Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:16:27 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: ./Ge2N2O.save/ 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 51 29 8 1873 819 128 Max 52 30 9 1879 838 131 Sum 2449 1425 409 90091 39777 6195 bravais-lattice index = 14 lattice parameter (alat) = 10.3113 a.u. unit-cell volume = 913.9129 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.311254 celldm(2)= 1.000000 celldm(3)= 0.932652 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448424 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448424 0.893821 0.000000 ) a(3) = ( 0.000000 0.000000 0.932652 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501693 -0.000000 ) b(2) = ( 0.000000 1.118792 -0.000000 ) b(3) = ( 0.000000 0.000000 1.072211 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4663262 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090843 0.0147210 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181686 0.0294419 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272529 0.0441629 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363371 0.0588838 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454214 0.0736047 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545057 0.0883257 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0635900 0.1030466 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0726743 0.1177676 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817586 0.1324885 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908429 0.1472095 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999271 0.1619304 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090114 0.1766514 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1180957 0.1913723 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1271800 0.2060933 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1362643 0.2208142 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453486 0.2355352 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1544329 0.2502561 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635171 0.2649771 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726014 0.2796980 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1816857 0.2944190 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1907700 0.3091399 -0.0000000), wk = 0.0028249 k( 23) = ( 0.1998543 0.3238609 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089386 0.3385818 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180228 0.3533028 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2271071 0.3680237 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2361914 0.3827447 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2452757 0.3974656 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2543600 0.4121866 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2634443 0.4269075 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725286 0.4416285 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2816129 0.4563494 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2906971 0.4710704 -0.0000000), wk = 0.0028249 k( 34) = ( 0.2997814 0.4857913 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3088657 0.5005123 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3179500 0.5152332 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3270343 0.5299542 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361186 0.5446751 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3452029 0.5593961 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3452029 0.5593961 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3279427 0.5593961 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3106826 0.5593961 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2934224 0.5593961 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2761623 0.5593961 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2589021 0.5593961 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416420 0.5593961 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2243818 0.5593961 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071217 0.5593961 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898616 0.5593961 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1726014 0.5593961 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1553413 0.5593961 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1380811 0.5593961 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208210 0.5593961 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035608 0.5593961 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863007 0.5593961 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690406 0.5593961 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0517804 0.5593961 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345203 0.5593961 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172601 0.5593961 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5593961 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5593961 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5593961 0.0172937), wk = 0.0028249 k( 63) = ( 0.0000000 0.5593961 0.0345874), wk = 0.0028249 k( 64) = ( 0.0000000 0.5593961 0.0518812), wk = 0.0028249 k( 65) = ( 0.0000000 0.5593961 0.0691749), wk = 0.0028249 k( 66) = ( 0.0000000 0.5593961 0.0864686), wk = 0.0028249 k( 67) = ( 0.0000000 0.5593961 0.1037623), wk = 0.0028249 k( 68) = ( 0.0000000 0.5593961 0.1210561), wk = 0.0028249 k( 69) = ( 0.0000000 0.5593961 0.1383498), wk = 0.0028249 k( 70) = ( 0.0000000 0.5593961 0.1556435), wk = 0.0028249 k( 71) = ( 0.0000000 0.5593961 0.1729372), wk = 0.0028249 k( 72) = ( 0.0000000 0.5593961 0.1902309), wk = 0.0028249 k( 73) = ( 0.0000000 0.5593961 0.2075247), wk = 0.0028249 k( 74) = ( 0.0000000 0.5593961 0.2248184), wk = 0.0028249 k( 75) = ( 0.0000000 0.5593961 0.2421121), wk = 0.0028249 k( 76) = ( 0.0000000 0.5593961 0.2594058), wk = 0.0028249 k( 77) = ( 0.0000000 0.5593961 0.2766996), wk = 0.0028249 k( 78) = ( 0.0000000 0.5593961 0.2939933), wk = 0.0028249 k( 79) = ( 0.0000000 0.5593961 0.3112870), wk = 0.0028249 k( 80) = ( 0.0000000 0.5593961 0.3285807), wk = 0.0028249 k( 81) = ( 0.0000000 0.5593961 0.3458745), wk = 0.0028249 k( 82) = ( 0.0000000 0.5593961 0.3631682), wk = 0.0028249 k( 83) = ( 0.0000000 0.5593961 0.3804619), wk = 0.0028249 k( 84) = ( 0.0000000 0.5593961 0.3977556), wk = 0.0028249 k( 85) = ( 0.0000000 0.5593961 0.4150493), wk = 0.0028249 k( 86) = ( 0.0000000 0.5593961 0.4323431), wk = 0.0028249 k( 87) = ( 0.0000000 0.5593961 0.4496368), wk = 0.0028249 k( 88) = ( 0.0000000 0.5593961 0.4669305), wk = 0.0028249 k( 89) = ( 0.0000000 0.5593961 0.4842242), wk = 0.0028249 k( 90) = ( 0.0000000 0.5593961 0.5015180), wk = 0.0028249 k( 91) = ( 0.0000000 0.5593961 0.5188117), wk = 0.0028249 k( 92) = ( 0.0000000 0.5593961 0.5361054), wk = 0.0028249 k( 93) = ( 0.0000000 0.5593961 0.5361054), wk = 0.0028249 k( 94) = ( 0.0172601 0.5593961 0.5361054), wk = 0.0028249 k( 95) = ( 0.0345203 0.5593961 0.5361054), wk = 0.0028249 k( 96) = ( 0.0517804 0.5593961 0.5361054), wk = 0.0028249 k( 97) = ( 0.0690406 0.5593961 0.5361054), wk = 0.0028249 k( 98) = ( 0.0863007 0.5593961 0.5361054), wk = 0.0028249 k( 99) = ( 0.1035608 0.5593961 0.5361054), wk = 0.0028249 k( 100) = ( 0.1208210 0.5593961 0.5361054), wk = 0.0028249 k( 101) = ( 0.1380811 0.5593961 0.5361054), wk = 0.0028249 k( 102) = ( 0.1553413 0.5593961 0.5361054), wk = 0.0028249 k( 103) = ( 0.1726014 0.5593961 0.5361054), wk = 0.0028249 k( 104) = ( 0.1898616 0.5593961 0.5361054), wk = 0.0028249 k( 105) = ( 0.2071217 0.5593961 0.5361054), wk = 0.0028249 k( 106) = ( 0.2243818 0.5593961 0.5361054), wk = 0.0028249 k( 107) = ( 0.2416420 0.5593961 0.5361054), wk = 0.0028249 k( 108) = ( 0.2589021 0.5593961 0.5361054), wk = 0.0028249 k( 109) = ( 0.2761623 0.5593961 0.5361054), wk = 0.0028249 k( 110) = ( 0.2934224 0.5593961 0.5361054), wk = 0.0028249 k( 111) = ( 0.3106826 0.5593961 0.5361054), wk = 0.0028249 k( 112) = ( 0.3279427 0.5593961 0.5361054), wk = 0.0028249 k( 113) = ( 0.3452029 0.5593961 0.5361054), wk = 0.0028249 k( 114) = ( 0.3452029 0.5593961 0.5361054), wk = 0.0028249 k( 115) = ( 0.3361186 0.5446751 0.5361054), wk = 0.0028249 k( 116) = ( 0.3270343 0.5299542 0.5361054), wk = 0.0028249 k( 117) = ( 0.3179500 0.5152332 0.5361054), wk = 0.0028249 k( 118) = ( 0.3088657 0.5005123 0.5361054), wk = 0.0028249 k( 119) = ( 0.2997814 0.4857913 0.5361054), wk = 0.0028249 k( 120) = ( 0.2906971 0.4710704 0.5361054), wk = 0.0028249 k( 121) = ( 0.2816129 0.4563494 0.5361054), wk = 0.0028249 k( 122) = ( 0.2725286 0.4416285 0.5361054), wk = 0.0028249 k( 123) = ( 0.2634443 0.4269075 0.5361054), wk = 0.0028249 k( 124) = ( 0.2543600 0.4121866 0.5361054), wk = 0.0028249 k( 125) = ( 0.2452757 0.3974656 0.5361054), wk = 0.0028249 k( 126) = ( 0.2361914 0.3827447 0.5361054), wk = 0.0028249 k( 127) = ( 0.2271071 0.3680237 0.5361054), wk = 0.0028249 k( 128) = ( 0.2180228 0.3533028 0.5361054), wk = 0.0028249 k( 129) = ( 0.2089386 0.3385818 0.5361054), wk = 0.0028249 k( 130) = ( 0.1998543 0.3238609 0.5361054), wk = 0.0028249 k( 131) = ( 0.1907700 0.3091399 0.5361054), wk = 0.0028249 k( 132) = ( 0.1816857 0.2944190 0.5361054), wk = 0.0028249 k( 133) = ( 0.1726014 0.2796980 0.5361054), wk = 0.0028249 k( 134) = ( 0.1635171 0.2649771 0.5361054), wk = 0.0028249 k( 135) = ( 0.1544329 0.2502561 0.5361054), wk = 0.0028249 k( 136) = ( 0.1453486 0.2355352 0.5361054), wk = 0.0028249 k( 137) = ( 0.1362643 0.2208142 0.5361054), wk = 0.0028249 k( 138) = ( 0.1271800 0.2060933 0.5361054), wk = 0.0028249 k( 139) = ( 0.1180957 0.1913723 0.5361054), wk = 0.0028249 k( 140) = ( 0.1090114 0.1766514 0.5361054), wk = 0.0028249 k( 141) = ( 0.0999271 0.1619304 0.5361054), wk = 0.0028249 k( 142) = ( 0.0908429 0.1472095 0.5361054), wk = 0.0028249 k( 143) = ( 0.0817586 0.1324885 0.5361054), wk = 0.0028249 k( 144) = ( 0.0726743 0.1177676 0.5361054), wk = 0.0028249 k( 145) = ( 0.0635900 0.1030466 0.5361054), wk = 0.0028249 k( 146) = ( 0.0545057 0.0883257 0.5361054), wk = 0.0028249 k( 147) = ( 0.0454214 0.0736047 0.5361054), wk = 0.0028249 k( 148) = ( 0.0363371 0.0588838 0.5361054), wk = 0.0028249 k( 149) = ( 0.0272529 0.0441629 0.5361054), wk = 0.0028249 k( 150) = ( 0.0181686 0.0294419 0.5361054), wk = 0.0028249 k( 151) = ( 0.0090843 0.0147210 0.5361054), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5361054), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5361054), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5188117), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5015180), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4842242), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4669305), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4496368), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4323431), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4150493), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3977556), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3804619), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3631682), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3458745), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3285807), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3112870), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2939933), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2766996), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2594058), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2421121), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2248184), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2075247), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1902309), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1729372), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1556435), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1383498), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1210561), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1037623), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0864686), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0691749), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0518812), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0345874), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0172937), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090750 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181500 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272250 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0363000 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0453749 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0544499 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0635249 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0725999 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0816749 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0907499 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0998249 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1088999 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1179748 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1270498 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1361248 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1451998 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1542748 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1633498 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1724248 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1814998 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1905747 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1996497 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2087247 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2177997 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2268747 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2359497 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2450247 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2540997 