.7103 -8.7070 -8.7013 -8.6999 -8.6985 -8.6734 -8.6730 -8.6492 -8.6468 -8.6358 -8.6337 -0.7523 -0.7516 0.0638 0.0642 1.5821 1.5858 1.8922 1.8949 1.9223 1.9279 2.0740 2.0847 3.3876 3.3908 4.5998 4.6002 6.3477 6.3524 6.9691 6.9831 7.5392 7.5546 8.2601 8.2604 k = 0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0106 -10.0096 -9.9951 -9.9936 -9.5569 -9.5555 -9.5543 -9.5510 -9.5051 -9.5001 -9.4813 -9.4790 -8.7156 -8.7107 -8.7067 -8.7010 -8.7000 -8.6985 -8.6742 -8.6734 -8.6501 -8.6461 -8.6363 -8.6323 -0.7599 -0.7591 0.0750 0.0752 1.5992 1.6039 1.8756 1.8763 1.9297 1.9385 2.0697 2.0815 3.3757 3.3789 4.5818 4.5827 6.4164 6.4208 6.9951 7.0137 7.5359 7.5569 8.2057 8.2059 k = 0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0106 -10.0096 -9.9951 -9.9936 -9.5569 -9.5555 -9.5543 -9.5510 -9.5051 -9.5001 -9.4813 -9.4790 -8.7156 -8.7107 -8.7067 -8.7010 -8.7000 -8.6985 -8.6742 -8.6734 -8.6501 -8.6461 -8.6363 -8.6323 -0.7599 -0.7591 0.0750 0.0752 1.5992 1.6039 1.8756 1.8763 1.9297 1.9385 2.0697 2.0815 3.3757 3.3789 4.5818 4.5827 6.4164 6.4208 6.9951 7.0137 7.5359 7.5569 8.2057 8.2059 k = 0.2597 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0103 -10.0094 -9.9948 -9.9933 -9.5569 -9.5555 -9.5543 -9.5510 -9.5045 -9.4996 -9.4815 -9.4793 -8.7156 -8.7106 -8.7068 -8.7011 -8.7001 -8.6984 -8.6740 -8.6733 -8.6498 -8.6461 -8.6363 -8.6328 -0.7572 -0.7564 0.0705 0.0709 1.5955 1.6000 1.8796 1.8826 1.9275 1.9362 2.0694 2.0809 3.3796 3.3828 4.5870 4.5878 6.3956 6.4001 6.9861 7.0031 7.5369 7.5560 8.2215 8.2223 k = 0.2397 0.8122-0.0000 ( 4364 PWs) bands (ev): -10.0102 -10.0093 -9.9945 -9.9930 -9.5569 -9.5555 -9.5542 -9.5511 -9.5038 -9.4990 -9.4817 -9.4797 -8.7155 -8.7105 -8.7069 -8.7011 -8.7002 -8.6981 -8.6738 -8.6731 -8.6495 -8.6460 -8.6362 -8.6333 -0.7533 -0.7526 0.0651 0.0655 1.5947 1.5989 1.8815 1.8879 1.9257 1.9357 2.0659 2.0773 3.3838 3.3869 4.5892 4.5898 6.3789 6.3833 6.9791 6.9945 7.5392 7.5564 8.2348 8.2361 k = 0.2197 0.8122-0.0000 ( 4361 PWs) bands (ev): -10.0101 -10.0092 -9.9943 -9.9928 -9.5569 -9.5556 -9.5542 -9.5513 -9.5031 -9.4984 -9.4819 -9.4800 -8.7153 -8.7104 -8.7071 -8.7014 -8.7003 -8.6979 -8.6736 -8.6730 -8.6493 -8.6457 -8.6361 -8.6339 -0.7484 -0.7477 0.0586 0.0591 1.5968 1.6008 1.8817 1.8916 1.9247 1.9369 2.0593 2.0708 3.3881 3.3912 4.5885 4.5891 6.3660 6.3703 6.9737 6.9876 7.5425 7.5579 8.2454 8.2472 k = 0.1997 0.8122-0.0000 ( 4359 PWs) bands (ev): -10.0101 -10.0092 -9.9941 -9.9927 -9.5569 -9.5556 -9.5541 -9.5514 -9.5023 -9.4978 -9.4821 -9.4804 -8.7151 -8.7104 -8.7072 -8.7018 -8.7002 -8.6977 -8.6735 -8.6728 -8.6491 -8.6453 -8.6361 -8.6344 -0.7427 -0.7420 0.0514 0.0519 1.6018 1.6057 1.8807 1.8934 1.9247 1.9392 2.0499 2.0618 3.3926 3.3955 4.5855 4.5859 6.3569 6.3610 6.9700 6.9824 7.5466 7.5604 8.2533 8.2555 k = 0.1798 0.8122-0.0000 ( 4359 PWs) bands (ev): -10.0101 -10.0093 -9.9940 -9.9926 -9.5569 -9.5556 -9.5541 -9.5516 -9.5014 -9.4970 -9.4824 -9.4808 -8.7149 -8.7104 -8.7074 -8.7023 -8.6999 -8.6974 -8.6735 -8.6728 -8.6488 -8.6447 -8.6361 -8.6350 -0.7364 -0.7358 0.0434 0.0440 1.6095 1.6135 1.8787 1.8937 1.9254 1.9420 2.0381 2.0505 3.3970 3.3997 4.5805 4.5809 6.3510 6.3549 6.9678 6.9786 7.5514 7.5635 8.2586 8.2611 k = 0.1598 0.8122-0.0000 ( 4362 PWs) bands (ev): -10.0101 -10.0093 -9.9938 -9.9926 -9.5568 -9.5557 -9.5540 -9.5518 -9.5004 -9.4962 -9.4828 -9.4813 -8.7146 -8.7105 -8.7076 -8.7029 -8.6997 -8.6973 -8.6735 -8.6727 -8.6484 -8.6441 -8.6362 -8.6355 -0.7297 -0.7291 0.0351 0.0356 1.6199 1.6239 1.8761 1.8930 1.9260 1.9449 2.0244 2.0376 3.4012 3.4037 4.5742 4.5745 6.3478 6.3514 6.9667 6.9761 7.5566 7.5671 8.2617 8.2644 k = 0.1398 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0102 -10.0094 -9.9938 -9.9926 -9.5568 -9.5558 -9.5540 -9.5520 -9.4994 -9.4954 -9.4833 -9.4818 -8.7143 -8.7105 -8.7077 -8.7035 -8.6994 -8.6972 -8.6735 -8.6728 -8.6479 -8.6435 -8.6366 -8.6358 -0.7229 -0.7224 0.0266 0.0271 1.6326 1.6368 1.8731 1.8919 1.9256 1.9473 2.0095 2.0237 3.4052 3.4074 4.5671 4.5674 6.3469 6.3502 6.9665 6.9746 7.5620 7.5709 8.2629 8.2656 k = 0.1198 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0102 -10.0095 -9.9937 -9.9927 -9.5568 -9.5558 -9.5539 -9.5522 -9.4983 -9.4945 -9.4839 -9.4823 -8.7139 -8.7106 -8.7078 -8.7041 -8.6991 -8.6971 -8.6734 -8.6728 -8.6473 -8.6428 -8.6372 -8.6361 -0.7163 -0.7158 0.0184 0.0188 1.6473 1.6516 1.8698 1.8907 1.9233 1.9485 1.9945 2.0100 3.4089 3.4108 4.5597 4.5600 6.3476 6.3505 6.9671 6.9739 7.5672 7.5748 8.2628 8.2654 k = 0.0999 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0103 -10.0097 -9.9937 -9.9928 -9.5568 -9.5559 -9.5538 -9.5524 -9.4972 -9.4935 -9.4846 -9.4829 -8.7136 -8.7107 -8.7079 -8.7048 -8.6988 -8.6971 -8.6734 -8.6729 -8.6466 -8.6422 -8.6379 -8.6363 -0.7100 -0.7096 0.0106 0.0110 1.6635 1.6680 1.8662 1.8897 1.9179 1.9469 1.9816 1.9978 3.4121 3.4138 4.5525 4.5528 6.3494 6.3518 6.9681 6.9737 7.5722 7.5784 8.2617 8.2642 k = 0.0799 0.8122-0.0000 ( 4363 PWs) bands (ev): -10.0103 -10.0098 -9.9936 -9.9929 -9.5567 -9.5560 -9.5537 -9.5526 -9.4960 -9.4926 -9.4854 -9.4836 -8.7132 -8.7109 -8.7078 -8.7053 -8.6985 -8.6971 -8.6734 -8.6729 -8.6459 -8.6416 -8.6385 -8.6366 -0.7045 -0.7041 0.0037 0.0040 1.6804 1.6851 1.8624 1.8889 1.9090 1.9402 1.9739 1.9882 3.4149 3.4163 4.5461 4.5463 6.3516 6.3536 6.9694 6.9738 7.5767 7.5816 8.2602 8.2623 k = 0.0599 0.8122-0.0000 ( 4362 PWs) bands (ev): -10.0103 -10.0099 -9.9936 -9.9930 -9.5566 -9.5561 -9.5536 -9.5528 -9.4948 -9.4918 -9.4861 -9.4843 -8.7128 -8.7110 -8.7078 -8.7058 -8.6983 -8.6971 -8.6734 -8.6730 -8.6451 -8.6412 -8.6390 -8.6369 -0.6998 -0.6995 -0.0021 -0.0018 1.6973 1.7018 1.8584 1.8867 1.8988 1.9293 1.9714 1.9818 3.4171 3.4182 4.5406 4.5408 6.3540 6.3555 6.9708 6.9740 7.5806 7.5842 8.2586 8.2604 k = 0.0399 0.8122-0.0000 ( 4366 PWs) bands (ev): -10.0102 -10.0100 -9.9935 -9.9931 -9.5566 -9.5562 -9.5535 -9.5530 -9.4937 -9.4913 -9.4866 -9.4850 -8.7124 -8.7112 -8.7076 -8.7063 -8.6980 -8.6973 -8.6734 -8.6731 -8.6443 -8.6413 -8.6391 -8.6374 -0.6963 -0.6961 -0.0064 -0.0062 1.7125 1.7165 1.8549 1.8776 1.8951 1.9179 1.9714 1.9778 3.4188 3.4195 4.5365 4.5366 6.3560 6.3570 6.9720 6.9741 7.5836 7.5859 8.2573 8.2586 k = 0.0200 0.8122-0.0000 ( 4364 PWs) bands (ev): -10.0102 -10.0100 -9.9934 -9.9932 -9.5565 -9.5563 -9.5534 -9.5531 -9.4926 -9.4912 -9.4867 -9.4858 -8.7121 -8.7115 -8.7074 -8.7068 -8.6978 -8.6974 -8.6733 -8.6732 -8.6434 -8.6418 -8.6388 -8.6378 -0.6941 -0.6940 -0.0091 -0.0090 1.7241 1.7266 1.8536 1.8655 1.8969 1.9083 1.9722 1.9752 3.4199 3.4203 4.5340 4.5341 6.3575 6.3580 6.9730 6.9740 7.5856 7.5868 8.2566 8.2572 k = 0.0000 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0101 -10.0101 -9.9933 -9.9933 -9.5564 -9.5564 -9.5533 -9.5533 -9.4918 -9.4918 -9.4864 -9.4864 -8.7118 -8.7118 -8.7072 -8.7072 -8.6976 -8.6976 -8.6732 -8.6732 -8.6426 -8.6426 -8.6383 -8.6383 -0.6933 -0.6933 -0.0099 -0.0099 1.7294 1.7294 1.8568 1.8568 1.9013 1.9013 1.9735 1.9735 3.4204 3.4204 4.5332 4.5332 6.3581 6.3581 6.9736 6.9736 7.5867 7.5867 8.2566 8.2566 k = 0.0000 0.8122-0.0000 ( 4368 PWs) bands (ev): -10.0101 -10.0101 -9.9933 -9.9933 -9.5564 -9.5564 -9.5533 -9.5533 -9.4918 -9.4918 -9.4864 -9.4864 -8.7118 -8.7118 -8.7072 -8.7072 -8.6976 -8.6976 -8.6732 -8.6732 -8.6426 -8.6426 -8.6383 -8.6383 -0.6933 -0.6933 -0.0099 -0.0099 1.7294 1.7294 1.8568 1.8568 1.9013 1.9013 1.9735 1.9735 3.4204 3.4204 4.5332 4.5332 6.3581 6.3581 6.9736 6.9736 7.5867 7.5867 8.2566 8.2566 k = 0.0000 0.8122 0.0204 ( 4368 PWs) bands (ev): -10.0104 -10.0103 -9.9936 -9.9935 -9.5565 -9.5562 -9.5533 -9.5532 -9.4920 -9.4913 -9.4868 -9.4856 -8.7121 -8.7118 -8.7073 -8.7065 -8.6977 -8.6973 -8.6733 -8.6731 -8.6431 -8.6429 -8.6378 -8.6378 -0.6921 -0.6921 -0.0090 -0.0089 1.7246 1.7257 1.8538 1.8574 1.8976 1.9024 1.9748 1.9764 3.4196 3.4197 4.5268 4.5269 6.3615 6.3617 6.9764 6.9774 7.5917 7.5921 8.2503 8.2504 k = 0.0000 0.8122 0.0409 ( 4368 PWs) bands (ev): -10.0111 -10.0109 -9.9942 -9.9941 -9.5566 -9.5560 -9.5532 -9.5531 -9.4920 -9.4906 -9.4866 -9.4844 -8.7127 -8.7122 -8.7068 -8.7055 -8.6976 -8.6967 -8.6734 -8.6730 -8.6441 -8.6437 -8.6366 -8.6365 -0.6886 -0.6885 -0.0060 -0.0058 1.7118 1.7137 1.8483 1.8541 1.8931 1.9008 1.9802 1.9827 3.4173 3.4175 4.5080 4.5083 6.3717 6.3721 6.9856 6.9875 7.6069 7.6076 8.2326 8.2327 k = 0.0000 0.8122 0.0613 ( 4376 PWs) bands (ev): -10.0122 -10.0120 -9.9952 -9.9951 -9.5566 -9.5559 -9.5530 -9.5529 -9.4917 -9.4900 -9.4859 -9.4829 -8.7132 -8.7128 -8.7062 -8.7044 -8.6972 -8.6959 -8.6735 -8.6728 -8.6451 -8.6447 -8.6350 -8.6350 -0.6826 -0.6824 -0.0009 -0.0007 1.6924 1.6949 1.8393 1.8451 1.8896 1.8977 1.9884 1.9911 3.4135 3.4138 4.4774 4.4779 6.3886 6.3893 7.0010 7.0039 7.6314 7.6325 8.2058 8.2058 k = 0.0000 0.8122 0.0817 ( 4376 PWs) bands (ev): -10.0137 -10.0134 -9.9966 -9.9964 -9.5565 -9.5557 -9.5527 -9.5527 -9.4911 -9.4894 -9.4845 -9.4811 -8.7137 -8.7133 -8.7054 -8.7034 -8.6964 -8.6949 -8.6736 -8.6726 -8.6461 -8.6455 -8.6333 -8.6332 -0.6743 -0.6740 0.0061 0.0065 1.6677 1.6705 1.8259 1.8303 1.8873 1.8943 1.9980 2.0005 3.4081 3.4085 4.4359 4.4365 6.4122 6.4131 7.0222 7.0261 7.6642 7.6658 8.1728 8.1729 k = 0.0000 0.8122 0.1022 ( 4370 PWs) bands (ev): -10.0156 -10.0152 -9.9984 -9.9981 -9.5563 -9.5555 -9.5524 -9.5521 -9.4902 -9.4887 -9.4827 -9.4790 -8.7140 -8.7137 -8.7046 -8.7026 -8.6951 -8.6935 -8.6736 -8.6724 -8.6469 -8.6461 -8.6314 -8.6313 -0.6635 -0.6632 0.0151 0.0156 1.6388 1.6418 1.8080 1.8109 1.8853 1.8908 2.0079 2.0101 3.4010 3.4015 4.3847 4.3854 6.4422 6.4433 7.0490 7.0539 7.7037 7.7058 8.1369 8.1370 k = 0.0000 0.8122 0.1226 ( 4368 PWs) bands (ev): -10.0178 -10.0174 -10.0005 -10.0002 -9.5561 -9.5554 -9.5520 -9.5514 -9.4891 -9.4878 -9.4804 -9.4766 -8.7142 -8.7140 -8.7039 -8.7020 -8.6936 -8.6920 -8.6737 -8.6722 -8.6475 -8.6465 -8.6295 -8.6293 -0.6504 -0.6500 0.0261 0.0267 1.6066 1.6098 1.7861 1.7876 1.8827 1.8870 2.0174 2.0192 3.3922 3.3929 4.3250 4.3259 6.4784 6.4797 7.0807 7.0868 7.7476 7.7504 8.1012 8.1013 k = 0.0000 0.8122 0.1430 ( 4368 PWs) bands (ev): -10.0204 -10.0198 -10.0030 -10.0026 -9.5558 -9.5553 -9.5516 -9.5507 -9.4877 -9.4868 -9.4778 -9.4740 -8.7143 -8.7142 -8.7032 -8.7015 -8.6918 -8.6904 -8.6738 -8.6720 -8.6478 -8.6467 -8.6275 -8.6273 -0.6349 -0.6345 0.0391 0.0398 1.5718 1.5750 1.7606 1.7611 1.8792 1.8828 2.0259 2.0273 3.3817 3.3825 4.2581 4.2592 6.5204 6.5219 7.1167 7.1241 7.7926 7.7966 8.0691 8.0694 k = 0.0000 0.8122 0.1635 ( 4366 PWs) bands (ev): -10.0232 -10.0226 -10.0058 -10.0054 -9.5556 -9.5552 -9.5512 -9.5499 -9.4860 -9.4855 -9.4750 -9.4711 -8.7143 -8.7142 -8.7026 -8.7010 -8.6899 -8.6886 -8.6739 -8.6718 -8.6478 -8.6465 -8.6254 -8.6251 -0.6171 -0.6166 0.0541 0.0549 1.5348 1.5381 1.7319 1.7321 1.8747 1.8779 2.0331 2.0341 3.3694 3.3703 4.1854 4.1867 6.5678 6.5695 7.1564 7.1651 7.8335 7.8393 8.0457 8.0469 k = 0.0000 0.8122 0.1839 ( 4360 PWs) bands (ev): -10.0262 -10.0256 -10.0088 -10.0084 -9.5553 -9.5550 -9.5507 -9.5490 -9.4841 -9.4839 -9.4720 -9.4681 -8.7142 -8.7140 -8.7021 -8.7006 -8.6879 -8.6869 -8.6740 -8.6715 -8.6474 -8.6460 -8.6232 -8.6228 -0.5970 -0.5964 0.0709 0.0719 1.4960 1.4994 1.7004 1.7012 1.8692 1.8720 2.0386 2.0393 3.3553 3.3563 4.1082 4.1097 6.6202 6.6222 7.1988 7.2090 7.8615 7.8697 8.0398 8.0422 k = 0.0000 0.8122 0.2043 ( 4358 PWs) bands (ev): -10.0295 -10.0288 -10.0122 -10.0116 -9.5550 -9.5549 -9.5501 -9.5482 -9.4822 -9.4820 -9.4688 -9.4649 -8.7140 -8.7137 -8.7015 -8.7002 -8.6861 -8.6854 -8.6740 -8.6713 -8.6466 -8.6452 -8.6209 -8.6205 -0.5746 -0.5739 0.0897 0.0908 1.4559 1.4594 1.6670 1.6682 1.8625 1.8652 2.0423 2.0426 3.3394 3.3405 4.0277 4.0294 6.6773 6.6795 7.2428 7.2547 7.8701 7.8803 8.0585 8.0615 k = 0.0000 0.8122 0.2248 ( 4356 PWs) bands (ev): -10.0329 -10.0322 -10.0157 -10.0151 -9.5548 -9.5547 -9.5496 -9.5474 -9.4802 -9.4797 -9.4655 -9.4616 -8.7138 -8.7133 -8.7010 -8.6998 -8.6845 -8.6840 -8.6740 -8.6711 -8.6453 -8.6439 -8.6186 -8.6182 -0.5499 -0.5492 0.1103 0.1116 1.4148 1.4183 1.6320 1.6336 1.8545 1.8572 2.0438 2.0439 3.3218 3.3231 3.9451 3.9470 6.7385 6.7410 7.2872 7.3010 7.8657 7.8772 8.0957 8.0983 k = 0.0000 0.8122 0.2452 ( 4354 PWs) bands (ev): -10.0364 -10.0357 -10.0194 -10.0188 -9.5545 -9.5545 -9.5491 -9.5467 -9.4780 -9.4772 -9.4621 -9.4583 -8.7134 -8.7129 -8.7005 -8.6993 -8.6833 -8.6828 -8.6738 -8.6709 -8.6436 -8.6423 -8.6163 -8.6157 -0.5230 -0.5222 0.1328 0.1342 1.3728 1.3764 1.5960 1.5978 1.8452 1.8480 2.0427 2.0432 3.3028 3.3042 3.8614 3.8636 6.8033 6.8060 7.3304 7.3461 7.8590 7.8716 8.1401 8.1422 k = 0.0000 0.8122 0.2656 ( 4354 PWs) bands (ev): -10.0400 -10.0392 -10.0233 -10.0226 -9.5543 -9.5543 -9.5485 -9.5460 -9.4756 -9.4745 -9.4587 -9.4549 -8.7131 -8.7124 -8.7000 -8.6989 -8.6824 -8.6820 -8.6735 -8.6707 -8.6414 -8.6402 -8.6139 -8.6132 -0.4938 -0.4930 0.1570 0.1586 1.3304 1.3341 1.5591 1.5612 1.8345 1.8374 2.0390 2.0400 3.2823 3.2839 3.7777 3.7801 6.8712 6.8743 7.3706 7.3884 7.8565 7.8705 8.1851 8.1867 k = 0.0000 0.8122 0.2861 ( 4352 PWs) bands (ev): -10.0437 -10.0429 -10.0272 -10.0265 -9.5541 -9.5540 -9.5480 -9.5454 -9.4730 -9.4717 -9.4553 -9.4515 -8.7127 -8.7119 -8.6995 -8.6984 -8.6819 -8.6813 -8.6729 -8.6704 -8.6388 -8.6378 -8.6115 -8.6107 -0.4626 -0.4616 0.1829 0.1848 1.2877 1.2915 1.5220 1.5241 1.8222 1.8254 2.0326 2.0340 3.2606 3.2624 3.6948 3.6975 6.9417 6.9451 7.4063 7.4258 7.8622 7.8773 8.2273 8.2285 k = 0.0000 0.8122 0.3065 ( 4364 PWs) bands (ev): -10.0474 -10.0465 -10.0313 -10.0306 -9.5539 -9.5538 -9.5476 -9.5449 -9.4703 -9.4688 -9.4519 -9.4482 -8.7123 -8.7115 -8.6990 -8.6979 -8.6817 -8.6809 -8.6723 -8.6702 -8.6359 -8.6352 -8.6091 -8.6082 -0.4292 -0.4281 0.2105 0.2126 1.2450 1.2489 1.4847 1.4870 1.8084 1.8117 2.0232 2.0250 3.2380 3.2400 3.6137 3.6167 7.0141 7.0179 7.4363 7.4569 7.8778 7.8937 8.2649 8.2657 k = 0.0000 0.8122 0.3269 ( 4358 PWs) bands (ev): -10.0510 -10.0501 -10.0354 -10.0346 -9.5536 -9.5535 -9.5472 -9.5444 -9.4674 -9.4657 -9.4486 -9.4449 -8.7118 -8.7110 -8.6985 -8.6974 -8.6816 -8.6806 -8.6716 -8.6699 -8.6326 -8.6321 -8.6066 -8.6057 -0.3938 -0.3926 0.2397 0.2421 1.2024 1.2065 1.4478 1.4502 1.7929 1.7964 2.0105 2.0128 3.2147 3.2168 3.5353 3.5386 7.0879 7.0921 7.4604 7.4815 7.9036 7.9195 8.2969 8.2972 k = 0.0000 0.8122 0.3474 ( 4350 PWs) bands (ev): -10.0546 -10.0537 -10.0395 -10.0387 -9.5532 -9.5532 -9.5468 -9.5440 -9.4644 -9.4626 -9.4454 -9.4418 -8.7113 -8.7104 -8.6981 -8.6969 -8.6816 -8.6804 -8.6709 -8.6696 -8.6292 -8.6289 -8.6041 -8.6031 -0.3563 -0.3550 0.2704 0.2731 1.1602 1.1645 1.4114 1.4140 1.7756 1.7794 1.9943 1.9971 3.1909 3.1932 3.4602 3.4639 7.1624 7.1671 7.4798 7.5005 7.9381 7.9534 8.3224 8.3225 k = 0.0000 0.8122 0.3678 ( 4348 PWs) bands (ev): -10.0581 -10.0572 -10.0436 -10.0427 -9.5529 -9.5529 -9.5465 -9.5437 -9.4614 -9.4594 -9.4424 -9.4387 -8.7108 -8.7099 -8.6977 -8.6965 -8.6817 -8.6803 -8.6702 -8.6693 -8.6255 -8.6255 -8.6017 -8.6006 -0.3170 -0.3156 0.3025 0.3055 1.1184 1.1230 1.3758 1.3785 1.7565 1.7606 1.9744 1.9776 3.1670 3.1695 3.3893 3.3934 7.2366 7.2420 7.4961 7.5161 7.9789 7.9932 8.3411 8.3417 k = 0.0000 0.8122 0.3882 ( 4346 PWs) bands (ev): -10.0615 -10.0605 -10.0476 -10.0467 -9.5526 -9.5525 -9.5462 -9.5434 -9.4583 -9.4562 -9.4395 -9.4359 -8.7103 -8.7094 -8.6974 -8.6962 -8.6816 -8.6802 -8.6697 -8.6690 -8.6220 -8.6218 -8.5993 -8.5981 -0.2759 -0.2743 0.3358 0.3393 1.0773 1.0822 1.3414 1.3441 1.7356 1.7400 1.9506 1.9544 3.1432 3.1458 3.3232 3.3276 7.3093 7.3156 7.5117 7.5305 8.0233 8.0363 8.3534 8.3547 k = 0.0000 0.8122 0.4086 ( 4340 PWs) bands (ev): -10.0647 -10.0638 -10.0515 -10.0506 -9.5522 -9.5521 -9.5460 -9.5432 -9.4552 -9.4530 -9.4367 -9.4332 -8.7098 -8.7090 -8.6972 -8.6960 -8.6814 -8.6800 -8.6692 -8.6688 -8.6184 -8.6181 -8.5970 -8.5957 -0.2330 -0.2313 0.3702 0.3743 1.0370 1.0423 1.3082 1.3111 1.7129 1.7177 1.9230 1.9272 3.1197 3.1226 3.2623 3.2670 7.3786 7.3862 7.5293 7.5467 8.0685 8.0803 8.3598 8.3619 k = 0.0000 0.8122 0.4291 ( 4344 PWs) bands (ev): -10.0678 -10.0668 -10.0554 -10.0545 -9.5519 -9.5517 -9.5458 -9.5431 -9.4522 -9.4498 -9.4342 -9.4307 -8.7094 -8.7085 -8.6971 -8.6959 -8.6811 -8.6797 -8.6688 -8.6686 -8.6149 -8.6144 -8.5947 -8.5934 -0.1886 -0.1867 0.4056 0.4103 0.9975 1.0034 1.2766 1.2795 1.6886 1.6936 1.8916 1.8963 3.0969 3.0999 3.2070 3.2121 7.4402 7.4501 7.5535 7.5688 8.1122 8.1228 8.3615 8.3645 k = 0.0000 0.8122 0.4495 ( 4338 PWs) bands (ev): -10.0707 -10.0697 -10.0591 -10.0581 -9.5516 -9.5513 -9.5457 -9.5431 -9.4492 -9.4467 -9.4319 -9.4284 -8.7089 -8.7081 -8.6971 -8.6960 -8.6806 -8.6793 -8.6685 -8.6685 -8.6113 -8.6106 -8.5926 -8.5912 -0.1427 -0.1406 0.4415 0.4470 0.9591 0.9656 1.2465 1.2495 1.6627 1.6681 1.8567 1.8618 3.0749 3.0780 3.1576 3.1630 7.4877 7.5006 7.5907 7.6034 8.1519 8.1615 8.3599 8.3642 k = 0.0000 0.8122 0.4699 ( 4344 PWs) bands (ev): -10.0734 -10.0724 -10.0626 -10.0616 -9.5513 -9.5509 -9.5457 -9.5432 -9.4462 -9.4437 -9.4298 -9.4263 -8.7085 -8.7077 -8.6973 -8.6963 -8.6801 -8.6789 -8.6684 -8.6683 -8.6079 -8.6070 -8.5906 -8.5891 -0.0955 -0.0932 0.4776 0.4843 0.9218 0.9293 1.2181 1.2212 1.6354 1.6412 1.8186 1.8242 3.0538 3.0571 3.1142 3.1198 7.5202 7.5351 7.6414 7.6529 8.1850 8.1937 8.3574 8.3633 k = 0.0000 0.8122 0.4904 ( 4342 PWs) bands (ev): -10.0759 -10.0749 -10.0659 -10.0649 -9.5509 -9.5505 -9.5457 -9.5432 -9.4434 -9.4407 -9.4279 -9.4245 -8.7080 -8.7072 -8.6976 -8.6966 -8.6794 -8.6784 -8.6684 -8.6681 -8.6045 -8.6035 -8.5887 -8.5872 -0.0471 -0.0446 0.5132 0.5214 0.8860 0.8949 1.1915 1.1946 1.6072 1.6134 1.7780 1.7840 3.0339 3.0373 3.0765 3.0824 7.5451 7.5606 7.6976 7.7095 8.2086 8.2168 8.3573 8.3647 k = 0.0000 0.8122 0.5108 ( 4346 PWs) bands (ev): -10.0781 -10.0771 -10.0691 -10.0681 -9.5506 -9.5500 -9.5457 -9.5434 -9.4406 -9.4379 -9.4264 -9.4230 -8.7075 -8.7068 -8.6979 -8.6970 -8.6786 -8.6777 -8.6685 -8.6681 -8.6013 -8.6002 -8.5870 -8.5855 0.0021 0.0049 0.5473 0.5576 0.8523 0.8631 1.1665 1.1697 1.5785 1.5850 1.7357 1.7421 3.0152 3.0187 3.0446 3.0506 7.5678 