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2631746 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2722496 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2813246 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2903996 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2994746 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3085496 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3085496 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908943 0.3233053 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4817886 0.3380609 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4726829 0.3528166 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4635771 0.3675723 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544714 0.3823280 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4453657 0.3970836 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362600 0.4118393 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4271543 0.4265950 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180486 0.4413507 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4089429 0.4561063 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998371 0.4708620 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3907314 0.4856177 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816257 0.5003734 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3725200 0.5151290 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3634143 0.5298847 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3543086 0.5446404 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3452029 0.5593961 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3452029 0.5593961 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3452029 0.5593961 0.0172937), wk = 0.0028249 k( 240) = ( -0.3452029 0.5593961 0.0345874), wk = 0.0028249 k( 241) = ( -0.3452029 0.5593961 0.0518812), wk = 0.0028249 k( 242) = ( -0.3452029 0.5593961 0.0691749), wk = 0.0028249 k( 243) = ( -0.3452029 0.5593961 0.0864686), wk = 0.0028249 k( 244) = ( -0.3452029 0.5593961 0.1037623), wk = 0.0028249 k( 245) = ( -0.3452029 0.5593961 0.1210561), wk = 0.0028249 k( 246) = ( -0.3452029 0.5593961 0.1383498), wk = 0.0028249 k( 247) = ( -0.3452029 0.5593961 0.1556435), wk = 0.0028249 k( 248) = ( -0.3452029 0.5593961 0.1729372), wk = 0.0028249 k( 249) = ( -0.3452029 0.5593961 0.1902309), wk = 0.0028249 k( 250) = ( -0.3452029 0.5593961 0.2075247), wk = 0.0028249 k( 251) = ( -0.3452029 0.5593961 0.2248184), wk = 0.0028249 k( 252) = ( -0.3452029 0.5593961 0.2421121), wk = 0.0028249 k( 253) = ( -0.3452029 0.5593961 0.2594058), wk = 0.0028249 k( 254) = ( -0.3452029 0.5593961 0.2766996), wk = 0.0028249 k( 255) = ( -0.3452029 0.5593961 0.2939933), wk = 0.0028249 k( 256) = ( -0.3452029 0.5593961 0.3112870), wk = 0.0028249 k( 257) = ( -0.3452029 0.5593961 0.3285807), wk = 0.0028249 k( 258) = ( -0.3452029 0.5593961 0.3458745), wk = 0.0028249 k( 259) = ( -0.3452029 0.5593961 0.3631682), wk = 0.0028249 k( 260) = ( -0.3452029 0.5593961 0.3804619), wk = 0.0028249 k( 261) = ( -0.3452029 0.5593961 0.3977556), wk = 0.0028249 k( 262) = ( -0.3452029 0.5593961 0.4150493), wk = 0.0028249 k( 263) = ( -0.3452029 0.5593961 0.4323431), wk = 0.0028249 k( 264) = ( -0.3452029 0.5593961 0.4496368), wk = 0.0028249 k( 265) = ( -0.3452029 0.5593961 0.4669305), wk = 0.0028249 k( 266) = ( -0.3452029 0.5593961 0.4842242), wk = 0.0028249 k( 267) = ( -0.3452029 0.5593961 0.5015180), wk = 0.0028249 k( 268) = ( -0.3452029 0.5593961 0.5188117), wk = 0.0028249 k( 269) = ( -0.3452029 0.5593961 0.5361054), wk = 0.0028249 k( 270) = ( -0.3452029 0.5593961 0.5361054), wk = 0.0028249 k( 271) = ( -0.3543086 0.5446404 0.5361054), wk = 0.0028249 k( 272) = ( -0.3634143 0.5298847 0.5361054), wk = 0.0028249 k( 273) = ( -0.3725200 0.5151290 0.5361054), wk = 0.0028249 k( 274) = ( -0.3816257 0.5003734 0.5361054), wk = 0.0028249 k( 275) = ( -0.3907314 0.4856177 0.5361054), wk = 0.0028249 k( 276) = ( -0.3998371 0.4708620 0.5361054), wk = 0.0028249 k( 277) = ( -0.4089429 0.4561063 0.5361054), wk = 0.0028249 k( 278) = ( -0.4180486 0.4413507 0.5361054), wk = 0.0028249 k( 279) = ( -0.4271543 0.4265950 0.5361054), wk = 0.0028249 k( 280) = ( -0.4362600 0.4118393 0.5361054), wk = 0.0028249 k( 281) = ( -0.4453657 0.3970836 0.5361054), wk = 0.0028249 k( 282) = ( -0.4544714 0.3823280 0.5361054), wk = 0.0028249 k( 283) = ( -0.4635771 0.3675723 0.5361054), wk = 0.0028249 k( 284) = ( -0.4726829 0.3528166 0.5361054), wk = 0.0028249 k( 285) = ( -0.4817886 0.3380609 0.5361054), wk = 0.0028249 k( 286) = ( -0.4908943 0.3233053 0.5361054), wk = 0.0028249 k( 287) = ( -0.5000000 0.3085496 0.5361054), wk = 0.0028249 k( 288) = ( -0.5000000 0.3085496 0.5361054), wk = 0.0028249 k( 289) = ( -0.5000000 0.3085496 0.5188117), wk = 0.0028249 k( 290) = ( -0.5000000 0.3085496 0.5015180), wk = 0.0028249 k( 291) = ( -0.5000000 0.3085496 0.4842242), wk = 0.0028249 k( 292) = ( -0.5000000 0.3085496 0.4669305), wk = 0.0028249 k( 293) = ( -0.5000000 0.3085496 0.4496368), wk = 0.0028249 k( 294) = ( -0.5000000 0.3085496 0.4323431), wk = 0.0028249 k( 295) = ( -0.5000000 0.3085496 0.4150493), wk = 0.0028249 k( 296) = ( -0.5000000 0.3085496 0.3977556), wk = 0.0028249 k( 297) = ( -0.5000000 0.3085496 0.3804619), wk = 0.0028249 k( 298) = ( -0.5000000 0.3085496 0.3631682), wk = 0.0028249 k( 299) = ( -0.5000000 0.3085496 0.3458745), wk = 0.0028249 k( 300) = ( -0.5000000 0.3085496 0.3285807), wk = 0.0028249 k( 301) = ( -0.5000000 0.3085496 0.3112870), wk = 0.0028249 k( 302) = ( -0.5000000 0.3085496 0.2939933), wk = 0.0028249 k( 303) = ( -0.5000000 0.3085496 0.2766996), wk = 0.0028249 k( 304) = ( -0.5000000 0.3085496 0.2594058), wk = 0.0028249 k( 305) = ( -0.5000000 0.3085496 0.2421121), wk = 0.0028249 k( 306) = ( -0.5000000 0.3085496 0.2248184), wk = 0.0028249 k( 307) = ( -0.5000000 0.3085496 0.2075247), wk = 0.0028249 k( 308) = ( -0.5000000 0.3085496 0.1902309), wk = 0.0028249 k( 309) = ( -0.5000000 0.3085496 0.1729372), wk = 0.0028249 k( 310) = ( -0.5000000 0.3085496 0.1556435), wk = 0.0028249 k( 311) = ( -0.5000000 0.3085496 0.1383498), wk = 0.0028249 k( 312) = ( -0.5000000 0.3085496 0.1210561), wk = 0.0028249 k( 313) = ( -0.5000000 0.3085496 0.1037623), wk = 0.0028249 k( 314) = ( -0.5000000 0.3085496 0.0864686), wk = 0.0028249 k( 315) = ( -0.5000000 0.3085496 0.0691749), wk = 0.0028249 k( 316) = ( -0.5000000 0.3085496 0.0518812), wk = 0.0028249 k( 317) = ( -0.5000000 0.3085496 0.0345874), wk = 0.0028249 k( 318) = ( -0.5000000 0.3085496 0.0172937), wk = 0.0028249 k( 319) = ( -0.5000000 0.3085496 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5361054), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090750 0.5361054), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181500 0.5361054), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272250 0.5361054), wk = 0.0028249 k( 324) = ( -0.0588235 0.0363000 0.5361054), wk = 0.0028249 k( 325) = ( -0.0735294 0.0453749 0.5361054), wk = 0.0028249 k( 326) = ( -0.0882353 0.0544499 0.5361054), wk = 0.0028249 k( 327) = ( -0.1029412 0.0635249 0.5361054), wk = 0.0028249 k( 328) = ( -0.1176471 0.0725999 0.5361054), wk = 0.0028249 k( 329) = ( -0.1323529 0.0816749 0.5361054), wk = 0.0028249 k( 330) = ( -0.1470588 0.0907499 0.5361054), wk = 0.0028249 k( 331) = ( -0.1617647 0.0998249 0.5361054), wk = 0.0028249 k( 332) = ( -0.1764706 0.1088999 0.5361054), wk = 0.0028249 k( 333) = ( -0.1911765 0.1179748 0.5361054), wk = 0.0028249 k( 334) = ( -0.2058823 0.1270498 0.5361054), wk = 0.0028249 k( 335) = ( -0.2205882 0.1361248 0.5361054), wk = 0.0028249 k( 336) = ( -0.2352941 0.1451998 0.5361054), wk = 0.0028249 k( 337) = ( -0.2500000 0.1542748 0.5361054), wk = 0.0028249 k( 338) = ( -0.2647059 0.1633498 0.5361054), wk = 0.0028249 k( 339) = ( -0.2794118 0.1724248 0.5361054), wk = 0.0028249 k( 340) = ( -0.2941177 0.1814998 0.5361054), wk = 0.0028249 k( 341) = ( -0.3088235 0.1905747 0.5361054), wk = 0.0028249 k( 342) = ( -0.3235294 0.1996497 0.5361054), wk = 0.0028249 k( 343) = ( -0.3382353 0.2087247 0.5361054), wk = 0.0028249 k( 344) = ( -0.3529412 0.2177997 0.5361054), wk = 0.0028249 k( 345) = ( -0.3676471 0.2268747 0.5361054), wk = 0.0028249 k( 346) = ( -0.3823529 0.2359497 0.5361054), wk = 0.0028249 k( 347) = ( -0.3970588 0.2450247 0.5361054), wk = 0.0028249 k( 348) = ( -0.4117647 0.2540997 0.5361054), wk = 0.0028249 k( 349) = ( -0.4264706 0.2631746 0.5361054), wk = 0.0028249 k( 350) = ( -0.4411765 0.2722496 0.5361054), wk = 0.0028249 k( 351) = ( -0.4558823 0.2813246 0.5361054), wk = 0.0028249 k( 352) = ( -0.4705882 0.2903996 0.5361054), wk = 0.0028249 k( 353) = ( -0.4852941 0.2994746 0.5361054), wk = 0.0028249 k( 354) = ( -0.5000000 0.3085496 0.5361054), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090843 0.0090843 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181686 0.0181686 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272529 0.0272529 0.0000000), wk = 0.0028249 k( 5) = ( 0.0363371 0.0363371 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454214 0.0454214 0.0000000), wk = 0.0028249 k( 7) = ( 0.0545057 0.0545057 0.0000000), wk = 0.0028249 k( 8) = ( 0.0635900 0.0635900 0.0000000), wk = 0.0028249 k( 9) = ( 0.0726743 0.0726743 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0817586 0.0817586 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0908429 0.0908428 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0999271 0.0999271 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1090114 0.1090114 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1180957 0.1180957 0.0000000), wk = 0.0028249 k( 15) = ( 0.1271800 0.1271800 0.0000000), wk = 0.0028249 k( 16) = ( 0.1362643 0.1362643 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1453486 0.1453486 0.0000000), wk = 0.0028249 k( 18) = ( 0.1544329 0.1544328 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1635171 0.1635171 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1726014 0.1726014 0.0000000), wk = 0.0028249 k( 21) = ( 0.1816857 0.1816857 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1907700 0.1907700 0.0000000), wk = 0.0028249 k( 23) = ( 0.1998543 0.1998543 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2089386 0.2089386 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2180228 0.2180228 0.0000000), wk = 0.0028249 k( 26) = ( 0.2271071 0.2271071 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2361914 0.2361914 0.0000000), wk = 0.0028249 k( 28) = ( 0.2452757 0.2452757 0.0000000), wk = 0.0028249 k( 29) = ( 0.2543600 0.2543600 0.0000000), wk = 0.0028249 k( 30) = ( 0.2634443 0.2634443 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2725286 0.2725286 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2816129 0.2816128 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2906971 0.2906971 0.0000000), wk = 0.0028249 k( 34) = ( 0.2997814 0.2997814 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3088657 0.3088657 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3179500 0.3179500 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3270343 0.3270343 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3361186 0.3361186 0.0000000), wk = 0.0028249 k( 39) = ( 0.3452029 0.3452029 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3452029 0.3452029 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3279427 0.3529427 0.0000000), wk = 0.0028249 k( 42) = ( 0.3106826 0.3606826 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2934224 0.3684224 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2761623 0.3761623 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2589021 0.3839021 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2416420 0.3916420 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2243818 0.3993818 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2071217 0.4071217 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1898616 0.4148616 0.0000000), wk = 0.0028249 k( 50) = ( 0.1726014 0.4226014 0.0000000), wk = 0.0028249 k( 51) = ( 0.1553413 0.4303413 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1380811 0.4380811 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1208210 0.4458210 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1035608 0.4535608 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863007 0.4613007 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690406 0.4690406 0.0000000), wk = 0.0028249 k( 57) = ( 0.0517804 0.4767804 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345203 0.4845203 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172601 0.4922601 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172601 0.4922601 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345203 0.4845203 0.5000000), wk = 0.0028249 k( 96) = ( 0.0517804 0.4767804 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690406 0.4690406 0.5000000), wk = 0.0028249 k( 98) = ( 0.0863007 0.4613007 0.5000000), wk = 0.0028249 k( 99) = ( 0.1035608 0.4535608 0.5000000), wk = 0.0028249 k( 100) = ( 0.1208210 0.4458210 0.5000000), wk = 0.0028249 k( 101) = ( 0.1380811 0.4380811 0.5000000), wk = 0.0028249 k( 102) = ( 0.1553413 0.4303413 0.5000000), wk = 0.0028249 k( 103) = ( 0.1726014 0.4226014 0.5000000), wk = 0.0028249 k( 104) = ( 0.1898616 0.4148616 0.5000000), wk = 0.0028249 k( 105) = ( 0.2071217 0.4071217 0.5000000), wk = 0.0028249 k( 106) = ( 0.2243818 0.3993818 0.5000000), wk = 0.0028249 k( 107) = ( 0.2416420 0.3916420 0.5000000), wk = 0.0028249 k( 108) = ( 0.2589021 0.3839021 0.5000000), wk = 0.0028249 k( 109) = ( 0.2761623 0.3761623 0.5000000), wk = 0.0028249 k( 110) = ( 0.2934224 0.3684224 0.5000000), wk = 0.0028249 k( 111) = ( 0.3106826 0.3606826 0.5000000), wk = 0.0028249 k( 112) = ( 0.3279427 0.3529427 0.5000000), wk = 0.0028249 k( 113) = ( 0.3452029 0.3452029 0.5000000), wk = 0.0028249 k( 114) = ( 0.3452029 0.3452029 0.5000000), wk = 0.0028249 k( 115) = ( 0.3361186 0.3361186 0.5000000), wk = 0.0028249 k( 116) = ( 0.3270343 0.3270343 0.5000000), wk = 0.0028249 k( 117) = ( 0.3179500 0.3179500 0.5000000), wk = 0.0028249 k( 118) = ( 0.3088657 0.3088657 0.5000000), wk = 0.0028249 k( 119) = ( 0.2997814 0.2997814 0.5000000), wk = 0.0028249 k( 120) = ( 0.2906971 0.2906971 0.5000000), wk = 0.0028249 k( 121) = ( 0.2816129 0.2816128 0.5000000), wk = 0.0028249 k( 122) = ( 0.2725286 0.2725286 0.5000000), wk = 0.0028249 k( 123) = ( 0.2634443 0.2634443 0.5000000), wk = 0.0028249 k( 124) = ( 0.2543600 0.2543600 0.5000000), wk = 0.0028249 k( 125) = ( 0.2452757 0.2452757 0.5000000), wk = 0.0028249 k( 126) = ( 0.2361914 0.2361914 0.5000000), wk = 0.0028249 k( 127) = ( 0.2271071 0.2271071 0.5000000), wk = 0.0028249 k( 128) = ( 0.2180228 0.2180228 0.5000000), wk = 0.0028249 k( 129) = ( 0.2089386 0.2089386 0.5000000), wk = 0.0028249 k( 130) = ( 0.1998543 0.1998543 0.5000000), wk = 0.0028249 k( 131) = ( 0.1907700 0.1907700 0.5000000), wk = 0.0028249 k( 132) = ( 0.1816857 0.1816857 0.5000000), wk = 0.0028249 k( 133) = ( 0.1726014 0.1726014 0.5000000), wk = 0.0028249 k( 134) = ( 0.1635171 0.1635171 0.5000000), wk = 0.0028249 k( 135) = ( 0.1544329 0.1544328 0.5000000), wk = 0.0028249 k( 136) = ( 0.1453486 0.1453486 0.5000000), wk = 0.0028249 k( 137) = ( 0.1362643 0.1362643 0.5000000), wk = 0.0028249 k( 138) = ( 0.1271800 0.1271800 0.5000000), wk = 0.0028249 k( 139) = ( 0.1180957 0.1180957 0.5000000), wk = 0.0028249 k( 140) = ( 0.1090114 0.1090114 0.5000000), wk = 0.0028249 k( 141) = ( 0.0999271 0.0999271 0.5000000), wk = 0.0028249 k( 142) = ( 0.0908429 0.0908428 0.5000000), wk = 0.0028249 k( 143) = ( 0.0817586 0.0817586 0.5000000), wk = 0.0028249 k( 144) = ( 0.0726743 0.0726743 0.5000000), wk = 0.0028249 k( 145) = ( 0.0635900 0.0635900 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545057 0.0545057 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454214 0.0454214 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363371 0.0363371 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272529 0.0272529 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181686 0.0181686 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090843 0.0090843 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441176 -0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941177 -0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 221) = ( -0.4908943 0.5091057 0.0000000), wk = 0.0028249 k( 222) = ( -0.4817886 0.5182114 0.0000000), wk = 0.0028249 k( 223) = ( -0.4726829 0.5273171 0.0000000), wk = 0.0028249 k( 224) = ( -0.4635771 0.5364229 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4544714 0.5455286 0.0000000), wk = 0.0028249 k( 226) = ( -0.4453657 0.5546343 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4362600 0.5637400 0.0000000), wk = 0.0028249 k( 228) = ( -0.4271543 0.5728457 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4180486 0.5819514 0.0000000), wk = 0.0028249 k( 230) = ( -0.4089429 0.5910571 -0.0000000), wk = 0.0028249 k( 231) = ( -0.3998371 0.6001629 0.0000000), wk = 0.0028249 k( 232) = ( -0.3907314 0.6092686 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3816257 0.6183743 0.0000000), wk = 0.0028249 k( 234) = ( -0.3725200 0.6274800 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3634143 0.6365857 0.0000000), wk = 0.0028249 k( 236) = ( -0.3543086 0.6456914 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3452029 0.6547972 0.0000000), wk = 0.0028249 k( 238) = ( -0.3452029 0.6547972 0.0000000), wk = 0.0028249 k( 239) = ( -0.3452029 0.6547972 0.0161290), wk = 0.0028249 k( 240) = ( -0.3452029 0.6547972 0.0322581), wk = 0.0028249 k( 241) = ( -0.3452029 0.6547972 0.0483871), wk = 0.0028249 k( 242) = ( -0.3452029 0.6547972 0.0645161), wk = 0.0028249 k( 243) = ( -0.3452029 0.6547972 0.0806452), wk = 0.0028249 k( 244) = ( -0.3452029 0.6547972 0.0967742), wk = 0.0028249 k( 245) = ( -0.3452029 0.6547972 0.1129032), wk = 0.0028249 k( 246) = ( -0.3452029 0.6547972 0.1290323), wk = 0.0028249 k( 247) = ( -0.3452029 0.6547972 0.1451613), wk = 0.0028249 k( 248) = ( -0.3452029 0.6547972 0.1612903), wk = 0.0028249 k( 249) = ( -0.3452029 0.6547972 0.1774194), wk = 0.0028249 k( 250) = ( -0.3452029 0.6547972 0.1935484), wk = 0.0028249 k( 251) = ( -0.3452029 0.6547972 0.2096774), wk = 0.0028249 k( 252) = ( -0.3452029 0.6547972 0.2258065), wk = 0.0028249 k( 253) = ( -0.3452029 0.6547972 0.2419355), wk = 0.0028249 k( 254) = ( -0.3452029 0.6547972 0.2580645), wk = 0.0028249 k( 255) = ( -0.3452029 0.6547972 0.2741936), wk = 0.0028249 k( 256) = ( -0.3452029 0.6547972 0.2903226), wk = 0.0028249 k( 257) = ( -0.3452029 0.6547972 0.3064516), wk = 0.0028249 k( 258) = ( -0.3452029 0.6547972 0.3225807), wk = 0.0028249 k( 259) = ( -0.3452029 0.6547972 0.3387097), wk = 0.0028249 k( 260) = ( -0.3452029 0.6547972 0.3548387), wk = 0.0028249 k( 261) = ( -0.3452029 0.6547972 0.3709677), wk = 0.0028249 k( 262) = ( -0.3452029 0.6547972 0.3870968), wk = 0.0028249 k( 263) = ( -0.3452029 0.6547972 0.4032258), wk = 0.0028249 k( 264) = ( -0.3452029 0.6547972 0.4193548), wk = 0.0028249 k( 265) = ( -0.3452029 0.6547972 0.4354839), wk = 0.0028249 k( 266) = ( -0.3452029 0.6547972 0.4516129), wk = 0.0028249 k( 267) = ( -0.3452029 0.6547972 0.4677419), wk = 0.0028249 k( 268) = ( -0.3452029 0.6547972 0.4838710), wk = 0.0028249 k( 269) = ( -0.3452029 0.6547972 0.5000000), wk = 0.0028249 k( 270) = ( -0.3452029 0.6547972 0.5000000), wk = 0.0028249 k( 271) = ( -0.3543086 0.6456914 0.5000000), wk = 0.0028249 k( 272) = ( -0.3634143 0.6365857 0.5000000), wk = 0.0028249 k( 273) = ( -0.3725200 0.6274800 0.5000000), wk = 0.0028249 k( 274) = ( -0.3816257 0.6183743 0.5000000), wk = 0.0028249 k( 275) = ( -0.3907314 0.6092686 0.5000000), wk = 0.0028249 k( 276) = ( -0.3998371 0.6001629 0.5000000), wk = 0.0028249 k( 277) = ( -0.4089429 0.5910571 0.5000000), wk = 0.0028249 k( 278) = ( -0.4180486 0.5819514 0.5000000), wk = 0.0028249 k( 279) = ( -0.4271543 0.5728457 0.5000000), wk = 0.0028249 k( 280) = ( -0.4362600 0.5637400 0.5000000), wk = 0.0028249 k( 281) = ( -0.4453657 0.5546343 0.5000000), wk = 0.0028249 k( 282) = ( -0.4544714 0.5455286 0.5000000), wk = 0.0028249 k( 283) = ( -0.4635771 0.5364229 0.5000000), wk = 0.0028249 k( 284) = ( -0.4726829 0.5273171 0.5000000), wk = 0.0028249 k( 285) = ( -0.4817886 0.5182114 0.5000000), wk = 0.0028249 k( 286) = ( -0.4908943 0.5091057 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258065), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 90091 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39777 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 220, 58) NL pseudopotentials 0.23 Mb ( 110, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1879) G-vector shells 0.01 Mb ( 965) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 220, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.7 secs Computing kpt #: 3 total cpu time spent up to now is 46.6 secs Computing kpt #: 4 total cpu time spent up to now is 49.5 secs Computing kpt #: 5 total cpu time spent up to now is 53.6 secs Computing kpt #: 6 total cpu time spent up to now is 57.0 secs Computing kpt #: 7 total cpu time spent up to now is 60.3 secs Computing kpt #: 8 total cpu time spent up to now is 64.3 secs Computing kpt #: 9 total cpu time spent up to now is 68.3 secs Computing kpt #: 10 total cpu time spent up to now is 72.1 secs Computing kpt #: 11 total cpu time spent up to now is 75.6 secs Computing kpt #: 12 total cpu time spent up to now is 79.2 secs Computing kpt #: 13 total cpu time spent up to now is 83.9 secs Computing kpt #: 14 total cpu time spent up to now is 88.0 secs Computing kpt #: 15 total cpu time spent up to now is 91.0 secs Computing kpt #: 16 total cpu time spent up to now is 93.8 secs Computing kpt #: 17 total cpu time spent up to now is 96.4 secs Computing kpt #: 18 total cpu time spent up to now is 98.7 secs Computing kpt #: 19 total cpu time spent up to now is 101.4 secs Computing kpt #: 20 total cpu time spent up to now is 103.7 secs Computing kpt #: 21 total cpu time spent up to now is 106.1 secs Computing kpt #: 22 total cpu time spent up to now is 108.6 secs Computing kpt #: 23 total cpu time spent up to now is 110.8 secs Computing kpt #: 24 total cpu time spent up to now is 113.1 secs Computing kpt #: 25 total cpu time spent up to now is 115.3 secs Computing kpt #: 26 total cpu time spent up to now is 117.5 secs Computing kpt #: 27 total cpu time spent up to now is 119.8 secs Computing kpt #: 28 total cpu time spent up to now is 122.2 secs Computing kpt #: 29 total cpu time spent up to now is 124.6 secs Computing kpt #: 30 total cpu time spent up to now is 127.3 secs Computing kpt #: 31 total cpu time spent up to now is 129.5 secs Computing kpt #: 32 total cpu time spent up to now is 131.6 secs Computing kpt #: 33 total cpu time spent up to now is 133.8 secs Computing kpt #: 34 total cpu time spent up to now is 136.1 secs Computing kpt #: 35 total cpu time spent up to now is 139.0 secs Computing kpt #: 36 total cpu time spent up to now is 141.1 secs Computing kpt #: 37 total cpu time spent up to now is 143.4 secs Computing kpt #: 38 total cpu time spent up to now is 146.1 secs Computing kpt #: 39 total cpu time spent up to now is 149.9 secs Computing kpt #: 40 total cpu time spent up to now is 153.0 secs Computing kpt #: 41 total cpu time spent up to now is 155.4 secs Computing kpt #: 42 total cpu time spent up to now is 158.3 secs Computing kpt #: 43 total cpu time spent up to now is 160.5 secs Computing kpt #: 44 total cpu time spent up to now is 162.8 secs Computing kpt #: 45 total cpu time spent up to now is 165.6 secs Computing kpt #: 46 total cpu time spent up to now is 167.8 secs Computing kpt #: 47 total cpu time spent up to now is 170.0 secs Computing kpt #: 48 total cpu time spent up to now is 172.4 secs Computing kpt #: 49 total cpu time spent up to now is 175.0 secs Computing kpt #: 50 total cpu time spent up to now is 177.4 secs Computing kpt #: 51 total cpu time spent up to now is 179.9 secs Computing kpt #: 52 total cpu time spent up to now is 183.0 secs Computing kpt #: 53 total cpu time spent up to now is 185.5 secs Computing kpt #: 54 total cpu time spent up to now is 188.3 secs Computing kpt #: 55 total cpu time spent up to now is 191.3 secs Computing kpt #: 56 total cpu time spent up to now is 194.1 secs Computing kpt #: 57 total cpu time spent up to now is 196.9 secs Computing kpt #: 58 total cpu time spent up to now is 200.4 secs Computing kpt #: 59 total cpu time spent up to now is 203.8 secs Computing kpt #: 60 total cpu time spent up to now is 207.1 secs Computing kpt #: 61 total cpu time spent up to now is 210.7 secs Computing kpt #: 62 total cpu time spent up to now is 213.6 secs Computing kpt #: 63 total cpu time spent up to now is 216.8 secs Computing kpt #: 64 total cpu time spent up to now is 219.9 secs Computing kpt #: 65 total cpu time spent up to now is 222.5 secs Computing kpt #: 66 total cpu time spent up to now is 225.1 secs Computing kpt #: 67 total cpu time spent up to now is 227.5 secs Computing kpt #: 68 total cpu time spent up to now is 229.8 secs Computing kpt #: 69 total cpu time spent up to now is 232.1 secs Computing kpt #: 70 total cpu time spent up to now is 234.8 secs Computing kpt #: 71 total cpu time spent up to now is 237.5 secs Computing kpt #: 72 total cpu time spent up to now is 240.1 secs Computing kpt #: 73 total cpu time spent up to now is 243.4 secs Computing kpt #: 74 total cpu time spent up to now is 246.1 secs Computing kpt #: 75 total cpu time spent up to now is 249.1 secs Computing kpt #: 76 total cpu time spent up to now is 252.5 secs Computing kpt #: 77 total cpu time spent up to now is 255.9 secs Computing kpt #: 78 total cpu time spent up to now is 260.5 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.7 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.0 secs Computing kpt #: 81 total cpu time spent up to now is 274.8 secs Computing kpt #: 82 total cpu time spent up to now is 278.4 secs Computing kpt #: 83 total cpu time spent up to now is 281.9 secs Computing kpt #: 84 total cpu time spent up to now is 284.6 secs Computing kpt #: 85 total cpu time spent up to now is 287.3 secs Computing kpt #: 86 total cpu time spent up to now is 290.3 secs Computing kpt #: 87 total cpu time spent up to now is 293.0 secs Computing kpt #: 88 total cpu time spent up to now is 295.7 secs Computing kpt #: 89 total cpu time spent up to now is 299.0 secs Computing kpt #: 90 total cpu time spent up to now is 302.4 secs Computing kpt #: 91 total cpu time spent up to now is 305.9 secs Computing kpt #: 92 total cpu time spent up to now is 309.3 secs Computing kpt #: 93 total cpu time spent up to now is 312.0 secs Computing kpt #: 94 total cpu time spent up to now is 314.8 secs Computing kpt #: 95 total cpu time spent up to now is 318.0 secs Computing kpt #: 96 total cpu time spent up to now is 320.8 secs Computing kpt #: 97 total cpu time spent up to now is 323.5 secs Computing kpt #: 98 total cpu time spent up to now is 326.5 secs Computing kpt #: 99 total cpu time spent up to now is 329.2 secs Computing kpt #: 100 total cpu time spent up to now is 331.9 secs Computing kpt #: 101 total cpu time spent up to now is 334.6 secs Computing kpt #: 102 total cpu time spent up to now is 337.2 secs Computing kpt #: 103 total cpu time spent up to now is 340.7 secs Computing kpt #: 104 total cpu time spent up to now is 343.5 secs Computing kpt #: 105 total cpu time spent up to now is 346.2 secs Computing kpt #: 106 total cpu time spent up to now is 349.0 secs Computing kpt #: 107 total cpu time spent up to now is 351.9 secs Computing kpt #: 108 total cpu time spent up to now is 354.8 secs Computing kpt #: 109 total cpu time spent up to now is 358.3 secs Computing kpt #: 110 total cpu time spent up to now is 361.3 secs Computing kpt #: 111 total cpu time spent up to now is 364.1 secs Computing kpt #: 112 total cpu time spent up to now is 367.