7.5835 7.7523 7.7658 8.2209 8.2294 8.3622 8.3708 k = 0.0000 0.8122 0.5312 ( 4346 PWs) bands (ev): -10.0801 -10.0790 -10.0720 -10.0710 -9.5502 -9.5496 -9.5458 -9.5436 -9.4380 -9.4353 -9.4250 -9.4216 -8.7070 -8.7063 -8.6984 -8.6976 -8.6777 -8.6771 -8.6686 -8.6682 -8.5982 -8.5971 -8.5855 -8.5839 0.0521 0.0552 0.5779 0.5911 0.8221 0.8355 1.1431 1.1463 1.5497 1.5567 1.6925 1.6992 2.9977 3.0014 3.0180 3.0241 7.5907 7.6064 7.8015 7.8173 8.2237 8.2337 8.3715 8.3808 k = 0.0000 0.8122 0.5517 ( 4344 PWs) bands (ev): -10.0818 -10.0808 -10.0746 -10.0736 -9.5499 -9.5492 -9.5459 -9.5438 -9.4355 -9.4327 -9.4239 -9.4206 -8.7066 -8.7059 -8.6988 -8.6981 -8.6768 -8.6764 -8.6687 -8.6683 -8.5954 -8.5941 -8.5842 -8.5826 0.1026 0.1059 0.6013 0.6179 0.7987 0.8154 1.1209 1.1242 1.5218 1.5291 1.6494 1.6564 2.9814 2.9855 2.9965 3.0026 7.6146 7.6304 7.8420 7.8604 8.2226 8.2349 8.3821 8.3916 k = 0.0000 0.8122 0.5721 ( 4342 PWs) bands (ev): -10.0832 -10.0822 -10.0770 -10.0760 -9.5495 -9.5487 -9.5461 -9.5440 -9.4332 -9.4304 -9.4231 -9.4198 -8.7061 -8.7054 -8.6994 -8.6987 -8.6760 -8.6756 -8.6689 -8.6684 -8.5927 -8.5914 -8.5832 -8.5815 0.1531 0.1569 0.6121 0.6310 0.7890 0.8078 1.0995 1.1029 1.4955 1.5031 1.6073 1.6146 2.9669 2.9713 2.9793 2.9852 7.6398 7.6557 7.8708 7.8917 8.2238 8.2383 8.3908 8.4004 k = 0.0000 0.8122 0.5925 ( 4340 PWs) bands (ev): -10.0844 -10.0833 -10.0792 -10.0782 -9.5492 -9.5483 -9.5462 -9.5443 -9.4311 -9.4282 -9.4225 -9.4192 -8.7055 -8.7049 -8.6999 -8.6993 -8.6751 -8.6749 -8.6692 -8.6687 -8.5904 -8.5889 -8.5823 -8.5807 0.2036 0.2077 0.6064 0.6242 0.7982 0.8158 1.0783 1.0819 1.4720 1.4800 1.5675 1.5750 2.9545 2.9592 2.9655 2.9712 7.6664 7.6825 7.8860 7.9085 8.2316 8.2477 8.3956 8.4054 k = 0.0000 0.8122 0.6130 ( 4338 PWs) bands (ev): -10.0852 -10.0842 -10.0810 -10.0800 -9.5488 -9.5478 -9.5465 -9.5446 -9.4291 -9.4262 -9.4222 -9.4190 -8.7050 -8.7044 -8.7005 -8.6999 -8.6742 -8.6741 -8.6696 -8.6691 -8.5882 -8.5867 -8.5818 -8.5801 0.2535 0.2581 0.5864 0.6013 0.8222 0.8365 1.0566 1.0604 1.4525 1.4607 1.5308 1.5386 2.9447 2.9497 2.9544 2.9599 7.6942 7.7105 7.8877 7.9105 8.2476 8.2640 8.3956 8.4055 k = 0.0000 0.8122 0.6334 ( 4336 PWs) bands (ev): -10.0858 -10.0847 -10.0826 -10.0816 -9.5485 -9.5474 -9.5467 -9.5450 -9.4274 -9.4245 -9.4222 -9.4190 -8.7045 -8.7039 -8.7011 -8.7005 -8.6734 -8.6734 -8.6700 -8.6695 -8.5864 -8.5848 -8.5816 -8.5799 0.3026 0.3078 0.5572 0.5693 0.8531 0.8645 1.0335 1.0377 1.4382 1.4467 1.4985 1.5065 2.9376 2.9428 2.9455 2.9510 7.7230 7.7397 7.8781 7.9002 8.2699 8.2856 8.3902 8.4005 k = 0.0000 0.8122 0.6538 ( 4338 PWs) bands (ev): -10.0860 -10.0850 -10.0839 -10.0829 -9.5481 -9.5469 -9.5469 -9.5453 -9.4259 -9.4230 -9.4224 -9.4193 -8.7039 -8.7033 -8.7016 -8.7011 -8.6727 -8.6726 -8.6704 -8.6700 -8.5848 -8.5833 -8.5816 -8.5800 0.3505 0.3563 0.5222 0.5322 0.8863 0.8955 1.0086 1.0132 1.4303 1.4389 1.4713 1.4796 2.9332 2.9384 2.9388 2.9442 7.7523 7.7695 7.8602 7.8812 8.2953 8.3098 8.3796 8.3904 k = 0.0000 0.8122 0.6743 ( 4342 PWs) bands (ev): -10.0859 -10.0849 -10.0849 -10.0839 -9.5478 -9.5472 -9.5465 -9.5457 -9.4247 -9.4229 -9.4217 -9.4198 -8.7034 -8.7028 -8.7022 -8.7017 -8.6721 -8.6719 -8.6709 -8.6706 -8.5836 -8.5820 -8.5820 -8.5803 0.3969 0.4033 0.4832 0.4917 0.9195 0.9271 0.9812 0.9866 1.4296 1.4382 1.4504 1.4588 2.9312 2.9341 2.9365 2.9395 7.7816 7.7995 7.8368 7.8566 8.3207 8.3341 8.3641 8.3755 k = 0.0000 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0856 -10.0856 -10.0845 -10.0845 -9.5476 -9.5476 -9.5461 -9.5461 -9.4237 -9.4237 -9.4206 -9.4206 -8.7028 -8.7028 -8.7023 -8.7023 -8.6715 -8.6715 -8.6712 -8.6712 -8.5826 -8.5826 -8.5810 -8.5810 0.4412 0.4412 0.4486 0.4486 0.9514 0.9514 0.9577 0.9577 1.4363 1.4363 1.4448 1.4448 2.9315 2.9315 2.9369 2.9369 7.8101 7.8101 7.8289 7.8289 8.3441 8.3441 8.3564 8.3564 k = 0.0000 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0856 -10.0856 -10.0845 -10.0845 -9.5476 -9.5476 -9.5461 -9.5461 -9.4237 -9.4237 -9.4206 -9.4206 -8.7028 -8.7028 -8.7023 -8.7023 -8.6715 -8.6715 -8.6712 -8.6712 -8.5826 -8.5826 -8.5810 -8.5810 0.4412 0.4412 0.4486 0.4486 0.9514 0.9514 0.9577 0.9577 1.4363 1.4363 1.4448 1.4448 2.9315 2.9315 2.9369 2.9369 7.8101 7.8101 7.8289 7.8289 8.3441 8.3441 8.3564 8.3564 k = 0.0200 0.8122 0.6947 ( 4338 PWs) bands (ev): -10.0856 -10.0856 -10.0845 -10.0844 -9.5478 -9.5478 -9.5458 -9.5458 -9.4243 -9.4243 -9.4201 -9.4200 -8.7029 -8.7029 -8.7022 -8.7022 -8.6720 -8.6720 -8.6706 -8.6706 -8.5826 -8.5826 -8.5810 -8.5810 0.4418 0.4418 0.4492 0.4492 0.9462 0.9463 0.9544 0.9544 1.4384 1.4385 1.4504 1.4506 2.9315 2.9316 2.9379 2.9380 7.7930 7.7930 7.8351 7.8351 8.3366 8.3367 8.3752 8.3753 k = 0.0399 0.8122 0.6947 ( 4340 PWs) bands (ev): -10.0857 -10.0856 -10.0843 -10.0842 -9.5483 -9.5483 -9.5452 -9.5452 -9.4255 -9.4255 -9.4190 -9.4190 -8.7031 -8.7031 -8.7020 -8.7020 -8.6727 -8.6727 -8.6699 -8.6699 -8.5828 -8.5828 -8.5811 -8.5811 0.4434 0.4434 0.4511 0.4511 0.9324 0.9325 0.9439 0.9440 1.4465 1.4466 1.4649 1.4650 2.9320 2.9321 2.9408 2.9409 7.7615 7.7616 7.8349 7.8349 8.3374 8.3375 8.4073 8.4074 k = 0.0599 0.8122 0.6947 ( 4340 PWs) bands (ev): -10.0858 -10.0857 -10.0840 -10.0839 -9.5489 -9.5489 -9.5446 -9.5446 -9.4269 -9.4269 -9.4178 -9.4178 -8.7032 -8.7032 -8.7018 -8.7018 -8.6734 -8.6734 -8.6693 -8.6693 -8.5829 -8.5829 -8.5812 -8.5812 0.4460 0.4460 0.4541 0.4541 0.9121 0.9122 0.9267 0.9268 1.4607 1.4609 1.4852 1.4854 2.9334 2.9334 2.9451 2.9451 7.7241 7.7242 7.8231 7.8231 8.3504 8.3505 8.4452 8.4453 k = 0.0799 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0858 -10.0857 -10.0837 -10.0836 -9.5495 -9.5495 -9.5439 -9.5439 -9.4284 -9.4284 -9.4167 -9.4167 -8.7034 -8.7034 -8.7017 -8.7016 -8.6740 -8.6740 -8.6686 -8.6686 -8.5832 -8.5832 -8.5814 -8.5814 0.4495 0.4495 0.4582 0.4583 0.8872 0.8873 0.9042 0.9043 1.4797 1.4799 1.5096 1.5098 2.9358 2.9359 2.9506 2.9506 7.6836 7.6836 7.8016 7.8016 8.3734 8.3736 8.4863 8.4864 k = 0.0999 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0858 -10.0857 -10.0833 -10.0832 -9.5500 -9.5500 -9.5433 -9.5433 -9.4298 -9.4298 -9.4157 -9.4157 -8.7036 -8.7036 -8.7015 -8.7015 -8.6746 -8.6746 -8.6680 -8.6680 -8.5835 -8.5835 -8.5816 -8.5816 0.4537 0.4538 0.4633 0.4633 0.8594 0.8595 0.8780 0.8781 1.5019 1.5021 1.5363 1.5365 2.9394 2.9395 2.9572 2.9573 7.6417 7.6418 7.7733 7.7733 8.4032 8.4033 8.5286 8.5287 k = 0.1198 0.8122 0.6947 ( 4348 PWs) bands (ev): -10.0857 -10.0857 -10.0829 -10.0828 -9.5505 -9.5505 -9.5426 -9.5426 -9.4312 -9.4312 -9.4149 -9.4148 -8.7038 -8.7038 -8.7013 -8.7013 -8.6752 -8.6752 -8.6675 -8.6675 -8.5839 -8.5839 -8.5819 -8.5819 0.4585 0.4585 0.4689 0.4690 0.8302 0.8303 0.8498 0.8499 1.5259 1.5260 1.5640 1.5641 2.9443 2.9444 2.9650 2.9651 7.5999 7.5999 7.7411 7.7411 8.4366 8.4367 8.5705 8.5706 k = 0.1398 0.8122 0.6947 ( 4350 PWs) bands (ev): -10.0856 -10.0856 -10.0825 -10.0824 -9.5510 -9.5510 -9.5420 -9.5420 -9.4325 -9.4325 -9.4141 -9.4141 -8.7039 -8.7039 -8.7012 -8.7012 -8.6757 -8.6757 -8.6670 -8.6669 -8.5843 -8.5842 -8.5822 -8.5822 0.4634 0.4634 0.4749 0.4749 0.8009 0.8009 0.8211 0.8211 1.5503 1.5505 1.5915 1.5917 2.9504 2.9505 2.9739 2.9740 7.5591 7.5591 7.7071 7.7071 8.4711 8.4712 8.6107 8.6108 k = 0.1598 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0855 -10.0854 -10.0821 -10.0820 -9.5514 -9.5514 -9.5415 -9.5414 -9.4337 -9.4337 -9.4135 -9.4135 -8.7040 -8.7040 -8.7010 -8.7010 -8.6761 -8.6761 -8.6665 -8.6665 -8.5847 -8.5847 -8.5826 -8.5826 0.4679 0.4679 0.4805 0.4805 0.7726 0.7726 0.7932 0.7933 1.5743 1.5745 1.6182 1.6183 2.9578 2.9579 2.9838 2.9839 7.5202 7.5202 7.6729 7.6730 8.5049 8.5050 8.6482 8.6483 k = 0.1798 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0852 -10.0852 -10.0817 -10.0816 -9.5517 -9.5517 -9.5410 -9.5410 -9.4348 -9.4348 -9.4131 -9.4131 -8.7041 -8.7041 -8.7009 -8.7009 -8.6765 -8.6765 -8.6661 -8.6661 -8.5851 -8.5851 -8.5830 -8.5830 0.4712 0.4712 0.4851 0.4851 0.7466 0.7467 0.7676 0.7677 1.5971 1.5973 1.6431 1.6433 2.9664 2.9664 2.9947 2.9948 7.4837 7.4837 7.6399 7.6399 8.5364 8.5365 8.6820 8.6821 k = 0.1997 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0850 -10.0849 -10.0813 -10.0813 -9.5520 -9.5520 -9.5406 -9.5405 -9.4357 -9.4357 -9.4128 -9.4128 -8.7042 -8.7042 -8.7008 -8.7008 -8.6768 -8.6768 -8.6657 -8.6657 -8.5856 -8.5856 -8.5835 -8.5835 0.4724 0.4724 0.4875 0.4875 0.7245 0.7245 0.7458 0.7458 1.6182 1.6184 1.6660 1.6662 2.9760 2.9761 3.0064 3.0064 7.4503 7.4503 7.6088 7.6089 8.5645 8.5646 8.7114 8.7116 k = 0.2197 0.8122 0.6947 ( 4342 PWs) bands (ev): -10.0846 -10.0846 -10.0810 -10.0809 -9.5523 -9.5523 -9.5402 -9.5402 -9.4365 -9.4365 -9.4128 -9.4128 -8.7043 -8.7043 -8.7008 -8.7008 -8.6770 -8.6770 -8.6655 -8.6654 -8.5861 -8.5861 -8.5840 -8.5840 0.4704 0.4704 0.4865 0.4865 0.7077 0.7077 0.7292 0.7292 1.6371 1.6373 1.6864 1.6865 2.9867 2.9867 3.0187 3.0187 7.4204 7.4205 7.5805 7.5805 8.5884 8.5885 8.7359 8.7360 k = 0.2397 0.8122 0.6947 ( 4344 PWs) bands (ev): -10.0843 -10.0842 -10.0806 -10.0806 -9.5525 -9.5525 -9.5400 -9.5400 -9.4371 -9.4371 -9.4129 -9.4129 -8.7044 -8.7044 -8.7008 -8.7007 -8.6771 -8.6771 -8.6653 -8.6653 -8.5866 -8.5866 -8.5845 -8.5845 0.4643 0.4643 0.4809 0.4809 0.6975 0.6975 0.7190 0.7191 1.6537 1.6538 1.7040 1.7042 2.9980 2.9981 3.0313 3.0314 7.3945 7.3945 7.5555 7.5555 8.6073 8.6075 8.7550 8.7551 k = 0.2597 0.8122 0.6947 ( 4334 PWs) bands (ev): -10.0839 -10.0838 -10.0803 -10.0803 -9.5526 -9.5526 -9.5398 -9.5398 -9.4375 -9.4375 -9.4132 -9.4132 -8.7044 -8.7044 -8.7007 -8.7007 -8.6771 -8.6771 -8.6652 -8.6652 -8.5871 -8.5871 -8.5850 -8.5850 0.4539 0.4539 0.4703 0.4703 0.6945 0.6945 0.7158 0.7159 1.6676 1.6678 1.7188 1.7190 3.0098 3.0099 3.0441 3.0441 7.3729 7.3730 7.5342 7.5342 8.6210 8.6212 8.7683 8.7684 k = 0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0834 -10.0833 -10.0801 -10.0800 -9.5526 -9.5526 -9.5397 -9.5397 -9.4377 -9.4377 -9.4137 -9.4137 -8.7044 -8.7044 -8.7008 -8.7008 -8.6771 -8.6771 -8.6651 -8.6651 -8.5876 -8.5876 -8.5855 -8.5855 0.4396 0.4396 0.4553 0.4553 0.6981 0.6981 0.7192 0.7192 1.6790 1.6792 1.7307 1.7309 3.0217 3.0218 3.0566 3.0567 7.3560 7.3560 7.5171 7.5171 8.6293 8.6294 8.7759 8.7760 k = 0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0834 -10.0833 -10.0801 -10.0800 -9.5526 -9.5526 -9.5397 -9.5397 -9.4377 -9.4377 -9.4137 -9.4137 -8.7044 -8.7044 -8.7008 -8.7008 -8.6771 -8.6771 -8.6651 -8.6651 -8.5876 -8.5876 -8.5855 -8.5855 0.4396 0.4396 0.4553 0.4553 0.6981 0.6981 0.7192 0.7192 1.6790 1.6792 1.7307 1.7309 3.0217 3.0218 3.0566 3.0567 7.3560 7.3560 7.5171 7.5171 8.6293 8.6294 8.7759 8.7760 k = 0.2730 0.7928 0.6947 ( 4330 PWs) bands (ev): -10.0848 -10.0847 -10.0807 -10.0807 -9.5525 -9.5525 -9.5397 -9.5397 -9.4375 -9.4375 -9.4119 -9.4119 -8.7044 -8.7044 -8.7006 -8.7006 -8.6773 -8.6773 -8.6651 -8.6650 -8.5861 -8.5861 -8.5839 -8.5839 0.4851 0.4851 0.5041 0.5041 0.6822 0.6823 0.7040 0.7040 1.6480 1.6482 1.6982 1.6984 2.9856 2.9856 3.0191 3.0192 7.4015 7.4015 7.5638 7.5639 8.6122 8.6123 8.7610 8.7611 k = 0.2663 0.7735 0.6947 ( 4338 PWs) bands (ev): -10.0860 -10.0860 -10.0812 -10.0812 -9.5525 -9.5525 -9.5397 -9.5397 -9.4375 -9.4374 -9.4103 -9.4103 -8.7043 -8.7043 -8.7005 -8.7005 -8.6776 -8.6776 -8.6651 -8.6650 -8.5851 -8.5850 -8.5825 -8.5825 0.5160 0.5160 0.5383 0.5383 0.6822 0.6822 0.7036 0.7036 1.6187 1.6189 1.6669 1.6671 2.9518 2.9519 2.9839 2.9840 7.4467 7.4468 7.6101 7.6102 8.5955 8.5956 8.7461 8.7462 k = 0.2597 0.7541 0.6947 ( 4346 PWs) bands (ev): -10.0871 -10.0870 -10.0816 -10.0815 -9.5524 -9.5524 -9.5397 -9.5397 -9.4377 -9.4377 -9.4090 -9.4090 -8.7043 -8.7043 -8.7004 -8.7004 -8.6779 -8.6779 -8.6651 -8.6651 -8.5843 -8.5842 -8.5813 -8.5813 0.5259 0.5259 0.5486 0.5486 0.7062 0.7063 0.7239 0.7239 1.5919 1.5920 1.6375 1.6376 2.9207 2.9207 2.9511 2.9512 7.4915 7.4916 7.6558 7.6558 8.5793 8.5794 8.7311 8.7312 k = 0.2530 0.7348 0.6947 ( 4342 PWs) bands (ev): -10.0880 -10.0880 -10.0817 -10.0817 -9.5524 -9.5524 -9.5397 -9.5397 -9.4381 -9.4381 -9.4079 -9.4079 -8.7042 -8.7042 -8.7003 -8.7003 -8.6782 -8.6782 -8.6652 -8.6652 -8.5837 -8.5837 -8.5803 -8.5803 0.5187 0.5188 0.5400 0.5400 0.7480 0.7480 0.7608 0.7608 1.5684 1.5685 1.6107 1.6108 2.8922 2.8923 2.9208 2.9209 7.5357 7.5358 7.7005 7.7006 8.5636 8.5637 8.7164 8.7165 k = 0.2463 0.7155 0.6947 ( 4342 PWs) bands (ev): -10.0888 -10.0887 -10.0817 -10.0817 -9.5523 -9.5523 -9.5397 -9.5397 -9.4388 -9.4388 -9.4070 -9.4070 -8.7042 -8.7042 -8.7003 -8.7003 -8.6785 -8.6785 -8.6653 -8.6653 -8.5835 -8.5835 -8.5795 -8.5795 0.5025 0.5026 0.5226 0.5226 0.7963 0.7963 0.8054 0.8054 1.5491 1.5493 1.5873 1.5875 2.8666 2.8666 2.8933 2.8934 7.5792 7.5793 7.7442 7.7442 8.5487 8.5488 8.7019 8.7020 k = 0.2397 0.6961 0.6947 ( 4338 PWs) bands (ev): -10.0894 -10.0893 -10.0816 -10.0815 -9.5523 -9.5523 -9.5397 -9.5397 -9.4397 -9.4396 -9.4064 -9.4064 -8.7041 -8.7041 -8.7003 -8.7003 -8.6788 -8.6788 -8.6655 -8.6655 -8.5835 -8.5835 -8.5790 -8.5790 0.4821 0.4822 0.5012 0.5013 0.8448 0.8449 0.8522 0.8523 1.5352 1.5353 1.5682 1.5684 2.8440 2.8440 2.8686 2.8687 7.6217 7.6218 7.7866 7.7866 8.5346 8.5347 8.6879 8.6880 k = 0.2330 0.6768 0.6947 ( 4342 PWs) bands (ev): -10.0898 -10.0898 -10.0813 -10.0812 -9.5524 -9.5524 -9.5398 -9.5398 -9.4408 -9.4408 -9.4060 -9.4060 -8.7040 -8.7040 -8.7004 -8.7004 -8.6791 -8.6791 -8.6658 -8.6658 -8.5838 -8.5838 -8.5787 -8.5787 0.4593 0.4594 0.4776 0.4777 0.8902 0.8903 0.8988 0.8989 1.5275 1.5277 1.5544 1.5545 2.8246 2.8247 2.8470 2.8471 7.6631 7.6632 7.8274 7.8275 8.5215 8.5216 8.6744 8.6745 k = 0.2264 0.6575 0.6947 ( 4350 PWs) bands (ev): -10.0901 -10.0900 -10.0809 -10.0808 -9.5525 -9.5525 -9.5399 -9.5399 -9.4421 -9.4421 -9.4059 -9.4059 -8.7040 -8.7040 -8.7005 -8.7005 -8.6795 -8.6794 -8.6662 -8.6662 -8.5843 -8.5843 -8.5788 -8.5788 0.4350 0.4351 0.4526 0.4526 0.9309 0.9310 0.9433 0.9434 1.5268 1.5269 1.5467 1.5468 2.8086 2.8087 2.8287 2.8288 7.7032 7.7033 7.8665 7.8665 8.5095 8.5096 8.6616 8.6617 k = 0.2197 0.6381 0.6947 ( 4358 PWs) bands (ev): -10.0902 -10.0902 -10.0803 -10.0802 -9.5526 -9.5526 -9.5400 -9.5400 -9.4437 -9.4436 -9.4061 -9.4061 -8.7040 -8.7040 -8.7007 -8.7007 -8.6798 -8.6798 -8.6667 -8.6667 -8.5851 -8.5851 -8.5790 -8.5790 0.4095 0.4096 0.4261 0.4262 0.9665 0.9665 0.9841 0.9842 1.5332 1.5333 1.5460 1.5461 2.7964 2.7964 2.8140 2.8141 7.7418 7.7419 7.9034 7.9034 8.4988 8.4989 8.6495 8.6496 k = 0.2131 0.6188 0.6947 ( 4362 PWs) bands (ev): -10.0902 -10.0901 -10.0796 -10.0795 -9.5527 -9.5527 -9.5401 -9.5401 -9.4454 -9.4453 -9.4065 -9.4064 -8.7039 -8.7039 -8.7009 -8.7009 -8.6802 -8.6801 -8.6672 -8.6672 -8.5862 -8.5862 -8.5796 -8.5796 0.3827 0.3828 0.3984 0.3985 0.9968 0.9969 1.0202 1.0203 1.5450 1.5450 1.5542 1.5542 2.7881 2.7881 2.8031 2.8032 7.7786 7.7787 7.9378 7.9379 8.4895 8.4896 8.6382 8.6383 k = 0.2064 0.5994 0.6947 ( 4362 PWs) bands (ev): -10.0900 -10.0899 -10.0788 -10.0787 -9.5528 -9.5528 -9.5402 -9.5402 -9.4472 -9.4472 -9.4071 -9.4071 -8.7038 -8.7038 -8.7011 -8.7011 -8.6805 -8.6805 -8.6677 -8.6677 -8.5874 -8.5874 -8.5803 -8.5803 0.3547 0.3548 0.3695 0.3695 1.0226 1.0227 1.0517 1.0517 1.5594 1.5595 1.5727 1.5728 2.7840 2.7841 2.7965 2.7966 7.8134 7.8135 7.9694 7.9695 8.4819 8.4820 8.6279 8.6280 k = 0.1997 0.5801 0.6947 ( 4354 PWs) bands (ev): -10.0896 -10.0895 -10.0778 -10.0777 -9.5529 -9.5529 -9.5403 -9.5402 -9.4492 -9.4492 -9.4079 -9.4079 -8.7037 -8.7037 -8.7014 -8.7014 -8.6808 -8.6808 -8.6683 -8.6683 -8.5888 -8.5888 -8.5813 -8.5813 0.3256 0.3257 0.3393 0.3394 1.0445 1.0446 1.0787 1.0788 1.5776 1.5778 1.5982 1.5983 2.7845 2.7846 2.7946 2.7947 7.8459 7.8459 7.9978 7.9978 8.4762 8.4763 8.6186 8.6187 k = 0.1931 0.5608 0.6947 ( 4354 PWs) bands (ev): -10.0891 -10.0890 -10.0767 -10.0766 -9.5531 -9.5531 -9.5404 -9.5404 -9.4514 -9.4514 -9.4091 -9.4090 -8.7037 -8.7037 -8.7017 -8.7017 -8.6811 -8.6811 -8.6690 -8.6690 -8.5904 -8.5903 -8.5825 -8.5825 0.2954 0.2954 0.3079 0.3080 1.0639 1.0640 1.1023 1.1024 1.5996 1.5998 1.6277 1.6278 2.7898 2.7898 2.7978 2.7978 7.8757 7.8758 8.0223 8.0224 8.4726 8.4726 8.6105 8.6106 k = 0.1864 0.5414 0.6947 ( 4354 PWs) bands (ev): -10.0884 -10.0883 -10.0755 -10.0754 -9.5532 -9.5532 -9.5406 -9.5406 -9.4537 -9.4537 -9.4104 -9.4104 -8.7037 -8.7037 -8.7020 -8.7019 -8.6815 -8.6814 -8.6697 -8.6697 -8.5921 -8.5921 -8.5840 -8.5840 0.2641 0.2642 0.2755 0.2756 1.0818 1.0819 1.1235 1.1236 1.6243 1.6244 1.6591 1.6593 2.7998 2.7999 2.8065 2.8065 7.9025 7.9025 8.0427 8.0427 8.4713 8.4714 8.6037 8.6038 k = 0.1798 0.5221 0.6947 ( 4348 PWs) bands (ev): -10.0876 -10.0875 -10.0742 -10.0741 -9.5534 -9.5534 -9.5407 -9.5407 -9.4561 -9.4561 -9.4119 -9.4119 -8.7037 -8.7037 -8.7022 -8.7022 -8.6818 -8.6818 -8.6705 -8.6705 -8.5940 -8.5940 -8.5856 -8.5856 0.2320 0.2321 0.2423 0.2424 1.0991 1.0992 1.1432 1.1433 1.6501 1.6503 1.6910 1.6911 2.8147 2.8148 2.8213 2.8213 7.9258 7.9259 8.0583 8.0584 8.4725 8.4726 8.5985 8.5985 k = 0.1731 0.5028 0.6947 ( 4352 PWs) bands (ev): -10.0866 -10.0865 -10.0728 -10.0727 -9.5536 -9.5536 -9.5410 -9.5410 -9.4586 -9.4586 -9.4137 -9.4137 -8.7039 -8.7039 -8.7024 -8.7024 -8.6821 -8.6821 -8.6714 -8.6713 -8.5960 -8.5960 -8.5874 -8.5874 0.1992 0.1993 0.2084 0.2085 1.1164 1.1165 1.1623 1.1624 1.6759 1.6761 1.7219 1.7220 2.8346 2.8346 2.8422 2.8422 7.9452 7.9453 8.0688 8.0689 8.4764 8.4765 8.5949 8.5950 k = 0.1665 0.4834 0.6947 ( 4344 PWs) bands (ev): -10.0855 -10.0854 -10.0713 -10.0712 -9.5539 -9.5538 -9.5412 -9.5412 -9.4612 -9.4612 -9.4157 -9.4157 -8.7041 -8.7041 -8.7024 -8.7024 -8.6824 -8.6824 -8.6722 -8.6722 -8.5981 -8.5981 -8.5894 -8.5894 0.1658 0.1659 0.1741 0.1742 1.1343 1.1344 1.1813 1.1814 1.7009 1.7010 1.7511 1.7512 2.8597 2.8598 2.8688 2.8689 7.9601 7.9602 8.0739 8.0740 8.4829 8.4830 8.5933 8.5934 k = 0.1598 0.4641 0.6947 ( 4348 PWs) bands (ev): -10.0843 -10.0842 -10.0698 -10.0697 -9.5541 -9.5541 -9.5415 -9.5415 -9.4638 -9.4638 -9.4179 -9.4179 -8.7046 -8.7046 -8.7024 -8.7024 -8.6827 -8.6827 -8.6732 -8.6732 -8.6003 -8.6003 -8.5915 -8.5915 0.1322 0.1323 0.1395 0.1396 1.1528 1.1529 1.2005 1.2006 1.7243 1.7244 1.7780 1.7782 2.8900 2.8901 2.9008 2.9008 7.9701 7.9702 8.0734 8.0734 8.4920 8.4921 8.5940 8.5940 k = 0.1531 0.4447 0.6947 ( 4352 PWs) bands (ev): -10.0830 -10.0829 -10.0682 -10.0681 -9.5544 -9.5544 -9.5418 -9.5418 -9.4665 -9.4664 -9.4203 -9.4203 -8.7051 -8.7051 -8.7024 -8.7024 -8.6830 -8.6830 -8.6742 -8.6742 -8.6026 -8.6026 -8.5937 -8.5937 0.0985 0.0986 0.1050 0.1050 1.1720 1.1721 1.2202 1.2203 1.7460 1.7462 1.8025 1.8026 2.9254 2.9255 2.9376 2.9377 7.9747 7.9747 8.0672 8.0673 8.5033 8.5034 8.5970 8.5971 k = 0.1465 0.4254 0.6947 ( 4340 PWs) bands (ev): -10.0815 -10.0814 -10.0665 -10.0664 -9.5547 -9.5547 -9.5422 -9.5422 -9.4690 -9.4690 -9.4228 -9.4228 -8.7057 -8.7057 -8.7023 -8.7023 -8.6832 -8.6832 -8.6753 -8.6753 -8.6049 -8.6049 -8.5960 -8.5959 0.0650 0.0650 0.0706 0.0707 1.1919 1.1920 1.2402 1.2403 1.7661 1.7662 1.8246 1.8247 2.9653 2.9654 2.9787 2.9788 7.9734 7.9735 8.0555 8.0555 8.5167 8.5168 8.6028 8.6028 k = 0.1398 0.4061 0.6947 ( 4344 PWs) bands (ev): -10.0800 -10.0799 -10.0648 -10.0647 -9.5550 -9.5550 -9.5427 -9.5427 -9.4717 -9.4716 -9.4255 -9.4255 -8.7063 -8.7063 -8.7022 -8.7022 -8.6835 -8.6835 -8.6764 -8.6764 -8.6072 -8.6072 -8.5983 -8.5983 0.0317 0.0318 0.0367 0.0368 1.2123 1.2124 1.2604 1.2605 1.7846 1.7848 1.8445 1.8446 3.0092 3.0093 3.0235 3.0236 7.9660 7.9661 8.0383 8.0383 8.5318 8.5318 8.6112 8.6113 k = 0.1332 0.3867 0.6947 ( 4344 PWs) bands (ev): -10.0783 -10.0782 -10.0631 -10.0630 -9.5554 -9.5553 -9.5431 -9.5431 -9.4742 -9.4742 -9.4283 -9.4283 -8.7069 -8.7069 -8.7022 -8.7021 -8.6838 -8.6838 -8.6775 -8.6775 -8.6095 -8.6095 -8.6008 -8.6007 -0.0010 -0.0009 0.0034 0.0035 1.2328 1.2329 1.2806 1.2807 1.8021 1.8023 1.8627 1.8628 3.0563 3.0565 3.0713 3.0714 7.9525 7.9525 8.0158 8.0158 8.5483 8.5484 8.6225 8.6226 k = 0.1265 0.3674 0.6947 ( 4344 PWs) bands (ev): -10.0766 -10.0765 -10.0614 -10.0613 -9.5557 -9.5557 -9.5437 -9.5437 -9.4766 -9.4766 -9.4313 -9.4313 -8.7076 -8.7076 -8.7021 -8.7021 -8.6841 -8.6841 -8.6786 -8.6786 -8.6118 -8.6118 -8.6032 -8.6032 -0.0329 -0.0329 -0.0291 -0.0290 1.2533 1.2534 1.3003 1.3004 1.8190 1.8191 1.8796 1.8797 3.1060 3.1061 3.1213 3.1214 7.9328 7.9329 7.9882 7.9883 8.5662 8.5663 8.6365 8.6366 k = 0.1198 0.3481 0.6947 ( 4340 PWs) bands (ev): -10.0748 -10.0747 -10.0597 -10.0596 -9.5561 -9.5561 -9.5443 -9.5443 -9.4790 -9.4790 -9.4343 -9.4343 -8.7083 -8.7083 -8.7021 -8.7021 -8.6844 -8.6843 -8.6798 -8.6798 -8.6140 -8.6140 -8.6056 -8.6056 -0.0640 -0.0640 -0.0606 -0.0606 1.2733 1.2734 1.3194 1.3195 1.8357 1.8358 1.8957 1.8959 3.1575 3.1576 3.1729 3.1730 7.9075 7.9075 7.9560 7.9560 8.5853 8.5853 8.6530 8.6531 k = 0.1132 0.3287 0.6947 ( 4344 PWs) bands (ev): -10.0730 -10.0729 -10.0580 -10.0579 -9.5565 -9.5565 -9.5450 -9.5450 -9.4812 -9.4812 -9.4375 -9.4374 -8.7090 -8.7090 -8.7021 -8.7021 -8.6846 -8.6846 -8.6809 -8.6809 -8.6162 -8.6162 -8.6080 -8.6080 -0.0941 -0.0940 -0.0911 -0.0910 1.2927 1.2928 1.3374 1.3375 1.8526 1.8528 1.9115 1.9116 3.2100 3.2101 3.2254 3.2255 7.8769 7.8769 7.9195 7.9195 8.6054 8.6054 8.6718 8.6718 k = 0.1065 0.3094 0.6947 ( 4340 PWs) bands (ev): -10.0711 -10.0710 -10.0564 -10.0563 -9.5568 -9.5568 -9.5457 -9.5457 -9.4832 -9.4832 -9.4406 -9.4406 -8.7096 -8.7096 -8.7021 -8.7021 -8.6849 -8.6849 -8.6820 -8.6820 -8.6183 -8.6183 -8.6104 -8.6104 -0.1231 -0.1230 -0.1204 -0.1203 1.3110 1.3111 1.3540 1.3541 1.8702 1.8703 1.9273 1.9275 3.2629 3.2631 3.2781 3.2783 7.8417 7.8418 7.8792 7.8792 8.6266 8.6266 8.6926 8.6927 k = 0.0999 0.2901 0.6947 ( 4340 PWs) bands (ev): -10.0691 -10.0690 -10.0548 -10.0547 -9.5572 -9.5572 -9.5466 -9.5465 -9.4851 -9.4851 -9.4439 -9.4439 -8.7103 -8.7102 -8.7022 -8.7022 -8.6852 -8.6852 -8.6830 -8.6830 -8.6203 -8.6203 -8.6127 -8.6127 -0.1507 -0.1506 -0.1483 -0.1482 1.3280 1.3282 1.3690 1.3691 1.8887 1.8888 1.9435 1.9436 3.3156 3.3158 3.3305 3.3306 7.8027 7.8028 7.8358 7.8358 8.6487 8.6488 8.7151 8.7152 k = 0.0932 0.2707 0.6947 ( 4348 PWs) bands (ev): -10.0672 -10.0671 -10.0533 -10.0532 -9.5576 -9.5576 -9.5475 -9.5475 -9.4868 -9.4868 -9.4472 -9.4472 -8.7109 -8.7109 -8.7024 -8.7024 -8.6856 -8.6855 -8.6840 -8.6840 -8.6223 -8.6222 -8.6150 -8.6150 -0.1770 -0.1769 -0.1748 -0.1748 1.3436 1.3437 1.3822 1.3823 1.9081 1.9082 1.9602 1.9603 3.3675 3.3677 3.3818 3.3820 7.7608 7.7608 7.7901 7.7901 8.6718 8.6718 8.7389 8.7390 k = 0.0866 0.2514 0.6947 ( 4360 PWs) bands (ev): -10.0652 -10.0652 -10.0518 -10.0517 -9.5581 -9.5581 -9.5484 -9.5484 -9.4882 -9.4882 -9.4505 -9.4505 -8.7115 -8.7115 -8.7027 -8.7027 -8.6861 -8.6860 -8.6848 -8.6848 -8.6241 -8.6241 -8.6172 -8.6172 -0.2018 -0.2017 -0.1998 -0.1998 1.3577 1.3578 1.3935 1.3936 1.9285 1.9287 1.9774 1.9775 3.4180 3.4182 3.4318 3.4319 7.7167 7.7168 7.7427 7.7427 8.6957 8.6957 8.7638 8.7638 k = 0.0799 0.2320 0.6947 ( 4360 PWs) bands (ev): -10.0633 -10.0632 -10.0505 -10.0504 -9.5584 -9.5584 -9.5494 -9.5494 -9.4894 -9.4894 -9.4537 -9.4537 -8.7121 -8.7121 -8.7031 -8.7031 -8.6866 -8.6866 -8.6853 -8.6853 -8.6258 -8.6258 -8.6193 -8.6193 -0.2250 -0.2250 -0.2233 -0.2232 1.3700 1.3701 1.4030 1.4031 1.9498 1.9499 1.9952 1.9953 3.4667 3.4668 3.4798 3.4799 7.6716 7.6716 7.6946 7.6946 8.7202 8.7203 8.7892 8.7892 k = 0.0732 0.2127 0.6947 ( 4364 PWs) bands (ev): -10.0614 -10.0613 -10.0492 -10.0492 -9.5588 -9.5588 -9.5505 -9.5505 -9.4904 -9.4904 -9.4569 -9.4569 -8.7126 -8.7126 -8.7036 -8.7036 -8.6873 -8.6873 -8.6856 -8.6856 -8.6273 -8.6273 -8.6213 -8.6213 -0.2466 -0.2466 -0.2451 -0.2450 1.3808 1.3809 1.4108 1.4109 1.9717 1.9718 2.0133 2.0134 3.5130 3.5132 3.5254 3.5256 7.6261 7.6262 7.6465 7.6465 8.7454 8.7454 8.8148 8.8148 k = 0.0666 0.1934 0.6947 ( 4364 PWs) bands (ev): -10.0595 -10.0594 -10.0481 -10.0481 -9.5592 -9.5592 -9.5515 -9.5515 -9.4911 -9.4911 -9.4601 -9.4601 -8.7130 -8.7130 -8.7042 -8.7041 -8.6878 -8.6878 -8.6859 -8.6859 -8.6287 -8.6287 -8.6231 -8.6231 -0.2665 -0.2665 -0.2651 -0.2650 1.3900 1.3901 1.4169 1.4170 1.9938 1.9939 2.0316 2.0317 3.5567 3.5569 3.5682 3.5684 7.5814 7.5814 7.5993 7.5994 8.7708 8.7708 8.8400 8.8401 k = 0.0599 0.1740 0.6947 ( 4364 PWs) bands (ev): -10.0576 -10.0576 -10.0472 -10.0471 -9.5595 -9.5595 -9.5526 -9.5526 -9.4915 -9.4915 -9.4632 -9.4632 -8.7134 -8.7134 -8.7048 -8.7048 -8.6883 -8.6883 -8.6862 -8.6862 -8.6299 -8.6299 -8.6249 -8.6249 -0.2847 -0.2846 -0.2834 -0.2834 1.3978 1.3979 1.4216 1.4217 2.0157 2.0158 2.0496 2.0497 3.5973 3.5975 3.6080 3.6082 7.5381 7.5381 7.5539 7.5539 8.7963 8.7963 8.8645 8.8645 k = 0.0533 0.1547 0.6947 ( 4360 PWs) bands (ev): -10.0559 -10.0558 -10.0463 -10.0462 -9.5597 -9.5597 -9.5536 -9.5536 -9.4917 -9.4917 -9.4662 -9.4662 -8.7136 -8.7136 -8.7056 -8.7056 -8.6886 -8.6886 -8.6864 -8.6864 -8.6310 -8.6310 -8.6265 -8.6264 -0.3010 -0.3010 -0.2999 -0.2999 1.4043 1.4044 1.4251 1.4252 2.0371 2.0372 2.0669 2.0671 3.6346 3.6348 3.6443 3.6445 7.4972 7.4972 7.5109 7.5109 8.8215 8.8215 8.8876 8.8877 k = 0.0466 0.1354 0.6947 ( 4360 PWs) bands (ev): -10.0542 -10.0541 -10.0456 -10.0456 -9.5600 -9.5600 -9.5546 -9.5546 -9.4917 -9.4917 -9.4690 -9.4690 -8.7138 -8.7138 -8.7064 -8.7064 -8.6888 -8.6888 -8.6867 -8.6866 -8.6319 -8.6319 -8.6279 -8.6279 -0.3156 -0.3155 -0.3146 -0.3145 1.4096 1.4097 1.4275 1.4276 2.0573 2.0575 2.0833 2.0834 3.6682 3.6684 3.6768 3.6770 7.4593 7.4593 7.4711 7.4711 8.8461 8.8461 8.9089 8.9089 k = 0.0399 0.1160 0.6947 ( 4368 PWs) bands (ev): -10.0526 -10.0525 -10.0451 -10.0451 -9.5602 -9.5602 -9.5556 -9.5556 -9.4914 -9.4914 -9.4718 -9.4718 -8.7140 -8.7140 -8.7074 -8.7073 -8.6890 -8.6890 -8.6869 -8.6869 -8.6327 -8.6327 -8.6292 -8.6292 -0.3282 -0.3281 -0.3273 -0.3273 1.4140 1.4141 1.4291 1.4292 2.0761 2.0763 2.0982 2.0984 3.6979 3.6981 3.7055 3.7057 7.4251 7.4252 7.4351 7.4351 8.8697 8.8697 8.9277 8.9277 k = 0.0333 0.0967 0.6947 ( 4360 PWs) bands (ev): -10.0511 -10.0510 -10.0448 -10.0447 -9.5603 -9.5603 -9.5565 -9.5565 -9.4909 -9.4909 -9.4744 -9.4744 -8.7139 -8.7139 -8.7082 -8.7082 -8.6890 -8.6890 -8.6871 -8.6871 -8.6333 -8.6332 -8.6303 -8.6303 -0.3389 -0.3388 -0.3382 -0.3381 1.4177 1.4178 1.4300 1.4301 2.0931 2.0932 2.1114 2.1115 3.7236 3.7238 3.7299 3.7301 7.3953 7.3953 7.4035 7.4035 8.8918 8.8918 8.9435 8.9435 k = 0.0266 0.0773 0.6947 ( 4352 PWs) bands (ev): -10.0498 -10.0497 -10.0447 -10.0446 -9.5603 -9.5603 -9.5573 -9.5572 -9.4901 -9.4901 -9.4768 -9.4768 -8.7137 -8.7137 -8.7091 -8.7090 -8.6889 -8.6889 -8.6874 -8.6873 -8.6337 -8.6337 -8.6313 -8.6313 -0.3477 -0.3476 -0.3471 -0.3471 1.4206 1.4207 1.4304 1.4305 2.1078 2.1079 2.1223 2.1224 3.7449 3.7451 3.7500 3.7502 7.3703 7.3703 7.3768 7.3768 8.9120 8.9120 8.9558 8.9559 k = 0.0200 0.0580 0.6947 ( 4354 PWs) bands (ev): -10.0486 -10.0485 -10.0447 -10.0446 -9.5603 -9.5603 -9.5580 -9.5580 -9.4892 -9.4892 -9.4791 -9.4791 -8.7135 -8.7135 -8.7099 -8.7099 -8.6888 -8.6888 -8.6876 -8.6876 -8.6339 -8.6339 -8.6322 -8.6321 -0.3545 -0.3545 -0.3541 -0.3540 1.4230 1.4231 1.4303 1.4304 2.1199 2.1201 2.1308 2.1309 3.7618 3.7620 3.7657 3.7659 7.3506 7.3506 7.3554 7.3554 8.9299 8.9299 8.9643 8.9643 k = 0.0133 0.0387 0.6947 ( 4344 PWs) bands (ev): -10.0475 -10.0474 -10.0449 -10.0448 -9.5601 -9.5601 -9.5586 -9.5586 -9.4880 -9.4879 -9.4812 -9.4812 -8.7131 -8.7131 -8.7107 -8.7107 -8.6886 -8.6886 -8.6878 -8.6878 -8.6340 -8.6340 -8.6328 -8.6328 -0.3594 -0.3593 -0.3591 -0.3591 1.4250 1.4251 1.4298 1.4299 2.1293 2.1294 2.1365 2.1366 3.7741 3.7743 3.7767 3.7769 7.3364 7.3365 7.3396 7.3397 8.9449 8.9449 8.9686 8.9686 k = 0.0067 0.0193 0.6947 ( 4348 PWs) bands (ev): -10.0466 -10.0465 -10.0453 -10.0452 -9.5599 -9.5599 -9.5591 -9.5591 -9.4866 -9.4866 -9.4832 -9.4832 -8.7127 -8.7127 -8.7115 -8.7115 -8.6885 -8.6884 -8.6880 -8.6880 -8.6340 -8.6340 -8.6334 -8.6334 -0.3623 -0.3623 -0.3622 -0.3621 1.4267 1.4268 1.4290 1.4292 2.1357 2.1359 2.1393 2.1394 3.7818 3.7820 3.7831 3.7833 7.3282 7.3282 7.3298 7.3298 8.9566 8.9566 8.9687 8.9687 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0458 -10.0458 -10.0458 -10.0458 -9.5596 -9.5596 -9.5596 -9.5596 -9.4850 -9.4850 -9.4850 -9.4850 -8.7122 -8.7122 -8.7121 -8.7121 -8.6883 -8.6883 -8.6883 -8.6883 -8.6338 -8.6338 -8.6337 -8.6337 -0.3632 -0.3632 -0.3632 -0.3632 1.4280 1.4280 1.4281 1.4281 2.1391 2.1391 2.1392 2.1392 3.7848 3.7848 3.7850 3.7850 7.3260 7.3260 7.3260 7.3260 8.9647 8.9647 8.9647 8.9647 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0458 -10.0458 -10.0458 -10.0458 -9.5596 -9.5596 -9.5596 -9.5596 -9.4850 -9.4850 -9.4850 -9.4850 -8.7122 -8.7122 -8.7121 -8.7121 -8.6883 -8.6883 -8.6883 -8.6883 -8.6338 -8.6338 -8.6337 -8.6337 -0.3632 -0.3632 -0.3632 -0.3632 1.4280 1.4280 1.4281 1.4281 2.1391 2.1391 2.1392 2.1392 3.7848 3.7848 3.7850 3.7850 7.3260 7.3260 7.3260 7.3260 8.9647 8.9647 8.9647 8.9647 k = 0.0000 0.0000 0.6743 ( 4356 PWs) bands (ev): -10.0486 -10.0486 -10.0433 -10.0433 -9.5597 -9.5597 -9.5595 -9.5595 -9.4893 -9.4893 -9.4807 -9.4807 -8.7125 -8.7125 -8.7118 -8.7118 -8.6890 -8.6890 -8.6875 -8.6875 -8.6364 -8.6364 -8.6311 -8.6311 -0.3649 -0.3649 -0.3587 -0.3587 1.3945 1.3945 1.4608 1.4608 2.1282 2.1282 2.1492 2.1492 3.7488 3.7488 3.8170 3.8170 7.2789 7.2789 7.3798 7.3798 8.9423 8.9423 8.9900 8.9900 k = 0.0000 0.0000 0.6538 ( 4358 PWs) bands (ev): -10.0518 -10.0517 -10.0412 -10.0412 -9.5598 -9.5598 -9.5594 -9.5594 -9.4934 -9.4934 -9.4763 -9.4763 -8.7128 -8.7128 -8.7115 -8.7115 -8.6898 -8.6898 -8.6868 -8.6868 -8.6388 -8.6388 -8.6283 -8.6283 -0.3636 -0.3636 -0.3513 -0.3513 1.3603 1.3603 1.4924 1.4924 2.1165 2.1165 2.1584 2.1584 3.7089 3.7090 3.8449 3.8449 7.2391 7.2391 7.4402 7.4402 8.9232 8.9232 9.0173 9.0173 k = 0.0000 0.0000 0.6334 ( 4360 PWs) bands (ev): -10.0552 -10.0552 -10.0394 -10.0394 -9.5599 -9.5599 -9.5593 -9.5593 -9.4975 -9.4975 -9.4718 -9.4718 -8.7132 -8.7131 -8.7113 -8.7112 -8.6906 -8.6906 -8.6860 -8.6860 -8.6412 -8.6412 -8.6254 -8.6254 -0.3595 -0.3595 -0.3411 -0.3411 1.3255 1.3255 1.5228 1.5229 2.1040 2.1040 2.1667 2.1667 3.6657 3.6657 3.8683 3.8683 7.2068 7.2068 7.5066 7.5066 8.9077 8.9077 9.0453 9.0453 k = 0.0000 0.0000 0.6130 ( 4366 PWs) bands (ev): -10.0589 -10.0589 -10.0379 -10.0379 -9.5600 -9.5600 -9.5593 -9.5593 -9.5014 -9.5014 -9.4673 -9.4673 -8.7135 -8.7135 -8.7110 -8.7110 -8.6914 -8.6914 -8.6853 -8.6853 -8.6434 -8.6434 -8.6224 -8.6224 -0.3525 -0.3525 -0.3281 -0.3281 1.2905 1.2905 1.5518 1.5519 2.0908 2.0908 2.1741 2.1741 3.6192 3.6192 3.8871 3.8871 7.1824 7.1824 7.5786 7.5786 8.8960 8.8960 9.0710 9.0710 k = 0.0000 0.0000 0.5925 ( 4357 PWs) bands (ev): -10.0630 -10.0630 -10.0367 -10.0367 -9.5600 -9.5600 -9.5591 -9.5591 -9.5052 -9.5052 -9.4627 -9.4627 -8.7138 -8.7138 -8.7107 -8.7107 -8.6922 -8.6921 -8.6846 -8.6845 -8.6454 -8.6454 -8.6193 -8.6193 -0.3425 -0.3425 -0.3124 -0.3124 1.2552 1.2552 1.5792 1.5792 2.0770 2.0770 2.1805 2.1805 3.5699 3.5699 3.9011 3.9012 7.1659 7.1659 7.6559 7.6559 8.8881 8.8881 9.0891 9.0891 k = 0.0000 0.0000 0.5721 ( 4353 PWs) bands (ev): -10.0673 -10.0673 -10.0358 -10.0358 -9.5601 -9.5601 -9.5590 -9.5590 -9.5088 -9.5088 -9.4582 -9.4582 -8.7141 -8.7141 -8.7104 -8.7104 -8.6929 -8.6929 -8.6838 -8.6838 -8.6473 -8.6473 -8.6161 -8.6161 -0.3296 -0.3296 -0.2940 -0.2940 1.2200 1.2200 1.6047 1.6047 2.0627 2.0627 2.1860 2.1860 3.5179 3.5179 3.9105 3.9105 7.1576 7.1576 7.7381 7.7381 8.8840 8.8840 9.0930 9.0930 k = 0.0000 0.0000 0.5517 ( 4343 PWs) bands (ev): -10.0719 -10.0719 -10.0352 -10.0352 -9.5601 -9.5601 -9.5588 -9.5588 -9.5122 -9.5122 -9.4536 -9.4536 -8.7144 -8.7144 -8.7102 -8.7102 -8.6937 -8.6937 -8.6830 -8.6830 -8.6491 -8.6491 -8.6129 -8.6129 -0.3139 -0.3139 -0.2731 -0.2731 1.1849 1.1849 1.6282 1.6282 2.0478 2.0478 2.1905 2.1905 3.4637 3.4637 3.9152 3.9152 7.1575 7.1575 7.8247 7.8247 8.8836 8.8836 9.0800 9.0800 k = 0.0000 0.0000 0.5312 ( 4339 PWs) bands (ev): -10.0767 -10.0767 -10.0349 -10.0349 -9.5601 -9.5601 -9.5587 -9.5587 -9.5154 -9.5154 -9.4491 -9.4491 -8.7147 -8.7147 -8.7100 -8.7100 -8.6944 -8.6944 -8.6823 -8.6822 -8.6507 -8.6507 -8.6097 -8.6097 -0.2953 -0.2953 -0.2496 -0.2496 1.1501 1.1502 1.6494 1.6494 2.0326 2.0327 2.1941 2.1941 3.4073 3.4073 3.9154 3.9154 7.1657 7.1657 7.9153 7.9153 8.8869 8.8869 9.0546 9.0546 k = 0.0000 0.0000 0.5108 ( 4343 PWs) bands (ev): -10.0817 -10.0817 -10.0348 -10.0348 -9.5602 -9.5602 -9.5586 -9.5586 -9.5186 -9.5186 -9.4447 -9.4447 -8.7150 -8.7150 -8.7098 -8.7098 -8.6953 -8.6953 -8.6816 -8.6815 -8.6523 -8.6523 -8.6064 -8.6064 -0.2739 -0.2739 -0.2237 -0.2236 1.1158 1.1158 1.6681 1.6681 2.0172 2.0172 2.1968 2.1968 3.3491 3.3491 3.9113 3.9113 7.1819 7.1819 8.0094 8.0094 8.8933 8.8933 9.0228 9.0228 k = 0.0000 0.0000 0.4904 ( 4345 PWs) bands (ev): -10.0869 -10.0868 -10.0350 -10.0350 -9.5603 -9.5603 -9.5585 -9.5585 -9.5216 -9.5215 -9.4403 -9.4403 -8.7153 -8.7153 -8.7097 -8.7097 -8.6961 -8.6961 -8.6808 -8.6808 -8.6537 -8.6537 -8.6031 -8.6031 -0.2497 -0.2497 -0.1954 -0.1954 1.0820 1.0820 1.6841 1.6842 2.0015 2.0015 2.1986 2.1986 3.2892 3.2892 3.9033 3.9033 7.2060 7.2060 8.1065 8.1065 8.9016 8.9016 8.9897 8.9897 k = 0.0000 0.0000 0.4699 ( 4353 PWs) bands (ev): -10.0922 -10.0922 -10.0354 -10.0354 -9.5604 -9.5604 -9.5584 -9.5584 -9.5243 -9.5243 -9.4361 -9.4361 -8.7156 -8.7155 -8.7096 -8.7096 -8.6969 -8.6969 -8.6802 -8.6801 -8.6550 -8.6550 -8.5999 -8.5999 -0.2227 -0.2227 -0.1649 -0.1649 1.0490 1.0490 1.6972 1.6973 1.9856 1.9856 2.1996 2.1996 3.2279 3.2279 3.8917 3.8917 7.2378 7.2378 8.2060 8.2060 8.9058 8.9058 8.9633 8.9633 k = 0.0000 0.0000 0.4495 ( 4355 PWs) bands (ev): -10.0976 -10.0976 -10.0360 -10.0360 -9.5605 -9.5605 -9.5582 -9.5582 -9.5269 -9.5269 -9.4319 -9.4319 -8.7158 -8.7158 -8.7095 -8.7095 -8.6977 -8.6977 -8.6795 -8.6795 -8.6562 -8.6562 -8.5966 -8.5966 -0.1931 -0.1931 -0.1323 -0.1322 1.0168 1.0168 1.7072 1.7072 1.9698 1.9698 2.1998 2.1998 3.1653 3.1653 3.8769 3.8769 7.2769 7.2769 8.3071 8.3071 8.8900 8.8900 8.9611 8.9611 k = 0.0000 0.0000 0.4291 ( 4363 PWs) bands (ev): -10.1031 -10.1031 -10.0368 -10.0368 -9.5606 -9.5606 -9.5582 -9.5581 -9.5294 -9.5294 -9.4279 -9.4279 -8.7161 -8.7161 -8.7095 -8.7094 -8.6984 -8.6984 -8.6788 -8.6788 -8.6572 -8.6572 -8.5933 -8.5933 -0.1609 -0.1608 -0.0977 -0.0976 0.9856 0.9856 1.7139 1.7139 1.9540 1.9540 2.1993 2.1993 3.1017 3.1017 3.8596 3.8596 7.3230 7.3230 8.4084 8.4084 8.8593 8.8593 8.9792 8.9792 k = 0.0000 0.0000 0.4086 ( 4369 PWs) bands (ev): -10.1087 -10.1087 -10.0378 -10.0378 -9.5606 -9.5606 -9.5581 -9.5581 -9.5316 -9.5316 -9.4240 -9.4240 -8.7163 -8.7163 -8.7094 -8.7094 -8.6992 -8.6992 -8.6781 -8.6781 -8.6582 -8.6582 -8.5902 -8.5902 -0.1261 -0.1260 -0.0612 -0.0612 0.9555 0.9555 1.7171 1.7171 1.9384 1.9384 2.1981 2.1981 3.0373 3.0373 3.8401 3.8401 7.3756 7.3756 8.5076 8.5076 8.8272 8.8272 9.0066 9.0066 k = 0.0000 0.0000 0.3882 ( 4379 PWs) bands (ev): -10.1143 -10.1143 -10.0389 -10.0388 -9.5607 -9.5607 -9.5580 -9.5580 -9.5338 -9.5338 -9.4202 -9.4202 -8.7166 -8.7165 -8.7095 -8.7094 -8.6999 -8.6999 -8.6775 -8.6775 -8.6591 -8.6591 -8.5871 -8.5870 -0.0888 -0.0888 -0.0232 -0.0232 0.9268 0.9268 1.7166 1.7166 1.9230 1.9230 2.1963 2.1963 2.9721 2.9721 3.8190 3.8190 7.4344 7.4344 8.5987 8.5987 8.8009 8.8009 9.0417 9.0417 k = 0.0000 0.0000 0.3678 ( 4375 PWs) bands (ev): -10.1198 -10.1198 -10.0400 -10.0400 -9.5608 -9.5608 -9.5578 -9.5578 -9.5357 -9.5357 -9.4166 -9.4166 -8.7167 -8.7167 -8.7095 -8.7094 -8.7006 -8.7006 -8.6769 -8.6768 -8.6598 -8.6598 -8.5839 -8.5839 -0.0492 -0.0492 0.0163 0.0163 0.8994 0.8994 1.7124 1.7124 1.9079 1.9079 2.1939 2.1939 2.9065 2.9065 3.7967 3.7967 7.4988 7.4988 8.6623 8.6623 8.7982 8.7982 9.0858 9.0858 k = 0.0000 0.0000 0.3474 ( 4367 PWs) bands (ev): -10.1253 -10.1253 -10.0413 -10.0413 -9.5608 -9.5608 -9.5576 -9.5576 -9.5375 -9.5375 -9.4131 -9.4131 -8.7168 -8.7168 -8.7095 -8.7095 -8.7012 -8.7012 -8.6762 -8.6762 -8.6604 -8.6604 -8.5809 -8.5809 -0.0073 -0.0073 0.0569 0.0569 0.8737 0.8737 1.7043 1.7043 1.8931 1.8931 2.1910 2.1910 2.8406 2.8407 3.7738 3.7738 7.5684 7.5684 