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.0 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 376.7 secs Computing kpt #: 115 total cpu time spent up to now is 380.9 secs Computing kpt #: 116 total cpu time spent up to now is 384.3 secs Computing kpt #: 117 total cpu time spent up to now is 387.1 secs Computing kpt #: 118 total cpu time spent up to now is 389.9 secs Computing kpt #: 119 total cpu time spent up to now is 393.3 secs Computing kpt #: 120 total cpu time spent up to now is 396.6 secs Computing kpt #: 121 total cpu time spent up to now is 399.4 secs Computing kpt #: 122 total cpu time spent up to now is 402.4 secs Computing kpt #: 123 total cpu time spent up to now is 405.6 secs Computing kpt #: 124 total cpu time spent up to now is 409.2 secs Computing kpt #: 125 total cpu time spent up to now is 412.1 secs Computing kpt #: 126 total cpu time spent up to now is 415.3 secs Computing kpt #: 127 total cpu time spent up to now is 418.6 secs Computing kpt #: 128 total cpu time spent up to now is 422.6 secs Computing kpt #: 129 total cpu time spent up to now is 425.2 secs Computing kpt #: 130 total cpu time spent up to now is 429.7 secs Computing kpt #: 131 total cpu time spent up to now is 433.0 secs Computing kpt #: 132 total cpu time spent up to now is 436.8 secs Computing kpt #: 133 total cpu time spent up to now is 440.6 secs Computing kpt #: 134 total cpu time spent up to now is 443.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.2 secs Computing kpt #: 136 total cpu time spent up to now is 455.3 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 460.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 464.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.1 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.3 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 489.1 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 494.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 498.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.2 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.3 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.2 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.4 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.2 secs Computing kpt #: 152 total cpu time spent up to now is 530.5 secs Computing kpt #: 153 total cpu time spent up to now is 533.0 secs Computing kpt #: 154 total cpu time spent up to now is 535.8 secs Computing kpt #: 155 total cpu time spent up to now is 538.0 secs Computing kpt #: 156 total cpu time spent up to now is 540.7 secs Computing kpt #: 157 total cpu time spent up to now is 543.0 secs Computing kpt #: 158 total cpu time spent up to now is 545.1 secs Computing kpt #: 159 total cpu time spent up to now is 547.3 secs Computing kpt #: 160 total cpu time spent up to now is 549.5 secs Computing kpt #: 161 total cpu time spent up to now is 551.5 secs Computing kpt #: 162 total cpu time spent up to now is 553.5 secs Computing kpt #: 163 total cpu time spent up to now is 555.9 secs Computing kpt #: 164 total cpu time spent up to now is 557.9 secs Computing kpt #: 165 total cpu time spent up to now is 560.2 secs Computing kpt #: 166 total cpu time spent up to now is 562.1 secs Computing kpt #: 167 total cpu time spent up to now is 564.0 secs Computing kpt #: 168 total cpu time spent up to now is 566.9 secs Computing kpt #: 169 total cpu time spent up to now is 569.1 secs Computing kpt #: 170 total cpu time spent up to now is 571.1 secs Computing kpt #: 171 total cpu time spent up to now is 573.6 secs Computing kpt #: 172 total cpu time spent up to now is 575.7 secs Computing kpt #: 173 total cpu time spent up to now is 577.7 secs Computing kpt #: 174 total cpu time spent up to now is 579.7 secs Computing kpt #: 175 total cpu time spent up to now is 581.9 secs Computing kpt #: 176 total cpu time spent up to now is 584.5 secs Computing kpt #: 177 total cpu time spent up to now is 586.7 secs Computing kpt #: 178 total cpu time spent up to now is 588.9 secs Computing kpt #: 179 total cpu time spent up to now is 591.2 secs Computing kpt #: 180 total cpu time spent up to now is 594.0 secs Computing kpt #: 181 total cpu time spent up to now is 596.6 secs Computing kpt #: 182 total cpu time spent up to now is 599.2 secs Computing kpt #: 183 total cpu time spent up to now is 602.0 secs Computing kpt #: 184 total cpu time spent up to now is 604.6 secs Computing kpt #: 185 total cpu time spent up to now is 607.5 secs Computing kpt #: 186 total cpu time spent up to now is 610.2 secs Computing kpt #: 187 total cpu time spent up to now is 612.9 secs Computing kpt #: 188 total cpu time spent up to now is 615.6 secs Computing kpt #: 189 total cpu time spent up to now is 618.5 secs Computing kpt #: 190 total cpu time spent up to now is 621.2 secs Computing kpt #: 191 total cpu time spent up to now is 624.0 secs Computing kpt #: 192 total cpu time spent up to now is 627.0 secs Computing kpt #: 193 total cpu time spent up to now is 629.5 secs Computing kpt #: 194 total cpu time spent up to now is 632.0 secs Computing kpt #: 195 total cpu time spent up to now is 634.6 secs Computing kpt #: 196 total cpu time spent up to now is 636.9 secs Computing kpt #: 197 total cpu time spent up to now is 639.2 secs Computing kpt #: 198 total cpu time spent up to now is 641.9 secs Computing kpt #: 199 total cpu time spent up to now is 644.3 secs Computing kpt #: 200 total cpu time spent up to now is 646.7 secs Computing kpt #: 201 total cpu time spent up to now is 648.9 secs Computing kpt #: 202 total cpu time spent up to now is 651.5 secs Computing kpt #: 203 total cpu time spent up to now is 653.7 secs Computing kpt #: 204 total cpu time spent up to now is 655.8 secs Computing kpt #: 205 total cpu time spent up to now is 658.4 secs Computing kpt #: 206 total cpu time spent up to now is 661.0 secs Computing kpt #: 207 total cpu time spent up to now is 663.1 secs Computing kpt #: 208 total cpu time spent up to now is 665.2 secs Computing kpt #: 209 total cpu time spent up to now is 667.3 secs Computing kpt #: 210 total cpu time spent up to now is 669.6 secs Computing kpt #: 211 total cpu time spent up to now is 671.8 secs Computing kpt #: 212 total cpu time spent up to now is 674.3 secs Computing kpt #: 213 total cpu time spent up to now is 676.5 secs Computing kpt #: 214 total cpu time spent up to now is 678.8 secs Computing kpt #: 215 total cpu time spent up to now is 681.3 secs Computing kpt #: 216 total cpu time spent up to now is 684.0 secs Computing kpt #: 217 total cpu time spent up to now is 686.8 secs Computing kpt #: 218 total cpu time spent up to now is 690.1 secs Computing kpt #: 219 total cpu time spent up to now is 693.5 secs Computing kpt #: 220 total cpu time spent up to now is 696.2 secs Computing kpt #: 221 total cpu time spent up to now is 699.6 secs Computing kpt #: 222 total cpu time spent up to now is 703.4 secs Computing kpt #: 223 total cpu time spent up to now is 706.9 secs Computing kpt #: 224 total cpu time spent up to now is 709.7 secs Computing kpt #: 225 total cpu time spent up to now is 713.3 secs Computing kpt #: 226 total cpu time spent up to now is 716.7 secs Computing kpt #: 227 total cpu time spent up to now is 720.3 secs Computing kpt #: 228 total cpu time spent up to now is 722.8 secs Computing kpt #: 229 total cpu time spent up to now is 725.6 secs Computing kpt #: 230 total cpu time spent up to now is 728.3 secs Computing kpt #: 231 total cpu time spent up to now is 731.2 secs Computing kpt #: 232 total cpu time spent up to now is 733.8 secs Computing kpt #: 233 total cpu time spent up to now is 738.1 secs Computing kpt #: 234 total cpu time spent up to now is 740.8 secs Computing kpt #: 235 total cpu time spent up to now is 743.1 secs Computing kpt #: 236 total cpu time spent up to now is 745.8 secs Computing kpt #: 237 total cpu time spent up to now is 749.3 secs Computing kpt #: 238 total cpu time spent up to now is 752.4 secs Computing kpt #: 239 total cpu time spent up to now is 754.7 secs Computing kpt #: 240 total cpu time spent up to now is 757.0 secs Computing kpt #: 241 total cpu time spent up to now is 759.2 secs Computing kpt #: 242 total cpu time spent up to now is 761.3 secs Computing kpt #: 243 total cpu time spent up to now is 763.9 secs Computing kpt #: 244 total cpu time spent up to now is 766.8 secs Computing kpt #: 245 total cpu time spent up to now is 769.8 secs Computing kpt #: 246 total cpu time spent up to now is 772.2 secs Computing kpt #: 247 total cpu time spent up to now is 774.4 secs Computing kpt #: 248 total cpu time spent up to now is 776.5 secs Computing kpt #: 249 total cpu time spent up to now is 779.1 secs Computing kpt #: 250 total cpu time spent up to now is 781.4 secs Computing kpt #: 251 total cpu time spent up to now is 783.8 secs Computing kpt #: 252 total cpu time spent up to now is 786.1 secs Computing kpt #: 253 total cpu time spent up to now is 788.5 secs Computing kpt #: 254 total cpu time spent up to now is 790.9 secs Computing kpt #: 255 total cpu time spent up to now is 793.4 secs Computing kpt #: 256 total cpu time spent up to now is 795.8 secs Computing kpt #: 257 total cpu time spent up to now is 798.1 secs Computing kpt #: 258 total cpu time spent up to now is 800.4 secs Computing kpt #: 259 total cpu time spent up to now is 802.9 secs Computing kpt #: 260 total cpu time spent up to now is 805.4 secs Computing kpt #: 261 total cpu time spent up to now is 807.8 secs Computing kpt #: 262 total cpu time spent up to now is 810.2 secs Computing kpt #: 263 total cpu time spent up to now is 813.1 secs Computing kpt #: 264 total cpu time spent up to now is 815.7 secs Computing kpt #: 265 total cpu time spent up to now is 818.1 secs Computing kpt #: 266 total cpu time spent up to now is 821.0 secs Computing kpt #: 267 total cpu time spent up to now is 823.7 secs Computing kpt #: 268 total cpu time spent up to now is 826.4 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.0 secs Computing kpt #: 270 total cpu time spent up to now is 834.4 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 839.0 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 843.7 secs Computing kpt #: 273 total cpu time spent up to now is 845.7 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 850.3 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.2 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 860.0 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 864.8 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 869.8 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 874.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.8 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.9 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 889.6 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.6 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.5 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 904.3 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 909.2 secs Computing kpt #: 287 total cpu time spent up to now is 911.2 secs Computing kpt #: 288 total cpu time spent up to now is 913.4 secs Computing kpt #: 289 total cpu time spent up to now is 916.4 secs Computing kpt #: 290 total cpu time spent up to now is 919.3 secs Computing kpt #: 291 total cpu time spent up to now is 921.4 secs Computing kpt #: 292 total cpu time spent up to now is 923.8 secs Computing kpt #: 293 total cpu time spent up to now is 926.0 secs Computing kpt #: 294 total cpu time spent up to now is 928.5 secs Computing kpt #: 295 total cpu time spent up to now is 930.8 secs Computing kpt #: 296 total cpu time spent up to now is 933.0 secs Computing kpt #: 297 total cpu time spent up to now is 935.1 secs Computing kpt #: 298 total cpu time spent up to now is 937.3 secs Computing kpt #: 299 total cpu time spent up to now is 939.7 secs Computing kpt #: 300 total cpu time spent up to now is 941.8 secs Computing kpt #: 301 total cpu time spent up to now is 944.0 secs Computing kpt #: 302 total cpu time spent up to now is 946.4 secs Computing kpt #: 303 total cpu time spent up to now is 949.2 secs Computing kpt #: 304 total cpu time spent up to now is 951.5 secs Computing kpt #: 305 total cpu time spent up to now is 953.7 secs Computing kpt #: 306 total cpu time spent up to now is 956.3 secs Computing kpt #: 307 total cpu time spent up to now is 958.5 secs Computing kpt #: 308 total cpu time spent up to now is 960.8 secs Computing kpt #: 309 total cpu time spent up to now is 963.2 secs Computing kpt #: 310 total cpu time spent up to now is 965.7 secs Computing kpt #: 311 total cpu time spent up to now is 968.2 secs Computing kpt #: 312 total cpu time spent up to now is 970.9 secs Computing kpt #: 313 total cpu time spent up to now is 973.8 secs Computing kpt #: 314 total cpu time spent up to now is 977.0 secs Computing kpt #: 315 total cpu time spent up to now is 981.3 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 986.4 secs Computing kpt #: 317 total cpu time spent up to now is 990.6 secs Computing kpt #: 318 total cpu time spent up to now is 993.4 secs Computing kpt #: 319 total cpu time spent up to now is 996.2 secs Computing kpt #: 320 total cpu time spent up to now is 998.6 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1003.4 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1008.1 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1012.9 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1017.7 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.3 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1027.0 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1031.6 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1036.3 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1040.