8.6704 8.6704 8.8440 8.8440 9.1416 9.1416 k = 0.0000 0.0000 0.3269 ( 4359 PWs) bands (ev): -10.1307 -10.1307 -10.0426 -10.0426 -9.5609 -9.5609 -9.5574 -9.5574 -9.5391 -9.5391 -9.4098 -9.4098 -8.7170 -8.7169 -8.7095 -8.7095 -8.7018 -8.7018 -8.6756 -8.6756 -8.6609 -8.6609 -8.5780 -8.5780 0.0368 0.0368 0.0985 0.0985 0.8497 0.8497 1.6923 1.6923 1.8787 1.8788 2.1877 2.1877 2.7747 2.7747 3.7508 3.7508 7.6426 7.6426 8.6493 8.6493 8.9089 8.9089 9.2119 9.2119 k = 0.0000 0.0000 0.3065 ( 4353 PWs) bands (ev): -10.1360 -10.1360 -10.0439 -10.0439 -9.5609 -9.5609 -9.5572 -9.5572 -9.5406 -9.5406 -9.4066 -9.4066 -8.7171 -8.7171 -8.7095 -8.7095 -8.7023 -8.7023 -8.6750 -8.6750 -8.6614 -8.6614 -8.5751 -8.5751 0.0828 0.0828 0.1405 0.1406 0.8278 0.8278 1.6765 1.6765 1.8648 1.8648 2.1841 2.1841 2.7089 2.7089 3.7279 3.7279 7.7210 7.7210 8.6217 8.6217 8.9692 8.9692 9.2972 9.2972 k = 0.0000 0.0000 0.2861 ( 4351 PWs) bands (ev): -10.1411 -10.1411 -10.0453 -10.0453 -9.5610 -9.5610 -9.5571 -9.5571 -9.5420 -9.5420 -9.4037 -9.4037 -8.7172 -8.7172 -8.7096 -8.7096 -8.7029 -8.7029 -8.6745 -8.6745 -8.6618 -8.6618 -8.5724 -8.5724 0.1308 0.1308 0.1827 0.1828 0.8081 0.8081 1.6567 1.6567 1.8513 1.8513 2.1801 2.1801 2.6435 2.6435 3.7056 3.7056 7.8029 7.8029 8.5934 8.5934 9.0210 9.0210 9.3949 9.3949 k = 0.0000 0.0000 0.2656 ( 4347 PWs) bands (ev): -10.1460 -10.1460 -10.0467 -10.0467 -9.5610 -9.5610 -9.5569 -9.5569 -9.5433 -9.5433 -9.4009 -9.4009 -8.7172 -8.7172 -8.7097 -8.7097 -8.7034 -8.7034 -8.6740 -8.6740 -8.6622 -8.6622 -8.5699 -8.5698 0.1804 0.1804 0.2246 0.2246 0.7910 0.7910 1.6332 1.6332 1.8384 1.8384 2.1758 2.1758 2.5789 2.5789 3.6842 3.6842 7.8876 7.8876 8.5662 8.5662 9.0660 9.0660 9.5014 9.5014 k = 0.0000 0.0000 0.2452 ( 4355 PWs) bands (ev): -10.1507 -10.1507 -10.0481 -10.0481 -9.5610 -9.5610 -9.5568 -9.5568 -9.5444 -9.5444 -9.3984 -9.3984 -8.7173 -8.7173 -8.7098 -8.7098 -8.7039 -8.7039 -8.6736 -8.6736 -8.6625 -8.6625 -8.5675 -8.5675 0.2315 0.2315 0.2654 0.2654 0.7770 0.7770 1.6060 1.6060 1.8261 1.8261 2.1713 2.1713 2.5153 2.5153 3.6640 3.6640 7.9742 7.9742 8.5411 8.5411 9.1060 9.1060 9.6131 9.6131 k = 0.0000 0.0000 0.2248 ( 4361 PWs) bands (ev): -10.1551 -10.1551 -10.0494 -10.0494 -9.5611 -9.5611 -9.5566 -9.5566 -9.5455 -9.5455 -9.3960 -9.3960 -8.7174 -8.7173 -8.7099 -8.7099 -8.7044 -8.7044 -8.6732 -8.6732 -8.6627 -8.6627 -8.5653 -8.5653 0.2837 0.2837 0.3046 0.3046 0.7664 0.7664 1.5753 1.5753 1.8145 1.8145 2.1665 2.1665 2.4532 2.4532 3.6451 3.6451 8.0614 8.0614 8.5193 8.5193 9.1423 9.1423 9.7276 9.7276 k = 0.0000 0.0000 0.2043 ( 4357 PWs) bands (ev): -10.1592 -10.1592 -10.0507 -10.0507 -9.5611 -9.5611 -9.5565 -9.5565 -9.5465 -9.5465 -9.3939 -9.3939 -8.7173 -8.7173 -8.7101 -8.7100 -8.7048 -8.7047 -8.6728 -8.6728 -8.6629 -8.6629 -8.5632 -8.5632 0.3347 0.3347 0.3434 0.3434 0.7598 0.7598 1.5412 1.5412 1.8036 1.8036 2.1613 2.1613 2.3933 2.3933 3.6277 3.6277 8.1470 8.1470 8.5026 8.5026 9.1756 9.1756 9.8429 9.8429 k = 0.0000 0.0000 0.1839 ( 4361 PWs) bands (ev): -10.1631 -10.1631 -10.0519 -10.0519 -9.5611 -9.5611 -9.5563 -9.5563 -9.5474 -9.5474 -9.3919 -9.3919 -8.7174 -8.7174 -8.7102 -8.7102 -8.7051 -8.7051 -8.6725 -8.6725 -8.6631 -8.6631 -8.5613 -8.5613 0.3714 0.3714 0.3936 0.3936 0.7577 0.7577 1.5042 1.5042 1.7936 1.7936 2.1553 2.1553 2.3364 2.3364 3.6119 3.6119 8.2266 8.2266 8.4949 8.4949 9.2060 9.2060 9.9572 9.9572 k = 0.0000 0.0000 0.1635 ( 4365 PWs) bands (ev): -10.1666 -10.1666 -10.0530 -10.0530 -9.5612 -9.5612 -9.5561 -9.5561 -9.5482 -9.5482 -9.3902 -9.3902 -8.7174 -8.7174 -8.7103 -8.7103 -8.7054 -8.7054 -8.6722 -8.6722 -8.6632 -8.6632 -8.5595 -8.5595 0.3997 0.3997 0.4479 0.4480 0.7606 0.7606 1.4647 1.4647 1.7845 1.7846 2.1478 2.1478 2.2839 2.2839 3.5977 3.5977 8.2909 8.2909 8.5047 8.5047 9.2336 9.2336 10.0680 10.0681 k = 0.0000 0.0000 0.1430 ( 4371 PWs) bands (ev): -10.1697 -10.1697 -10.0541 -10.0541 -9.5612 -9.5612 -9.5559 -9.5559 -9.5489 -9.5489 -9.3886 -9.3886 -8.7174 -8.7174 -8.7105 -8.7105 -8.7057 -8.7057 -8.6720 -8.6720 -8.6633 -8.6633 -8.5580 -8.5580 0.4225 0.4225 0.5026 0.5026 0.7684 0.7684 1.4230 1.4230 1.7764 1.7764 2.1369 2.1369 2.2383 2.2383 3.5853 3.5853 8.3281 8.3281 8.5429 8.5429 9.2582 9.2582 10.1706 10.1706 k = 0.0000 0.0000 0.1226 ( 4363 PWs) bands (ev): -10.1724 -10.1724 -10.0550 -10.0550 -9.5612 -9.5612 -9.5557 -9.5557 -9.5495 -9.5495 -9.3873 -9.3873 -8.7174 -8.7174 -8.7106 -8.7106 -8.7059 -8.7059 -8.6717 -8.6717 -8.6633 -8.6633 -8.5566 -8.5566 0.4398 0.4398 0.5567 0.5567 0.7804 0.7804 1.3801 1.3801 1.7693 1.7693 2.1192 2.1192 2.2040 2.2040 3.5745 3.5745 8.3403 8.3403 8.6062 8.6062 9.2796 9.2796 10.2381 10.2381 k = 0.0000 0.0000 0.1022 ( 4359 PWs) bands (ev): -10.1748 -10.1748 -10.0558 -10.0558 -9.5612 -9.5612 -9.5556 -9.5556 -9.5500 -9.5500 -9.3861 -9.3861 -8.7174 -8.7173 -8.7107 -8.7107 -8.7061 -8.7061 -8.6715 -8.6715 -8.6634 -8.6634 -8.5555 -8.5555 0.4524 0.4524 0.6094 0.6094 0.7953 0.7953 1.3367 1.3367 1.7632 1.7632 2.0932 2.0932 2.1833 2.1833 3.5655 3.5655 8.3402 8.3402 8.6800 8.6800 9.2974 9.2974 10.2060 10.2060 k = 0.0000 0.0000 0.0817 ( 4357 PWs) bands (ev): -10.1767 -10.1767 -10.0564 -10.0564 -9.5612 -9.5612 -9.5554 -9.5554 -9.5505 -9.5505 -9.3852 -9.3852 -8.7174 -8.7173 -8.7108 -8.7108 -8.7063 -8.7063 -8.6714 -8.6714 -8.6633 -8.6633 -8.5545 -8.5545 0.4609 0.4609 0.6592 0.6592 0.8113 0.8113 1.2943 1.2943 1.7582 1.7582 2.0637 2.0637 2.1723 2.1723 3.5581 3.5581 8.3361 8.3361 8.7539 8.7539 9.3113 9.3113 10.1405 10.1405 k = 0.0000 0.0000 0.0613 ( 4351 PWs) bands (ev): -10.1783 -10.1783 -10.0569 -10.0569 -9.5612 -9.5612 -9.5552 -9.5552 -9.5508 -9.5508 -9.3844 -9.3844 -8.7173 -8.7173 -8.7108 -8.7108 -8.7064 -8.7064 -8.6713 -8.6713 -8.6633 -8.6633 -8.5538 -8.5538 0.4664 0.4664 0.7043 0.7043 0.8264 0.8264 1.2548 1.2548 1.7543 1.7543 2.0368 2.0368 2.1663 2.1663 3.5525 3.5525 8.3312 8.3312 8.8211 8.8211 9.3213 9.3213 10.0783 10.0783 k = 0.0000 0.0000 0.0409 ( 4347 PWs) bands (ev): -10.1794 -10.1794 -10.0573 -10.0573 -9.5612 -9.5612 -9.5550 -9.5550 -9.5511 -9.5511 -9.3839 -9.3839 -8.7173 -8.7173 -8.7109 -8.7109 -8.7064 -8.7064 -8.6712 -8.6712 -8.6633 -8.6633 -8.5532 -8.5532 0.4697 0.4697 0.7417 0.7417 0.8387 0.8387 1.2214 1.2214 1.7515 1.7515 2.0158 2.0158 2.1629 2.1629 3.5484 3.5484 8.3272 8.3272 8.8757 8.8757 9.3274 9.3274 10.0280 10.0280 k = 0.0000 0.0000 0.0204 ( 4355 PWs) bands (ev): -10.1800 -10.1800 -10.0575 -10.0575 -9.5612 -9.5612 -9.5550 -9.5550 -9.5513 -9.5513 -9.3836 -9.3836 -8.7173 -8.7173 -8.7109 -8.7109 -8.7065 -8.7065 -8.6711 -8.6711 -8.6634 -8.6634 -8.5529 -8.5529 0.4715 0.4715 0.7672 0.7672 0.8468 0.8468 1.1983 1.1983 1.7498 1.7498 2.0025 2.0025 2.1610 2.1610 3.5460 3.5460 8.3246 8.3246 8.9120 8.9120 9.3304 9.3304 9.9952 9.9952 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1803 -10.1803 -10.0576 -10.0576 -9.5613 -9.5613 -9.5550 -9.5550 -9.5514 -9.5514 -9.3835 -9.3835 -8.7173 -8.7173 -8.7109 -8.7109 -8.7066 -8.7066 -8.6711 -8.6711 -8.6634 -8.6634 -8.5528 -8.5528 0.4720 0.4720 0.7764 0.7764 0.8496 0.8496 1.1899 1.1899 1.7493 1.7493 1.9979 1.9979 2.1605 2.1605 3.5452 3.5452 8.3237 8.3237 8.9248 8.9248 9.3312 9.3312 9.9837 9.9837 k = 0.0000 0.0000 0.0000 ( 4363 PWs) bands (ev): -10.1803 -10.1803 -10.0576 -10.0576 -9.5613 -9.5613 -9.5550 -9.5550 -9.5514 -9.5514 -9.3835 -9.3835 -8.7173 -8.7173 -8.7109 -8.7109 -8.7066 -8.7066 -8.6711 -8.6711 -8.6634 -8.6634 -8.5528 -8.5528 0.4720 0.4720 0.7764 0.7764 0.8496 0.8496 1.1899 1.1899 1.7493 1.7493 1.9979 1.9979 2.1605 2.1605 3.5452 3.5452 8.3237 8.3237 8.9248 8.9248 9.3312 9.3312 9.9837 9.9837 k =-0.0192 0.0066 0.0000 ( 4361 PWs) bands (ev): -10.1801 -10.1801 -10.0576 -10.0576 -9.5612 -9.5612 -9.5550 -9.5549 -9.5514 -9.5514 -9.3839 -9.3835 -8.7173 -8.7173 -8.7110 -8.7109 -8.7066 -8.7065 -8.6714 -8.6713 -8.6633 -8.6631 -8.5532 -8.5528 0.4501 0.4507 0.7991 0.8004 0.8493 0.8496 1.1909 1.1913 1.7487 1.7487 1.9971 1.9980 2.1608 2.1610 3.5457 3.5459 8.3158 8.3229 8.9186 8.9262 9.3324 9.3331 9.9790 9.9849 k =-0.0385 0.0132 0.0000 ( 4361 PWs) bands (ev): -10.1796 -10.1796 -10.0576 -10.0574 -9.5612 -9.5612 -9.5551 -9.5549 -9.5513 -9.5512 -9.3845 -9.3838 -8.7173 -8.7172 -8.7109 -8.7107 -8.7066 -8.7065 -8.6720 -8.6719 -8.6630 -8.6627 -8.5537 -8.5529 0.3983 0.3992 0.8443 0.8467 0.8593 0.8602 1.1947 1.1955 1.7469 1.7470 1.9955 1.9974 2.1621 2.1623 3.5473 3.5477 8.2996 8.3134 8.9077 8.9227 9.3366 9.3380 9.9710 9.9823 k =-0.0577 0.0199 0.0000 ( 4351 PWs) bands (ev): -10.1788 -10.1787 -10.0575 -10.0572 -9.5612 -9.5612 -9.5551 -9.5549 -9.5510 -9.5510 -9.3855 -9.3845 -8.7172 -8.7171 -8.7107 -8.7104 -8.7066 -8.7064 -8.6728 -8.6727 -8.6624 -8.6620 -8.5544 -8.5532 0.3341 0.3350 0.8454 0.8460 0.9294 0.9304 1.2021 1.2037 1.7440 1.7441 1.9931 1.9961 2.1642 2.1645 3.5500 3.5506 8.2753 8.2953 8.8927 8.9143 9.3437 9.3458 9.9597 9.9756 k =-0.0769 0.0265 0.0000 ( 4353 PWs) bands (ev): -10.1777 -10.1776 -10.0574 -10.0570 -9.5611 -9.5611 -9.5552 -9.5550 -9.5508 -9.5507 -9.3868 -9.3854 -8.7171 -8.7170 -8.7105 -8.7102 -8.7066 -8.7063 -8.6738 -8.6737 -8.6618 -8.6614 -8.5554 -8.5538 0.2660 0.2669 0.8432 0.8437 1.0051 1.0058 1.2157 1.2186 1.7401 1.7403 1.9899 1.9940 2.1671 2.1676 3.5537 3.5546 8.2433 8.2688 8.8738 8.9012 9.3535 9.3564 9.9451 9.9643 k =-0.0962 0.0331 0.0000 ( 4357 PWs) bands (ev): -10.1762 -10.1761 -10.0572 -10.0567 -9.5611 -9.5611 -9.5553 -9.5550 -9.5506 -9.5504 -9.3884 -9.3867 -8.7170 -8.7170 -8.7102 -8.7099 -8.7066 -8.7062 -8.6749 -8.6749 -8.6612 -8.6607 -8.5566 -8.5546 0.1974 0.1982 0.8402 0.8407 1.0742 1.0748 1.2419 1.2471 1.7352 1.7356 1.9859 1.9913 2.1707 2.1713 3.5583 3.5593 8.2041 8.2343 8.8518 8.8840 9.3656 9.3696 9.9269 9.9482 k =-0.1154 0.0397 0.0000 ( 4353 PWs) bands (ev): -10.1745 -10.1743 -10.0569 -10.0564 -9.5610 -9.5610 -9.5553 -9.5550 -9.5502 -9.5499 -9.3903 -9.3883 -8.7169 -8.7168 -8.7098 -8.7095 -8.7066 -8.7060 -8.6761 -8.6761 -8.6606 -8.6600 -8.5579 -8.5556 0.1300 0.1308 0.8367 0.8372 1.1236 1.1259 1.2912 1.2995 1.7296 1.7301 1.9811 1.9881 2.1750 2.1758 3.5636 3.5648 8.1582 8.1920 8.8270 8.8629 9.3797 9.3851 9.9054 9.9273 k =-0.1346 0.0464 0.0000 ( 4365 PWs) bands (ev): -10.1725 -10.1723 -10.0566 -10.0560 -9.5611 -9.5610 -9.5554 -9.5551 -9.5498 -9.5495 -9.3925 -9.3902 -8.7169 -8.7167 -8.7094 -8.7092 -8.7066 -8.7058 -8.6774 -8.6774 -8.6600 -8.6594 -8.5594 -8.5568 0.0646 0.0653 0.8326 0.8331 1.1529 1.1558 1.3650 1.3757 1.7233 1.7241 1.9754 1.9845 2.1798 2.1808 3.5693 3.5708 8.1061 8.1425 8.8000 8.8387 9.3954 9.4024 9.8806 9.9017 k =-0.1538 0.0530 0.0000 ( 4359 PWs) bands (ev): -10.1702 -10.1701 -10.0563 -10.0557 -9.5610 -9.5609 -9.5555 -9.5552 -9.5492 -9.5488 -9.3949 -9.3923 -8.7167 -8.7166 -8.7089 -8.7088 -8.7066 -8.7055 -8.6787 -8.6786 -8.6595 -8.6588 -8.5610 -8.5582 0.0017 0.0023 0.8280 0.8286 1.1712 1.1741 1.4525 1.4660 1.7166 1.7177 1.9690 1.9808 2.1852 2.1863 3.5753 3.5770 8.0483 8.0864 8.7714 8.8119 9.4121 9.4211 9.8533 9.8723 k =-0.1731 0.0596 0.0000 ( 4363 PWs) bands (ev): -10.1678 -10.1676 -10.0560 -10.0553 -9.5609 -9.5609 -9.5556 -9.5553 -9.5487 -9.5482 -9.3975 -9.3947 -8.7166 -8.7164 -8.7085 -8.7084 -8.7066 -8.7052 -8.6800 -8.6799 -8.6590 -8.6584 -8.5628 -8.5597 -0.0585 -0.0580 0.8231 0.8237 1.1849 1.1877 1.5454 1.5633 1.7095 1.7116 1.9620 1.9778 2.1908 2.1921 3.5812 3.5832 7.9854 8.0243 8.7417 8.7831 9.4287 9.4404 9.8248 9.8402 k =-0.1923 0.0662 0.0000 ( 4367 PWs) bands (ev): -10.1651 -10.1649 -10.0556 -10.0549 -9.5608 -9.5608 -9.5557 -9.5554 -9.5481 -9.5474 -9.4004 -9.3973 -8.7164 -8.7162 -8.7082 -8.7078 -8.7065 -8.7047 -8.6813 -8.6812 -8.6586 -8.6579 -8.5647 -8.5614 -0.1157 -0.1153 0.8180 0.8185 1.1967 1.1994 1.6367 1.6639 1.7024 1.7080 1.9547 1.9769 2.1968 2.1984 3.5868 3.5891 7.9180 7.9569 8.7114 8.7529 9.4440 9.4592 9.7969 9.8076 k =-0.2115 0.0728 0.0000 ( 4369 PWs) bands (ev): -10.1623 -10.1621 -10.0552 -10.0545 -9.5608 -9.5607 -9.5558 -9.5555 -9.5474 -9.5466 -9.4034 -9.4001 -8.7162 -8.7161 -8.7080 -8.7073 -8.7063 -8.7042 -8.6826 -8.6825 -8.6582 -8.6576 -8.5666 -8.5631 -0.1698 -0.1694 0.8126 0.8131 1.2078 1.2104 1.6858 1.6942 1.7425 1.7666 1.9477 1.9816 2.2029 2.2048 3.5917 3.5942 7.8466 7.8849 8.6809 8.7218 9.4560 9.4755 9.7725 9.7771 k =-0.2308 0.0795 0.0000 ( 4365 PWs) bands (ev): -10.1593 -10.1591 -10.0549 -10.0540 -9.5607 -9.5606 -9.5559 -9.5556 -9.5466 -9.5458 -9.4065 -9.4031 -8.7160 -8.7159 -8.7078 -8.7069 -8.7059 -8.7035 -8.6839 -8.6837 -8.6579 -8.6573 -8.5685 -8.5649 -0.2207 -0.2204 0.8071 0.8076 1.2187 1.2212 1.6838 1.6869 1.8137 1.8641 1.9459 2.0017 2.2090 2.2115 3.5956 3.5983 7.7721 7.8091 8.6507 8.6904 9.4620 9.4865 9.7527 9.7550 k =-0.2500 0.0861 0.0000 ( 4359 PWs) bands (ev): -10.1563 -10.1561 -10.0545 -10.0536 -9.5606 -9.5605 -9.5560 -9.5557 -9.5457 -9.5448 -9.4096 -9.4061 -8.7158 -8.7156 -8.7076 -8.7068 -8.7052 -8.7028 -8.6852 -8.6849 -8.6577 -8.6571 -8.5704 -8.5668 -0.2683 -0.2681 0.8015 0.8020 1.2294 1.2319 1.6776 1.6795 1.8585 1.9110 1.9945 2.0525 2.2152 2.2187 3.5979 3.6010 7.6953 7.7306 8.6211 8.6593 9.4599 9.4886 9.7387 9.7473 k =-0.2692 0.0927 0.0000 ( 4357 PWs) bands (ev): -10.1532 -10.1531 -10.0542 -10.0533 -9.5605 -9.5604 -9.5561 -9.5558 -9.5448 -9.5438 -9.4129 -9.4093 -8.7155 -8.7154 -8.7075 -8.7067 -8.7044 -8.7020 -8.6863 -8.6861 -8.6575 -8.6571 -8.5724 -8.5687 -0.3126 -0.3124 0.7960 0.7965 1.2402 1.2426 1.6709 1.6724 1.8745 1.9081 2.0911 2.1325 2.2216 2.2274 3.5984 3.6018 7.6171 7.6502 8.5926 8.6287 9.4489 9.4798 9.7381 9.7509 k =-0.2885 0.0993 0.0000 ( 4355 PWs) bands (ev): -10.1502 -10.1500 -10.0538 -10.0530 -9.5604 -9.5603 -9.5562 -9.5559 -9.5438 -9.5428 -9.4161 -9.4125 -8.7153 -8.7151 -8.7075 -8.7068 -8.7036 -8.7013 -8.6874 -8.6871 -8.6574 -8.6570 -8.5742 -8.5706 -0.3534 -0.3532 0.7906 0.7911 1.2509 1.2532 1.6644 1.6656 1.8763 1.8995 2.1828 2.2180 2.2358 2.2459 3.5966 3.6002 7.5385 7.5693 8.5654 8.5991 9.4309 9.4616 9.7498 9.7644 k =-0.3077 0.1059 0.0000 ( 4355 PWs) bands (ev): -10.1471 -10.1470 -10.0536 -10.0527 -9.5603 -9.5602 -9.5563 -9.5560 -9.5429 -9.5418 -9.4193 -9.4158 -8.7150 -8.7148 -8.7075 -8.7068 -8.7028 -8.7005 -8.6884 -8.6881 -8.6574 -8.6571 -8.5761 -8.5726 -0.3908 -0.3907 0.7854 0.7859 1.2614 1.2636 1.6581 1.6591 1.8724 1.8896 2.2221 2.2309 2.3166 2.3270 3.5919 3.5958 7.4608 7.4890 8.5398 8.5710 9.4087 9.4375 9.7704 9.7854 k =-0.3269 0.1126 0.0000 ( 4355 PWs) bands (ev): -10.1442 -10.1441 -10.0533 -10.0525 -9.5602 -9.5601 -9.5564 -9.5562 -9.5418 -9.5407 -9.4224 -9.4190 -8.7146 -8.7145 -8.7075 -8.7069 -8.7021 -8.6999 -8.6892 -8.6889 -8.6575 -8.6572 -8.5778 -8.5745 -0.4248 -0.4246 0.7805 0.7809 1.2718 1.2739 1.6523 1.6531 1.8661 1.8795 2.2324 2.2364 2.4146 2.4263 3.5841 3.5883 7.3850 7.4105 8.5161 8.5445 9.3849 9.4112 9.7966 9.8112 k =-0.3462 0.1192 0.0000 ( 4355 PWs) bands (ev): -10.1414 -10.1413 -10.0531 -10.0523 -9.5601 -9.5600 -9.5565 -9.5563 -9.5408 -9.5397 -9.4254 -9.4221 -8.7143 -8.7142 -8.7075 -8.7070 -8.7014 -8.6993 -8.6899 -8.6896 -8.6576 -8.6574 -8.5794 -8.5762 -0.4552 -0.4551 0.7759 0.7763 1.2817 1.2837 1.6469 1.6476 1.8587 1.8695 2.2387 2.2411 2.5141 2.5249 3.5726 3.5771 7.3126 7.3353 8.4946 8.5200 9.3614 9.3848 9.8257 9.8397 k =-0.3654 0.1258 0.0000 ( 4355 PWs) bands (ev): -10.1388 -10.1387 -10.0529 -10.0522 -9.5600 -9.5599 -9.5566 -9.5564 -9.5398 -9.5387 -9.4281 -9.4251 -8.7140 -8.7139 -8.7076 -8.7071 -8.7008 -8.6989 -8.6905 -8.6901 -8.6577 -8.6576 -8.5808 -8.5779 -0.4821 -0.4820 0.7717 0.7720 1.2911 1.2930 1.6421 1.6427 1.8511 1.8598 2.2437 2.2454 2.6114 2.6212 3.5572 3.5619 7.2448 7.2647 8.4753 8.4977 9.3394 9.3600 9.8559 9.8693 k =-0.3846 0.1324 0.0000 ( 4347 PWs) bands (ev): -10.1364 -10.1364 -10.0528 -10.0521 -9.5598 -9.5598 -9.5567 -9.5565 -9.5388 -9.5377 -9.4306 -9.4279 -8.7136 -8.7136 -8.7077 -8.7072 -8.7003 -8.6987 -8.6907 -8.6903 -8.6579 -8.6578 -8.5820 -8.5795 -0.5054 -0.5053 0.7680 0.7682 1.2998 1.3015 1.6379 1.6384 1.8436 1.8507 2.2479 2.2491 2.7051 2.7140 3.5377 3.5425 7.1829 7.1999 8.4585 8.4777 9.3198 9.3375 9.8858 9.8984 k =-0.4038 0.1391 0.0000 ( 4351 PWs) bands (ev): -10.1343 -10.1343 -10.0527 -10.0521 -9.5597 -9.5596 -9.5568 -9.5566 -9.5379 -9.5369 -9.4328 -9.4304 -8.7133 -8.7132 -8.7078 -8.7074 -8.7000 -8.6987 -8.6909 -8.6904 -8.6581 -8.6581 -8.5831 -8.5809 -0.5252 -0.5251 0.7647 0.7649 1.3077 1.3091 1.6343 1.6347 1.8367 1.8425 2.2514 2.2523 2.7939 2.8020 3.5141 3.5189 7.1281 7.1423 8.4443 8.4604 9.3031 9.3179 9.9141 9.9259 k =-0.4231 0.1457 0.0000 ( 4341 PWs) bands (ev): -10.1325 -10.1325 -10.0526 -10.0521 -9.5596 -9.5595 -9.5568 -9.5567 -9.5370 -9.5361 -9.4346 -9.4326 -8.7129 -8.7129 -8.7079 -8.7075 -8.6997 -8.6987 -8.6908 -8.6903 -8.6583 -8.6583 -8.5839 -8.5820 -0.5413 -0.5413 0.7620 0.7622 1.3144 1.3156 1.6314 1.6317 1.8308 1.8352 2.2543 2.2550 2.8763 2.8836 3.4868 3.4917 7.0818 7.0931 8.4328 8.4457 9.2895 9.3013 9.9397 9.9504 k =-0.4423 0.1523 0.0000 ( 4348 PWs) bands (ev): -10.1311 -10.1311 -10.0525 -10.0521 -9.5595 -9.5595 -9.5569 -9.5568 -9.5363 -9.5356 -9.4360 -9.4344 -8.7126 -8.7126 -8.7080 -8.7077 -8.6996 -8.6989 -8.6907 -8.6903 -8.6585 -8.6585 -8.5845 -8.5831 -0.5539 -0.5539 0.7598 0.7600 1.3199 1.3209 1.6291 1.6293 1.8259 1.8292 2.2566 2.2570 2.9501 2.9563 3.4573 3.4619 7.0448 7.0533 8.4241 8.4338 9.2791 9.2881 9.9616 9.9706 k =-0.4615 0.1589 0.0000 ( 4344 PWs) bands (ev): -10.1301 -10.1301 -10.0524 -10.0522 -9.5594 -9.5594 -9.5570 -9.5569 -9.5357 -9.5352 -9.4370 -9.4359 -8.7124 -8.7124 -8.7081 -8.7079 -8.6995 -8.6990 -8.6905 -8.6902 -8.6587 -8.6587 -8.5848 -8.5839 -0.5629 -0.5629 0.7583 0.7584 1.3240 1.3247 1.6275 1.6277 1.8224 1.8246 2.2582 2.2585 3.0117 3.0166 3.4285 3.4323 7.0182 7.0239 8.4183 8.4248 9.2721 9.2781 9.9788 9.9854 k =-0.4808 0.1655 0.0000 ( 4344 PWs) bands (ev): -10.1294 -10.1294 -10.0523 -10.0522 -9.5594 -9.5594 -9.5570 -9.5569 -9.5353 -9.5351 -9.4374 -9.4369 -8.7122 -8.7122 -8.7081 -8.7080 -8.6994 -8.6992 -8.6904 -8.6902 -8.6588 -8.6588 -8.5849 -8.5845 -0.5683 -0.5683 0.7574 0.7574 1.3266 1.3270 1.6265 1.6266 1.8205 1.8216 2.2592 2.2593 3.0552 3.0581 3.4061 3.4084 7.0025 7.0053 8.4155 8.4187 9.2685 9.2715 9.9903 9.9939 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1292 -10.1292 -10.0523 -10.0523 -9.5594 -9.5594 -9.5569 -9.5569 -9.5351 -9.5351 -9.4374 -9.4374 -8.7122 -8.7122 -8.7081 -8.7081 -8.6993 -8.6993 -8.6903 -8.6903 -8.6588 -8.6588 -8.5848 -8.5848 -0.5701 -0.5701 0.7571 0.7571 1.3276 1.3276 1.6263 1.6263 1.8202 1.8202 2.2596 2.2596 3.0724 3.0724 3.3980 3.3980 6.9981 6.9981 8.4156 8.4156 9.2683 9.2683 9.9955 9.9955 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1292 -10.1292 -10.0523 -10.0523 -9.5594 -9.5594 -9.5569 -9.5569 -9.5351 -9.5351 -9.4374 -9.4374 -8.7122 -8.7122 -8.7081 -8.7081 -8.6993 -8.6993 -8.6903 -8.6903 -8.6588 -8.6588 -8.5848 -8.5848 -0.5701 -0.5701 0.7571 0.7571 1.3276 1.3276 1.6263 1.6263 1.8202 1.8202 2.2596 2.2596 3.0724 3.0724 3.3980 3.3980 6.9981 6.9981 8.4156 8.4156 9.2683 9.2683 9.9955 9.9955 k =-0.4933 0.1916-0.0000 ( 4342 PWs) bands (ev): -10.1291 -10.1290 -10.0522 -10.0521 -9.5594 -9.5594 -9.5571 -9.5568 -9.5351 -9.5351 -9.4375 -9.4373 -8.7121 -8.7121 -8.7082 -8.7080 -8.6993 -8.6993 -8.6904 -8.6901 -8.6588 -8.6588 -8.5850 -8.5847 -0.5707 -0.5705 0.7559 0.7560 1.3279 1.3287 1.6259 1.6266 1.8200 1.8211 2.2564 2.2586 3.0756 3.0768 3.3978 3.3980 6.9992 6.9993 8.4124 8.4147 9.2690 9.2705 9.9445 9.9776 k =-0.4866 0.2109-0.0000 ( 4346 PWs) bands (ev): -10.1285 -10.1283 -10.0519 -10.0517 -9.5594 -9.5594 -9.5572 -9.5566 -9.5351 -9.5351 -9.4377 -9.4374 -8.7121 -8.7121 -8.7083 -8.7080 -8.6992 -8.6992 -8.6907 -8.6901 -8.6588 -8.6587 -8.5854 -8.5847 -0.5722 -0.5719 0.7523 0.7525 1.3295 1.3312 1.6255 1.6270 1.8207 1.8229 2.2493 2.2536 3.0865 3.0888 3.3974 3.3977 7.0025 7.0025 8.4050 8.4095 9.2722 9.2755 9.8637 9.9043 k =-0.4800 0.2303-0.0000 ( 4338 PWs) bands (ev): -10.1275 -10.1271 -10.0513 -10.0511 -9.5594 -9.5593 -9.5571 -9.5563 -9.5351 -9.5350 -9.4380 -9.4375 -8.7120 -8.7120 -8.7084 -8.7079 -8.6990 -8.6990 -8.6909 -8.6900 -8.6588 -8.6587 -8.5859 -8.5848 -0.5746 -0.5742 0.7464 0.7466 1.3325 1.3351 1.6250 1.6273 1.8221 1.8254 2.2388 2.2451 3.1044 3.1077 3.3967 3.3973 7.0079 7.0080 8.3935 8.4002 9.2773 9.2829 9.7732 9.8116 k =-0.4733 0.2497-0.0000 ( 4342 PWs) bands (ev): -10.1261 -10.1256 -10.0506 -10.0503 -9.5593 -9.5593 -9.5572 -9.5561 -9.5351 -9.5350 -9.4384 -9.4377 -8.7119 -8.7119 -8.7085 -8.7080 -8.6988 -8.6988 -8.6911 -8.6899 -8.6588 -8.6587 -8.5866 -8.5851 -0.5779 -0.5774 0.7382 0.7385 1.3369 1.3403 1.6247 1.6277 1.8243 1.8288 2.2254 2.2336 3.1289 3.1331 3.3958 3.3966 7.0155 7.0156 8.3780 8.3868 9.2824 9.2913 9.6802 9.7130 k =-0.4666 0.2691-0.0000 ( 4338 PWs) bands (ev): -10.1242 -10.1237 -10.0496 -10.0492 -9.5592 -9.5592 -9.5572 -9.5558 -9.5350 -9.5350 -9.4388 -9.4379 -8.7117 -8.7117 -8.7087 -8.7080 -8.6986 -8.6985 -8.6914 -8.6899 -8.6588 -8.6586 -8.5873 -8.5854 -0.5822 -0.5815 0.7277 0.7281 1.3426 1.3469 1.6244 1.6282 1.8273 1.8328 2.2100 2.2199 3.1591 3.1641 3.3946 3.3956 7.0252 7.0254 8.3586 8.3696 9.2830 9.2977 9.5912 9.6152 k =-0.4599 0.2885-0.0000 ( 4342 PWs) bands (ev): -10.1220 -10.1214 -10.0484 -10.0479 -9.5592 -9.5591 -9.5572 -9.5555 -9.5350 -9.5350 -9.4393 -9.4383 -8.7114 -8.7114 -8.7089 -8.7082 -8.6983 -8.6982 -8.6917 -8.6899 -8.6588 -8.6586 -8.5881 -8.5859 -0.5873 -0.5865 0.7149 0.7154 1.3496 1.3548 1.6242 1.6289 1.8309 1.8376 2.1931 2.2048 3.1942 3.1999 3.3932 3.3945 7.0371 7.0373 8.3356 8.3487 9.2682 9.2928 9.5180 9.5289 k =-0.4533 0.3079-0.0000 ( 4338 PWs) bands (ev): -10.1194 -10.1187 -10.0470 -10.0465 -9.5590 -9.5589 -9.5571 -9.5551 -9.5350 -9.5350 -9.4398 -9.4387 -8.7111 -8.7111 -8.7091 -8.7083 -8.6980 -8.6979 -8.6920 -8.6898 -8.6588 -8.6586 -8.5891 -8.5866 -0.5933 -0.5924 0.7000 0.7006 1.3579 1.3640 1.6243 1.6298 1.8352 1.8430 2.1756 2.1888 3.2335 3.2399 3.3915 3.3932 7.0510 7.0513 8.3092 8.3243 9.2208 9.2555 9.4758 9.4782 k =-0.4466 0.3273-0.0000 ( 4342 PWs) bands (ev): -10.1165 -10.1156 -10.0454 -10.0448 -9.5590 -9.5588 -9.5570 -9.5548 -9.5350 -9.5349 -9.4405 -9.4393 -8.7109 -8.7108 -8.7093 -8.7084 -8.6977 -8.6975 -8.6924 -8.6899 -8.6587 -8.6585 -8.5902 -8.5873 -0.6001 -0.5991 0.6829 0.6836 1.3674 1.3745 1.6246 1.6311 1.8400 1.8491 2.1580 2.1727 3.2760 3.2832 3.3896 3.3919 7.0669 7.0674 8.2796 8.2967 9.1393 9.1759 9.4663 9.4737 k =-0.4399 0.3467-0.0000 ( 4338 PWs) bands (ev): -10.1132 -10.1122 -10.0437 -10.0430 -9.5588 -9.5586 -9.5569 -9.5543 -9.5350 -9.5348 -9.4412 -9.4398 -8.7106 -8.7105 -8.7095 -8.7086 -8.6971 -8.6970 -8.6927 -8.6899 -8.6587 -8.6585 -8.5914 -8.5882 -0.6076 -0.6065 0.6639 0.6647 1.3781 1.3863 1.6252 1.6327 1.8455 1.8557 2.1408 2.1569 3.3202 3.3287 3.3882 3.3917 7.0848 7.0855 8.2471 8.2663 9.0386 9.0726 9.4821 9.4898 k =-0.4332 0.3661-0.0000 ( 4338 PWs) bands (ev): -10.1095 -10.1085 -10.0417 -10.0410 -9.5588 -9.5585 -9.5568 -9.5539 -9.5349 -9.5346 -9.4420 -9.4405 -8.7103 -8.7103 -8.7097 -8.7088 -8.6966 -8.6965 -8.6931 -8.6899 -8.6586 -8.6584 -8.5927 -8.5892 -0.6159 -0.6147 0.6430 0.6439 1.3899 1.3992 1.6263 1.6348 1.8513 1.8628 2.1244 2.1418 3.3592 3.3687 3.3945 3.3989 7.1046 7.1055 8.2121 8.2332 8.9288 8.9593 9.5094 9.5166 k =-0.4265 0.3855-0.0000 ( 4346 PWs) bands (ev): -10.1056 -10.1045 -10.0397 -10.0388 -9.5587 -9.5584 -9.5567 -9.5535 -9.5348 -9.5344 -9.4429 -9.4414 -8.7102 -8.7101 -8.7097 -8.7090 -8.6961 -8.6960 -8.6934 -8.6899 -8.6585 -8.6584 -8.5941 -8.5903 -0.6247 -0.6235 0.6204 0.6213 1.4029 1.4134 1.6278 1.6374 1.8576 1.8704 2.1090 2.1278 3.3724 3.3756 3.4337 3.4356 7.1262 7.1273 8.1749 8.1980 8.8142 8.8416 9.5415 9.5480 k =-0.4199 0.4049-0.0000 ( 4354 PWs) bands (ev): -10.1014 -10.1002 -10.0374 -10.0366 -9.5586 -9.5583 -9.5565 -9.5530 -9.5347 -9.5341 -9.4438 -9.4423 -8.7104 -8.7101 -8.7094 -8.7090 -8.6956 -8.6956 -8.6937 -8.6898 -8.6584 -8.6584 -8.5957 -8.5916 -0.6342 -0.6328 0.5962 0.5971 1.4169 1.4286 1.6297 1.6405 1.8642 1.8782 2.0949 2.1150 3.3720 3.3730 3.4836 3.4877 7.1495 7.1509 8.1359 8.1610 8.6971 8.7216 9.4720 9.5033 k =-0.4132 0.4243-0.0000 ( 4358 PWs) bands (ev): -10.0969 -10.0956 -10.0351 -10.0341 -9.5585 -9.5581 -9.5564 -9.5526 -9.5346 -9.5337 -9.4448 -9.4433 -8.7107 -8.7103 -8.7090 -8.7087 -8.6953 -8.6952 -8.6938 -8.6896 -8.6584 -8.6583 -8.5973 -8.5929 -0.6441 -0.6427 0.5706 0.5716 1.4318 1.4450 1.6322 1.6443 1.8711 1.8864 2.0822 2.1036 3.3689 3.3691 3.5374 3.5423 7.1742 7.1761 8.0954 8.1226 8.5786 8.6006 9.3234 9.3592 k =-0.4065 0.4437-0.0000 ( 4352 PWs) bands (ev): -10.0923 -10.0909 -10.0327 -10.0317 -9.5584 -9.5579 -9.5562 -9.5521 -9.5343 -9.5333 -9.4459 -9.4444 -8.7109 -8.7106 -8.7085 -8.7083 -8.6953 -8.6949 -8.6934 -8.6893 -8.6583 -8.6581 -8.5989 -8.5943 -0.6544 -0.6529 0.5438 0.5448 1.4476 1.4623 1.6351 1.6486 1.8782 1.8947 2.0710 2.0937 3.3645 3.3649 3.5932 3.5984 7.2002 7.2026 8.0539 8.0831 8.4596 8.4794 9.1741 9.2126 k =-0.3998 0.4631-0.0000 ( 4352 PWs) bands (ev): -10.0874 -10.0859 -10.0302 -10.0291 -9.5583 -9.5577 -9.5560 -9.5517 -9.5339 -9.5327 -9.4471 -9.4456 -8.7111 -8.7109 -8.7081 -8.7079 -8.6956 -8.6947 -8.6927 -8.6888 -8.6582 -8.6579 -8.6007 -8.5958 -0.6649 -0.6634 0.5160 0.5170 1.4643 1.4806 1.6385 1.6535 1.8853 1.9031 2.0614 2.0853 3.3596 3.3603 3.6504 3.6558 7.2271 7.2302 8.0117 8.0430 8.3411 8.3588 9.0258 9.0669 k =-0.3932 0.4825-0.0000 ( 4356 PWs) bands (ev): -10.0824 -10.0809 -10.0276 -10.0265 -9.5581 -9.5576 -9.5559 -9.5512 -9.5335 -9.5321 -9.4484 -9.4469 -8.7114 -8.7113 -8.7077 -8.7074 -8.6960 -8.6946 -8.6919 -8.6882 -8.6581 -8.6577 -8.6026 -8.5975 -0.6757 -0.6741 0.4874 0.4885 1.4816 1.4997 1.6422 1.6590 1.8924 1.9114 2.0533 2.0783 3.3544 3.3554 3.7087 3.7141 7.2543 7.2584 7.9690 8.0025 8.2237 8.2398 8.8793 8.9231 k =-0.3865 0.5019-0.0000 ( 4354 PWs) bands (ev): -10.0772 -10.0757 -10.0250 -10.0238 -9.5580 -9.5574 -9.5557 -9.5509 -9.5330 -9.5313 -9.4497 -9.4483 -8.7117 -8.7116 -8.7072 -8.7069 -8.6964 -8.6947 -8.6910 -8.6874 -8.6580 -8.6574 -8.6045 -8.5992 -0.6864 -0.6849 0.4583 0.4594 1.4996 1.5197 1.6463 1.6650 1.8995 1.9196 2.0467 2.0727 3.3491 3.3503 3.7677 3.7732 7.2811 7.2865 7.9258 7.9614 8.1091 8.1237 8.7352 8.7820 k =-0.3798 0.5212-0.0000 ( 4356 PWs) bands (ev): -10.0720 -10.0704 -10.0224 -10.0212 -9.5579 -9.5572 -9.5555 -9.5505 -9.5323 -9.5304 -9.4512 -9.4498 -8.7121 -8.7118 -8.7068 -8.7065 -8.6968 -8.6948 -8.6901 -8.6866 -8.6579 -8.6571 -8.6065 -8.6010 -0.6972 -0.6956 0.4288 0.4299 1.5179 1.5404 1.6505 1.6714 1.9064 1.9276 2.0416 2.0684 3.3438 3.3452 3.8273 3.8328 7.3063 7.3135 7.8804 7.9169 8.0017 8.0139 8.5939 8.6441 k =-0.3731 0.5406-0.0000 ( 4352 PWs) bands (ev): -10.0667 -10.0651 -10.0198 -10.0185 -9.5577 -9.5570 -9.5553 -9.5502 -9.5314 -9.5293 -9.4527 -9.4515 -8.7125 -8.7119 -8.7064 -8.7060 -8.6971 -8.6950 -8.6891 -8.6857 -8.6577 -8.6567 -8.6086 -8.6029 -0.7077 -0.7061 0.3992 0.4002 1.5365 1.5617 1.6548 1.6784 1.9132 1.9352 2.0378 2.0653 3.3387 3.3403 3.8873 3.8928 7.3278 7.3374 7.8250 7.8525 7.9204 7.9204 8.4563 8.5102 k =-0.3664 0.5600-0.0000 ( 4348 PWs) bands (ev): -10.0614 -10.0597 -10.0173 -10.0159 -9.5576 -9.5568 -9.5551 -9.5499 -9.5304 -9.5281 -9.4543 -9.4532 -8.7128 -8.7120 -8.7060 -8.7055 -8.6975 -8.6953 -8.6880 -8.6847 -8.6575 -8.6562 -8.6107 -8.6049 -0.7178 -0.7163 0.3697 0.3707 1.5550 1.5835 1.6590 1.6857 1.9197 1.9423 2.0352 2.0633 3.3339 3.3357 3.9475 3.9528 7.3424 7.3547 7.7467 7.7613 7.8600 7.8760 8.3229 8.3811 k =-0.3598 0.5794-0.0000 ( 4352 PWs) bands (ev): -10.0561 -10.0545 -10.0148 -10.0134 -9.5575 -9.5566 -9.5550 -9.5498 -9.5293 -9.5268 -9.4560 -9.4551 -8.7132 -8.7121 -8.7057 -8.7050 -8.6978 -8.6956 -8.6870 -8.6837 -8.6573 -8.6557 -8.6129 -8.6069 -0.7275 -0.7260 0.3404 0.3414 1.5732 1.6058 1.6629 1.6936 1.9258 1.9488 2.0338 2.0621 3.3297 3.3317 4.0076 4.0128 7.3441 7.3587 7.6574 7.6720 7.8263 7.8462 8.1947 8.2577 k =-0.3531 0.5988-0.0000 ( 4348 PWs) bands (ev): -10.0509 -10.0493 -10.0124 -10.0110 -9.5574 -9.5564 -9.5548 -9.5496 -9.5279 -9.5253 -9.4577 -9.4571 -8.7136 -8.7122 -8.7054 -8.7045 -8.6981 -8.6959 -8.6858 -8.6826 -8.6571 -8.6552 -8.6151 -8.6090 -0.7366 -0.7351 0.3117 0.3127 1.5906 1.6282 1.6664 1.7021 1.9315 1.9546 2.0335 2.0616 3.3262 3.3283 4.0674 4.0724 7.3241 7.3380 7.5763 7.6010 7.8088 7.8258 8.0733 8.1411 k =-0.3464 0.6182-0.0000 ( 4352 PWs) bands (ev): -10.0458 -10.0442 -10.0101 -10.0086 -9.5573 -9.5563 -9.5547 -9.5496 -9.5264 -9.5236 -9.4596 -9.4592 -8.7140 -8.7122 -8.7052 -8.7040 -8.6983 -8.6963 -8.6847 -8.6816 -8.6568 -8.6545 -8.6174 -8.6111 -0.7449 -0.7435 0.2837 0.2846 1.6066 1.6504 1.6698 1.7115 1.9367 1.9595 2.0341 2.0617 3.3236 3.3259 4.1265 4.1314 7.2750 7.2847 7.5124 7.5541 7.8058 7.8144 7.9617 8.0328 k =-0.3397 0.6376-0.0000 ( 4354 PWs) bands (ev): -10.0409 -10.0392 -10.0079 -10.0064 -9.5572 -9.5562 -9.5547 -9.5497 -9.5248 -9.5217 -9.4615 -9.4613 -8.7143 -8.7123 -8.7051 -8.7036 -8.6985 -8.6967 -8.6836 -8.6806 -8.6565 -8.6538 -8.6196 -8.6133 -0.7524 -0.7510 0.2565 0.2573 1.6205 1.6662 1.6787 1.7222 1.9412 1.9635 2.0356 2.0624 3.3221 3.3246 4.1847 4.1894 7.2006 7.2065 7.4615 7.5206 7.8021 7.8164 7.8739 7.9344 k =-0.3331 0.6570-0.0000 ( 4348 PWs) bands (ev): -10.0361 -10.0345 -10.0059 -10.0044 -9.5571 -9.5560 -9.5546 -9.5497 -9.5229 -9.5197 -9.4636 -9.4635 -8.7146 -8.7122 -8.7050 -8.7031 -8.6986 -8.6970 -8.6824 -8.6796 -8.6560 -8.6530 -8.6219 -8.6155 -0.7589 -0.7575 0.2304 0.2311 1.6315 1.6687 1.6997 1.7346 1.9450 1.9663 2.0378 2.0634 3.3219 3.3246 4.2416 4.2459 7.1126 7.1165 7.4133 7.4845 7.7456 7.8382 7.8482 7.8571 k =-0.3264 0.6764-0.0000 ( 4355 PWs) bands (ev): -10.0315 -10.0300 -10.0040 -10.0025 -9.5571 -9.5559 -9.5545 -9.5498 -9.5209 -9.5175 -9.4659 -9.4655 -8.7149 -8.7122 -8.7050 -8.7028 -8.6987 -8.6974 -8.6813 -8.6786 -8.6556 -8.6521 -8.6242 -8.6177 -0.7642 -0.7628 0.2055 0.2061 1.6391 1.6680 1.7225 1.7489 1.9479 1.9680 2.0406 2.0647 3.3232 3.3260 4.2966 4.3007 7.0193 7.0224 7.3617 7.4365 7.6796 7.7734 7.8705 7.8791 k =-0.3197 0.6958-0.0000 ( 4363 PWs) bands (ev): -10.0273 -10.0258 -10.0023 -10.0008 -9.5570 -9.5558 -9.5545 -9.5499 -9.5188 -9.5151 -9.4684 -9.4677 -8.7152 -8.7121 -8.7052 -8.7024 -8.6987 -8.6979 -8.6802 -8.6777 -8.6550 -8.6511 -8.6265 -8.6200 -0.7682 -0.7670 0.1819 0.1824 1.6431 1.6652 1.7455 1.7650 1.9497 1.9684 2.0440 2.0663 3.3260 3.3290 4.3494 4.3532 6.9250 6.9280 7.3054 7.3750 7.6297 7.7127 7.9087 7.9131 k =-0.3130 0.7152-0.0000 ( 4353 PWs) bands (ev): -10.0233 -10.0219 -10.0008 -9.9992 -9.5569 -9.5556 -9.5544 -9.5500 -9.5165 -9.5126 -9.4708 -9.4697 -8.7153 -8.7119 -8.7053 -8.7020 -8.6987 -8.6982 -8.6790 -8.6768 -8.6544 -8.6500 -8.6287 -8.6221 -0.7709 -0.7697 0.1598 0.1602 1.6436 1.6605 1.7683 1.7826 1.9502 1.9673 2.0478 2.0682 3.3305 3.3336 4.3993 4.4027 6.8319 6.8350 7.2460 7.3056 7.5950 7.6645 7.9518 7.9538 k =-0.3063 0.7346-0.0000 ( 4353 PWs) bands (ev): -10.0197 -10.0184 -9.9994 -9.9979 -9.5569 -9.5555 -9.5544 -9.5502 -9.5141 -9.5099 -9.4733 -9.4718 -8.7154 -8.7116 -8.7055 -8.7016 -8.6987 -8.6986 -8.6780 -8.6760 -8.6537 -8.6489 -8.6308 -8.6243 -0.7721 -0.7710 0.1393 0.1395 1.6407 1.6537 1.7909 1.8011 1.9494 1.9647 2.0519 2.0704 3.3367 3.3399 4.4457 4.4487 6.7412 6.7445 7.1861 7.2349 7.5708 7.6271 7.9986 7.9992 k =-0.2997 0.7540-0.0000 ( 4343 PWs) bands (ev): -10.0166 -10.0153 -9.9982 -9.9966 -9.5568 -9.5554 -9.5543 -9.5503 -9.5117 -9.5072 -9.4756 -9.4739 -8.7155 -8.7114 -8.7057 -8.7013 -8.6990 -8.6985 -8.6769 -8.6752 -8.6528 -8.6478 -8.6328 -8.6264 -0.7717 -0.7706 0.1205 0.1206 1.6347 1.6447 1.8130 1.8201 1.9469 1.9606 2.0562 2.0728 3.3445 3.3477 4.4879 4.4904 6.6537 6.6573 7.1287 7.1678 7.5541 7.5989 8.0478 8.0480 k =-0.2930 0.7734-0.0000 ( 4355 PWs) bands (ev): -10.0140 -10.0128 -9.9971 -9.9955 -9.5569 -9.5555 -9.5543 -9.5505 -9.5093 -9.5045 -9.4779 -9.4759 -8.7155 -8.7112 -8.7061 -8.7011 -8.6995 -8.6985 -8.6759 -8.6746 -8.6519 -8.6468 -8.6346 -8.6285 -0.7695 -0.7686 0.1035 0.1035 1.6257 1.6334 1.8345 1.8392 1.9428 1.9549 2.0607 2.0755 3.3537 3.3570 4.5251 4.5272 6.5700 6.5739 7.0764 7.1073 7.5431 7.5784 8.0988 8.0993 k =-0.2863 0.7928-0.0000 ( 4363 PWs) bands (ev): -10.0120 -10.0109 -9.9961 -9.9945 -9.5569 -9.5555 -9.5543 -9.5508 -9.5071 -9.5021 -9.4799 -9.4776 -8.7156 -8.7110 -8.7063 -8.7010 -8.6998 -8.6985 -8.6750 -8.6740 -8.6510 -8.6461 -8.6358 -8.6305 -0.7657 -0.7648 0.0882 0.0884 1.6138 1.6198 1.8555 1.8581 1.9370 1.9475 2.0652 2.0785 3.3642 3.3675 4.5567 4.5582 6.4907 6.4949 7.0313 7.0555 7.5372 7.5647 8.1516 8.1521 k =-0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0106 -10.0096 -9.9951 -9.9936 -9.5569 -9.5555 -9.5543 -9.5510 -9.5051 -9.5001 -9.4813 -9.4790 -8.7156 -8.7107 -8.7067 -8.7010 -8.7000 -8.6985 -8.6742 -8.6734 -8.6501 -8.6461 -8.6363 -8.6323 -0.7599 -0.7591 0.0750 0.0752 1.5992 1.6039 1.8756 1.8763 1.9297 1.9385 2.0697 2.0815 3.3757 3.3789 4.5818 4.5827 6.4164 6.4208 6.9951 7.0137 7.5359 7.5569 8.2057 8.2059 k =-0.2796 0.8122-0.0000 ( 4369 PWs) bands (ev): -10.0106 -10.0096 -9.9951 -9.9936 -9.5569 -9.5555 -9.5543 -9.5510 -9.5051 -9.5001 -9.4813 -9.4790 -8.7156 -8.7107 -8.7067 -8.7010 -8.7000 -8.6985 -8.6742 -8.6734 -8.6501 -8.6461 -8.6363 -8.6323 -0.7599 -0.7591 0.0750 0.0752 1.5992 1.6039 1.8756 1.8763 1.9297 1.9385 2.0697 2.0815 3.3757 3.3789 4.5818 4.5827 6.4164 6.4208 6.9951 7.0137 7.5359 7.5569 8.2057 8.2059 k =-0.2796 0.8122 0.0204 ( 4369 PWs) bands (ev): -10.0108 -10.0098 -9.9953 -9.9938 -9.5569 -9.5556 -9.5541 -9.5509 -9.5050 -9.5000 -9.4811 -9.4788 -8.7155 -8.7107 -8.7065 -8.7011 -8.6999 -8.6985 -8.6742 -8.6735 -8.6500 -8.6461 -8.6362 -8.6322 -0.7587 -0.7579 0.0757 0.0760 1.5958 1.6005 1.8767 1.8771 1.9280 1.9365 2.0692 2.0809 3.3759 3.3791 4.5758 4.5768 6.4172 6.4216 6.9991 7.0175 7.5412 7.5620 8.2027 8.2030 k =-0.2796 0.8122 0.0409 ( 4363 PWs) bands (ev): -10.0114 -10.0104 -9.9959 -9.9944 -9.5568 -9.5557 -9.5537 -9.5506 -9.5047 -9.4997 -9.4804 -9.4783 -8.7153 -8.7107 -8.7061 -8.7011 -8.6996 -8.6984 -8.6741 -8.6735 -8.6499 -8.6459 -8.6358 -8.6318 -0.7549 -0.7541 0.0779 0.0782 1.5859 1.5904 1.8795 1.8796 1.9230 1.9307 2.0678 2.0791 3.3767 3.3798 4.5581 4.5591 6.4195 6.4240 7.0109 7.0288 7.5569 7.5771 8.1941 8.1946 k =-0.2796 0.8122 0.0613 ( 4361 PWs) bands (ev): -10.0123 -10.0114 -9.9969 -9.9954 -9.5568 -9.5558 -9.5532 -9.5501 -9.5041 -9.4993 -9.4794 -9.4774 -8.7149 -8.7107 -8.7054 -8.7012 -8.6991 -8.6984 -8.6740 -8.6736 -8.6498 -8.6456 -8.6351 -8.6311 -0.7486 -0.7479 0.0815 0.0818 1.5700 1.5743 1.8824 1.8837 1.9155 1.9215 2.0652 2.0759 3.3777 3.3808 4.5292 4.5303 6.4233 6.4279 7.0305 7.0474 7.5822 7.6016 8.1810 8.1818 k =-0.2796 0.8122 0.0817 ( 4351 PWs) bands (ev): -10.0136 -10.0128 -9.9982 -9.9968 -9.5567 -9.5559 -9.5525 -9.5495 -9.5034 -9.4986 -9.4780 -9.4761 -8.7144 -8.7106 -8.7045 -8.7012 -8.6985 -8.6983 -8.6738 -8.6737 -8.6495 -8.6452 -8.6343 -8.6303 -0.7399 -0.7391 0.0865 0.0868 1.5488 1.5529 1.8828 1.8874 1.9081 1.9102 2.0614 2.0713 3.3789 3.3820 4.4900 4.4913 6.4286 6.4333 7.0576 7.0732 7.6161 7.6344 8.1651 8.1663 k =-0.2796 0.8122 0.1022 ( 4347 PWs) bands (ev): -10.0153 -10.0145 -9.9999 -9.9986 -9.5567 -9.5559 -9.5516 -9.5488 -9.5024 -9.4978 -9.4763 -9.4745 -8.7137 -8.7105 -8.7036 -8.7011 -8.6981 -8.6979 -8.6738 -8.6737 -8.6491 -8.6446 -8.6332 -8.6292 -0.7286 -0.7278 0.0930 0.0932 1.5230 1.5269 1.8750 1.8838 1.9036 1.9064 2.0559 2.0651 3.3800 3.3829 4.4418 4.4432 6.4354 6.4402 7.0916 7.1059 7.6572 7.6742 8.1481 8.1498 k =-0.2796 0.8122 0.1226 ( 4351 PWs) bands (ev): -10.0173 -10.0165 -10.0020 -10.0007 -9.5566 -9.5560 -9.5507 -9.5480 -9.5012 -9.4968 -9.4742 -9.4727 -8.7130 -8.7103 -8.7026 -8.7011 -8.6979 -8.6972 -8.6740 -8.6736 -8.6485 -8.6439 -8.6320 -8.6280 -0.7148 -0.7141 0.1008 0.1010 1.4934 1.4971 1.8595 1.8681 1.9064 1.9097 2.0488 2.0571 3.3805 3.3833 4.3858 4.3873 6.4436 6.4486 7.1323 7.1451 7.7040 7.7196 8.1318 8.1340 k =-0.2796 0.8122 0.1430 ( 4353 PWs) bands (ev): -10.0195 -10.0189 -10.0043 -10.0032 -9.5565 -9.5561 -9.5498 -9.5471 -9.4998 -9.4956 -9.4719 -9.4706 -8.7122 -8.7100 -8.7016 -8.7009 -8.6976 -8.6965 -8.6743 -8.6736 -8.6477 -8.6429 -8.6306 -8.6267 -0.6986 -0.6978 0.1098 0.1101 1.4607 1.4642 1.8399 1.8476 1.9114 1.9145 2.0399 2.0474 3.3802 3.3829 4.3234 4.3250 6.4533 6.4585 7.1790 7.1904 7.7545 7.7687 8.1176 8.1204 k =-0.2796 0.8122 0.1635 ( 4354 PWs) bands (ev): -10.0221 -10.0215 -10.0070 -10.0060 -9.5564 -9.5561 -9.5488 -9.5462 -9.4982 -9.4941 -9.4694 -9.4682 -8.7114 -8.7096 -8.7008 -8.7006 -8.6970 -8.6957 -8.6746 -8.6736 -8.6466 -8.6418 -8.6290 -8.6252 -0.6799 -0.6791 0.1202 0.1204 1.4253 1.4286 1.8178 1.8246 1.9162 1.9192 2.0291 2.0357 3.3787 3.3812 4.2559 4.2576 6.4645 6.4698 7.2314 7.2413 7.8071 7.8198 8.1070 8.1104 k =-0.2796 0.8122 0.1839 ( 4357 PWs) bands (ev): -10.0248 -10.0243 -10.0099 -10.0090 -9.5564 -9.5561 -9.5478 -9.5453 -9.4963 -9.4924 -9.4666 -9.4657 -8.7105 -8.7093 -8.7002 -8.7002 -8.6961 -8.6949 -8.6749 -8.6737 -8.6453 -8.6404 -8.6274 -8.6236 -0.6587 -0.6579 0.1317 0.1319 1.3877 1.3908 1.7938 1.7998 1.9201 1.9232 2.0167 2.0223 3.3757 3.3781 4.1845 4.1863 6.4771 6.4827 7.2887 7.2971 7.8598 7.8709 8.1012 8.1053 k =-0.2796 0.8122 0.2043 ( 4358 PWs) bands (ev): -10.0278 -10.0274 -10.0131 -10.0123 -9.5563 -9.5561 -9.5468 -9.5444 -9.4941 -9.4905 -9.4637 -9.4630 -8.7098 -8.7089 -8.6997 -8.6997 -8.6950 -8.6941 -8.6751 -8.6737 -8.6436 -8.6388 -8.6256 -8.6218 -0.6351 -0.6342 0.1443 0.1445 1.3485 1.3515 1.7685 1.7738 1.9222 1.9257 2.0029 2.0075 3.3709 3.3731 4.1105 4.1124 6.4913 6.4970 7.3503 7.3573 7.9105 7.9200 8.1014 8.1062 k =-0.2796 0.8122 0.2248 ( 4360 PWs) bands (ev): -10.0309 -10.0306 -10.0164 -10.0157 -9.5562 -9.5561 -9.5459 -9.5436 -9.4917 -9.4884 -9.4607 -9.4601 -8.7090 -8.7085 -8.6993 -8.6991 -8.6938 -8.6933 -8.6753 -8.6738 -8.6418 -8.6370 -8.6236 -8.6200 -0.6090 -0.6081 0.1579 0.1580 1.3080 1.3108 1.7422 1.7470 1.9213 1.9254 1.9889 1.9922 3.3642 3.3661 4.0350 4.0370 6.5070 6.5129 7.4155 7.4211 7.9571 7.9649 8.1087 8.1143 k =-0.2796 0.8122 0.2452 ( 4360 PWs) bands (ev): -10.0342 -10.0339 -10.0200 -10.0194 -9.5561 -9.5560 -9.5450 -9.5428 -9.4892 -9.4860 -9.4576 -9.4571 -8.7085 -8.7081 -8.6990 -8.6984 -8.6925 -8.6925 -8.6755 -8.6738 -8.6397 -8.6351 -8.6216 -8.6181 -0.5805 -0.5796 0.1724 0.1725 1.2666 1.2693 1.7154 1.7196 1.9150 1.9200 1.9768 1.9787 3.3552 3.3570 3.9590 3.9610 6.5245 6.5306 7.4835 7.4877 7.9978 8.0040 8.1238 8.1301 k =-0.2796 0.8122 0.2656 ( 4358 PWs) bands (ev): -10.0376 -10.0374 -10.0236 -10.0231 -9.5560 -9.5559 -9.5442 -9.5421 -9.4864 -9.4835 -9.4544 -9.4541 -8.7080 -8.7078 -8.6986 -8.6976 -8.6916 -8.6912 -8.6755 -8.6738 -8.6373 -8.6330 -8.6194 -8.6161 -0.5496 -0.5487 0.1878 0.1878 1.2247 1.2273 1.6883 1.6920 1.9010 1.9065 1.9688 1.9698 3.3440 3.3457 3.8835 3.8854 6.5437 6.5500 7.5535 7.5562 8.0324 8.0373 8.1461 8.1526 k =-0.2796 0.8122 0.2861 ( 4356 PWs) bands (ev): -10.0410 -10.0408 -10.0274 -10.0270 -9.5559 -9.5557 -9.5434 -9.5415 -9.4834 -9.4808 -9.4511 -9.4510 -8.7076 -8.7075 -8.6983 -8.6969 -8.6907 -8.6899 -8.6755 -8.6738 -8.6348 -8.6308 -8.6171 -8.6141 -0.5163 -0.5154 0.2038 0.2038 1.1826 1.1850 1.6613 1.6646 1.8795 1.8847 1.9646 1.9653 3.3306 3.3321 3.8091 3.8111 6.5648 6.5712 7.6244 7.6256 8.0625 8.0666 8.1731 8.1793 k =-0.2796 0.8122 0.3065 ( 4358 PWs) bands (ev): -10.0444 -10.0443 -10.0312 -10.0309 -9.5558 -9.5555 -9.5427 -9.5410 -9.4804 -9.4779 -9.4479 -9.4479 -8.7073 -8.7072 -8.6980 -8.6963 -8.6898 -8.6886 -8.6753 -8.6736 -8.6321 -8.6285 -8.6148 -8.6119 -0.4807 -0.4798 0.2203 0.2203 1.1405 1.1429 1.6346 1.6373 1.8522 1.8569 1.9624 1.9631 3.3151 3.3163 3.7367 3.7386 6.5880 6.5945 7.6945 7.6949 8.0905 8.0941 8.2020 8.2072 k =-0.2796 0.8122 0.3269 ( 4361 PWs) bands (ev): -10.0479 -10.0478 -10.0350 -10.0348 -9.5556 -9.5554 -9.5422 -9.5406 -9.4772 -9.4750 -9.4449 -9.4448 -8.7070 -8.7070 -8.6978 -8.6958 -8.6888 -8.6875 -8.6750 -8.6734 -8.6293 -8.6261 -8.6123 -8.6098 -0.4427 -0.4418 0.2372 0.2373 1.0988 1.1011 1.6083 1.6105 1.8207 1.8248 1.9606 1.9614 3.2975 3.2986 3.6669 3.6688 6.6132 6.6199 7.7613 7.7637 8.1179 8.1212 8.2309 8.2348 k =-0.2796 0.8122 0.3474 ( 4358 PWs) bands (ev): -10.0513 -10.0512 -10.0389 -10.0387 -9.5555 -9.5552 -9.5417 -9.5402 -9.4740 -9.4720 -9.4419 -9.4416 -8.7068 -8.7068 -8.6976 -8.6956 -8.6878 -8.6864 -8.6745 -8.6731 -8.6263 -8.6236 -8.6097 -8.6075 -0.4025 -0.4015 0.2544 0.2545 1.0576 1.0599 1.5823 1.5839 1.7862 1.7896 1.9585 1.9595 3.2782 3.2792 3.6001 3.6020 6.6407 6.6474 7.8242 7.8287 8.1451 8.1479 8.2602 8.2626 k =-0.2796 0.8122 0.3678 ( 4358 PWs) bands (ev): -10.0547 -10.0545 -10.0427 -10.0426 -9.5553 -9.5550 -9.5413 -9.5399 -9.4707 -9.4690 -9.4389 -9.4386 -8.7067 -8.7066 -8.6975 -8.6955 -8.6867 -8.6854 -8.6739 -8.6726 -8.6233 -8.6210 -8.6072 -8.6054 -0.3600 -0.3590 0.2716 0.2718 1.0173 1.0196 1.5563 1.5572 1.7497 1.7523 1.9557 1.9567 3.2575 3.2583 3.5369 3.5386 6.6705 6.6773 7.8804 7.8874 8.1715 8.1736 8.2915 8.2922 k =-0.2796 0.8122 0.3882 ( 4360 PWs) bands (ev): -10.0580 -10.0578 -10.0465 -10.0464 -9.5551 -9.5548 -9.5409 -9.5397 -9.4674 -9.4659 -9.4361 -9.4357 -8.7065 -8.7065 -8.6974 -8.6955 -8.6857 -8.6845 -8.6733 -8.6721 -8.6202 -8.6184 -8.6047 -8.6032 -0.3153 -0.3142 0.2888 0.2891 0.9780 0.9803 1.5294 1.5295 1.7126 1.7143 1.9517 1.9528 3.2356 3.2363 3.4774 3.4791 6.7025 6.7094 7.9265 7.9360 8.1975 8.1987 8.3259 8.3267 k =-0.2796 0.8122 0.4086 ( 4358 PWs) bands (ev): -10.0612 -10.0609 -10.0502 -10.0501 -9.5549 -9.5546 -9.5406 -9.5395 -9.4642 -9.4629 -9.4334 -9.4330 -8.7064 -8.7063 -8.6975 -8.6957 -8.6846 -8.6836 -8.6725 -8.6714 -8.6170 -8.6158 -8.6022 -8.6011 -0.2685 -0.2674 0.3058 0.3062 0.9400 0.9422 1.4993 1.5002 1.6769 1.6775 1.9463 1.9475 3.2131 3.2137 3.4220 3.4237 6.7369 6.7439 7.9590 7.9707 8.2249 8.2252 8.3644 8.3666 k =-0.2796 0.8122 0.4291 ( 4352 PWs) bands (ev): -10.0642 -10.0639 -10.0538 -10.0536 -9.5547 -9.5543 -9.5404 -9.5394 -9.4611 -9.4599 -9.4308 -9.4303 -8.7063 -8.7062 -8.6976 -8.6960 -8.6836 -8.6828 -8.6717 -8.6707 -8.6139 -8.6131 -8.5998 -8.5990 -0.2196 -0.2184 0.3225 0.3230 0.9033 0.9055 1.4647 1.4666 1.6445 1.6450 1.9395 1.9408 3.1902 3.1908 3.3708 3.3724 6.7737 6.7806 7.9752 7.9881 8.2559 8.2562 8.4072 8.4106 k =-0.2796 0.8122 0.4495 ( 4346 PWs) bands (ev): -10.0670 -10.0667 -10.0573 -10.0570 -9.5545 -9.5541 -9.5402 -9.5393 -9.4580 -9.4570 -9.4284 -9.4278 -8.7061 -8.7060 -8.6977 -8.6964 -8.6827 -8.6820 -8.6708 -8.6700 -8.6108 -8.6104 -8.5975 -8.5970 -0.1687 -0.1675 0.3387 0.3393 0.8682 0.8704 1.4239 1.4267 1.6178 1.6192 1.9310 1.9324 3.1676 3.1680 3.3237 3.3253 6.8127 6.8197 7.9753 7.9884 8.2914 8.2922 8.4529 8.4571 k =-0.2796 0.8122 0.4699 ( 4346 PWs) bands (ev): -10.0697 -10.0693 -10.0606 -10.0603 -9.5543 -9.5539 -9.5401 -9.5393 -9.4551 -9.4542 -9.4261 -9.4256 -8.7060 -8.7059 -8.6980 -8.6968 -8.6818 -8.6813 -8.6700 -8.6693 -8.6078 -8.6077 -8.5953 -8.5951 -0.1159 -0.1146 0.3544 0.3551 0.8347 0.8371 1.3763 1.3797 1.5985 1.6005 1.9207 1.9222 3.1454 3.1458 3.2809 3.2823 6.8540 6.8610 7.9616 7.9744 8.3299 8.3317 8.4995 8.5044 k =-0.2796 0.8122 0.4904 ( 4346 PWs) bands (ev): -10.0721 -10.0717 -10.0637 -10.0634 -9.5541 -9.5537 -9.5400 -9.5393 -9.4524 -9.4516 -9.4240 -9.4235 -8.7058 -8.7057 -8.6983 -8.6973 -8.6810 -8.6806 -8.6692 -8.6686 -8.6053 -8.6048 -8.5934 -8.5932 -0.0614 -0.0600 0.3694 0.3702 0.8031 0.8056 1.3226 1.3263 1.5865 1.5888 1.9086 1.9102 3.1243 3.1247 3.2421 3.2434 6.8973 6.9044 7.9372 7.9493 8.3699 8.3726 8.5453 8.5507 k =-0.2796 0.8122 0.5108 ( 4352 PWs) bands (ev): -10.0744 -10.0740 -10.0666 -10.0662 -9.5539 -9.5535 -9.5399 -9.5393 -9.4498 -9.4492 -9.4221 -9.4216 -8.7057 -8.7056 -8.6986 -8.6978 -8.6803 -8.6801 -8.6686 -8.6680 -8.6028 -8.6020 -8.5918 -8.5913 -0.0054 -0.0038 0.3837 0.3847 0.7735 0.7761 1.2639 1.2678 1.5808 1.5832 1.8947 1.8963 3.1046 3.1049 3.2072 3.2085 6.9427 6.9498 7.9045 7.9159 8.4098 8.4132 8.5888 8.5945 k =-0.2796 0.8122 0.5312 ( 4348 PWs) bands (ev): -10.0764 -10.0760 -10.0692 -10.0689 -9.5537 -9.5533 -9.5399 -9.5394 -9.4474 -9.4469 -9.4204 -9.4199 -8.7056 -8.7054 -8.6989 -8.6982 -8.6796 -8.6795 -8.6679 -8.6674 -8.6004 -8.5994 -8.5904 -8.5896 0.0521 0.0538 0.3972 0.3984 0.7461 0.7489 1.2017 1.2057 1.5805 1.5829 1.8789 1.8806 3.0866 3.0869 3.1762 3.1774 6.9899 6.9970 7.8655 7.8763 8.4485 8.4525 8.6289 8.6346 k =-0.2796 0.8122 0.5517 ( 4344 PWs) bands (ev): -10.0781 -10.0777 -10.0717 -10.0713 -9.5535 -9.5532 -9.5398 -9.5394 -9.4452 -9.4448 -9.4188 -9.4184 -8.7054 -8.7053 -8.6992 -8.6987 -8.6790 -8.6790 -8.6673 -8.6669 -8.5981 -8.5968 -8.5892 -8.5882 0.1105 0.1124 0.4100 0.4114 0.7211 0.7242 1.1369 1.1410 1.5848 1.5872 1.8615 1.8632 3.0705 3.0708 3.1488 3.1499 7.0388 7.0459 7.8218 7.8320 8.4852 8.4895 8.6645 8.6701 k =-0.2796 0.8122 0.5721 ( 4339 PWs) bands (ev): -10.0797 -10.0792 -10.0738 -10.0734 -9.5533 -9.5530 -9.5398 -9.5394 -9.4433 -9.4430 -9.4175 -9.4171 -8.7052 -8.7051 -8.6996 -8.6991 -8.6785 -8.6785 -8.6667 -8.6664 -8.5960 -8.5945 -8.5882 -8.5870 0.1695 0.1717 0.4219 0.4235 0.6989 0.7023 1.0706 1.0747 1.5930 1.5954 1.8424 1.8442 3.0567 3.0570 3.1250 3.1261 7.0891 7.0962 7.7745 7.7841 8.5192 8.5236 8.6952 8.7006 k =-0.2796 0.8122 0.5925 ( 4337 PWs) bands (ev): -10.0809 -10.0805 -10.0757 -10.0753 -9.5531 -9.5529 -9.5398 -9.5395 -9.4417 -9.4414 -9.4164 -9.4160 -8.7050 -8.7049 -8.6999 -8.6996 -8.6781 -8.6781 -8.6662 -8.6660 -8.5941 -8.5924 -8.5874 -8.5860 0.2283 0.2309 0.4328 0.4347 0.6800 0.6839 1.0036 1.0078 1.6046 1.6069 1.8220 1.8238 3.0453 3.0456 3.1047 3.1056 7.1405 7.1475 7.7247 7.7338 8.5498 8.5540 8.7207 8.7257 k =-0.2796 0.8122 0.6130 ( 4337 PWs) bands (ev): -10.0819 -10.0815 -10.0773 -10.0769 -9.5530 -9.5528 -9.5398 -9.5396 -9.4403 -9.4401 -9.4155 -9.4152 -8.7049 -8.7048 -8.7002 -8.6999 -8.6777 -8.6777 -8.6658 -8.6657 -8.5923 -8.5905 -8.5869 -8.5854 0.2857 0.2888 0.4425 0.4447 0.6654 0.6700 0.9368 0.9413 1.6190 1.6212 1.8007 1.8025 3.0362 3.0365 3.0878 3.0886 7.1924 7.1994 7.6735 7.6821 8.5764 8.5802 8.7410 8.7454 k =-0.2796 0.8122 0.6334 ( 4336 PWs) bands (ev): -10.0826 -10.0823 -10.0785 -10.0782 -9.5528 -9.5527 -9.5398 -9.5396 -9.4392 -9.4391 -9.4147 -9.4145 -8.7047 -8.7046 -8.7004 -8.7003 -8.6775 -8.6774 -8.6656 -8.6654 -8.5908 -8.5889 -8.5867 -8.5850 0.3396 0.3433 0.4504 0.4529 0.6570 0.6624 0.8715 0.8763 1.6356 1.6377 1.7790 1.7807 3.0295 3.0297 3.0744 3.0750 7.2439 7.2508 7.6223 7.6303 8.5983 8.6015 8.7562 8.7599 k =-0.2796 0.8122 0.6538 ( 4336 PWs) bands (ev): -10.0831 -10.0828 -10.0794 -10.0792 -9.5527 -9.5526 -9.5398 -9.5397 -9.4384 -9.4383 -9.4142 -9.4140 -8.7046 -8.7045 -8.7006 -8.7005 -8.6773 -8.6773 -8.6653 -8.6653 -8.5894 -8.5876 -8.5866 -8.5849 0.3866 0.3909 0.4555 0.4585 0.6579 0.6641 0.8093 0.8146 1.6533 1.6552 1.7577 1.7594 3.0250 3.0252 3.0646 3.0650 7.2933 7.2995 7.5735 7.5805 8.6148 8.6172 8.7669 8.7695 k =-0.2796 0.8122 0.6743 ( 4322 PWs) bands (ev): -10.0833 -10.0832 -10.0799 -10.0798 -9.5526 -9.5526 -9.5397 -9.5397 -9.4379 -9.4378 -9.4138 -9.4137 -8.7044 -8.7044 -8.7007 -8.7007 -8.6771 -8.6771 -8.6652 -8.6651 -8.5883 -8.5871 -8.5862 -8.5850 0.4219 0.4261 0.4563 0.4596 0.6723 0.6789 0.7534 0.7592 1.6701 1.6715 1.7391 1.7405 3.0225 3.0226 3.0586 3.0588 7.3353 7.3398 7.5331 7.5380 8.6253 8.6266 8.7734 8.7748 k =-0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0834 -10.0833 -10.0801 -10.0800 -9.5526 -9.5526 -9.5397 -9.5397 -9.4377 -9.4377 -9.4137 -9.4137 -8.7044 -8.7044 -8.7008 -8.7008 -8.6771 -8.6771 -8.6651 -8.6651 -8.5876 -8.5876 -8.5855 -8.5855 0.4396 0.4396 0.4553 0.4553 0.6981 0.6981 0.7192 0.7192 1.6790 1.6792 1.7307 1.7309 3.0217 3.0218 3.0566 3.0567 7.3560 7.3560 7.5171 7.5171 8.6293 8.6294 8.7759 8.7760 k =-0.2796 0.8122 0.6947 ( 4332 PWs) bands (ev): -10.0834 -10.0833 -10.0801 -10.0800 -9.5526 -9.5526 -9.5397 -9.5397 -9.4377 -9.4377 -9.4137 -9.4137 -8.7044 -8.7044 -8.7008 -8.7008 -8.6771 -8.6771 -8.6651 -8.6651 -8.5876 -8.5876 -8.5855 -8.5855 0.4396 0.4396 0.4553 0.4553 0.6981 0.6981 0.7192 0.7192 1.6790 1.6792 1.7307 1.7309 3.0217 3.0218 3.0566 3.0567 7.3560 7.3560 7.5171 7.5171 8.6293 8.6294 8.7759 8.7760 k =-0.2863 0.7928 0.6947 ( 4332 PWs) bands (ev): -10.0819 -10.0818 -10.0793 -10.0792 -9.5528 -9.5527 -9.5398 -9.5398 -9.4382 -9.4382 -9.4158 -9.4158 -8.7045 -8.7045 -8.7010 -8.7010 -8.6769 -8.6768 -8.6653 -8.6653 -8.5894 -8.5894 -8.5873 -8.5873 0.3866 0.3867 0.4001 0.4002 0.7218 0.7219 0.7425 0.7426 1.7111 1.7112 1.7639 1.7641 3.0603 3.0604 3.0964 3.0964 7.3103 7.3103 7.4698 7.4699 8.6466 8.6467 8.7906 8.7907 k =-0.2930 0.7734 0.6947 ( 4332 PWs) bands (ev): -10.0802 -10.0802 -10.0783 -10.0782 -9.5529 -9.5529 -9.5399 -9.5399 -9.4390 -9.4390 -9.4180 -9.4180 -8.7045 -8.7045 -8.7012 -8.7012 -8.6766 -8.6766 -8.6655 -8.6655 -8.5915 -8.5915 -8.5892 -8.5892 0.3304 0.3304 0.3425 0.3426 0.7501 0.7502 0.7706 0.7707 1.7436 1.7438 1.7973 1.7975 3.1011 3.1011 3.1381 3.1382 7.2646 7.2646 7.4225 7.4225 8.6640 8.6641 8.8049 8.8050 k =-0.2997 0.7540 0.6947 ( 4332 PWs) bands (ev): -10.0785 -10.0784 -10.0771 -10.0770 -9.5530 -9.5530 -9.5400 -9.5399 -9.4400 -9.4399 -9.4205 -9.4205 -8.7045 -8.7045 -8.7015 -8.7015 -8.6764 -8.6764 -8.6658 -8.6658 -8.5939 -8.5939 -8.5912 -8.5912 0.2729 0.2729 0.2841 0.2842 0.7815 0.7816 0.8021 0.8021 1.7761 1.7763 1.8304 1.8306 3.1438 3.1439 3.1817 3.1818 7.2191 7.2192 7.3751 7.3752 8.6814 8.6815 8.8186 8.8187 k =-0.3063 0.7346 0.6947 ( 4332 PWs) bands (ev): -10.0767 -10.0767 -10.0757 -10.0756 -9.5532 -9.5532 -9.5400 -9.5400 -9.4412 -9.4411 -9.4231 -9.4231 -8.7045 -8.7045 -8.7018 -8.7018 -8.6762 -8.6762 -8.6662 -8.6662 -8.5966 -8.5965 -8.5935 -8.5934 0.2151 0.2152 0.2257 0.2257 0.8155 0.8156 0.8362 0.8362 1.8082 1.8084 1.8628 1.8630 3.1883 3.1884 3.2270 3.2271 7.1741 7.1741 7.3280 7.3280 8.6987 8.6988 8.8317 8.8318 k =-0.3130 0.7152 0.6947 ( 4328 PWs) bands (ev): -10.0751 -10.0750 -10.0739 -10.0738 -9.5534 -9.5534 -9.5401 -9.5401 -9.4426 -9.4426 -9.4260 -9.4259 -8.7045 -8.7045 -8.7021 -8.7021 -8.6760 -8.6760 -8.6666 -8.6666 -8.5994 -8.5994 -8.5959 -8.5958 0.1577 0.1578 0.1677 0.1678 0.8517 0.8518 0.8726 0.8727 1.8395 1.8396 1.8943 1.8944 3.2343 3.2344 3.2737 3.2737 7.1295 7.1296 7.2813 7.2813 8.7158 8.7160 8.8439 8.8440 k =-0.3197 0.6958 0.6947 ( 4338 PWs) bands (ev): -10.0735 -10.0734 -10.0718 -10.0718 -9.5536 -9.5536 -9.5403 -9.5403 -9.4443 -9.4442 -9.4290 -9.4290 -8.7045 -8.7045 -8.7025 -8.7025 -8.6759 -8.6759 -8.6672 -8.6671 -8.6024 -8.6024 -8.5985 -8.5985 0.1011 0.1012 0.1106 0.1107 0.8901 0.8902 0.9112 0.9113 1.8697 1.8699 1.9245 1.9247 3.2816 3.2817 3.3215 3.3215 7.0857 7.0858 7.2351 7.2351 8.7327 8.7328 8.8553 8.8554 k =-0.3264 0.6764 0.6947 ( 4340 PWs) bands (ev): -10.0718 -10.0717 -10.0696 -10.0695 -9.5538 -9.5538 -9.5404 -9.5404 -9.4461 -9.4461 -9.4321 -9.4321 -8.7045 -8.7045 -8.7028 -8.7028 -8.6758 -8.6758 -8.6677 -8.6677 -8.6055 -8.6055 -8.6012 -8.6012 0.0456 0.0457 0.0547 0.0547 0.9304 0.9305 0.9519 0.9520 1.8986 1.8988 1.9534 1.9536 3.3299 3.3300 3.3701 3.3702 7.0428 7.0428 7.1896 7.1896 8.7493 8.7494 8.8656 8.8657 k =-0.3331 0.6570 0.6947 ( 4340 PWs) bands (ev): -10.0700 -10.0699 -10.0672 -10.0672 -9.5541 -9.5541 -9.5406 -9.5406 -9.4481 -9.4481 -9.4353 -9.4353 -8.7044 -8.7044 -8.7032 -8.7032 -8.6756 -8.6756 -8.6683 -8.6683 -8.6086 -8.6086 -8.6040 -8.6040 -0.0087 -0.0086 -0.0000 0.0001 0.9726 0.9727 0.9946 0.9946 1.9262 1.9264 1.9808 1.9809 3.3788 3.3788 3.4193 3.4193 7.0010 7.0010 7.1450 7.1450 8.7655 8.7657 8.8749 8.8750 k =-0.3397 0.6376 0.6947 ( 4348 PWs) bands (ev): -10.0681 -10.0680 -10.0648 -10.0647 -9.5544 -9.5544 -9.5408 -9.5408 -9.4504 -9.4503 -9.4387 -9.4387 -8.7045 -8.7045 -8.7036 -8.7036 -8.6756 -8.6756 -8.6691 -8.6691 -8.6119 -8.6119 -8.6070 -8.6070 -0.0615 -0.0614 -0.0532 -0.0532 1.0166 1.0167 1.0391 1.0392 1.9522 1.9523 2.0065 2.0067 3.4278 3.4279 3.4685 3.4686 6.9604 6.9604 7.1014 7.1014 8.7815 8.7816 8.8832 8.8833 k =-0.3464 0.6182 0.6947 ( 4340 PWs) bands (ev): -10.0660 -10.0659 -10.0622 -10.0622 -9.5546 -9.5546 -9.5410 -9.5410 -9.4527 -9.4527 -9.4421 -9.4421 -8.7046 -8.7046 -8.7038 -8.7038 -8.6755 -8.6754 -8.6698 -8.6698 -8.6151 -8.6151 -8.6100 -8.6100 -0.1127 -0.1127 -0.1049 -0.1048 1.0623 1.0624 1.0853 1.0854 1.9765 1.9767 2.0307 2.0309 3.4768 3.4769 3.5175 3.5176 6.9212 6.9212 7.0591 7.0591 8.7972 8.7973 8.8905 8.8906 k =-0.3531 0.5988 0.6947 ( 4348 PWs) bands (ev): -10.0639 -10.0638 -10.0597 -10.0596 -9.5550 -9.5549 -9.5413 -9.5412 -9.4553 -9.4553 -9.4457 -9.4457 -8.7049 -8.7049 -8.7040 -8.7040 -8.6754 -8.6754 -8.6707 -8.6707 -8.6184 -8.6184 -8.6132 -8.6132 -0.1623 -0.1622 -0.1548 -0.1547 1.1095 1.1096 1.1332 1.1333 1.9992 1.9994 2.0531 2.0533 3.5251 3.5252 3.5658 3.5659 6.8837 6.8837 7.0181 7.0181 8.8126 8.8127 8.8969 8.8970 k =-0.3598 0.5794 0.6947 ( 4356 PWs) bands (ev): -10.0617 -10.0616 -10.0570 -10.0569 -9.5553 -9.5553 -9.5415 -9.5415 -9.4580 -9.4580 -9.4493 -9.4493 -8.7053 -8.7053 -8.7040 -8.7040 -8.6755 -8.6755 -8.6716 -8.6716 -8.6216 -8.6216 -8.6164 -8.6164 -0.2101 -0.2100 -0.2030 -0.2029 1.1582 1.1583 1.1826 1.1827 2.0203 2.0204 2.0739 2.0741 3.5724 3.5725 3.6130 3.6131 6.8479 6.8479 6.9787 6.9787 8.8280 8.8281 8.9025 8.9026 k =-0.3664 0.5600 0.6947 ( 4352 PWs) bands (ev): -10.0594 -10.0594 -10.0543 -10.0543 -9.5556 -9.5556 -9.5418 -9.5418 -9.4608 -9.4608 -9.4528 -9.4528 -8.7058 -8.7058 -8.7039 -8.7039 -8.6755 -8.6755 -8.6724 -8.6724 -8.6247 -8.6247 -8.6196 -8.6196 -0.2560 -0.2559 -0.2492 -0.2492 1.2082 1.2083 1.2334 1.2335 2.0396 2.0398 2.0931 2.0933 3.6181 3.6183 3.6586 3.6587 6.8141 6.8141 6.9410 6.9410 8.8434 8.8436 8.9076 8.9077 k =-0.3731 0.5406 0.6947 ( 4356 PWs) bands (ev): -10.0571 -10.0570 -10.0517 -10.0516 -9.5559 -9.5559 -9.5421 -9.5421 -9.4637 -9.4636 -9.4564 -9.4564 -8.7062 -8.7062 -8.7039 -8.7039 -8.6758 -8.6758 -8.6732 -8.6732 -8.6278 -8.6278 -8.6229 -8.6229 -0.3000 -0.2999 -0.2936 -0.2935 1.2592 1.2593 1.2853 1.2854 2.0573 2.0575 2.1107 2.1109 3.6620 3.6621 