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1045.9 secs Computing kpt #: 331 total cpu time spent up to now is 1051.9 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1056.8 secs Computing kpt #: 333 total cpu time spent up to now is 1060.1 secs Computing kpt #: 334 total cpu time spent up to now is 1064.6 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1069.5 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1074.1 secs Computing kpt #: 337 total cpu time spent up to now is 1078.8 secs Computing kpt #: 338 total cpu time spent up to now is 1082.6 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.2 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1092.3 secs Computing kpt #: 341 total cpu time spent up to now is 1095.8 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1100.4 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1105.2 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1110.0 secs Computing kpt #: 345 total cpu time spent up to now is 1113.8 secs Computing kpt #: 346 total cpu time spent up to now is 1118.1 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1122.8 secs Computing kpt #: 348 total cpu time spent up to now is 1127.0 secs Computing kpt #: 349 total cpu time spent up to now is 1130.2 secs Computing kpt #: 350 total cpu time spent up to now is 1134.9 secs Computing kpt #: 351 total cpu time spent up to now is 1138.9 secs Computing kpt #: 352 total cpu time spent up to now is 1142.9 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1148.0 secs Computing kpt #: 354 total cpu time spent up to now is 1150.4 secs ethr = 2.08E-11, avg # of iterations = 57.8 total cpu time spent up to now is 1150.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4961 PWs) bands (ev): -13.5088 -13.5088 -12.7514 -12.7514 -11.3203 -11.3203 -9.9553 -9.9553 -9.8538 -9.8538 -9.5916 -9.5916 -4.4485 -4.4485 -4.0480 -4.0480 -3.9482 -3.9482 -1.1625 -1.1625 -0.8265 -0.8265 -0.7866 -0.7866 0.1810 0.1810 0.9146 0.9146 1.4120 1.4120 1.5257 1.5257 2.4147 2.4147 2.7436 2.7436 3.1722 3.1722 3.3857 3.3857 3.7091 3.7091 3.8208 3.8208 3.9586 3.9586 3.9646 3.9646 7.2422 7.2422 9.2638 9.2638 10.0987 10.0987 10.3586 10.3586 12.1375 12.1375 k = 0.0091 0.0147-0.0000 ( 4975 PWs) bands (ev): -13.5083 -13.5083 -12.7514 -12.7514 -11.3200 -11.3198 -9.9875 -9.9736 -9.8382 -9.8224 -9.5918 -9.5908 -4.4479 -4.4475 -4.0792 -4.0725 -3.9216 -3.9128 -1.1750 -1.1572 -0.8280 -0.8276 -0.7905 -0.7796 0.1833 0.1874 0.9150 0.9155 1.4083 1.4098 1.5233 1.5233 2.4151 2.4153 2.7418 2.7431 3.1739 3.1741 3.3833 3.3843 3.7010 3.7054 3.8201 3.8204 3.9586 3.9586 3.9666 3.9691 7.2462 7.2463 9.2658 9.2668 10.0991 10.0999 10.3594 10.3599 12.1259 12.1305 k = 0.0182 0.0294-0.0000 ( 4969 PWs) bands (ev): -13.5066 -13.5066 -12.7515 -12.7515 -11.3188 -11.3185 -10.0386 -10.0222 -9.7959 -9.7758 -9.5912 -9.5892 -4.4457 -4.4448 -4.1284 -4.1212 -3.8645 -3.8532 -1.1938 -1.1597 -0.8317 -0.8311 -0.7914 -0.7695 0.1942 0.2024 0.9168 0.9178 1.3985 1.4016 1.5162 1.5163 2.4167 2.4169 2.7378 2.7405 3.1790 3.1794 3.3771 3.3792 3.6826 3.6907 3.8186 3.8191 3.9583 3.9584 3.9746 3.9790 7.2584 7.2585 9.2728 9.2748 10.1011 10.1027 10.3622 10.3632 12.1002 12.1071 k = 0.0273 0.0442-0.0000 ( 4977 PWs) bands (ev): -13.5039 -13.5038 -12.7516 -12.7515 -11.3168 -11.3163 -10.0950 -10.0786 -9.7494 -9.7274 -9.5899 -9.5868 -4.4419 -4.4406 -4.1785 -4.1720 -3.7991 -3.7864 -1.2179 -1.1700 -0.8392 -0.8360 -0.7886 -0.7567 0.2133 0.2254 0.9200 0.9214 1.3829 1.3875 1.5044 1.5045 2.4193 2.4196 2.7319 2.7361 3.1870 3.1876 3.3668 3.3699 3.6567 3.6677 3.8164 3.8169 3.9578 3.9580 3.9864 3.9920 7.2785 7.2786 9.2846 9.2876 10.1046 10.1070 10.3671 10.3686 12.0661 12.0734 k = 0.0363 0.0589-0.0000 ( 4971 PWs) bands (ev): -13.5000 -13.4999 -12.7517 -12.7516 -11.3140 -11.3134 -10.1541 -10.1382 -9.7033 -9.6800 -9.5878 -9.5838 -4.4365 -4.4348 -4.2265 -4.2208 -3.7294 -3.7155 -1.2464 -1.1877 -0.8497 -0.8434 -0.7813 -0.7416 0.2400 0.2558 0.9244 0.9263 1.3614 1.3675 1.4882 1.4882 2.4227 2.4230 2.7245 2.7300 3.1973 3.1977 3.3522 3.3561 3.6265 3.6398 3.8134 3.8139 3.9571 3.9573 4.0001 4.0063 7.3061 7.3064 9.3010 9.3050 10.1097 10.1129 10.3738 10.3759 12.0269 12.0334 k = 0.0454 0.0736-0.0000 ( 4967 PWs) bands (ev): -13.4950 -13.4949 -12.7519 -12.7518 -11.3104 -11.3096 -10.2148 -10.1995 -9.6591 -9.6344 -9.5849 -9.5800 -4.4296 -4.4274 -4.2715 -4.2668 -3.6565 -3.6415 -1.2784 -1.2118 -0.8632 -0.8538 -0.7692 -0.7242 0.2734 0.2927 0.9301 0.9326 1.3342 1.3417 1.4674 1.4676 2.4269 2.4272 2.7159 2.7228 3.2084 3.2085 3.3336 3.3376 3.5948 3.6098 3.8097 3.8101 3.9561 3.9565 4.0140 4.0205 7.3410 7.3414 9.3219 9.3267 10.1163 10.1203 10.3824 10.3850 11.9844 11.9892 k = 0.0545 0.0883-0.0000 ( 4975 PWs) bands (ev): -13.4890 -13.4888 -12.7521 -12.7520 -11.3059 -11.3049 -10.2767 -10.2622 -9.6176 -9.5914 -9.5808 -9.5755 -4.4210 -4.4184 -4.3132 -4.3094 -3.5809 -3.5649 -1.3132 -1.2409 -0.8795 -0.8672 -0.7525 -0.7045 0.3126 0.3352 0.9371 0.9401 1.3014 1.3102 1.4423 1.4429 2.4317 2.4318 2.7066 2.7148 3.2167 3.2184 3.3125 3.3153 3.5638 3.5799 3.8053 3.8056 3.9549 3.9554 4.0273 4.0340 7.3826 7.3831 9.3467 9.3524 10.1243 10.1291 10.3927 10.3958 11.9395 11.9416 k = 0.0636 0.1030-0.0000 ( 4979 PWs) bands (ev): -13.4819 -13.4817 -12.7524 -12.7522 -11.3006 -11.2994 -10.3395 -10.3258 -9.5847 -9.5707 -9.5700 -9.5504 -4.4109 -4.4080 -4.3513 -4.3485 -3.5029 -3.4859 -1.3499 -1.2738 -0.8986 -0.8834 -0.7318 -0.6826 0.3569 0.3825 0.9453 0.9488 1.2630 1.2733 1.4132 1.4143 2.4365 2.4367 2.6969 2.7064 3.2153 3.2207 3.2945 3.2955 3.5353 3.5518 3.8002 3.8005 3.9535 3.9541 4.0398 4.0464 7.4303 7.4311 9.3751 9.3816 10.1338 10.1394 10.4044 10.4080 11.8907 11.8927 k = 0.0727 0.1178-0.0000 ( 4983 PWs) bands (ev): -13.4738 -13.4735 -12.7527 -12.7525 -11.2944 -11.2930 -10.4031 -10.3900 -9.5751 -9.5649 -9.5380 -9.5127 -4.3994 -4.3970 -4.3850 -4.3839 -3.4227 -3.4048 -1.3879 -1.3094 -0.9202 -0.9023 -0.7074 -0.6581 0.4054 0.4337 0.9547 0.9588 1.2193 1.2310 1.3801 1.3821 2.4412 2.4416 2.6871 2.6979 3.1944 3.2032 3.2868 3.2919 3.5102 3.5264 3.7947 3.7948 3.9520 3.9526 4.0513 4.0577 7.4837 7.4846 9.4067 9.4140 10.1446 10.1511 10.4173 10.4215 11.8371 11.8444 k = 0.0818 0.1325-0.0000 ( 4987 PWs) bands (ev): -13.4647 -13.4644 -12.7530 -12.7528 -11.2873 -11.2858 -10.4671 -10.4547 -9.5692 -9.5586 -9.5046 -9.4779 -4.4178 -4.4161 -4.3860 -4.3819 -3.3406 -3.3218 -1.4266 -1.3466 -0.9444 -0.9238 -0.6797 -0.6312 0.4573 0.4881 0.9651 0.9698 1.1704 1.1835 1.3434 1.3464 2.4454 2.4462 2.6776 2.6896 3.1569 3.1661 3.2922 3.2988 3.4887 3.5041 3.7887 3.7887 3.9502 3.9509 4.0619 4.0680 7.5420 7.5432 9.4411 9.4490 10.1568 10.1642 10.4311 10.4358 11.7825 11.7947 k = 0.0908 0.1472-0.0000 ( 4991 PWs) bands (ev): -13.4546 -13.4542 -12.7534 -12.7531 -11.2794 -11.2776 -10.5314 -10.5198 -9.5631 -9.5516 -9.4738 -9.4462 -4.4453 -4.4444 -4.3715 -4.3671 -3.2567 -3.2371 -1.4654 -1.3846 -0.9709 -0.9478 -0.6488 -0.6016 0.5120 0.5451 0.9764 0.9819 1.1166 1.1310 1.3032 1.3076 2.4488 2.4499 2.6687 2.6816 3.1106 3.1192 3.3015 3.3088 3.4709 3.4850 3.7822 3.7823 3.9483 3.9491 4.0717 4.0775 7.6047 7.6062 9.4777 9.4862 10.1703 10.1786 10.4454 10.4508 11.7288 11.7439 k = 0.0999 0.1619-0.0000 ( 4976 PWs) bands (ev): -13.4435 -13.4432 -12.7538 -12.7535 -11.2705 -11.2686 -10.5959 -10.5849 -9.5565 -9.5441 -9.4459 -9.4176 -4.4694 -4.4692 -4.3555 -4.3508 -3.1713 -3.1508 -1.5038 -1.4227 -0.9997 -0.9740 -0.6150 -0.5693 0.5689 0.6040 0.9886 0.9949 1.0583 1.0737 1.2600 1.2659 2.4509 2.4522 2.6606 2.6744 3.0595 3.0673 3.3100 3.3183 3.4569 3.4694 3.7754 3.7756 3.9463 3.9471 4.0809 4.0864 7.6712 7.6730 9.5161 9.5251 10.1850 10.1942 10.4600 10.4659 11.6773 11.6922 k = 0.1090 0.1767-0.0000 ( 4976 PWs) bands (ev): -13.4316 -13.4312 -12.7542 -12.7540 -11.2607 -11.2586 -10.6604 -10.6501 -9.5494 -9.5360 -9.4212 -9.3922 -4.4906 -4.4902 -4.3381 -4.3330 -3.0846 -3.0632 -1.5412 -1.4602 -1.0307 -1.0024 -0.5784 -0.5344 0.6274 0.6642 0.9912 1.0057 1.0079 1.0127 1.2140 1.2216 2.4513 2.4527 2.6538 2.6681 3.0057 3.0128 3.3155 3.3250 3.4471 3.4578 3.7684 3.7687 3.9442 3.9451 4.0895 4.0947 7.7408 7.7431 9.5557 9.5652 10.2009 10.2111 10.4741 10.4806 11.6278 11.6399 k = 0.1181 0.1914-0.0000 ( 4992 PWs) bands (ev): -13.4188 -13.4184 -12.7548 -12.7545 -11.2500 -11.2477 -10.7248 -10.7151 -9.5418 -9.5275 -9.3996 -9.3701 -4.5088 -4.5079 -4.3194 -4.3140 -2.9967 -2.9745 -1.5773 -1.4967 -1.0637 -1.0329 -0.5390 -0.4968 0.6870 0.7250 0.9271 0.9451 1.0165 1.0236 1.1655 1.1751 2.4495 2.4508 2.6484 2.6629 2.9505 2.9571 3.3169 3.3277 3.4418 3.4507 3.7613 3.7618 3.9420 3.9430 4.0977 4.1026 7.8132 7.8158 9.5963 9.6060 10.2181 10.2292 10.4873 10.4944 11.5787 11.5870 k = 0.1272 0.2061-0.0000 ( 4996 PWs) bands (ev): -13.4052 -13.4047 -12.7553 -12.7550 -11.2383 -11.2357 -10.7890 -10.7798 -9.5338 -9.5185 -9.3811 -9.3511 -4.5238 -4.5225 -4.2993 -4.2937 -2.9078 -2.8849 -1.6117 -1.5316 -1.0985 -1.0653 -0.4969 -0.4566 0.7473 0.7829 0.8595 0.8743 1.0302 1.0387 1.1153 1.1270 2.4454 2.4463 2.6446 2.6590 2.8949 2.9010 3.3138 3.3255 3.4409 3.4483 3.7543 3.7549 3.9399 3.9409 4.1054 4.1100 7.8876 7.8908 9.6373 9.6472 10.2366 10.2487 10.4989 10.5066 11.5289 11.5341 k = 0.1363 0.2208-0.0000 ( 4992 PWs) bands (ev): -13.3908 -13.3903 -12.7559 -12.7556 -11.2256 -11.2228 -10.8527 -10.8441 -9.5254 -9.5091 -9.3656 -9.3353 -4.5360 -4.5344 -4.2781 -4.2722 -2.8181 -2.7945 -1.6439 -1.5644 -1.1351 -1.0994 -0.4523 -0.4138 0.7705 0.7987 0.8080 0.8584 1.0412 1.0508 1.0674 1.0805 2.4386 2.4388 2.6424 2.6564 2.8396 2.8454 3.3069 3.3192 3.4434 3.4498 3.7474 3.7481 3.9379 3.9389 4.1125 4.1169 7.9637 7.9674 9.6785 9.6885 10.2564 10.2694 10.5080 10.5164 11.4784 11.4816 k = 0.1453 0.2355-0.0000 ( 4988 PWs) bands (ev): -13.3757 -13.3752 -12.7566 -12.7563 -11.2119 -11.2089 -10.9160 -10.9079 -9.5167 -9.4994 -9.3532 -9.3227 -4.5456 -4.5437 -4.2557 -4.2495 -2.7278 -2.7035 -1.6736 -1.5949 -1.1732 -1.1351 -0.4052 -0.3685 0.6940 0.7200 0.8661 0.9175 1.0104 1.0170 1.0683 1.0729 2.4285 2.4291 2.6417 2.6549 2.7852 2.7908 3.2976 3.3100 3.4480 3.4540 3.7408 3.7415 3.9360 3.9370 4.1191 4.1232 8.0410 8.0453 9.7196 9.7295 10.2776 10.2915 10.5138 10.5229 11.4284 11.4302 k = 0.1544 0.2503-0.0000 ( 4994 PWs) bands (ev): -13.3600 -13.3595 -12.7573 -12.7570 -11.1971 -11.1939 -10.9787 -10.9711 -9.5076 -9.4893 -9.3438 -9.3131 -4.5528 -4.5506 -4.2322 -4.2258 -2.6371 -2.6121 -1.7004 -1.6227 -1.2127 -1.1722 -0.3558 -0.3208 0.6109 0.6371 0.9093 0.9640 0.9734 0.9815 1.0817 1.0892 2.4152 2.4169 2.6420 2.6542 2.7324 2.7377 3.2869 3.2990 3.4536 3.4595 3.7345 3.7353 3.9343 3.9353 4.1248 4.1287 8.1190 8.1240 9.7604 9.7701 10.3002 10.3150 10.5153 10.5251 11.3801 11.3807 k = 0.1635 0.2650-0.0000 ( 4996 PWs) bands (ev): -13.3436 -13.3431 -12.7580 -12.7577 -11.1814 -11.1779 -11.0406 -11.0335 -9.4983 -9.4791 -9.3372 -9.3063 -4.5579 -4.5556 -4.2077 -4.2011 -2.5463 -2.5206 -1.7241 -1.6473 -1.2533 -1.2105 -0.3042 -0.2708 0.5238 0.5504 0.8825 0.9119 1.0050 1.0416 1.0976 1.1061 2.3992 2.4020 2.6431 2.6533 2.6822 2.6865 3.2758 3.2875 3.4595 3.4654 3.7287 3.7295 3.9330 3.9340 4.1297 4.1334 8.1974 8.2030 9.8007 9.8101 10.3244 10.3400 10.5114 10.5218 11.3340 11.3345 k = 0.1726 0.2797-0.0000 ( 4992 PWs) bands (ev): -13.3267 -13.3262 -12.7588 -12.7585 -11.1646 -11.1608 -11.1017 -11.0952 -9.4888 -9.4687 -9.3332 -9.3024 -4.5613 -4.5589 -4.1823 -4.1756 -2.4554 -2.4291 -1.7442 -1.6687 -1.2949 -1.2497 -0.2505 -0.2187 0.4334 0.4604 0.8295 0.8571 1.0616 1.1003 1.1164 1.1231 2.3805 2.3844 2.6296 2.6378 2.6444 2.6575 3.2647 3.2759 3.4651 3.4713 3.7235 3.7243 3.9321 3.9330 4.1333 4.1370 8.2758 8.2821 9.8405 9.8496 10.3503 10.3665 10.5012 10.5122 11.2912 11.2929 k = 0.1817 0.2944-0.0000 ( 4984 PWs) bands (ev): -13.3094 -13.3088 -12.7596 -12.7594 -11.1630 -11.1562 -11.1456 -11.1422 -9.4792 -9.4581 -9.3319 -9.3011 -4.5632 -4.5608 -4.1561 -4.1492 -2.3648 -2.3378 -1.7606 -1.6863 -1.3370 -1.2896 -0.1949 -0.1647 0.3399 0.3671 0.7733 0.8018 1.1200 1.1272 1.1404 1.1665 2.3590 2.3640 2.5846 2.5921 2.6456 2.6567 3.2543 3.2648 3.4702 3.4767 3.7189 3.7198 3.9318 3.9326 4.1357 4.1393 8.3538 8.3609 9.8799 9.8884 10.3779 10.3943 10.4840 10.4953 11.2532 11.2561 k = 0.1908 0.3091-0.0000 ( 4984 PWs) bands (ev): -13.2916 -13.2909 -12.7605 -12.7602 -11.2218 -11.2158 -11.1271 -11.1230 -9.4696 -9.4476 -9.3329 -9.3023 -4.5640 -4.5616 -4.1291 -4.1222 -2.2748 -2.2470 -1.7729 -1.7001 -1.3796 -1.3300 -0.1376 -0.1091 0.2437 0.2710 0.7162 0.7462 1.1435 1.1555 1.1804 1.2262 2.3345 2.3406 2.5424 2.5499 2.6464 2.6566 3.2446 3.2545 3.4747 3.4815 3.7152 3.7160 3.9320 3.9328 4.1365 4.1400 8.4312 8.4391 9.9188 9.9269 10.4072 10.4216 10.4610 10.4705 11.2205 11.2249 k = 0.1999 0.3239-0.0000 ( 4990 PWs) bands (ev): -13.2734 -13.2728 -12.7614 -12.7612 -11.2800 -11.2745 -11.1068 -11.1025 -9.4600 -9.4372 -9.3361 -9.3058 -4.5640 -4.5617 -4.1016 -4.0946 -2.1857 -2.1569 -1.7806 -1.7096 -1.4222 -1.3705 -0.0791 -0.0524 0.1456 0.1724 0.6590 0.6907 1.1590 1.1720 1.2383 1.2854 2.3067 2.3137 2.5042 2.5120 2.6465 2.6559 3.2361 3.2451 3.4783 3.4856 3.7124 3.7130 3.9331 3.9338 4.1356 4.1392 8.5077 8.5164 9.9575 9.9650 10.4186 10.4327 10.4432 10.4622 11.1935 11.1994 k = 0.2089 0.3386-0.0000 ( 4978 PWs) bands (ev): -13.2550 -13.2543 -12.7624 -12.7621 -11.3372 -11.3321 -11.0854 -11.0807 -9.4506 -9.4270 -9.3414 -9.3114 -4.5635 -4.5612 -4.0735 -4.0665 -2.0981 -2.0678 -1.7833 -1.7146 -1.4645 -1.4108 -0.0201 -0.0007 0.0514 0.0722 0.6020 0.6353 1.1739 1.1877 1.2957 1.3436 2.2754 2.2831 2.4708 2.4788 2.6456 2.6545 3.2288 3.2370 3.4812 3.4889 3.7105 3.7110 3.9350 3.9356 4.1329 4.1364 8.5830 8.5926 9.9961 10.0030 10.3798 10.3957 10.4725 10.4932 11.1721 11.1795 k = 0.2180 0.3533-0.0000 ( 4976 PWs) bands (ev): -13.2364 -13.2357 -12.7634 -12.7631 -11.3933 -11.3885 -11.0627 -11.0577 -9.4415 -9.4170 -9.3485 -9.3190 -4.5627 -4.5605 -4.0451 -4.0381 -2.0131 -1.9805 -1.7799 -1.7145 -1.5062 -1.4507 -0.0638 -0.0348 0.0445 0.0711 0.5453 0.5802 1.1882 1.2027 1.3521 1.4008 2.2407 2.2488 2.4425 2.4505 2.6436 2.6520 3.2227 3.2302 3.4832 3.4914 3.7098 3.7100 3.9380 3.9384 4.1282 4.1317 8.6570 8.6675 10.0348 10.0410 10.3321 10.3478 10.5073 10.5279 11.1557 11.1644 k = 0.2271 0.3680-0.0000 ( 4972 PWs) bands (ev): -13.2177 -13.2169 -12.7644 -12.7642 -11.4481 -11.4436 -11.0387 -11.0334 -9.4326 -9.4074 -9.3573 -9.3282 -4.5620 -4.5598 -4.0165 -4.0095 -1.9330 -1.8959 -1.7682 -1.7083 -1.5470 -1.4896 -0.1671 -0.1385 0.1044 0.1298 0.4892 0.5255 1.2018 1.2170 1.4074 1.4567 2.2031 2.2113 2.4190 2.4268 2.6404 2.6484 3.2181 3.2247 3.4843 3.4930 3.7101 3.7101 3.9420 3.9424 4.1213 4.1250 8.7295 8.7409 10.0736 10.0791 10.2781 10.2937 10.5440 10.5646 11.1435 11.1534 k = 0.2362 0.3827-0.0000 ( 4982 PWs) bands (ev): -13.1989 -13.1981 -12.7654 -12.7652 -11.5015 -11.4974 -11.0135 -11.0079 -9.4243 -9.3984 -9.3676 -9.3391 -4.5615 -4.5594 -3.9877 -3.9809 -1.8641 -1.8173 -1.7420 -1.6930 -1.5862 -1.5273 -0.2729 -0.2449 0.1654 0.1897 0.4339 0.4714 1.2149 1.2308 1.4614 1.5113 2.1632 2.1713 2.3997 2.4072 2.6359 2.6436 3.2149 3.2206 3.4846 3.4937 3.7113 3.7116 3.9473 3.9475 4.1123 4.1160 8.8004 8.8126 10.1127 10.1173 10.2194 10.2345 10.5824 10.6029 11.1347 11.1454 k = 0.2453 0.3975-0.0000 ( 4986 PWs) bands (ev): -13.1801 -13.1793 -12.7665 -12.7663 -11.5537 -11.5498 -10.9871 -10.9811 -9.4165 -9.3899 -9.3791 -9.3512 -4.5614 -4.5594 -3.9590 -3.9523 -1.8151 -1.7535 -1.6930 -1.6597 -1.6236 -1.5633 -0.3800 -0.3526 0.2255 0.2495 0.3797 0.4179 1.2275 1.2440 1.5141 1.5645 2.1216 2.1296 2.3842 2.3914 2.6301 2.6375 3.2131 3.2179 3.4840 3.4936 3.7137 3.7143 3.9539 3.9540 4.1010 4.1048 8.8695 8.8826 10.1469 10.1514 10.1656 10.1720 10.6225 10.6428 11.1280 11.1387 k = 0.2544 0.4122-0.0000 ( 4988 PWs) bands (ev): -13.1614 -13.1606 -12.7675 -12.7674 -11.6043 -11.6007 -10.9593 -10.9530 -9.4094 -9.3918 -9.3821 -9.3646 -4.5619 -4.5600 -3.9305 -3.9239 -1.7824 -1.7129 -1.6585 -1.6248 -1.6021 -1.5956 -0.4881 -0.4612 0.2795 0.3080 0.3312 0.3653 1.2398 1.2569 1.5654 1.6162 2.0790 2.0868 2.3719 2.3787 2.6230 2.6301 3.2126 3.2166 3.4826 3.4926 3.7173 3.7182 3.9619 3.9619 4.0875 4.0915 8.9368 8.9507 10.0886 10.1046 10.1922 10.1971 10.6641 10.6842 11.1215 11.1311 k = 0.2634 0.4269-0.0000 ( 4980 PWs) bands (ev): -13.1428 -13.1420 -12.7686 -12.7685 -11.6536 -11.6502 -10.9303 -10.9237 -9.4055 -9.4030 -9.3789 -9.3752 -4.5631 -4.5612 -3.9022 -3.8959 -1.7563 -1.6890 -1.6837 -1.6292 -1.5493 -1.5268 -0.5968 -0.5705 0.2643 0.3115 0.3507 0.3666 1.2523 1.2698 1.6153 1.6664 2.0359 2.0434 2.3624 2.3689 2.6147 2.6215 3.2134 3.2166 3.4803 3.4909 3.7222 3.7235 3.9713 3.9713 4.0718 4.0759 9.0022 9.0170 10.0209 10.0362 10.2319 10.2360 10.7073 10.7270 11.1113 11.1180 k = 0.2725 0.4416-0.0000 ( 4988 PWs) bands (ev): -13.1245 -13.1237 -12.7696 -12.7696 -11.7013 -11.6982 -10.9000 -10.8930 -9.4199 -9.3976 -9.3941 -9.3693 -4.5651 -4.5632 -3.8744 -3.8683 -1.7418 -1.7043 -1.6590 -1.6546 -1.4720 -1.4499 -0.7058 -0.6801 0.2134 0.2599 0.4038 0.4207 1.2653 1.2832 1.6635 1.7149 1.9926 1.9999 2.3554 2.3618 2.6053 2.6118 3.2153 3.2178 3.4772 3.4882 3.7283 3.7300 3.9822 3.9823 4.0539 4.0581 9.0656 9.0812 9.9515 9.9662 10.2716 10.2752 10.7519 10.7710 11.0872 11.0901 k = 0.2816 0.4563-0.0000 ( 4988 PWs) bands (ev): -13.1065 -13.1057 -12.7707 -12.7706 -11.7474 -11.7446 -10.8684 -10.8610 -9.4349 -9.4099 -9.3933 -9.3645 -4.5679 -4.5660 -3.8471 -3.8412 -1.7572 -1.6840 -1.6839 -1.6251 -1.3949 -1.3730 -0.8147 -0.7898 0.1612 0.2085 0.4551 0.4715 1.2795 1.2977 1.7101 1.7617 1.9495 1.9565 2.3509 2.3571 2.5949 2.6011 3.2184 3.2201 3.4734 3.4848 3.7358 3.7379 3.9946 3.9947 4.0340 4.0383 9.1272 9.1435 9.8812 9.8954 10.3109 10.3142 10.7979 10.8160 11.0352 11.0390 k = 0.2907 0.4711-0.0000 ( 4986 PWs) bands (ev): -13.0888 -13.0880 -12.7717 -12.7716 -11.7920 -11.7893 -10.8355 -10.8277 -9.4504 -9.4262 -9.3901 -9.3609 -4.5715 -4.5696 -3.8205 -3.8148 -1.7786 -1.7064 -1.6509 -1.5917 -1.3191 -1.2973 -0.9233 -0.8993 0.1090 0.1574 0.5020 0.5176 1.2958 1.3140 1.7548 1.8067 1.9070 1.9135 2.3487 2.3546 2.5836 2.5894 3.2224 3.2235 3.4688 3.4806 3.7446 3.7471 4.0081 4.0085 4.0124 4.0164 9.1867 9.2038 9.8107 9.8243 10.3497 10.3527 10.8451 10.8613 10.9616 10.9702 k = 0.2998 0.4858-0.0000 ( 4978 PWs) bands (ev): -13.0716 -13.0708 -12.7726 -12.7726 -11.8349 -11.8324 -10.8014 -10.7932 -9.4661 -9.4428 -9.3883 -9.3586 -4.5758 -4.5739 -3.7944 -3.7890 -1.7975 -1.7252 -1.6133 -1.5550 -1.2452 -1.2234 -1.0311 -1.0082 0.0571 0.1066 0.5430 0.5576 1.3148 1.3331 1.7969 1.8484 1.8658 1.8726 2.3485 2.3543 2.5716 2.5770 3.2273 3.2277 3.4634 3.4757 3.7549 3.7576 3.9881 3.9927 4.0238 4.0238 9.2444 9.2620 9.7403 9.7533 10.3874 10.3903 10.8802 10.8810 10.8936 10.9209 k = 0.3089 0.5005-0.0000 ( 4966 PWs) bands (ev): -13.0549 -13.0540 -12.7736 -12.7735 -11.8761 -11.8739 -10.7661 -10.7574 -9.4821 -9.4596 -9.3878 -9.3579 -4.5809 -4.5790 -3.7691 -3.7639 -1.8130 -1.7402 -1.5719 -1.5150 -1.1771 -1.1516 -1.1340 -1.1162 0.0053 0.0560 0.5770 0.5906 1.3375 1.3556 1.8167 1.8281 1.8460 1.8925 2.3505 2.3560 2.5590 2.5640 3.2327 3.2329 3.4572 3.4700 3.7665 3.7695 3.9626 3.9674 4.0402 4.0403 9.3000 9.3182 9.6706 9.6829 10.4239 10.4267 10.8000 10.8078 10.9430 10.9623 k = 0.3179 0.5152-0.0000 ( 4974 PWs) bands (ev): -13.0388 -13.0379 -12.7745 -12.7744 -11.9157 -11.9136 -10.7295 -10.7204 -9.4980 -9.4765 -9.3889 -9.3588 -4.5867 -4.5848 -3.7444 -3.7395 -1.8246 -1.7515 -1.5275 -1.4718 -1.2460 -1.2227 -1.1007 -1.0821 -0.0464 0.0055 0.6030 0.6154 1.3644 1.3822 1.7805 1.7877 1.8811 1.9315 2.3543 2.3596 2.5461 2.5505 3.2385 3.2392 3.4504 3.4635 3.7796 3.7829 3.9356 3.9405 4.0577 4.0580 9.3536 9.3723 9.6018 9.6134 10.4586 10.4614 10.7210 10.7303 10.9933 11.0109 k = 0.3270 0.5300-0.0000 ( 4974 PWs) bands (ev): -13.0232 -13.0223 -12.7753 -12.7751 -11.9534 -11.9515 -10.6919 -10.6823 -9.5139 -9.4933 -9.3917 -9.3614 -4.5931 -4.5912 -3.7202 -3.7156 -1.8327 -1.7595 -1.4809 -1.4256 -1.3479 -1.3271 -1.0338 -1.0151 -0.0981 -0.0450 0.6203 0.6317 1.3959 1.4133 1.7418 1.7481 1.9180 1.9686 2.3600 2.3650 2.5330 2.5368 3.2448 3.2459 3.4428 3.4563 3.7942 3.7976 3.9072 3.9123 4.0761 4.0767 9.4051 9.4243 9.5343 9.5452 10.4911 10.4940 10.6456 10.6552 11.0441 11.0606 k = 0.3361 0.5447-0.0000 ( 4976 PWs) bands (ev): -13.0084 -13.0075 -12.7760 -12.7758 -11.9894 -11.9877 -10.6531 -10.6430 -9.5295 -9.5099 -9.3962 -9.3658 -4.6000 -4.5980 -3.6966 -3.6922 -1.8380 -1.7653 -1.4619 -1.4280 -1.4168 -1.3763 -0.9690 -0.9508 -0.1498 -0.0957 0.6288 0.6392 1.4316 1.4486 1.7041 1.7097 1.9531 2.0037 2.3675 2.3720 2.5198 2.5230 3.2516 3.2531 3.4346 3.4484 3.8102 3.8136 3.8778 3.8830 4.0951 4.0960 9.4537 9.4693 9.4738 9.4789 10.5185 10.5216 10.5768 10.5862 11.0952 11.1108 k = 0.3452 0.5594-0.0000 ( 4960 PWs) bands (ev): -12.9942 -12.9933 -12.7766 -12.7764 -12.0236 -12.0220 -10.6132 -10.6027 -9.5449 -9.5263 -9.4025 -9.3722 -4.6072 -4.6053 -3.6731 -3.6690 -1.8425 -1.7720 -1.5490 -1.5217 -1.3717 -1.3248 -0.9068 -0.8894 -0.2017 -0.1465 0.6287 0.6383 1.4711 1.4875 1.6682 1.6729 1.9862 2.0365 2.3765 2.3804 2.5070 2.5092 3.2587 3.2607 3.4256 3.4397 3.8277 3.8309 3.8476 3.8530 4.1145 4.1158 9.4040 9.4138 9.5023 9.5215 10.4963 10.5039 10.5592 10.5640 11.1460 11.1611 k = 0.3452 0.5594-0.0000 ( 4960 PWs) bands (ev): -12.9942 -12.9933 -12.7766 -12.7764 -12.0236 -12.0220 -10.6132 -10.6027 -9.5449 -9.5263 -9.4025 -9.3722 -4.6072 -4.6053 -3.6731 -3.6690 -1.8425 -1.7720 -1.5490 -1.5217 -1.3717 -1.3248 -0.9068 -0.8894 -0.2017 -0.1465 0.6287 0.6383 1.4711 1.4875 1.6682 1.6729 1.9862 2.0365 2.3765 2.3804 2.5070 2.5092 3.2587 3.2607 3.4256 3.4397 3.8277 3.8309 3.8476 3.8530 4.1145 4.1158 9.4040 9.4138 9.5023 9.5215 10.4963 10.5039 10.5592 10.5640 11.1460 11.1611 k = 0.3279 0.5594-0.0000 ( 4969 PWs) bands (ev): -13.0019 -13.0010 -12.7770 -12.7769 -12.0043 -12.0025 -10.6347 -10.6244 -9.5368 -9.5177 -9.3988 -9.3685 -4.6031 -4.6011 -3.6867 -3.6824 -1.8404 -1.7685 -1.5087 -1.4822 -1.3923 -1.3475 -0.9361 -0.9178 -0.1730 -0.1184 0.6296 0.6396 1.4485 1.4652 1.6861 1.6911 1.9695 2.0195 2.3730 2.3776 2.5142 2.5168 3.2552 3.2570 3.4297 3.4436 3.8164 3.8196 3.8658 3.8707 4.1041 4.1052 9.4305 9.4391 9.4848 9.5019 10.5103 10.5365 10.5465 10.5742 11.1191 11.1338 k = 0.3107 0.5594-0.0000 ( 4977 PWs) bands (ev): -13.0102 -13.0093 -12.7790 -12.7788 -11.9812 -11.9794 -10.6570 -10.6470 -9.5284 -9.5088 -9.3954 -9.3651 -4.5984 -4.5965 -3.7026 -3.6983 -1.8395 -1.7673 -1.4915 -1.4675 -1.3873 -1.3548 -0.9579 -0.9384 -0.1418 -0.0877 0.6281 0.6385 1.4237 1.4406 1.7025 1.7070 1.9543 2.0029 2.3726 2.3782 2.5225 2.5254 3.2524 3.2539 3.4318 3.4453 3.8053 3.8088 3.8838 3.8886 4.0940 4.0949 9.4291 9.4358 9.4967 9.5034 10.5025 10.5279 10.5794 10.6077 11.0924 11.1060 k = 0.2934 0.5594-0.0000 ( 4976 PWs) bands (ev): -13.0190 -13.0181 -12.7822 -12.7820 -11.9549 -11.9531 -10.6800 -10.6703 -9.5199 -9.4998 -9.3923 -9.3621 -4.5932 -4.5913 -3.7209 -3.7165 -1.8397 -1.7680 -1.5015 -1.4752 -1.3636 -1.3443 -0.9689 -0.9480 -0.1086 -0.0550 0.6244 0.6354 1.3967 1.4137 1.7147 1.7180 1.9432 1.9889 2.3751 2.3819 2.5316 2.5348 3.2502 3.2514 3.4312 3.4443 3.7959 3.7998 3.8998 3.9044 4.0850 4.0858 9.4069 9.4174 9.5203 9.5241 10.4909 10.5141 10.6205 10.6476 11.0669 11.0794 k = 0.2762 0.5594-0.0000 ( 4974 PWs) bands (ev): -13.0280 -13.0272 -12.7865 -12.7863 -11.9258 -11.9238 -10.7039 -10.6944 -9.5112 -9.4907 -9.3895 -9.3594 -4.5873 -4.5855 -3.7413 -3.7369 -1.8410 -1.7708 -1.5215 -1.4933 -1.3424 -1.3284 -0.9663 -0.9445 -0.0736 -0.0205 0.6190 0.6306 1.3678 1.3847 1.7185 1.7230 1.9397 1.9800 2.3802 2.3881 2.5416 2.5448 3.2483 3.2493 3.4277 3.4401 3.7888 3.7931 3.9123 3.9166 4.0788 4.0794 9.3830 9.3946 9.5431 9.5470 10.4799 10.5021 10.6621 10.6892 11.0432 11.0552 k = 0.2589 0.5594-0.0000 ( 4974 PWs) bands (ev): -13.0372 -13.0363 -12.7915 -12.7914 -11.8943 -11.8922 -10.7286 -10.7194 -9.5024 -9.4814 -9.3870 -9.3570 -4.5807 -4.5789 -3.7637 -3.7593 -1.8436 -1.7759 -1.5431 -1.5154 -1.3300 -1.3164 -0.9494 -0.9275 -0.0372 0.0154 0.6121 0.6245 1.3369 1.3538 1.7107 1.7205 1.9456 1.9788 2.3875 2.3963 2.5521 2.5553 3.2466 3.2473 3.4211 3.4326 3.7843 3.7890 3.9194 3.9234 4.0768 4.0774 9.3601 9.3720 9.5633 9.5672 10.4709 10.4924 10.7031 10.7305 11.0224 11.0341 k = 0.2416 0.5594-0.0000 ( 4979 PWs) bands (ev): -13.0463 -13.0455 -12.7972 -12.7970 -11.8608 -11.8586 -10.7541 -10.7452 -9.4935 -9.4722 -9.3847 -9.3549 -4.5734 -4.5717 -3.7877 -3.7834 -1.8475 -1.7832 -1.5644 -1.5387 -1.3249 -1.3097 -0.9205 -0.8992 0.0002 0.0523 0.6043 0.6175 1.3043 1.3212 1.6931 1.7089 1.9605 1.9864 2.3964 2.4061 2.5633 2.5664 3.2446 3.2454 3.4116 3.4222 3.7823 3.7872 3.9204 3.9239 4.0802 4.0810 9.3390 9.3508 9.5801 9.5840 10.4641 10.4851 10.7424 10.7702 11.0055 11.0172 k = 0.2244 0.5594-0.0000 ( 4982 PWs) bands (ev): -13.0552 -13.0545 -12.8032 -12.8030 -11.8256 -11.8233 -10.7804 -10.7718 -9.4847 -9.4630 -9.3828 -9.3532 -4.5652 -4.5636 -3.8131 -3.8090 -1.8527 -1.7926 -1.5854 -1.5625 -1.3236 -1.3064 -0.8835 -0.8632 0.0386 0.0902 0.5960 0.6100 1.2703 1.2871 1.6680 1.6887 1.9822 2.0019 2.4064 2.4169 2.5749 2.5779 3.2419 3.2430 3.3998 3.4094 3.7822 3.7872 3.9156 3.9185 4.0886 4.0898 9.3199 9.3315 9.5933 9.5971 10.4599 10.4802 10.7783 10.8062 10.9943 11.0059 k = 0.2071 0.5594-0.0000 ( 4978 PWs) bands (ev): -13.0639 -13.0632 -12.8094 -12.8092 -11.7892 -11.7868 -10.8075 -10.7992 -9.4760 -9.4539 -9.3812 -9.3518 -4.5563 -4.5547 -3.8396 -3.8357 -1.8589 -1.8036 -1.6064 -1.5863 -1.3228 -1.3041 -0.8419 -0.8229 0.0776 0.1286 0.5875 0.6025 1.2353 1.2519 1.6381 1.6623 2.0083 2.0231 2.4173 2.4283 2.5869 2.5897 3.2379 3.2397 3.3869 3.3953 3.7834 3.7882 3.9067 3.9090 4.1009 4.1023 9.3031 9.3142 9.6032 9.6067 10.4582 10.4777 10.8086 10.8354 10.9918 11.0021 k = 0.1899 0.5594-0.0000 ( 4982 PWs) bands (ev): -13.0723 -13.0716 -12.8156 -12.8154 -11.7519 -11.7493 -10.8353 -10.8273 -9.4674 -9.4451 -9.3798 -9.3507 -4.5465 -4.5451 -3.8670 -3.8633 -1.8658 -1.8156 -1.6273 -1.6100 -1.3206 -1.3013 -0.7984 -0.7808 0.1170 0.1674 0.5791 0.5952 1.1994 1.2159 1.6052 1.6315 2.0370 2.0482 2.4284 2.4399 2.5992 2.6018 3.2319 3.2346 3.3740 3.3811 3.7848 3.7893 3.8958 3.8975 4.1154 4.1170 9.2886 9.2991 9.6098 9.6132 10.4587 10.4774 10.8310 10.8546 11.0008 11.0078 k = 0.1726 0.5594-0.0000 ( 4976 PWs) bands (ev): -13.0802 -13.0795 -12.8217 -12.8215 -11.7141 -11.7113 -10.8637 -10.8560 -9.4591 -9.4364 -9.3788 -9.3500 -4.5360 -4.5346 -3.8948 -3.8914 -1.8733 -1.8282 -1.6482 -1.6333 -1.3163 -1.2971 -0.7550 -0.7389 0.1565 0.2062 0.5713 0.5887 1.1632 1.1795 1.5706 1.5980 2.0671 2.0755 2.4396 2.4511 2.6117 2.6141 3.2231 3.2269 3.3625 3.3681 3.7853 3.7890 3.8852 3.8862 4.1309 4.1325 9.2762 9.2862 9.6136 9.6168 10.4613 10.4790 10.8445 10.8635 11.0210 11.0240 k = 0.1553 0.5594-0.0000 ( 4979 PWs) bands (ev): -13.0875 -13.0870 -12.8274 -12.8272 -11.6760 -11.6731 -10.8927 -10.8853 -9.4510 -9.4282 -9.3780 -9.3497 -4.5247 -4.5235 -3.9227 -3.9195 -1.8807 -1.8407 -1.6686 -1.6557 -1.3099 -1.2915 -0.7131 -0.6985 0.1958 0.2447 0.5643 0.5831 1.1270 1.1431 1.5354 1.5630 2.0977 2.1038 2.4503 2.4618 2.6242 2.6265 3.2111 3.2160 3.3535 3.3577 3.7833 3.7860 3.8764 3.8771 4.1465 4.1481 9.2660 9.2753 9.6150 9.6180 10.4655 10.4819 10.8509 10.8658 11.0466 11.0501 k = 0.1381 0.5594-0.0000 ( 4977 PWs) bands (ev): -13.0943 -13.0938 -12.8328 -12.8326 -11.6381 -11.6351 -10.9219 -10.9149 -9.4432 -9.4203 -9.3776 -9.3497 -4.5129 -4.5117 -3.9503 -3.9474 -1.8880 -1.8529 -1.6881 -1.6770 -1.3018 -1.2847 -0.6735 -0.6605 0.2347 0.2826 0.5583 0.5786 1.0913 1.1071 1.5005 1.5277 2.1279 2.1322 2.4604 2.4716 2.6366 2.6388 3.1960 3.2018 3.3474 3.3504 3.7779 3.7794 3.8706 3.8719 4.1615 4.1630 9.2577 9.2662 9.6146 9.6174 10.4708 10.4859 10.8531 10.8650 11.0749 11.0809 k = 0.1208 0.5594-0.0000 ( 4979 PWs) bands (ev): -13.1004 -13.1000 -12.8377 -12.8375 -11.6007 -11.5977 -10.9511 -10.9446 -9.4359 -9.4130 -9.3774 -9.3502 -4.5006 -4.4995 -3.9771 -3.9746 -1.8947 -1.8643 -1.7062 -1.6968 -1.2927 -1.2772 -0.6372 -0.6258 0.2727 0.3195 0.5532 0.5752 1.0568 1.0722 1.4668 1.4929 2.1570 2.1600 2.4697 2.4803 2.6487 2.6510 3.1785 3.1848 3.3441 3.3461 3.7691 3.7696 3.8683 3.8702 4.1754 4.1768 9.2513 9.2589 9.6128 9.6154 10.4770 10.4906 10.8535 10.8633 11.1047 11.1122 k = 0.1036 0.5594-0.0000 ( 4980 PWs) bands (ev): -13.1058 -13.1054 -12.8420 -12.8419 -11.5645 -11.5614 -10.9801 -10.9740 -9.4289 -9.4064 -9.3773 -9.3511 -4.4882 -4.4872 -4.0026 -4.0004 -1.9006 -1.8747 -1.7227 -1.7146 -1.2831 -1.2695 -0.6046 -0.5949 0.3094 0.3549 0.5490 0.5727 1.0240 1.0388 1.4351 1.4595 2.1843 2.1862 2.4779 2.4878 2.6603 2.6627 3.1598 3.1663 3.3430 3.3443 3.7579 3.7581 3.8687 3.8709 4.1881 4.1893 9.2463 9.2531 9.6101 9.6125 10.4835 10.4954 10.8534 10.8617 11.1338 11.1420 k = 0.0863 