3.7021 3.7022 6.7825 6.7825 6.9051 6.9051 8.8591 8.8592 8.9123 8.9124 k =-0.3798 0.5212 0.6947 ( 4352 PWs) bands (ev): -10.0547 -10.0546 -10.0490 -10.0489 -9.5562 -9.5562 -9.5425 -9.5425 -9.4666 -9.4666 -9.4600 -9.4600 -8.7067 -8.7067 -8.7038 -8.7038 -8.6764 -8.6764 -8.6738 -8.6738 -8.6307 -8.6307 -8.6260 -8.6260 -0.3419 -0.3419 -0.3359 -0.3358 1.3111 1.3112 1.3383 1.3384 2.0734 2.0736 2.1267 2.1269 3.7035 3.7036 3.7432 3.7433 6.7531 6.7531 6.8712 6.8712 8.8751 8.8752 8.9170 8.9171 k =-0.3865 0.5019 0.6947 ( 4344 PWs) bands (ev): -10.0523 -10.0522 -10.0463 -10.0462 -9.5565 -9.5565 -9.5428 -9.5428 -9.4695 -9.4695 -9.4635 -9.4635 -8.7071 -8.7071 -8.7037 -8.7037 -8.6772 -8.6772 -8.6742 -8.6741 -8.6335 -8.6335 -8.6292 -8.6292 -0.3819 -0.3818 -0.3762 -0.3761 1.3637 1.3639 1.3920 1.3921 2.0878 2.0880 2.1412 2.1414 3.7423 3.7424 3.7814 3.7815 6.7261 6.7261 6.8394 6.8394 8.8917 8.8918 8.9220 8.9221 k =-0.3932 0.4825 0.6947 ( 4352 PWs) bands (ev): -10.0498 -10.0497 -10.0437 -10.0436 -9.5569 -9.5569 -9.5433 -9.5433 -9.4725 -9.4725 -9.4670 -9.4670 -8.7076 -8.7076 -8.7036 -8.7036 -8.6783 -8.6783 -8.6744 -8.6744 -8.6362 -8.6362 -8.6323 -8.6323 -0.4197 -0.4196 -0.4144 -0.4143 1.4168 1.4169 1.4463 1.4464 2.1008 2.1009 2.1542 2.1544 3.7780 3.7782 3.8163 3.8164 6.7017 6.7017 6.8098 6.8098 8.9088 8.9089 8.9279 8.9280 k =-0.3998 0.4631 0.6947 ( 4356 PWs) bands (ev): -10.0473 -10.0473 -10.0411 -10.0411 -9.5572 -9.5572 -9.5438 -9.5438 -9.4755 -9.4755 -9.4704 -9.4704 -8.7081 -8.7081 -8.7036 -8.7036 -8.6795 -8.6795 -8.6746 -8.6746 -8.6388 -8.6388 -8.6353 -8.6353 -0.4554 -0.4553 -0.4504 -0.4503 1.4701 1.4702 1.5009 1.5010 2.1122 2.1123 2.1658 2.1660 3.8104 3.8106 3.8478 3.8479 6.6798 6.6798 6.7824 6.7824 8.9255 8.9256 8.9362 8.9363 k =-0.4065 0.4437 0.6947 ( 4360 PWs) bands (ev): -10.0449 -10.0448 -10.0387 -10.0386 -9.5576 -9.5575 -9.5444 -9.5444 -9.4784 -9.4784 -9.4737 -9.4736 -8.7086 -8.7086 -8.7036 -8.7036 -8.6807 -8.6807 -8.6748 -8.6748 -8.6411 -8.6411 -8.6381 -8.6381 -0.4889 -0.4888 -0.4843 -0.4842 1.5232 1.5233 1.5555 1.5556 2.1221 2.1222 2.1760 2.1762 3.8393 3.8394 3.8754 3.8756 6.6605 6.6605 6.7573 6.7573 8.9379 8.9379 8.9515 8.9515 k =-0.4132 0.4243 0.6947 ( 4364 PWs) bands (ev): -10.0425 -10.0424 -10.0363 -10.0362 -9.5579 -9.5579 -9.5450 -9.5450 -9.4813 -9.4813 -9.4768 -9.4768 -8.7090 -8.7090 -8.7037 -8.7037 -8.6819 -8.6819 -8.6750 -8.6750 -8.6433 -8.6433 -8.6409 -8.6409 -0.5202 -0.5201 -0.5159 -0.5158 1.5760 1.5761 1.6098 1.6099 2.1305 2.1307 2.1849 2.1851 3.8644 3.8645 3.8992 3.8994 6.6438 6.6438 6.7345 6.7345 8.9480 8.9481 8.9720 8.9720 k =-0.4199 0.4049 0.6947 ( 4368 PWs) bands (ev): -10.0401 -10.0400 -10.0340 -10.0339 -9.5581 -9.5581 -9.5456 -9.5456 -9.4840 -9.4840 -9.4798 -9.4798 -8.7094 -8.7094 -8.7038 -8.7038 -8.6830 -8.6830 -8.6753 -8.6753 -8.6454 -8.6453 -8.6434 -8.6434 -0.5493 -0.5492 -0.5453 -0.5453 1.6280 1.6281 1.6636 1.6637 2.1375 2.1377 2.1924 2.1926 3.8858 3.8860 3.9191 3.9192 6.6296 6.6296 6.7140 6.7140 8.9593 8.9594 8.9948 8.9949 k =-0.4265 0.3855 0.6947 ( 4372 PWs) bands (ev): -10.0378 -10.0377 -10.0319 -10.0318 -9.5584 -9.5584 -9.5463 -9.5463 -9.4866 -9.4866 -9.4827 -9.4827 -8.7098 -8.7098 -8.7040 -8.7040 -8.6841 -8.6841 -8.6756 -8.6756 -8.6473 -8.6473 -8.6457 -8.6456 -0.5761 -0.5760 -0.5725 -0.5724 1.6789 1.6791 1.7164 1.7165 2.1431 2.1432 2.1986 2.1987 3.9036 3.9038 3.9351 3.9353 6.6179 6.6179 6.6956 6.6957 8.9725 8.9725 9.0195 9.0196 k =-0.4332 0.3661 0.6947 ( 4372 PWs) bands (ev): -10.0355 -10.0354 -10.0299 -10.0298 -9.5586 -9.5585 -9.5471 -9.5471 -9.4890 -9.4890 -9.4854 -9.4854 -8.7102 -8.7101 -8.7043 -8.7043 -8.6850 -8.6850 -8.6760 -8.6760 -8.6491 -8.6491 -8.6476 -8.6476 -0.6006 -0.6006 -0.5974 -0.5973 1.7285 1.7286 1.7679 1.7680 2.1472 2.1473 2.2034 2.2035 3.9179 3.9181 3.9474 3.9476 6.6084 6.6084 6.6793 6.6794 8.9878 8.9879 9.0459 9.0460 k =-0.4399 0.3467 0.6947 ( 4368 PWs) bands (ev): -10.0334 -10.0333 -10.0281 -10.0280 -9.5586 -9.5586 -9.5479 -9.5479 -9.4912 -9.4912 -9.4878 -9.4878 -8.7104 -8.7104 -8.7046 -8.7046 -8.6857 -8.6857 -8.6765 -8.6764 -8.6508 -8.6508 -8.6493 -8.6493 -0.6229 -0.6228 -0.6199 -0.6199 1.7762 1.7764 1.8177 1.8178 2.1498 2.1500 2.2067 2.2068 3.9291 3.9292 3.9563 3.9565 6.6010 6.6010 6.6650 6.6650 9.0056 9.0056 9.0738 9.0738 k =-0.4466 0.3273 0.6947 ( 4372 PWs) bands (ev): -10.0314 -10.0313 -10.0264 -10.0264 -9.5587 -9.5587 -9.5488 -9.5487 -9.4932 -9.4932 -9.4901 -9.4901 -8.7107 -8.7107 -8.7051 -8.7051 -8.6862 -8.6862 -8.6770 -8.6770 -8.6524 -8.6523 -8.6508 -8.6508 -0.6428 -0.6427 -0.6402 -0.6401 1.8218 1.8220 1.8654 1.8655 2.1509 2.1511 2.2085 2.2087 3.9373 3.9374 3.9622 3.9623 6.5955 6.5956 6.6524 6.6525 9.0256 9.0257 9.1027 9.1027 k =-0.4533 0.3079 0.6947 ( 4372 PWs) bands (ev): -10.0295 -10.0294 -10.0250 -10.0249 -9.5587 -9.5587 -9.5497 -9.5496 -9.4950 -9.4950 -9.4922 -9.4922 -8.7108 -8.7108 -8.7056 -8.7056 -8.6865 -8.6865 -8.6777 -8.6777 -8.6537 -8.6537 -8.6520 -8.6520 -0.6604 -0.6603 -0.6581 -0.6580 1.8649 1.8651 1.9106 1.9107 2.1504 2.1506 2.2087 2.2088 3.9431 3.9432 3.9653 3.9655 6.5917 6.5918 6.6415 6.6415 9.0480 9.0481 9.1320 9.1321 k =-0.4599 0.2885 0.6947 ( 4368 PWs) bands (ev): -10.0277 -10.0277 -10.0238 -10.0237 -9.5586 -9.5586 -9.5506 -9.5506 -9.4965 -9.4965 -9.4940 -9.4940 -8.7109 -8.7109 -8.7063 -8.7062 -8.6866 -8.6866 -8.6784 -8.6784 -8.6548 -8.6548 -8.6531 -8.6531 -0.6756 -0.6755 -0.6737 -0.6736 1.9052 1.9053 1.9528 1.9530 2.1484 2.1485 2.2070 2.2072 3.9470 3.9471 3.9664 3.9665 6.5894 6.5894 6.6320 6.6320 9.0724 9.0725 9.1609 9.1609 k =-0.4666 0.2691 0.6947 ( 4370 PWs) bands (ev): -10.0262 -10.0261 -10.0228 -10.0227 -9.5584 -9.5584 -9.5515 -9.5515 -9.4977 -9.4977 -9.4956 -9.4956 -8.7110 -8.7110 -8.7069 -8.7069 -8.6865 -8.6865 -8.6793 -8.6792 -8.6556 -8.6556 -8.6541 -8.6540 -0.6885 -0.6884 -0.6869 -0.6868 1.9423 1.9425 1.9917 1.9918 2.1447 2.1449 2.2034 2.2036 3.9493 3.9495 3.9658 3.9659 6.5883 6.5884 6.6238 6.6238 9.0985 9.0986 9.1878 9.1878 k =-0.4733 0.2497 0.6947 ( 4374 PWs) bands (ev): -10.0248 -10.0247 -10.0221 -10.0220 -9.5581 -9.5581 -9.5525 -9.5525 -9.4987 -9.4987 -9.4970 -9.4970 -8.7109 -8.7109 -8.7076 -8.7076 -8.6862 -8.6862 -8.6802 -8.6802 -8.6563 -8.6563 -8.6549 -8.6548 -0.6990 -0.6990 -0.6977 -0.6977 1.9761 1.9762 2.0266 2.0267 2.1396 2.1397 2.1976 2.1978 3.9508 3.9509 3.9642 3.9643 6.5884 6.5884 6.6167 6.6167 9.1257 9.1257 9.2109 9.2109 k =-0.4800 0.2303 0.6947 ( 4366 PWs) bands (ev): -10.0237 -10.0236 -10.0216 -10.0215 -9.5577 -9.5577 -9.5534 -9.5534 -9.4994 -9.4994 -9.4981 -9.4980 -8.7108 -8.7108 -8.7083 -8.7082 -8.6858 -8.6857 -8.6811 -8.6810 -8.6566 -8.6566 -8.6555 -8.6555 -0.7072 -0.7071 -0.7062 -0.7062 2.0063 2.0065 2.0562 2.0563 2.1338 2.1339 2.1895 2.1896 3.9517 3.9518 3.9619 3.9620 6.5893 6.5894 6.6105 6.6106 9.1531 9.1531 9.2276 9.2276 k =-0.4866 0.2109 0.6947 ( 4362 PWs) bands (ev): -10.0227 -10.0226 -10.0213 -10.0212 -9.5572 -9.5572 -9.5543 -9.5543 -9.4998 -9.4998 -9.4989 -9.4989 -8.7106 -8.7106 -8.7088 -8.7088 -8.6852 -8.6852 -8.6820 -8.6819 -8.6568 -8.6568 -8.6560 -8.6560 -0.7130 -0.7129 -0.7123 -0.7123 2.0327 2.0329 2.0773 2.0774 2.1304 2.1304 2.1788 2.1789 3.9526 3.9527 3.9594 3.9595 6.5911 6.5912 6.6052 6.6053 9.1795 9.1795 9.2356 9.2356 k =-0.4933 0.1916 0.6947 ( 4350 PWs) bands (ev): -10.0220 -10.0219 -10.0213 -10.0212 -9.5566 -9.5565 -9.5551 -9.5551 -9.4999 -9.4999 -9.4995 -9.4995 -8.7102 -8.7102 -8.7094 -8.7093 -8.6844 -8.6844 -8.6828 -8.6828 -8.6568 -8.6568 -8.6564 -8.6564 -0.7164 -0.7163 -0.7161 -0.7160 2.0551 2.0552 2.0825 2.0825 2.1363 2.1364 2.1655 2.1657 3.9537 3.9538 3.9571 3.9572 6.5936 6.5937 6.6007 6.6007 9.2033 9.2033 9.2336 9.2336 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0215 -10.0215 -10.0214 -10.0214 -9.5559 -9.5559 -9.5558 -9.5558 -9.4999 -9.4999 -9.4998 -9.4998 -8.7098 -8.7098 -8.7098 -8.7098 -8.6836 -8.6836 -8.6836 -8.6836 -8.6567 -8.6567 -8.6567 -8.6567 -0.7174 -0.7174 -0.7173 -0.7173 2.0726 2.0726 2.0727 2.0727 2.1505 2.1505 2.1506 2.1506 3.9552 3.9552 3.9553 3.9553 6.5968 6.5968 6.5969 6.5969 9.2221 9.2221 9.2221 9.2221 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0215 -10.0215 -10.0214 -10.0214 -9.5559 -9.5559 -9.5558 -9.5558 -9.4999 -9.4999 -9.4998 -9.4998 -8.7098 -8.7098 -8.7098 -8.7098 -8.6836 -8.6836 -8.6836 -8.6836 -8.6567 -8.6567 -8.6567 -8.6567 -0.7174 -0.7174 -0.7173 -0.7173 2.0726 2.0726 2.0727 2.0727 2.1505 2.1505 2.1506 2.1506 3.9552 3.9552 3.9553 3.9553 6.5968 6.5968 6.5969 6.5969 9.2221 9.2221 9.2221 9.2221 k =-0.5000 0.1722 0.6743 ( 4356 PWs) bands (ev): -10.0233 -10.0233 -10.0200 -10.0199 -9.5559 -9.5559 -9.5559 -9.5558 -9.5028 -9.5028 -9.4969 -9.4968 -8.7100 -8.7100 -8.7097 -8.7097 -8.6845 -8.6844 -8.6830 -8.6830 -8.6584 -8.6583 -8.6549 -8.6549 -0.7373 -0.7373 -0.6950 -0.6950 2.0628 2.0629 2.0790 2.0791 2.1426 2.1427 2.1588 2.1589 3.9052 3.9052 4.0059 4.0059 6.5204 6.5204 6.6741 6.6741 9.2142 9.2142 9.2317 9.2317 k =-0.5000 0.1722 0.6538 ( 4368 PWs) bands (ev): -10.0255 -10.0254 -10.0187 -10.0187 -9.5561 -9.5561 -9.5559 -9.5558 -9.5057 -9.5057 -9.4938 -9.4938 -8.7102 -8.7102 -8.7095 -8.7095 -8.6854 -8.6854 -8.6825 -8.6825 -8.6598 -8.6598 -8.6529 -8.6529 -0.7547 -0.7547 -0.6700 -0.6700 2.0504 2.0505 2.0813 2.0814 2.1353 2.1354 2.1676 2.1677 3.8564 3.8564 4.0562 4.0562 6.4461 6.4461 6.7510 6.7510 9.2073 9.2073 9.2435 9.2435 k =-0.5000 0.1722 0.6334 ( 4380 PWs) bands (ev): -10.0279 -10.0279 -10.0178 -10.0178 -9.5563 -9.5562 -9.5559 -9.5559 -9.5085 -9.5085 -9.4907 -9.4907 -8.7105 -8.7105 -8.7094 -8.7094 -8.6864 -8.6863 -8.6821 -8.6820 -8.6610 -8.6610 -8.6507 -8.6507 -0.7697 -0.7697 -0.6426 -0.6426 2.0358 2.0358 2.0790 2.0791 2.1287 2.1288 2.1767 2.1768 3.8096 3.8096 4.1053 4.1053 6.3753 6.3753 6.8264 6.8264 9.2006 9.2006 9.2580 9.2580 k =-0.5000 0.1722 0.6130 ( 4378 PWs) bands (ev): -10.0306 -10.0306 -10.0172 -10.0172 -9.5563 -9.5563 -9.5559 -9.5558 -9.5112 -9.5112 -9.4876 -9.4876 -8.7106 -8.7106 -8.7092 -8.7092 -8.6874 -8.6873 -8.6817 -8.6817 -8.6620 -8.6620 -8.6483 -8.6483 -0.7822 -0.7822 -0.6126 -0.6126 2.0194 2.0195 2.0719 2.0720 2.1227 2.1228 2.1860 2.1861 3.7651 3.7651 4.1518 4.1518 6.3093 6.3094 6.8993 6.8993 9.1936 9.1936 9.2753 9.2753 k =-0.5000 0.1722 0.5925 ( 4382 PWs) bands (ev): -10.0336 -10.0336 -10.0169 -10.0169 -9.5565 -9.5565 -9.5558 -9.5558 -9.5137 -9.5137 -9.4845 -9.4845 -8.7108 -8.7108 -8.7090 -8.7090 -8.6884 -8.6884 -8.6815 -8.6815 -8.6629 -8.6629 -8.6459 -8.6459 -0.7923 -0.7923 -0.5801 -0.5801 2.0017 2.0018 2.0606 2.0607 2.1171 2.1172 2.1952 2.1953 3.7232 3.7232 4.1944 4.1944 6.2500 6.2500 6.9686 6.9686 9.1861 9.1861 9.2956 9.2956 k =-0.5000 0.1722 0.5721 ( 4382 PWs) bands (ev): -10.0369 -10.0368 -10.0169 -10.0168 -9.5566 -9.5566 -9.5559 -9.5559 -9.5161 -9.5161 -9.4814 -9.4814 -8.7110 -8.7110 -8.7089 -8.7088 -8.6895 -8.6895 -8.6814 -8.6814 -8.6634 -8.6634 -8.6432 -8.6432 -0.8001 -0.8001 -0.5452 -0.5452 1.9828 1.9828 2.0458 2.0459 2.1113 2.1114 2.2042 2.2042 3.6842 3.6842 4.2313 4.2313 6.1990 6.1990 7.0331 7.0331 9.1788 9.1788 9.3189 9.3189 k =-0.5000 0.1722 0.5517 ( 4380 PWs) bands (ev): -10.0404 -10.0403 -10.0171 -10.0171 -9.5568 -9.5568 -9.5559 -9.5559 -9.5183 -9.5183 -9.4783 -9.4783 -8.7112 -8.7111 -8.7087 -8.7087 -8.6906 -8.6906 -8.6814 -8.6814 -8.6639 -8.6639 -8.6404 -8.6404 -0.8055 -0.8055 -0.5079 -0.5079 1.9628 1.9628 2.0281 2.0282 2.1049 2.1049 2.2126 2.2126 3.6483 3.6483 4.2609 4.2609 6.1583 6.1583 7.0920 7.0920 9.1734 9.1734 9.3453 9.3453 k =-0.5000 0.1722 0.5312 ( 4376 PWs) bands (ev): -10.0441 -10.0440 -10.0176 -10.0175 -9.5570 -9.5570 -9.5559 -9.5559 -9.5204 -9.5203 -9.4753 -9.4753 -8.7113 -8.7113 -8.7085 -8.7085 -8.6917 -8.6916 -8.6815 -8.6814 -8.6642 -8.6642 -8.6376 -8.6376 -0.8088 -0.8088 -0.4682 -0.4682 1.9417 1.9418 2.0081 2.0082 2.0977 2.0978 2.2205 2.2205 3.6154 3.6154 4.2814 4.2814 6.1297 6.1297 7.1442 7.1442 9.1716 9.1716 9.3746 9.3746 k =-0.5000 0.1722 0.5108 ( 4380 PWs) bands (ev): -10.0480 -10.0479 -10.0183 -10.0183 -9.5572 -9.5571 -9.5560 -9.5560 -9.5223 -9.5223 -9.4724 -9.4724 -8.7115 -8.7115 -8.7083 -8.7083 -8.6927 -8.6927 -8.6816 -8.6816 -8.6644 -8.6644 -8.6347 -8.6347 -0.8100 -0.8100 -0.4261 -0.4261 1.9197 1.9197 1.9864 1.9864 2.0898 2.0899 2.2277 2.2277 3.5857 3.5857 4.2913 4.2913 6.1147 6.1147 7.1889 7.1889 9.1751 9.1751 9.4065 9.4065 k =-0.5000 0.1722 0.4904 ( 4384 PWs) bands (ev): -10.0521 -10.0520 -10.0193 -10.0192 -9.5574 -9.5574 -9.5560 -9.5560 -9.5240 -9.5240 -9.4696 -9.4696 -8.7117 -8.7117 -8.7081 -8.7081 -8.6937 -8.6937 -8.6819 -8.6818 -8.6644 -8.6644 -8.6318 -8.6318 -0.8091 -0.8091 -0.3819 -0.3819 1.8964 1.8965 1.9632 1.9633 2.0812 2.0812 2.2342 2.2342 3.5590 3.5590 4.2895 4.2895 6.1146 6.1146 7.2257 7.2257 9.1854 9.1854 9.4407 9.4407 k =-0.5000 0.1722 0.4699 ( 4380 PWs) bands (ev): -10.0563 -10.0563 -10.0204 -10.0204 -9.5576 -9.5576 -9.5561 -9.5560 -9.5256 -9.5255 -9.4669 -9.4669 -8.7119 -8.7119 -8.7079 -8.7079 -8.6947 -8.6946 -8.6822 -8.6821 -8.6643 -8.6643 -8.6288 -8.6288 -0.8062 -0.8062 -0.3354 -0.3354 1.8720 1.8720 1.9393 1.9394 2.0719 2.0720 2.2399 2.2399 3.5352 3.5352 4.2757 4.2757 6.1300 6.1300 7.2543 7.2543 9.2031 9.2031 9.4769 9.4769 k =-0.5000 0.1722 0.4495 ( 4382 PWs) bands (ev): -10.0606 -10.0606 -10.0218 -10.0217 -9.5578 -9.5578 -9.5561 -9.5561 -9.5270 -9.5270 -9.4643 -9.4643 -8.7121 -8.7120 -8.7077 -8.7077 -8.6956 -8.6955 -8.6825 -8.6825 -8.6642 -8.6642 -8.6258 -8.6258 -0.8015 -0.8015 -0.2869 -0.2869 1.8460 1.8461 1.9152 1.9152 2.0621 2.0621 2.2450 2.2450 3.5142 3.5142 4.2499 4.2499 6.1606 6.1606 7.2747 7.2747 9.2284 9.2284 9.5147 9.5147 k =-0.5000 0.1722 0.4291 ( 4378 PWs) bands (ev): -10.0651 -10.0651 -10.0233 -10.0232 -9.5580 -9.5580 -9.5562 -9.5562 -9.5282 -9.5282 -9.4617 -9.4617 -8.7122 -8.7122 -8.7075 -8.7075 -8.6964 -8.6963 -8.6829 -8.6828 -8.6640 -8.6640 -8.6228 -8.6228 -0.7951 -0.7951 -0.2365 -0.2365 1.8186 1.8186 1.8913 1.8913 2.0517 2.0517 2.2494 2.2494 3.4958 3.4958 4.2130 4.2130 6.2057 6.2057 7.2874 7.2874 9.2609 9.2609 9.5540 9.5540 k =-0.5000 0.1722 0.4086 ( 4374 PWs) bands (ev): -10.0696 -10.0696 -10.0249 -10.0249 -9.5582 -9.5582 -9.5562 -9.5562 -9.5293 -9.5292 -9.4593 -9.4593 -8.7124 -8.7124 -8.7073 -8.7073 -8.6971 -8.6971 -8.6832 -8.6832 -8.6637 -8.6637 -8.6199 -8.6199 -0.7871 -0.7871 -0.1842 -0.1842 1.7895 1.7896 1.8681 1.8681 2.0409 2.0409 2.2530 2.2530 3.4797 3.4797 4.1664 4.1664 6.2641 6.2641 7.2928 7.2928 9.3000 9.3000 9.5945 9.5945 k =-0.5000 0.1722 0.3882 ( 4382 PWs) bands (ev): -10.0741 -10.0741 -10.0266 -10.0266 -9.5585 -9.5585 -9.5563 -9.5563 -9.5302 -9.5302 -9.4571 -9.4571 -8.7126 -8.7126 -8.7071 -8.7071 -8.6978 -8.6978 -8.6837 -8.6837 -8.6635 -8.6635 -8.6170 -8.6170 -0.7777 -0.7777 -0.1302 -0.1302 1.7591 1.7591 1.8457 1.8457 2.0297 2.0297 2.2561 2.2561 3.4658 3.4658 4.1115 4.1115 6.3343 6.3343 7.2920 7.2920 9.3443 9.3443 9.6363 9.6363 k =-0.5000 0.1722 0.3678 ( 4378 PWs) bands (ev): -10.0787 -10.0787 -10.0285 -10.0284 -9.5587 -9.5587 -9.5563 -9.5563 -9.5310 -9.5310 -9.4550 -9.4550 -8.7127 -8.7127 -8.7069 -8.7069 -8.6983 -8.6983 -8.6841 -8.6841 -8.6631 -8.6631 -8.6142 -8.6142 -0.7669 -0.7669 -0.0747 -0.0747 1.7275 1.7275 1.8244 1.8244 2.0182 2.0182 2.2585 2.2585 3.4538 3.4539 4.0500 4.0500 6.4149 6.4149 7.2859 7.2859 9.3927 9.3927 9.6795 9.6795 k =-0.5000 0.1722 0.3474 ( 4374 PWs) bands (ev): -10.0832 -10.0832 -10.0304 -10.0303 -9.5589 -9.5588 -9.5563 -9.5563 -9.5317 -9.5317 -9.4529 -9.4529 -8.7129 -8.7129 -8.7067 -8.7067 -8.6988 -8.6988 -8.6846 -8.6846 -8.6628 -8.6628 -8.6113 -8.6113 -0.7550 -0.7550 -0.0179 -0.0178 1.6952 1.6952 1.8040 1.8040 2.0064 2.0064 2.2604 2.2604 3.4436 3.4436 3.9832 3.9832 6.5042 6.5042 7.2756 7.2756 9.4435 9.4435 9.7241 9.7241 k =-0.5000 0.1722 0.3269 ( 4378 PWs) bands (ev): -10.0877 -10.0876 -10.0323 -10.0323 -9.5590 -9.5590 -9.5564 -9.5564 -9.5324 -9.5324 -9.4511 -9.4510 -8.7130 -8.7130 -8.7066 -8.7066 -8.6993 -8.6993 -8.6851 -8.6850 -8.6625 -8.6625 -8.6086 -8.6086 -0.7421 -0.7421 0.0401 0.0401 1.6625 1.6625 1.7847 1.7847 1.9943 1.9943 2.2618 2.2618 3.4349 3.4349 3.9127 3.9127 6.6009 6.6009 7.2623 7.2623 9.4952 9.4953 9.7700 9.7700 k =-0.5000 0.1722 0.3065 ( 4378 PWs) bands (ev): -10.0920 -10.0920 -10.0342 -10.0342 -9.5592 -9.5592 -9.5565 -9.5565 -9.5329 -9.5329 -9.4493 -9.4493 -8.7131 -8.7131 -8.7065 -8.7065 -8.6996 -8.6996 -8.6855 -8.6855 -8.6622 -8.6622 -8.6060 -8.6060 -0.7285 -0.7285 0.0990 0.0990 1.6297 1.6297 1.7663 1.7664 1.9820 1.9820 2.2628 2.2628 3.4275 3.4275 3.8397 3.8397 6.7033 6.7033 7.2475 7.2475 9.5464 9.5464 9.8172 9.8172 k =-0.5000 0.1722 0.2861 ( 4378 PWs) bands (ev): -10.0963 -10.0963 -10.0362 -10.0361 -9.5593 -9.5593 -9.5565 -9.5565 -9.5334 -9.5334 -9.4477 -9.4477 -8.7131 -8.7131 -8.7065 -8.7065 -8.6999 -8.6999 -8.6860 -8.6860 -8.6619 -8.6619 -8.6035 -8.6035 -0.7142 -0.7142 0.1585 0.1585 1.5973 1.5973 1.7490 1.7490 1.9695 1.9695 2.2634 2.2634 3.4212 3.4212 3.7653 3.7654 6.8095 6.8095 7.2329 7.2329 9.5956 9.5956 9.8653 9.8653 k =-0.5000 0.1722 0.2656 ( 4364 PWs) bands (ev): -10.1004 -10.1003 -10.0380 -10.0380 -9.5593 -9.5593 -9.5565 -9.5565 -9.5337 -9.5337 -9.4462 -9.4462 -8.7131 -8.7131 -8.7064 -8.7064 -8.7000 -8.7000 -8.6864 -8.6864 -8.6615 -8.6615 -8.6011 -8.6011 -0.6996 -0.6996 0.2183 0.2183 1.5655 1.5655 1.7327 1.7327 1.9568 1.9568 2.2637 2.2637 3.4158 3.4158 3.6907 3.6907 6.9155 6.9155 7.2222 7.2222 9.6418 9.6418 9.9137 9.9137 k =-0.5000 0.1722 0.2452 ( 4368 PWs) bands (ev): -10.1043 -10.1043 -10.0399 -10.0399 -9.5595 -9.5594 -9.5566 -9.5566 -9.5340 -9.5340 -9.4448 -9.4448 -8.7132 -8.7132 -8.7065 -8.7065 -8.7002 -8.7002 -8.6869 -8.6869 -8.6611 -8.6611 -8.5988 -8.5988 -0.6847 -0.6847 0.2781 0.2781 1.5346 1.5346 1.7174 1.7174 1.9440 1.9440 2.2637 2.2637 3.4111 3.4112 3.6168 3.6169 7.0113 7.0114 7.2256 7.2257 9.6840 9.6841 9.9616 9.9616 k =-0.5000 0.1722 0.2248 ( 4364 PWs) bands (ev): -10.1080 -10.1080 -10.0417 -10.0417 -9.5595 -9.5595 -9.5566 -9.5566 -9.5342 -9.5342 -9.4436 -9.4436 -8.7132 -8.7132 -8.7065 -8.7065 -8.7002 -8.7002 -8.6873 -8.6873 -8.6608 -8.6608 -8.5967 -8.5967 -0.6699 -0.6699 0.3373 0.3373 1.5050 1.5050 1.7032 1.7032 1.9309 1.9309 2.2635 2.2635 3.4068 3.4068 3.5449 3.5449 7.0712 7.0712 7.2686 7.2687 9.7216 9.7216 10.0078 10.0078 k =-0.5000 0.1722 0.2043 ( 4364 PWs) bands (ev): -10.1115 -10.1114 -10.0434 -10.0434 -9.5596 -9.5595 -9.5567 -9.5567 -9.5344 -9.5344 -9.4425 -9.4425 -8.7131 -8.7131 -8.7066 -8.7066 -8.7002 -8.7002 -8.6878 -8.6878 -8.6605 -8.6605 -8.5947 -8.5947 -0.6554 -0.6553 0.3956 0.3956 1.4769 1.4769 1.6901 1.6901 1.9177 1.9177 2.2632 2.2632 3.4014 3.4015 3.4769 3.4769 7.0853 7.0853 7.3609 7.3609 9.7535 9.7535 10.0513 10.0513 k =-0.5000 0.1722 0.1839 ( 4358 PWs) bands (ev): -10.1147 -10.1147 -10.0449 -10.0449 -9.5596 -9.5596 -9.5567 -9.5567 -9.5346 -9.5346 -9.4415 -9.4415 -8.7131 -8.7131 -8.7067 -8.7067 -8.7001 -8.7001 -8.6882 -8.6882 -8.6602 -8.6602 -8.5929 -8.5929 -0.6413 -0.6413 0.4523 0.4523 1.4505 1.4505 1.6782 1.6782 1.9044 1.9044 2.2627 2.2627 3.3854 3.3855 3.4233 3.4234 7.0790 7.0790 7.4768 7.4768 9.7778 9.7778 10.0908 10.0908 k =-0.5000 0.1722 0.1635 ( 4354 PWs) bands (ev): -10.1176 -10.1176 -10.0464 -10.0464 -9.5596 -9.5596 -9.5567 -9.5567 -9.5347 -9.5347 -9.4406 -9.4406 -8.7130 -8.7130 -8.7069 -8.7069 -8.7000 -8.7000 -8.6886 -8.6886 -8.6599 -8.6599 -8.5913 -8.5913 -0.6279 -0.6279 0.5067 0.5067 1.4262 1.4262 1.6674 1.6674 1.8912 1.8912 2.2622 2.2622 3.3359 3.3360 3.4077 3.4078 7.0666 7.0666 7.6016 7.6016 9.7902 9.7902 10.1187 10.1187 k =-0.5000 0.1722 0.1430 ( 4354 PWs) bands (ev): -10.1203 -10.1203 -10.0477 -10.0477 -9.5596 -9.5595 -9.5568 -9.5568 -9.5348 -9.5348 -9.4398 -9.4398 -8.7129 -8.7129 -8.7072 -8.7071 -8.6999 -8.6999 -8.6889 -8.6889 -8.6596 -8.6596 -8.5898 -8.5898 -0.6154 -0.6154 0.5582 0.5582 1.4041 1.4041 1.6578 1.6578 1.8781 1.8781 2.2617 2.2617 3.2801 3.2801 3.4038 3.4038 7.0529 7.0529 7.7299 7.7299 9.7807 9.7807 10.0518 10.0518 k =-0.5000 0.1722 0.1226 ( 4354 PWs) bands (ev): -10.1226 -10.1226 -10.0489 -10.0489 -9.5596 -9.5595 -9.5569 -9.5568 -9.5349 -9.5349 -9.4392 -9.4392 -8.7128 -8.7127 -8.7073 -8.7073 -8.6998 -8.6998 -8.6893 -8.6893 -8.6594 -8.6594 -8.5885 -8.5885 -0.6041 -0.6041 0.6059 0.6059 1.3845 1.3845 1.6495 1.6495 1.8654 1.8654 2.2612 2.2612 3.2283 3.2283 3.4018 3.4018 7.0396 7.0396 7.8590 7.8590 9.7341 9.7341 10.0039 10.0039 k =-0.5000 0.1722 0.1022 ( 4350 PWs) bands (ev): -10.1246 -10.1246 -10.0499 -10.0499 -9.5595 -9.5595 -9.5569 -9.5569 -9.5350 -9.5350 -9.4386 -9.4386 -8.7126 -8.7126 -8.7075 -8.7075 -8.6997 -8.6997 -8.6896 -8.6896 -8.6592 -8.6592 -8.5874 -8.5874 -0.5942 -0.5942 0.6488 0.6488 1.3675 1.3675 1.6424 1.6424 1.8534 1.8534 2.2607 2.2607 3.1826 3.1826 3.4004 3.4004 7.0276 7.0276 7.9866 7.9866 9.6514 9.6514 9.9860 9.9860 k =-0.5000 0.1722 0.0817 ( 4344 PWs) bands (ev): -10.1262 -10.1262 -10.0508 -10.0508 -9.5595 -9.5594 -9.5569 -9.5569 -9.5350 -9.5350 -9.4382 -9.4382 -8.7125 -8.7124 -8.7077 -8.7077 -8.6996 -8.6996 -8.6898 -8.6898 -8.6590 -8.6590 -8.5865 -8.5865 -0.5858 -0.5858 0.6859 0.6859 1.3533 1.3533 1.6366 1.6366 1.8425 1.8425 2.2603 2.2603 3.1440 3.1440 3.3994 3.3994 7.0173 7.0173 8.1097 8.1097 9.5511 9.5511 9.9840 9.9840 k =-0.5000 0.1722 0.0613 ( 4350 PWs) bands (ev): -10.1275 -10.1275 -10.0514 -10.0514 -9.5594 -9.5594 -9.5569 -9.5569 -9.5351 -9.5351 -9.4379 -9.4379 -8.7124 -8.7123 -8.7079 -8.7079 -8.6995 -8.6995 -8.6900 -8.6900 -8.6590 -8.6590 -8.5858 -8.5858 -0.5790 -0.5790 0.7161 0.7161 1.3422 1.3422 1.6321 1.6321 1.8333 1.8333 2.2600 2.2600 3.1131 3.1131 3.3988 3.3988 7.0090 7.0091 8.2238 8.2238 9.4492 9.4492 9.9873 9.9873 k =-0.5000 0.1722 0.0409 ( 4350 PWs) bands (ev): -10.1285 -10.1285 -10.0519 -10.0519 -9.5594 -9.5594 -9.5570 -9.5570 -9.5351 -9.5351 -9.4376 -9.4376 -8.7123 -8.7123 -8.7080 -8.7080 -8.6994 -8.6994 -8.6902 -8.6902 -8.6589 -8.6589 -8.5853 -8.5853 -0.5741 -0.5741 0.7386 0.7386 1.3341 1.3341 1.6288 1.6288 1.8262 1.8262 2.2598 2.2598 3.0906 3.0906 3.3983 3.3983 7.0030 7.0030 8.3213 8.3213 9.3583 9.3583 9.9914 9.9914 k =-0.5000 0.1722 0.0204 ( 4342 PWs) bands (ev): -10.1290 -10.1290 -10.0522 -10.0522 -9.5594 -9.5594 -9.5570 -9.5570 -9.5351 -9.5351 -9.4374 -9.4374 -8.7122 -8.7122 -8.7081 -8.7081 -8.6993 -8.6993 -8.6902 -8.6902 -8.6588 -8.6588 -8.5849 -8.5849 -0.5711 -0.5711 0.7524 0.7524 1.3292 1.3292 1.6269 1.6269 1.8217 1.8217 2.2596 2.2596 3.0770 3.0770 3.3981 3.3981 6.9994 6.9994 8.3902 8.3902 9.2928 9.2928 9.9944 9.9944 k =-0.5000 0.1722 0.0000 ( 4338 PWs) bands (ev): -10.1292 -10.1292 -10.0523 -10.0523 -9.5594 -9.5594 -9.5569 -9.5569 -9.5351 -9.5351 -9.4374 -9.4374 -8.7122 -8.7122 -8.7081 -8.7081 -8.6993 -8.6993 -8.6903 -8.6903 -8.6588 -8.6588 -8.5848 -8.5848 -0.5701 -0.5701 0.7571 0.7571 1.3276 1.3276 1.6263 1.6263 1.8202 1.8202 2.2596 2.2596 3.0724 3.0724 3.3980 3.3980 6.9981 6.9981 8.4156 8.4156 9.2683 9.2683 9.9955 9.9955 k = 0.0000 0.0000 0.6947 ( 4356 PWs) bands (ev): -10.0458 -10.0458 -10.0458 -10.0458 -9.5596 -9.5596 -9.5596 -9.5596 -9.4850 -9.4850 -9.4850 -9.4850 -8.7122 -8.7122 -8.7121 -8.7121 -8.6883 -8.6883 -8.6883 -8.6883 -8.6338 -8.6338 -8.6337 -8.6337 -0.3632 -0.3632 -0.3632 -0.3632 1.4280 1.4280 1.4281 1.4281 2.1391 2.1391 2.1392 2.1392 3.7848 3.7848 3.7850 3.7850 7.3260 7.3260 7.3260 7.3260 8.9647 8.9647 8.9647 8.9647 k =-0.0192 0.0066 0.6947 ( 4352 PWs) bands (ev): -10.0458 -10.0457 -10.0457 -10.0456 -9.5596 -9.5596 -9.5596 -9.5595 -9.4852 -9.4852 -9.4849 -9.4849 -8.7122 -8.7122 -8.7121 -8.7121 -8.6883 -8.6883 -8.6882 -8.6882 -8.6339 -8.6339 -8.6337 -8.6337 -0.3650 -0.3649 -0.3649 -0.3649 1.4308 1.4308 1.4309 1.4310 2.1390 2.1390 2.1391 2.1391 3.7851 3.7852 3.7853 3.7854 7.3237 7.3237 7.3241 7.3241 8.9654 8.9654 8.9656 8.9656 k =-0.0385 0.0132 0.6947 ( 4360 PWs) bands (ev): -10.0456 -10.0455 -10.0454 -10.0453 -9.5596 -9.5596 -9.5595 -9.5595 -9.4856 -9.4855 -9.4850 -9.4849 -8.7122 -8.7122 -8.7120 -8.7120 -8.6883 -8.6883 -8.6882 -8.6882 -8.6344 -8.6343 -8.6339 -8.6339 -0.3700 -0.3700 -0.3699 -0.3699 1.4392 1.4393 1.4393 1.4394 2.1388 2.1388 2.1389 2.1389 3.7860 3.7862 3.7863 3.7865 7.3172 7.3172 7.3180 7.3180 8.9677 8.9677 8.9683 8.9683 k =-0.0577 0.0199 0.6947 ( 4360 PWs) bands (ev): -10.0452 -10.0452 -10.0449 -10.0448 -9.5596 -9.5596 -9.5594 -9.5594 -9.4859 -9.4859 -9.4851 -9.4850 -8.7122 -8.7122 -8.7120 -8.7119 -8.6882 -8.6882 -8.6882 -8.6882 -8.6348 -8.6348 -8.6341 -8.6341 -0.3783 -0.3782 -0.3782 -0.3782 1.4531 1.4532 1.4532 1.4533 2.1384 2.1384 2.1385 2.1385 3.7876 3.7878 3.7881 3.7883 7.3065 7.3066 7.3077 7.3077 8.9717 8.9717 8.9726 8.9726 k =-0.0769 0.0265 0.6947 ( 4356 PWs) bands (ev): -10.0447 -10.0446 -10.0443 -10.0442 -9.5596 -9.5595 -9.5593 -9.5593 -9.4864 -9.4864 -9.4852 -9.4852 -8.7122 -8.7122 -8.7119 -8.7118 -8.6882 -8.6881 -8.6881 -8.6881 -8.6354 -8.6354 -8.6345 -8.6345 -0.3895 -0.3894 -0.3894 -0.3894 1.4720 1.4721 1.4722 1.4723 2.1378 2.1379 2.1379 2.1380 3.7899 3.7902 3.7905 3.7907 7.2918 7.2918 7.2933 7.2933 8.9773 8.9773 8.9785 8.9785 k =-0.0962 0.0331 0.6947 ( 4354 PWs) bands (ev): -10.0440 -10.0439 -10.0435 -10.0434 -9.5595 -9.5595 -9.5592 -9.5592 -9.4869 -9.4869 -9.4855 -9.4855 -8.7122 -8.7122 -8.7118 -8.7117 -8.6881 -8.6880 -8.6880 -8.6880 -8.6361 -8.6361 -8.6350 -8.6350 -0.4033 -0.4033 -0.4033 -0.4032 1.4956 1.4957 1.4958 1.4959 2.1372 2.1372 2.1373 2.1374 3.7930 3.7932 3.7937 3.7939 7.2730 7.2730 7.2748 7.2748 8.9845 8.9845 8.9859 8.9859 k =-0.1154 0.0397 0.6947 ( 4350 PWs) bands (ev): -10.0432 -10.0431 -10.0425 -10.0425 -9.5594 -9.5594 -9.5590 -9.5590 -9.4875 -9.4875 -9.4859 -9.4858 -8.7122 -8.7122 -8.7116 -8.7116 -8.6879 -8.6879 -8.6879 -8.6879 -8.6370 -8.6370 -8.6357 -8.6357 -0.4194 -0.4194 -0.4194 -0.4193 1.5234 1.5235 1.5236 1.5237 2.1364 2.1365 2.1365 2.1366 3.7968 3.7970 3.7976 3.7978 7.2503 7.2503 7.2523 7.2523 8.9931 8.9931 8.9947 8.9947 k =-0.1346 0.0464 0.6947 ( 4340 PWs) bands (ev): -10.0422 -10.0421 -10.0415 -10.0414 -9.5593 -9.5593 -9.5589 -9.5588 -9.4882 -9.4882 -9.4863 -9.4863 -8.7121 -8.7121 -8.7115 -8.7115 -8.6878 -8.6878 -8.6878 -8.6877 -8.6379 -8.6379 -8.6364 -8.6364 -0.4374 -0.4374 -0.4373 -0.4373 1.5548 1.5549 1.5551 1.5552 2.1355 2.1356 2.1356 2.1357 3.8013 3.8015 3.8023 3.8025 7.2237 7.2237 7.2259 7.2260 9.0030 9.0030 9.0049 9.0049 k =-0.1538 0.0530 0.6947 ( 4348 PWs) bands (ev): -10.0411 -10.0410 -10.0403 -10.0402 -9.5592 -9.5592 -9.5587 -9.5587 -9.4890 -9.4890 -9.4869 -9.4868 -8.7121 -8.7121 -8.7114 -8.7114 -8.6877 -8.6877 -8.6876 -8.6876 -8.6390 -8.6390 -8.6373 -8.6373 -0.4569 -0.4568 -0.4568 -0.4567 1.5892 1.5893 1.5895 1.5897 2.1345 2.1346 2.1346 2.1348 3.8066 3.8068 3.8078 3.8080 7.1935 7.1935 7.1959 7.1959 9.0142 9.0142 9.0163 9.0163 k =-0.1731 0.0596 0.6947 ( 4344 PWs) bands (ev): -10.0399 -10.0398 -10.0390 -10.0390 -9.5591 -9.5590 -9.5585 -9.5585 -9.4898 -9.4898 -9.4875 -9.4875 -8.7120 -8.7120 -8.7113 -8.7113 -8.6875 -8.6875 -8.6874 -8.6874 -8.6402 -8.6402 -8.6383 -8.6383 -0.4773 -0.4773 -0.4773 -0.4772 1.6260 1.6261 1.6264 1.6265 2.1335 2.1336 2.1336 2.1338 3.8128 3.8130 3.8140 3.8142 7.1599 7.1600 7.1624 7.1625 9.0266 9.0266 9.0289 9.0289 k =-0.1923 0.0662 0.6947 ( 4352 PWs) bands (ev): -10.0386 -10.0385 -10.0377 -10.0376 -9.5589 -9.5589 -9.5583 -9.5583 -9.4907 -9.4907 -9.4882 -9.4882 -8.7119 -8.7119 -8.7112 -8.7111 -8.6874 -8.6874 -8.6873 -8.6872 -8.6415 -8.6415 -8.6395 -8.6395 -0.4985 -0.4984 -0.4984 -0.4983 1.6646 1.6648 1.6651 1.6652 2.1324 2.1325 2.1326 2.1327 3.8197 3.8199 3.8210 3.8212 7.1233 7.1233 7.1259 7.1259 9.0399 9.0399 9.0423 9.0424 k =-0.2115 0.0728 0.6947 ( 4350 PWs) bands (ev): -10.0372 -10.0372 -10.0363 -10.0362 -9.5587 -9.5587 -9.5581 -9.5581 -9.4915 -9.4915 -9.4890 -9.4889 -8.7118 -8.7118 -8.7110 -8.7110 -8.6872 -8.6872 -8.6870 -8.6870 -8.6428 -8.6427 -8.6407 -8.6407 -0.5200 -0.5199 -0.5199 -0.5198 1.7044 1.7046 1.7049 1.7051 2.1314 2.1315 2.1316 2.1317 3.8274 3.8276 3.8289 3.8290 7.0840 7.0841 7.0866 7.0866 9.0540 9.0540 9.0566 9.0566 k =-0.2308 0.0795 0.6947 ( 4352 PWs) bands (ev): -10.0358 -10.0357 -10.0348 -10.0348 -9.5586 -9.5585 -9.5579 -9.5579 -9.4924 -9.4924 -9.4898 -9.4898 -8.7117 -8.7117 -8.7109 -8.7109 -8.6870 -8.6870 -8.6868 -8.6868 -8.6441 -8.6441 -8.6420 -8.6419 -0.5414 -0.5413 -0.5413 -0.5412 1.7448 1.7449 1.7453 1.7454 2.1303 2.1305 2.1306 2.1307 3.8360 3.8361 3.8374 3.8376 7.0426 7.0426 7.0451 7.0451 9.0688 9.0688 9.0715 9.0715 k =-0.2500 0.0861 0.6947 ( 4350 PWs) bands (ev): -10.0344 -10.0343 -10.0334 -10.0333 -9.5583 -9.5583 -9.5577 -9.5576 -9.4933 -9.4933 -9.4906 -9.4906 -8.7116 -8.7116 -8.7107 -8.7107 -8.6867 -8.6867 -8.6865 -8.6865 -8.6455 -8.6455 -8.6433 -8.6432 -0.5625 -0.5624 -0.5624 -0.5623 1.7850 1.7852 1.7856 1.7858 2.1294 2.1295 2.1296 2.1297 3.8452 3.8454 3.8468 3.8469 6.9994 6.9994 7.0018 7.0018 9.0841 9.0841 9.0868 9.0868 k =-0.2692 0.0927 0.6947 ( 4358 PWs) bands (ev): -10.0329 -10.0328 -10.0319 -10.0318 -9.5582 -9.5581 -9.5575 -9.5575 -9.4943 -9.4942 -9.4915 -9.4915 -8.7115 -8.7115 -8.7106 -8.7106 -8.6865 -8.6865 -8.6863 -8.6863 -8.6469 -8.6468 -8.6446 -8.6446 -0.5830 -0.5829 -0.5829 -0.5828 1.8246 1.8248 1.8253 1.8254 2.1286 2.1287 2.1288 2.1289 3.8552 3.8553 3.8567 3.8569 6.9552 6.9552 6.9574 6.9574 9.0996 9.0996 9.1023 9.1023 k =-0.2885 0.0993 0.6947 ( 4348 PWs) bands (ev): -10.0314 -10.0313 -10.0305 -10.0304 -9.5579 -9.5579 -9.5572 -9.5572 -9.4951 -9.4951 -9.4924 -9.4924 -8.7113 -8.7113 -8.7105 -8.7104 -8.6862 -8.6862 -8.6860 -8.6859 -8.6482 -8.6482 -8.6460 -8.6459 -0.6026 -0.6026 -0.6025 -0.6025 1.8630 1.8632 1.8637 1.8638 2.1279 2.1280 2.1282 2.1283 3.8657 3.8658 3.8673 3.8674 6.9105 6.9105 6.9126 6.9126 9.1151 9.1151 9.1178 9.1178 k =-0.3077 0.1059 0.6947 ( 4358 PWs) bands (ev): -10.0300 -10.0299 -10.0291 -10.0290 -9.5577 -9.5577 -9.5570 -9.5570 -9.4960 -9.4960 -9.4934 -9.4934 -8.7112 -8.7112 -8.7104 -8.7103 -8.6860 -8.6860 -8.6857 -8.6857 -8.6496 -8.6496 -8.6474 -8.6473 -0.6212 -0.6211 -0.6211 -0.6210 1.8996 1.8997 1.9003 1.9004 2.1276 2.1277 2.1279 2.1280 3.8766 3.8768 3.8782 3.8783 6.8660 6.8661 6.8680 6.8680 9.1304 9.1304 9.1330 9.1331 k =-0.3269 0.1126 0.6947 ( 4362 PWs) bands (ev): -10.0286 -10.0285 -10.0277 -10.0276 -9.5575 -9.5575 -9.5568 -9.5568 -9.4968 -9.4968 -9.4943 -9.4943 -8.7110 -8.7110 -8.7102 -8.7102 -8.6857 -8.6857 -8.6854 -8.6854 -8.6509 -8.6509 -8.6487 -8.6487 -0.6385 -0.6384 -0.6384 -0.6384 1.9337 1.9339 1.9345 1.9346 2.1276 2.1277 2.1279 2.1280 3.8878 3.8880 3.8893 3.8895 6.8226 6.8227 6.8244 6.8244 9.1453 9.1453 9.1478 9.1478 k =-0.3462 0.1192 0.6947 ( 4358 PWs) bands (ev): -10.0273 -10.0272 -10.0265 -10.0264 -9.5572 -9.5572 -9.5566 -9.5566 -9.4975 -9.4975 -9.4952 -9.4952 -8.7109 -8.7108 -8.7101 -8.7101 -8.6855 -8.6854 -8.6851 -8.6851 -8.6521 -8.6521 -8.6500 -8.6500 -0.6544 -0.6543 -0.6543 -0.6543 1.9650 1.9651 1.9657 1.9659 2.1281 2.1282 2.1284 2.1286 3.8990 3.8992 3.9005 3.9006 6.7810 6.7810 6.7825 6.7825 9.1595 9.1596 9.1619 9.1619 k =-0.3654 0.1258 0.6947 ( 4354 PWs) bands (ev): -10.0261 -10.0260 -10.0253 -10.0252 -9.5570 -9.5570 -9.5564 -9.5564 -9.4982 -9.4982 -9.4960 -9.4960 -8.7107 -8.7107 -8.7100 -8.7100 -8.6852 -8.6851 -8.6848 -8.6848 -8.6532 -8.6532 -8.6513 -8.6513 -0.6687 -0.6687 -0.6686 -0.6686 1.9927 1.9929 1.9935 1.9937 2.1292 2.1293 2.1296 2.1298 3.9100 3.9101 3.9114 3.9115 6.7419 6.7419 6.7432 6.7432 9.1728 9.1728 9.1749 9.1749 k =-0.3846 0.1324 0.6947 ( 4362 PWs) bands (ev): -10.0250 -10.0249 -10.0243 -10.0242 -9.5568 -9.5568 -9.5562 -9.5562 -9.4988 -9.4988 -9.4969 -9.4968 -8.7106 -8.7105 -8.7099 -8.7099 -8.6849 -8.6849 -8.6845 -8.6845 -8.6542 -8.6542 -8.6525 -8.6524 -0.6814 -0.6813 -0.6813 -0.6812 2.0165 2.0166 2.0172 2.0174 2.1313 2.1314 2.1317 2.1318 3.9204 3.9206 3.9217 3.9218 6.7060 6.7061 6.7072 6.7072 9.1849 9.1849 9.1868 9.1868 k =-0.4038 0.1391 0.6947 ( 4366 PWs) bands (ev): -10.0240 -10.0239 -10.0234 -10.0234 -9.5566 -9.5566 -9.5561 -9.5561 -9.4993 -9.4993 -9.4976 -9.4976 -8.7104 -8.7104 -8.7099 -8.7099 -8.6846 -8.6846 -8.6843 -8.6843 -8.6551 -8.6551 -8.6536 -8.6536 -0.6922 -0.6922 -0.6921 -0.6921 2.0358 2.0360 2.0365 2.0367 2.1343 2.1344 2.1347 2.1348 3.9301 3.9302 3.9311 3.9313 6.6743 6.6743 6.6752 6.6752 9.1957 9.1957 9.1973 9.1973 k =-0.4231 0.1457 0.6947 ( 4364 PWs) bands (ev): -10.0232 -10.0231 -10.0227 -10.0226 -9.5564 -9.5564 -9.5560 -9.5560 -9.4996 -9.4996 -9.4983 -9.4982 -8.7103 -8.7102 -8.7098 -8.7098 -8.6844 -8.6843 -8.6841 -8.6840 -8.6558 -8.6558 -8.6545 -8.6545 -0.7012 -0.7012 -0.7011 -0.7011 2.0506 2.0507 2.0512 2.0513 2.1382 2.1383 2.1385 2.1386 3.9385 3.9386 3.9394 3.9395 6.6472 6.6473 6.6479 6.6480 9.2048 9.2048 9.2061 9.2061 k =-0.4423 0.1523 0.6947 ( 4364 PWs) bands (ev): -10.0225 -10.0224 -10.0221 -10.0221 -9.5563 -9.5562 -9.5559 -9.5559 -9.4999 -9.4999 -9.4988 -9.4988 -8.7101 -8.7101 -8.7098 -8.7098 -8.6841 -8.6841 -8.6839 -8.6839 -8.6563 -8.6563 -8.6553 -8.6553 -0.7083 -0.7082 -0.7082 -0.7082 2.0610 2.0611 2.0615 2.0616 2.1426 2.1427 2.1428 2.1429 3.9455 3.9456 3.9461 3.9463 6.6255 6.6256 6.6260 6.6261 9.2121 9.2121 9.2131 9.2131 k =-0.4615 0.1589 0.6947 ( 4360 PWs) bands (ev): -10.0220 -10.0219 -10.0218 -10.0217 -9.5561 -9.5561 -9.5559 -9.5558 -9.5000 -9.5000 -9.4993 -9.4993 -8.7100 -8.7100 -8.7098 -8.7098 -8.6839 -8.6839 -8.6837 -8.6837 -8.6567 -8.6567 -8.6560 -8.6560 -0.7133 -0.7133 -0.7133 -0.7133 2.0677 2.0678 2.0680 2.0681 2.1466 2.1467 2.1468 2.1469 3.9507 3.9508 3.9512 3.9513 6.6096 6.6097 6.6100 6.6100 9.2175 9.2175 9.2182 9.2182 k =-0.4808 0.1655 0.6947 ( 4360 PWs) bands (ev): -10.0217 -10.0216 -10.0215 -10.0215 -9.5560 -9.5560 -9.5559 -9.5558 -9.5000 -9.5000 -9.4997 -9.4996 -8.7099 -8.7099 -8.7098 -8.7098 -8.6838 -8.6838 -8.6837 -8.6837 -8.6568 -8.6568 -8.6565 -8.6564 -0.7164 -0.7164 -0.7163 -0.7163 2.0714 2.0715 2.0715 2.0717 2.1494 2.1495 2.1495 2.1496 3.9540 3.9541 3.9542 3.9543 6.6000 6.6000 6.6002 6.6002 9.2209 9.2209 9.2212 9.2212 k =-0.5000 0.1722 0.6947 ( 4348 PWs) bands (ev): -10.0215 -10.0215 -10.0214 -10.0214 -9.5559 -9.5559 -9.5558 -9.5558 -9.4999 -9.4999 -9.4998 -9.4998 -8.7098 -8.7098 -8.7098 -8.7098 -8.6836 -8.6836 -8.6836 -8.6836 -8.6567 -8.6567 -8.6567 -8.6567 -0.7174 -0.7174 -0.7173 -0.7173 2.0726 2.0726 2.0727 2.0727 2.1505 2.1505 2.1506 2.1506 3.9552 3.9552 3.9553 3.9553 6.5968 6.5968 6.5969 6.5969 9.2221 9.2221 9.2221 9.2221 Writing output data file InCl.save init_run : 4.25s CPU 12.31s WALL ( 1 calls) electrons : 766.29s CPU 783.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.91s WALL ( 1 calls) Called by electrons: c_bands : 766.23s CPU 782.78s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.81s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.20s CPU 0.58s WALL ( 1 calls) newd : 0.49s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 378 calls) cegterg : 525.27s CPU 528.96s WALL ( 575 calls) Called by sum_band: Called by *egterg: h_psi : 264.92s CPU 271.26s WALL ( 9458 calls) s_psi : 30.50s CPU 30.87s WALL ( 9458 calls) g_psi : 0.68s CPU 0.68s WALL ( 8505 calls) cdiaghg : 165.51s CPU 163.88s WALL ( 8883 calls) cegterg:over : 46.82s CPU 44.25s WALL ( 8505 calls) cegterg:upda : 9.95s CPU 12.55s WALL ( 8505 calls) cegterg:last : 8.91s CPU 9.56s WALL ( 1709 calls) Called by h_psi: h_psi:vloc : 211.12s CPU 215.95s WALL ( 9458 calls) h_psi:vnl : 53.60s CPU 54.68s WALL ( 9458 calls) add_vuspsi : 20.27s CPU 23.39s WALL ( 9458 calls) General routines calbec : 33.31s CPU 31.17s WALL ( 9458 calls) fft : 0.40s CPU 1.39s WALL ( 19 calls) ffts : 0.01s CPU 0.56s WALL ( 4 calls) fftw : 202.15s CPU 205.19s WALL ( 1036488 calls) interpolate : 0.11s CPU 0.75s WALL ( 4 calls) davcio : 0.03s CPU 13.79s WALL ( 756 calls) Parallel routines fft_scatter : 117.59s CPU 117.27s WALL ( 1036511 calls) PWSCF : 14m41.08s CPU 17m15.53s WALL This run was terminated on: 6:43:41 27Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=