0.5594-0.0000 ( 4984 PWs) bands (ev): -13.1105 -13.1101 -12.8458 -12.8457 -11.5299 -11.5269 -11.0081 -11.0026 -9.4224 -9.4008 -9.3771 -9.3524 -4.4760 -4.4752 -4.0263 -4.0244 -1.9055 -1.8841 -1.7370 -1.7303 -1.2737 -1.2622 -0.5763 -0.5683 0.3445 0.3882 0.5453 0.5708 0.9940 1.0078 1.4063 1.4283 2.2091 2.2102 2.4851 2.4939 2.6711 2.6736 3.1413 3.1475 3.3433 3.3442 3.7458 3.7463 3.8707 3.8728 4.1992 4.2002 9.2428 9.2485 9.6071 9.6091 10.4898 10.5000 10.8535 10.8603 11.1610 11.1691 k = 0.0690 0.5594-0.0000 ( 4987 PWs) bands (ev): -13.1143 -13.1140 -12.8489 -12.8488 -11.4979 -11.4951 -11.0345 -11.0296 -9.4164 -9.3966 -9.3765 -9.3541 -4.4646 -4.4639 -4.0473 -4.0458 -1.9093 -1.8922 -1.7489 -1.7436 -1.2651 -1.2557 -0.5527 -0.5463 0.3773 0.4188 0.5416 0.5686 0.9676 0.9800 1.3815 1.4003 2.2307 2.2313 2.4912 2.4987 2.6808 2.6832 3.1241 3.1297 3.3446 3.3452 3.7344 3.7350 3.8733 3.8752 4.2084 4.2093 9.2404 9.2451 9.6040 9.6057 10.4958 10.5040 10.8538 10.8593 11.1852 11.1926 k = 0.0518 0.5594-0.0000 ( 4993 PWs) bands (ev): -13.1173 -13.1171 -12.8514 -12.8513 -11.4698 -11.4673 -11.0579 -11.0539 -9.4110 -9.3943 -9.3748 -9.3563 -4.4545 -4.4539 -4.0650 -4.0638 -1.9119 -1.8991 -1.7583 -1.7543 -1.2576 -1.2505 -0.5339 -0.5291 0.4073 0.4454 0.5380 0.5653 0.9460 0.9563 1.3615 1.3765 2.2483 2.2488 2.4962 2.5021 2.6891 2.6912 3.1094 3.1141 3.3461 3.3465 3.7246 3.7252 3.8758 3.8773 4.2158 4.2165 9.2389 9.2425 9.6013 9.6026 10.5010 10.5073 10.8544 10.8586 11.2053 11.2116 k = 0.0345 0.5594-0.0000 ( 4997 PWs) bands (ev): -13.1195 -13.1194 -12.8532 -12.8531 -11.4471 -11.4452 -11.0767 -11.0738 -9.4061 -9.3942 -9.3720 -9.3589 -4.4465 -4.4461 -4.0784 -4.0776 -1.9131 -1.9046 -1.7649 -1.7622 -1.2516 -1.2469 -0.5202 -0.5170 0.4337 0.4656 0.5352 0.5600 0.9302 0.9378 1.3473 1.3577 2.2614 2.2618 2.5000 2.5042 2.6956 2.6972 3.0984 3.1017 3.3476 3.3479 3.7172 3.7176 3.8780 3.8790 4.2212 4.2217 9.2382 9.2406 9.5992 9.6001 10.5052 10.5094 10.8552 10.8580 11.2207 11.2252 k = 0.0173 0.5594-0.0000 ( 5006 PWs) bands (ev): -13.1208 -13.1207 -12.8543 -12.8542 -11.4320 -11.4309 -11.0890 -11.0874 -9.4019 -9.3957 -9.3687 -9.3619 -4.4413 -4.4411 -4.0868 -4.0864 -1.9131 -1.9088 -1.7686 -1.7673 -1.2475 -1.2451 -0.5116 -0.5100 0.4553 0.4748 0.5364 0.5524 0.9213 0.9253 1.3396 1.3449 2.2696 2.2698 2.5028 2.5049 2.6998 2.7008 3.0917 3.0935 3.3486 3.3488 3.7126 3.7128 3.8794 3.8800 4.2245 4.2247 9.2381 9.2393 9.5979 9.5984 10.5083 10.5104 10.8560 10.8575 11.2306 11.2329 k = 0.0000 0.5594-0.0000 ( 5004 PWs) bands (ev): -13.1212 -13.1212 -12.8546 -12.8546 -11.4263 -11.4263 -11.0927 -11.0927 -9.3984 -9.3984 -9.3652 -9.3652 -4.4394 -4.4394 -4.0895 -4.0895 -1.9116 -1.9116 -1.7694 -1.7694 -1.2453 -1.2453 -0.5082 -0.5082 0.4703 0.4703 0.5434 0.5434 0.9196 0.9196 1.3388 1.3388 2.2725 2.2725 2.5044 2.5044 2.7016 2.7016 3.0901 3.0901 3.3491 3.3491 3.7111 3.7111 3.8801 3.8801 4.2257 4.2257 9.2384 9.2384 9.5977 9.5977 10.5100 10.5100 10.8568 10.8568 11.2347 11.2347 k = 0.0000 0.5594-0.0000 ( 5004 PWs) bands (ev): -13.1212 -13.1212 -12.8546 -12.8546 -11.4263 -11.4263 -11.0927 -11.0927 -9.3984 -9.3984 -9.3652 -9.3652 -4.4394 -4.4394 -4.0895 -4.0895 -1.9116 -1.9116 -1.7694 -1.7694 -1.2453 -1.2453 -0.5082 -0.5082 0.4703 0.4703 0.5434 0.5434 0.9196 0.9196 1.3388 1.3388 2.2725 2.2725 2.5044 2.5044 2.7016 2.7016 3.0901 3.0901 3.3491 3.3491 3.7111 3.7111 3.8801 3.8801 4.2257 4.2257 9.2384 9.2384 9.5977 9.5977 10.5100 10.5100 10.8568 10.8568 11.2347 11.2347 k = 0.0000 0.5594 0.0173 ( 5006 PWs) bands (ev): -13.1209 -13.1209 -12.8546 -12.8546 -11.4255 -11.4255 -11.0922 -11.0921 -9.4006 -9.4001 -9.3673 -9.3672 -4.4379 -4.4377 -4.0879 -4.0870 -1.9089 -1.9087 -1.7711 -1.7704 -1.2446 -1.2438 -0.5150 -0.5120 0.4714 0.4743 0.5427 0.5436 0.9198 0.9205 1.3398 1.3409 2.2726 2.2734 2.4978 2.4982 2.7060 2.7067 3.0900 3.0905 3.3481 3.3482 3.7116 3.7122 3.8804 3.8805 4.2254 4.2255 9.2357 9.2375 9.5959 9.5964 10.4842 10.4912 10.8770 10.8825 11.1994 11.2100 k = 0.0000 0.5594 0.0346 ( 5000 PWs) bands (ev): -13.1198 -13.1198 -12.8545 -12.8545 -11.4231 -11.4230 -11.0907 -11.0904 -9.4066 -9.4057 -9.3737 -9.3734 -4.4332 -4.4330 -4.0821 -4.0803 -1.9006 -1.9002 -1.7755 -1.7739 -1.2416 -1.2401 -0.5323 -0.5265 0.4775 0.4827 0.5421 0.5434 0.9210 0.9224 1.3439 1.3460 2.2737 2.2753 2.4798 2.4807 2.7183 2.7196 3.0905 3.0914 3.3455 3.3457 3.7137 3.7148 3.8813 3.8816 4.2247 4.2249 9.2295 9.2330 9.5911 9.5920 10.4277 10.4390 10.9319 10.9401 11.1608 11.1712 k = 0.0000 0.5594 0.0519 ( 4998 PWs) bands (ev): -13.1182 -13.1181 -12.8544 -12.8544 -11.4190 -11.4190 -11.0880 -11.0876 -9.4166 -9.4151 -9.3841 -9.3837 -4.4255 -4.4252 -4.0722 -4.0696 -1.8869 -1.8862 -1.7829 -1.7804 -1.2359 -1.2337 -0.5590 -0.5507 0.4881 0.4938 0.5424 0.5427 0.9232 0.9253 1.3508 1.3539 2.2758 2.2781 2.4536 2.4550 2.7355 2.7374 3.0914 3.0928 3.3411 3.3414 3.7172 3.7187 3.8829 3.8833 4.2234 4.2238 9.2201 9.2253 9.5833 9.5844 10.3580 10.3720 11.0025 11.0112 11.1243 11.1340 k = 0.0000 0.5594 0.0692 ( 5000 PWs) bands (ev): -13.1158 -13.1157 -12.8542 -12.8542 -11.4134 -11.4133 -11.0842 -11.0837 -9.4302 -9.4283 -9.3986 -9.3980 -4.4147 -4.4143 -4.0583 -4.0548 -1.8681 -1.8669 -1.7935 -1.7900 -1.2271 -1.2242 -0.5941 -0.5838 0.5020 0.5046 0.5419 0.5459 0.9266 0.9292 1.3602 1.3641 2.2785 2.2816 2.4219 2.4238 2.7550 2.7574 3.0928 3.0946 3.3350 3.3355 3.7218 3.7237 3.8853 3.8859 4.2217 4.2222 9.2079 9.2146 9.5725 9.5736 10.2847 10.3006 11.0735 11.0743 11.1028 11.1029 k = 0.0000 0.5594 0.0865 ( 4998 PWs) bands (ev): -13.1128 -13.1127 -12.8541 -12.8541 -11.4061 -11.4060 -11.0793 -11.0787 -9.4475 -9.4451 -9.4170 -9.4162 -4.4010 -4.4005 -4.0405 -4.0362 -1.8454 -1.8431 -1.8071 -1.8021 -1.2144 -1.2110 -0.6362 -0.6244 0.5111 0.5171 0.5423 0.5557 0.9310 0.9340 1.3716 1.3763 2.2818 2.2855 2.3865 2.3888 2.7754 2.7783 3.0948 3.0969 3.3273 3.3280 3.7269 3.7291 3.8889 3.8895 4.2195 4.2201 9.1935 9.2017 9.5586 9.5596 10.2120 10.2299 11.0508 11.0616 11.1580 11.1681 k = 0.0000 0.5594 0.1038 ( 4992 PWs) bands (ev): -13.1091 -13.1090 -12.8539 -12.8539 -11.3972 -11.3971 -11.0732 -11.0726 -9.4684 -9.4655 -9.4390 -9.4381 -4.3844 -4.3838 -4.0190 -4.0139 -1.8324 -1.8314 -1.8079 -1.8038 -1.1974 -1.1935 -0.6841 -0.6711 0.5129 0.5280 0.5483 0.5712 0.9365 0.9398 1.3844 1.3897 2.2851 2.2895 2.3487 2.3512 2.7959 2.7991 3.0973 3.0997 3.3182 3.3189 3.7323 3.7346 3.8936 3.8942 4.2168 4.2175 9.1776 9.1872 9.5418 9.5422 10.1426 10.1625 11.0192 11.0297 11.2310 11.2406 k = 0.0000 0.5594 0.1211 ( 4978 PWs) bands (ev): -13.1048 -13.1048 -12.8537 -12.8537 -11.3866 -11.3865 -11.0661 -11.0653 -9.4925 -9.4892 -9.4646 -9.4634 -4.3650 -4.3643 -3.9940 -3.9881 -1.8524 -1.8497 -1.7758 -1.7751 -1.1755 -1.1711 -0.7363 -0.7226 0.5124 0.5307 0.5632 0.5895 0.9431 0.9465 1.3980 1.4038 2.2876 2.2908 2.3115 2.3122 2.8159 2.8194 3.1006 3.1032 3.3076 3.3085 3.7372 3.7396 3.8998 3.9003 4.2135 4.2144 9.1610 9.1718 9.5217 9.5221 10.0781 10.1002 10.9885 10.9987 11.2994 11.3083 k = 0.0000 0.5594 0.1383 ( 4980 PWs) bands (ev): -13.1000 -13.0999 -12.8536 -12.8536 -11.3745 -11.3743 -11.0578 -11.0570 -9.5199 -9.5161 -9.4934 -9.4921 -4.3430 -4.3423 -3.9656 -3.9590 -1.8800 -1.8761 -1.7378 -1.7375 -1.1484 -1.1437 -0.7916 -0.7776 0.5113 0.5306 0.5811 0.6083 0.9507 0.9540 1.4117 1.4180 2.2635 2.2680 2.2933 2.3008 2.8351 2.8390 3.1046 3.1073 3.2957 3.2968 3.7412 3.7435 3.9075 3.9078 4.2097 4.2108 9.1445 9.1563 9.4984 9.4997 10.0195 10.0440 10.9589 10.9690 11.3612 11.3695 k = 0.0000 0.5594 0.1556 ( 4978 PWs) bands (ev): -13.0946 -13.0945 -12.8535 -12.8535 -11.3606 -11.3605 -11.0484 -11.0474 -9.5503 -9.5461 -9.5252 -9.5237 -4.3185 -4.3177 -3.9341 -3.9268 -1.9123 -1.9077 -1.6966 -1.6955 -1.1161 -1.1111 -0.8485 -0.8345 0.5103 0.5303 0.5988 0.6264 0.9592 0.9622 1.4248 1.4315 2.2219 2.2265 2.2943 2.3026 2.8536 2.8576 3.1094 3.1121 3.2828 3.2840 3.7439 3.7460 3.9167 3.9169 4.2054 4.2066 9.1288 9.1417 9.4727 9.4752 9.9676 9.9945 10.9304 10.9403 11.4154 11.4232 k = 0.0000 0.5594 0.1729 ( 4972 PWs) bands (ev): -13.0886 -13.0885 -12.8535 -12.8535 -11.3452 -11.3450 -11.0378 -11.0367 -9.5835 -9.5790 -9.5596 -9.5580 -4.2915 -4.2907 -3.8998 -3.8918 -1.9488 -1.9438 -1.6530 -1.6510 -1.0785 -1.0736 -0.9050 -0.8918 0.5097 0.5304 0.6156 0.6431 0.9684 0.9709 1.4366 1.4436 2.1791 2.1837 2.2945 2.3037 2.8710 2.8753 3.1151 3.1176 3.2691 3.2704 3.7450 3.7468 3.9274 3.9274 4.2006 4.2019 9.1147 9.1286 9.4455 9.4492 9.9227 9.9518 10.9029 10.9125 11.4618 11.4691 k = 0.0000 0.5594 0.1902 ( 4976 PWs) bands (ev): -13.0822 -13.0820 -12.8536 -12.8536 -11.3281 -11.3279 -11.0261 -11.0249 -9.6194 -9.6147 -9.5963 -9.5946 -4.2623 -4.2615 -3.8628 -3.8542 -1.9892 -1.9839 -1.6091 -1.6060 -1.0362 -1.0328 -0.9573 -0.9468 0.5099 0.5311 0.6308 0.6581 0.9782 0.9801 1.4465 1.4538 2.1361 2.1407 2.2928 2.3029 2.8874 2.8918 3.1215 3.1239 3.2548 3.2563 3.7444 3.7458 3.9390 3.9393 4.1953 4.1967 9.1031 9.1179 9.4180 9.4228 9.8845 9.9159 10.8761 10.8855 11.5003 11.5074 k = 0.0000 0.5594 0.2075 ( 4974 PWs) bands (ev): -13.0752 -13.0751 -12.8539 -12.8538 -11.3094 -11.3092 -11.0132 -11.0119 -9.6579 -9.6531 -9.6349 -9.6333 -4.2309 -4.2301 -3.8235 -3.8143 -2.0330 -2.0275 -1.5682 -1.5635 -1.0194 -1.0052 -0.9805 -0.9717 0.5109 0.5325 0.6444 0.6713 0.9883 0.9895 1.4535 1.4612 2.0936 2.0982 2.2887 2.2997 2.9026 2.9071 3.1286 3.1306 3.2406 3.2421 3.7419 3.7429 3.9517 3.9521 4.1895 4.1911 9.0945 9.1102 9.3914 9.3972 9.8528 9.8861 10.8499 10.8589 11.5318 11.5388 k = 0.0000 0.5594 0.2248 ( 4978 PWs) bands (ev): -13.0679 -13.0678 -12.8543 -12.8542 -11.2890 -11.2888 -10.9991 -10.9977 -9.6987 -9.6940 -9.6749 -9.6737 -4.1975 -4.1968 -3.7821 -3.7724 -2.0797 -2.0741 -1.5355 -1.5284 -1.0520 -1.0403 -0.9332 -0.9242 0.5127 0.5346 0.6562 0.6824 0.9986 0.9990 1.4569 1.4651 2.0522 2.0566 2.2815 2.2936 2.9167 2.9213 3.1358 3.1371 3.2273 3.2286 3.7376 3.7383 3.9649 3.9655 4.1833 4.1850 9.0895 9.1062 9.3670 9.3736 9.8269 9.8620 10.8241 10.8327 11.5568 11.5640 k = 0.0000 0.5594 0.2421 ( 4976 PWs) bands (ev): -13.0602 -13.0600 -12.8549 -12.8548 -11.2670 -11.2668 -10.9838 -10.9823 -9.7416 -9.7373 -9.7162 -9.7154 -4.1622 -4.1615 -3.7389 -3.7287 -2.1288 -2.1232 -1.5185 -1.5082 -1.0707 -1.0624 -0.8766 -0.8678 0.5153 0.5376 0.6663 0.6917 1.0082 1.0086 1.4559 1.4646 2.0128 2.0169 2.2710 2.2841 2.9294 2.9341 3.1416 3.1419 3.2168 3.2176 3.7315 3.7319 3.9785 3.9791 4.1768 4.1787 9.0888 9.1064 9.3461 9.3534 9.8062 9.8428 10.7984 10.8065 11.5762 11.5838 k = 0.0000 0.5594 0.2594 ( 4972 PWs) bands (ev): -13.0522 -13.0520 -12.8557 -12.8556 -11.2434 -11.2431 -10.9674 -10.9658 -9.7865 -9.7825 -9.7585 -9.7583 -4.1250 -4.1244 -3.6942 -3.6836 -2.1798 -2.1742 -1.5237 -1.5103 -1.0647 -1.0598 -0.8158 -0.8066 0.5187 0.5412 0.6745 0.6991 1.0170 1.0182 1.4496 1.4589 1.9760 1.9796 2.2569 2.2708 2.9408 2.9455 3.1423 3.1435 3.2118 3.2118 3.7239 3.7239 3.9920 3.9927 4.1701 4.1721 9.0926 9.1112 9.3297 9.3375 9.7901 9.8281 10.7726 10.7801 11.5906 11.5987 k = 0.0000 0.5594 0.2767 ( 4974 PWs) bands (ev): -13.0438 -13.0436 -12.8568 -12.8567 -11.2182 -11.2179 -10.9498 -10.9481 -9.8329 -9.8294 -9.8020 -9.8017 -4.0862 -4.0857 -3.6484 -3.6374 -2.2320 -2.2266 -1.5516 -1.5359 -1.0336 -1.0309 -0.7512 -0.7417 0.5228 0.5455 0.6810 0.7048 1.0251 1.0269 1.4372 1.4473 1.9427 1.9457 2.2389 2.2537 2.9508 2.9556 3.1364 3.1390 3.2138 3.2146 3.7144 3.7147 4.0053 4.0060 4.1633 4.1654 9.1012 9.1209 9.3188 9.3269 9.7781 9.8173 10.7464 10.7532 11.6003 11.6091 k = 0.0000 0.5594 0.2940 ( 4974 PWs) bands (ev): -13.0352 -13.0351 -12.8581 -12.8580 -11.1914 -11.1911 -10.9310 -10.9292 -9.8808 -9.8776 -9.8463 -9.8456 -4.0458 -4.0454 -3.6018 -3.5905 -2.2849 -2.2798 -1.5966 -1.5796 -0.9826 -0.9812 -0.6833 -0.6735 0.5276 0.5504 0.6859 0.7089 1.0322 1.0346 1.4182 1.4291 1.9133 1.9157 2.2171 2.2326 2.9594 2.9642 3.1255 3.1289 3.2229 3.2240 3.7035 3.7040 4.0182 4.0188 4.1565 4.1587 9.1148 9.1357 9.3140 9.3222 9.7698 9.8100 10.7195 10.7255 11.6053 11.6147 k = 0.0000 0.5594 0.3113 ( 4972 PWs) bands (ev): -13.0265 -13.0263 -12.8598 -12.8596 -11.1631 -11.1627 -10.9111 -10.9093 -9.9296 -9.9268 -9.8911 -9.8900 -4.0039 -4.0036 -3.5548 -3.5434 -2.3379 -2.3331 -1.6524 -1.6348 -0.9184 -0.9175 -0.6128 -0.6025 0.5328 0.5556 0.6893 0.7114 1.0381 1.0409 1.3924 1.4041 1.8884 1.8900 2.1915 2.2078 2.9665 2.9714 3.1119 3.1159 3.2365 3.2375 3.6914 3.6922 4.0303 4.0309 4.1498 4.1521 9.1334 9.1556 9.3157 9.3240 9.7648 9.8059 10.6915 10.6967 11.5999 11.6060 k = 0.0000 0.5594 0.3286 ( 4978 PWs) bands (ev): -13.0176 -13.0174 -12.8617 -12.8616 -11.1332 -11.1328 -10.8901 -10.8882 -9.9792 -9.9767 -9.9362 -9.9348 -3.9606 -3.9605 -3.5081 -3.4965 -2.3903 -2.3859 -1.7146 -1.6969 -0.8455 -0.8447 -0.5401 -0.5293 0.5384 0.5611 0.6911 0.7125 1.0425 1.0455 1.3599 1.3726 1.8677 1.8686 2.1627 2.1794 2.9722 2.9772 3.0974 3.1018 3.2527 3.2536 3.6782 3.6791 4.0417 4.0422 4.1433 4.1457 9.1569 9.1804 9.3242 9.3323 9.7628 9.8046 10.6620 10.6663 11.5339 11.5540 k = 0.0000 0.5594 0.3459 ( 4968 PWs) bands (ev): -13.0086 -13.0083 -12.8641 -12.8639 -11.1019 -11.1015 -10.8681 -10.8661 -10.0291 -10.0269 -9.9813 -9.9796 -3.9161 -3.9160 -3.4622 -3.4507 -2.4410 -2.4373 -1.7806 -1.7628 -0.7668 -0.7659 -0.4659 -0.4546 0.5441 0.5666 0.6916 0.7121 1.0450 1.0480 1.3216 1.3351 1.8510 1.8513 2.1309 2.1479 2.9766 2.9816 3.0828 3.0874 3.2707 3.2713 3.6641 3.6652 4.0522 4.0525 4.1373 4.1397 9.1850 9.2101 9.3395 9.3473 9.7636 9.8059 10.6306 10.6340 11.4661 11.4873 k = 0.0000 0.5594 0.3632 ( 4972 PWs) bands (ev): -12.9995 -12.9993 -12.8668 -12.8666 -11.0692 -11.0687 -10.8452 -10.8431 -10.0792 -10.0771 -10.0263 -10.0244 -3.8704 -3.8704 -3.4181 -3.4068 -2.4892 -2.4863 -1.8486 -1.8310 -0.6844 -0.6832 -0.3908 -0.3790 0.5498 0.5719 0.6906 0.7103 1.0454 1.0481 1.2784 1.2926 1.8374 1.8378 2.0969 2.1141 2.9797 2.9848 3.0685 3.0734 3.2897 3.2901 3.6492 3.6504 4.0616 4.0619 4.1316 4.1341 9.2175 9.2441 9.3614 9.3685 9.7670 9.8096 10.5967 10.5993 11.3983 11.4204 k = 0.0000 0.5594 0.3805 ( 4972 PWs) bands (ev): -12.9904 -12.9902 -12.8698 -12.8697 -11.0352 -11.0347 -10.8216 -10.8194 -10.1289 -10.1270 -10.0710 -10.0689 -3.8238 -3.8236 -3.3769 -3.3661 -2.5334 -2.5314 -1.9177 -1.9003 -0.5995 -0.5980 -0.3157 -0.3035 0.5552 0.5766 0.6884 0.7071 1.0432 1.0455 1.2316 1.2465 1.8265 1.8274 2.0616 2.0787 2.9817 2.9869 3.0550 3.0600 3.3093 3.3095 3.6337 3.6350 4.0701 4.0701 4.1266 4.1290 9.2536 9.2820 9.3895 9.3954 9.7729 9.8155 10.5599 10.5616 11.3318 11.3551 k = 0.0000 0.5594 0.3978 ( 4976 PWs) bands (ev): -12.9814 -12.9812 -12.8733 -12.8732 -10.9999 -10.9994 -10.7975 -10.7952 -10.1778 -10.1761 -10.1151 -10.1128 -3.7763 -3.7760 -3.3403 -3.3302 -2.5717 -2.5710 -1.9871 -1.9699 -0.5135 -0.5116 -0.2417 -0.2291 0.5601 0.5803 0.6848 0.7024 1.0382 1.0398 1.1828 1.1982 1.8179 1.8195 2.0257 2.0425 2.9828 2.9881 3.0423 3.0475 3.3293 3.3293 3.6178 3.6191 4.0774 4.0775 4.1221 4.1245 9.2927 9.3230 9.4228 9.4272 9.7815 9.8236 10.5195 10.5206 11.2682 11.2930 k = 0.0000 0.5594 0.4150 ( 4976 PWs) bands (ev): -12.9725 -12.9723 -12.8772 -12.8770 -10.9636 -10.9630 -10.7732 -10.7709 -10.2255 -10.2239 -10.1583 -10.1560 -3.7280 -3.7276 -3.3104 -3.3013 -2.6028 -2.6019 -2.0562 -2.0393 -0.4273 -0.4250 -0.1700 -0.1572 0.5642 0.5827 0.6797 0.6961 1.0299 1.0308 1.1337 1.1493 1.8114 1.8135 1.9903 2.0066 2.9831 2.9885 3.0307 3.0361 3.3493 3.3495 3.6015 3.6029 4.0836 4.0838 4.1182 4.1205 9.3340 9.3662 9.4604 9.4622 9.7932 9.8339 10.4751 10.4755 11.2089 11.2357 k = 0.0000 0.5594 0.4323 ( 4974 PWs) bands (ev): -12.9638 -12.9635 -12.8815 -12.8813 -10.9265 -10.9258 -10.7495 -10.7471 -10.2711 -10.2696 -10.2004 -10.1980 -3.6792 -3.6786 -3.2894 -3.2817 -2.6245 -2.6217 -2.1247 -2.1080 -0.3421 -0.3394 -0.1023 -0.0895 0.5673 0.5833 0.6730 0.6881 1.0182 1.0185 1.0867 1.1018 1.8067 1.8095 1.9565 1.9720 2.9828 2.9883 3.0203 3.0258 3.3692 3.3695 3.5849 3.5863 4.0888 4.0892 4.1150 4.1172 9.3764 9.4105 9.4984 9.5003 9.8089 9.8471 10.4262 10.4263 11.1559 11.1849 k = 0.0000 0.5594 0.4496 ( 4966 PWs) bands (ev): -12.9552 -12.9549 -12.8863 -12.8861 -10.8887 -10.8880 -10.7273 -10.7249 -10.3134 -10.3120 -10.2411 -10.2386 -3.6300 -3.6294 -3.2795 -3.2736 -2.6338 -2.6288 -2.1920 -2.1757 -0.2591 -0.2560 -0.0407 -0.0284 0.5693 0.5819 0.6643 0.6781 1.0026 1.0031 1.0449 1.0579 1.8038 1.8073 1.9250 1.9396 2.9824 2.9880 3.0111 3.0167 3.3889 3.3894 3.5682 3.5696 4.0930 4.0936 4.1123 4.1144 9.4188 9.4548 9.5328 9.5400 9.8300 9.8640 10.3725 10.3728 11.1108 11.1423 k = 0.0000 0.5594 0.4669 ( 4966 PWs) bands (ev): -12.9468 -12.9466 -12.8914 -12.8912 -10.8508 -10.8500 -10.7082 -10.7059 -10.3507 -10.3493 -10.2798 -10.2774 -3.5809 -3.5802 -3.2820 -3.2778 -2.6293 -2.6220 -2.2578 -2.2419 -0.1796 -0.1762 0.0119 0.0229 0.5708 0.5790 0.6530 0.6660 0.9828 0.9855 1.0118 1.0199 1.8028 1.8070 1.8967 1.9102 2.9819 2.9876 3.0033 3.0089 3.4083 3.4089 3.5514 3.5527 4.0965 4.0972 4.1101 4.1122 9.4596 9.4974 9.5619 9.5761 9.8587 9.8867 10.3147 10.3150 11.0753 11.1094 k = 0.0000 0.5594 0.4842 ( 4972 PWs) bands (ev): -12.9387 -12.9385 -12.8970 -12.8968 -10.8134 -10.8124 -10.6949 -10.6927 -10.3804 -10.3789 -10.3159 -10.3135 -3.5321 -3.5314 -3.2966 -3.2940 -2.6112 -2.6018 -2.3216 -2.3061 -0.1055 -0.1021 0.0516 0.0605 0.5731 0.5759 0.6388 0.6516 0.9622 0.9674 0.9875 0.9897 1.8038 1.8088 1.8721 1.8843 2.9816 2.9874 2.9967 3.0024 3.4274 3.4281 3.5344 3.5357 4.0992 4.1001 4.1084 4.1103 9.4976 9.5369 9.5822 9.6043 9.8966 9.9174 10.2535 10.2536 11.0509 11.0876 k = 0.0000 0.5594 0.5015 ( 4966 PWs) bands (ev): -12.9309 -12.9306 -12.9030 -12.9028 -10.7774 -10.7763 -10.6907 -10.6887 -10.3990 -10.3973 -10.3484 -10.3460 -3.4842 -3.4836 -3.3217 -3.3203 -2.5811 -2.5700 -2.3827 -2.3678 -0.0393 -0.0362 0.0744 0.0803 0.5752 0.5780 0.6222 0.6353 0.9474 0.9523 0.9673 0.9686 1.8071 1.8131 1.8516 1.8624 2.9818 2.9876 2.9914 2.9972 3.4460 3.4469 3.5172 3.5184 4.1013 4.1024 4.1069 4.1087 9.5312 9.5713 9.5918 9.6213 9.9440 9.9578 10.1895 10.1902 11.0386 11.0777 k = 0.0000 0.5594 0.5188 ( 4964 PWs) bands (ev): -12.9234 -12.9231 -12.9094 -12.9092 -10.7444 -10.7431 -10.6981 -10.6963 -10.4039 -10.4020 -10.3756 -10.3733 -3.4379 -3.4375 -3.3549 -3.3544 -2.5412 -2.5288 -2.4404 -2.4261 0.0162 0.0183 0.0765 0.0791 0.5794 0.5873 0.6049 0.6179 0.9414 0.9440 0.9520 0.9538 1.8131 1.8202 1.8350 1.8446 2.9828 2.9874 2.9886 2.9932 3.4643 3.4653 3.4999 3.5010 4.1030 4.1043 4.1056 4.1073 9.5588 9.5905 9.5988 9.6255 9.9993 10.0076 10.1245 10.1265 11.0389 11.0775 k = 0.0000 0.5594 0.5361 ( 4964 PWs) bands (ev): -12.9162 -12.9162 -12.9160 -12.9160 -10.7169 -10.7169 -10.7154 -10.7154 -10.3952 -10.3952 -10.3931 -10.3931 -3.3942 -3.3942 -3.3941 -3.3941 -2.4937 -2.4937 -2.4803 -2.4803 0.0569 0.0569 0.0571 0.0571 0.5898 0.5898 0.6011 0.6011 0.9439 0.9439 0.9441 0.9441 1.8223 1.8223 1.8306 1.8306 2.9846 2.9846 2.9904 2.9904 3.4823 3.4823 3.4833 3.4833 4.1044 4.1044 4.1058 4.1058 9.5790 9.5790 9.6175 9.6175 10.0603 10.0603 10.0648 10.0648 11.0520 11.0520 k = 0.0000 0.5594 0.5361 ( 4964 PWs) bands (ev): -12.9162 -12.9162 -12.9160 -12.9160 -10.7169 -10.7169 -10.7154 -10.7154 -10.3952 -10.3952 -10.3931 -10.3931 -3.3942 -3.3942 -3.3941 -3.3941 -2.4937 -2.4937 -2.4803 -2.4803 0.0569 0.0569 0.0571 0.0571 0.5898 0.5898 0.6011 0.6011 0.9439 0.9439 0.9441 0.9441 1.8223 1.8223 1.8306 1.8306 2.9846 2.9846 2.9904 2.9904 3.4823 3.4823 3.4833 3.4833 4.1044 4.1044 4.1058 4.1058 9.5790 9.5790 9.6175 9.6175 10.0603 10.0603 10.0648 10.0648 11.0520 11.0520 k = 0.0173 0.5594 0.5361 ( 4964 PWs) bands (ev): -12.9159 -12.9159 -12.9157 -12.9157 -10.7190 -10.7190 -10.7174 -10.7174 -10.3935 -10.3935 -10.3913 -10.3913 -3.3933 -3.3933 -3.3924 -3.3924 -2.4952 -2.4952 -2.4817 -2.4817 0.0572 0.0572 0.0582 0.0582 0.5876 0.5876 0.6002 0.6002 0.9431 0.9431 0.9486 0.9486 1.8212 1.8212 1.8296 1.8296 2.9861 2.9861 2.9919 2.9919 3.4823 3.4823 3.4836 3.4836 4.1028 4.1028 4.1043 4.1043 9.5775 9.5775 9.6157 9.6157 10.0610 10.0610 10.0672 10.0672 11.0503 11.0503 k = 0.0345 0.5594 0.5361 ( 4966 PWs) bands (ev): -12.9151 -12.9151 -12.9149 -12.9149 -10.7253 -10.7253 -10.7234 -10.7234 -10.3887 -10.3887 -10.3863 -10.3863 -3.3897 -3.3897 -3.3879 -3.3879 -2.4994 -2.4994 -2.4859 -2.4859 0.0588 0.0588 0.0606 0.0606 0.5818 0.5818 0.5970 0.5970 0.9459 0.9459 0.9564 0.9564 1.8181 1.8181 1.8265 1.8265 2.9905 2.9905 2.9964 2.9964 3.4827 3.4827 3.4845 3.4845 4.0980 4.0980 4.0997 4.0997 9.5729 9.5729 9.6104 9.6104 10.0641 10.0641 10.0735 10.0735 11.0452 11.0452 k = 0.0518 0.5594 0.5361 ( 4972 PWs) bands (ev): -12.9138 -12.9138 -12.9135 -12.9135 -10.7353 -10.7353 -10.7330 -10.7330 -10.3809 -10.3809 -10.3783 -10.3783 -3.3836 -3.3836 -3.3809 -3.3809 -2.5064 -2.5064 -2.4929 -2.4929 0.0618 0.0618 0.0645 0.0645 0.5730 0.5730 0.5914 0.5914 0.9522 0.9522 0.9672 0.9672 1.8130 1.8130 1.8215 1.8215 2.9978 2.9978 3.0038 3.0038 3.4835 3.4835 3.4859 3.4859 4.0901 4.0901 4.0921 4.0921 9.5655 9.5655 9.6019 9.6019 10.0698 10.0698 10.0827 10.0827 11.0370 11.0370 k = 0.0690 0.5594 0.5361 ( 4966 PWs) bands (ev): -12.9119 -12.9119 -12.9116 -12.9116 -10.7485 -10.7485 -10.7457 -10.7457 -10.3707 -10.3707 -10.3678 -10.3678 -3.3750 -3.3750 -3.3714 -3.3714 -2.5160 -2.5160 -2.5025 -2.5025 0.0660 0.0660 0.0697 0.0697 0.5621 0.5621 0.5834 0.5834 0.9617 0.9617 0.9804 0.9804 1.8061 1.8061 1.8147 1.8147 3.0077 3.0077 3.0137 3.0137 3.4848 3.4848 3.4878 3.4878 4.0792 4.0792 4.0815 4.0815 9.5558 9.5558 9.5907 9.5907 10.0783 10.0783 10.0945 10.0945 11.0259 11.0259 k = 0.0863 0.5594 0.5361 ( 4970 PWs) bands (ev): -12.9096 -12.9096 -12.9092 -12.9092 -10.7641 -10.7641 -10.7611 -10.7611 -10.3586 -10.3586 -10.3555 -10.3555 -3.3641 -3.3641 -3.3597 -3.3597 -2.5279 -2.5279 -2.5144 -2.5144 0.0715 0.0715 0.0762 0.0762 0.5496 0.5496 0.5733 0.5733 0.9737 0.9737 0.9954 0.9954 1.7976 1.7976 1.8065 1.8065 3.0198 3.0198 3.0259 3.0259 3.4866 3.4866 3.4903 3.4903 4.0654 4.0654 4.0680 4.0680 9.5442 9.5442 9.5774 9.5774 10.0893 10.0893 10.1084 10.1084 11.0123 11.0123 k = 0.1036 0.5594 0.5361 ( 4972 PWs) bands (ev): -12.9068 -12.9068 -12.9063 -12.9063 -10.7818 -10.7818 -10.7785 -10.7785 -10.3450 -10.3450 -10.3418 -10.3418 -3.3513 -3.3513 -3.3460 -3.3460 -2.5420 -2.5420 -2.5285 -2.5285 0.0783 0.0783 0.0841 0.0841 0.5359 0.5359 0.5614 0.5614 0.9878 0.9878 1.0118 1.0118 1.7878 1.7878 1.7969 1.7969 3.0338 3.0338 3.0400 3.0400 3.4891 3.4891 3.4935 3.4935 4.0487 4.0487 4.0517 4.0517 9.5311 9.5311 9.5625 9.5625 10.1024 10.1024 10.1241 10.1241 10.9965 10.9965 k = 0.1208 0.5594 0.5361 ( 4970 PWs) bands (ev): -12.9035 -12.9035 -12.9030 -12.9030 -10.8011 -10.8011 -10.7975 -10.7975 -10.3304 -10.3304 -10.3270 -10.3270 -3.3369 -3.3369 -3.3307 -3.3307 -2.5579 -2.5579 -2.5442 -2.5442 0.0864 0.0864 0.0932 0.0932 0.5215 0.5215 0.5482 0.5482 1.0035 1.0035 1.0292 1.0292 1.7770 1.7770 1.7863 1.7863 3.0492 3.0492 3.0554 3.0554 3.4924 3.4924 3.4975 3.4975 4.0296 4.0296 4.0329 4.0329 9.5171 9.5171 9.5465 9.5465 10.1175 10.1175 10.1413 10.1413 10.9789 10.9789 k = 0.1381 0.5594 0.5361 ( 4966 PWs) bands (ev): -12.8999 -12.8999 -12.8993 -12.8993 -10.8214 -10.8214 -10.8178 -10.8178 -10.3150 -10.3150 -10.3116 -10.3116 -3.3212 -3.3212 -3.3142 -3.3142 -2.5750 -2.5750 -2.5613 -2.5613 0.0956 0.0956 0.1036 0.1036 0.5066 0.5066 0.5339 0.5339 1.0202 1.0202 1.0471 1.0471 1.7655 1.7655 1.7751 1.7751 3.0655 3.0655 3.0717 3.0717 3.4966 3.4966 3.5024 3.5024 4.0080 4.0080 4.0118 4.0118 9.5025 9.5025 9.5299 9.5299 10.1341 10.1341 10.1597 10.1597 10.9600 10.9600 k = 0.1553 0.5594 0.5361 ( 4962 PWs) bands (ev): -12.8959 -12.8959 -12.8953 -12.8953 -10.8426 -10.8426 -10.8389 -10.8389 -10.2991 -10.2991 -10.2956 -10.2956 -3.3050 -3.3050 -3.2972 -3.2972 -2.5928 -2.5928 -2.5790 -2.5790 0.1060 0.1060 0.1152 0.1152 0.4914 0.4914 0.5190 0.5190 1.0374 1.0374 1.0651 1.0651 1.7536 1.7536 1.7634 1.7634 3.0822 3.0822 3.0883 3.0883 3.5021 3.5021 3.5084 3.5084 3.9843 3.9843 3.9885 3.9885 9.4878 9.4878 9.5133 9.5133 10.1521 10.1521 10.1792 10.1792 10.9400 10.9400 k = 0.1726 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8917 -12.8917 -12.8910 -12.8910 -10.8644 -10.8644 -10.8605 -10.8605 -10.2829 -10.2829 -10.2794 -10.2794 -3.2889 -3.2889 -3.2804 -3.2804 -2.6106 -2.6106 -2.5967 -2.5967 0.1176 0.1176 0.1280 0.1280 0.4760 0.4760 0.5035 0.5035 1.0549 1.0549 1.0830 1.0830 1.7417 1.7417 1.7516 1.7516 3.0986 3.0986 3.1047 3.1047 3.5089 3.5089 3.5157 3.5157 3.9587 3.9587 3.9633 3.9633 9.4733 9.4733 9.4969 9.4969 10.1713 10.1713 10.1995 10.1995 10.9193 10.9193 k = 0.1899 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8872 -12.8872 -12.8865 -12.8865 -10.8864 -10.8864 -10.8824 -10.8824 -10.2665 -10.2665 -10.2629 -10.2629 -3.2739 -3.2739 -3.2647 -3.2647 -2.6274 -2.6274 -2.6133 -2.6133 0.1302 0.1302 0.1419 0.1419 0.4606 0.4606 0.4877 0.4877 1.0722 1.0722 1.1004 1.1004 1.7299 1.7299 1.7400 1.7400 3.1142 3.1142 3.1202 3.1202 3.5173 3.5173 3.5246 3.5246 3.9315 3.9315 3.9366 3.9366 9.4592 9.4592 9.4811 9.4811 10.1914 10.1914 10.2204 10.2204 10.8984 10.8984 k = 0.2071 0.5594 0.5361 ( 4966 PWs) bands (ev): -12.8825 -12.8825 -12.8818 -12.8818 -10.9084 -10.9084 -10.9045 -10.9045 -10.2500 -10.2500 -10.2465 -10.2465 -3.2611 -3.2611 -3.2513 -3.2513 -2.6421 -2.6421 -2.6279 -2.6279 0.1439 0.1439 0.1570 0.1570 0.4454 0.4454 0.4717 0.4717 1.0889 1.0889 1.1171 1.1171 1.7186 1.7186 1.7288 1.7288 3.1284 3.1284 3.1343 3.1343 3.5275 3.5275 3.5353 3.5353 3.9032 3.9032 3.9086 3.9086 9.4457 9.4457 9.4661 9.4661 10.2121 10.2121 10.2417 10.2417 10.8776 10.8776 k = 0.2244 0.5594 0.5361 ( 4954 PWs) bands (ev): -12.8778 -12.8778 -12.8770 -12.8770 -10.9303 -10.9303 -10.9263 -10.9263 -10.2335 -10.2335 -10.2300 -10.2300 -3.2516 -3.2516 -3.2415 -3.2415 -2.6534 -2.6534 -2.6392 -2.6392 0.1585 0.1585 0.1731 0.1731 0.4302 0.4302 0.4557 0.4557 1.1049 1.1049 1.1328 1.1328 1.7082 1.7082 1.7182 1.7182 3.1408 3.1408 3.1465 3.1465 3.5398 3.5398 3.5479 3.5479 3.8740 3.8740 3.8798 3.8798 9.4329 9.4329 9.4519 9.4519 10.2332 10.2332 10.2629 10.2629 10.8575 10.8575 k = 0.2416 0.5594 0.5361 ( 4956 PWs) bands (ev): -12.8730 -12.8730 -12.8723 -12.8723 -10.9518 -10.9518 -10.9478 -10.9478 -10.2171 -10.2171 -10.2136 -10.2136 -3.2469 -3.2469 -3.2367 -3.2367 -2.6599 -2.6599 -2.6459 -2.6459 0.1740 0.1740 0.1902 0.1902 0.4154 0.4154 0.4397 0.4397 1.1196 1.1196 1.1471 1.1471 1.6987 1.6987 1.7086 1.7086 3.1508 3.1508 3.1563 3.1563 3.5542 3.5542 3.5626 3.5626 3.8443 3.8443 3.8505 3.8505 9.4208 9.4208 9.4388 9.4388 10.2542 10.2542 10.2838 10.2838 10.8386 10.8386 k = 0.2589 0.5594 0.5361 ( 4958 PWs) bands (ev): -12.8684 -12.8684 -12.8676 -12.8676 -10.9728 -10.9728 -10.9689 -10.9689 -10.2008 -10.2008 -10.1974 -10.1974 -3.2482 -3.2482 -3.2382 -3.2382 -2.6606 -2.6606 -2.6467 -2.6467 0.1902 0.1902 0.2081 0.2081 0.4009 0.4009 0.4239 0.4239 1.1329 1.1329 1.1598 1.1598 1.6905 1.6905 1.7002 1.7002 3.1583 3.1583 3.1636 3.1636 3.5707 3.5707 3.5792 3.5792 3.8145 3.8145 3.8211 3.8211 9.4096 9.4096 9.4266 9.4266 10.2748 10.2748 10.3038 10.3038 10.8215 10.8215 k = 0.2762 0.5594 0.5361 ( 4964 PWs) bands (ev): -12.8638 -12.8638 -12.8631 -12.8631 -10.9930 -10.9930 -10.9892 -10.9892 -10.1846 -10.1846 -10.1812 -10.1812 -3.2561 -3.2561 -3.2466 -3.2466 -2.6545 -2.6545 -2.6410 -2.6410 0.2069 0.2069 0.2268 0.2268 0.3869 0.3869 0.4087 0.4087 1.1444 1.1444 1.1705 1.1705 1.6839 1.6839 1.6931 1.6931 3.1630 3.1630 3.1681 3.1681 3.5892 3.5892 3.5978 3.5978 3.7852 3.7852 3.7921 3.7921 9.3991 9.3991 9.4155 9.4155 10.2942 10.2942 10.3223 10.3223 10.8072 10.8072 k = 0.2934 0.5594 0.5361 ( 4966 PWs) bands (ev): -12.8596 -12.8596 -12.8588 -12.8588 -11.0124 -11.0124 -11.0086 -11.0086 -10.1686 -10.1686 -10.1653 -10.1653 -3.2712 -3.2712 -3.2623 -3.2623 -2.6416 -2.6416 -2.6284 -2.6284 0.2235 0.2235 0.2458 0.2458 0.3739 0.3739 0.3945 0.3945 1.1537 1.1537 1.1791 1.1791 1.6791 1.6791 1.6877 1.6877 3.1650 3.1650 3.1699 3.1699 3.6091 3.6091 3.6177 3.6177 3.7569 3.7569 3.7640 3.7640 9.3892 9.3892 9.4052 9.4052 10.3118 10.3118 10.3385 10.3385 10.7964 10.7964 k = 0.3107 0.5594 0.5361 ( 4962 PWs) bands (ev): -12.8556 -12.8556 -12.8548 -12.8548 -11.0308 -11.0308 -11.0271 -11.0271 -10.1528 -10.1528 -10.1494 -10.1494 -3.2932 -3.2932 -3.2849 -3.2849 -2.6222 -2.6222 -2.6093 -2.6093 0.2390 0.2390 0.2644 0.2644 0.3624 0.3624 0.3822 0.3822 1.1605 1.1605 1.1850 1.1850 1.6762 1.6762 1.6843 1.6843 3.1644 3.1644 3.1692 3.1692 3.6294 3.6294 3.6381 3.6381 3.7308 3.7308 3.7378 3.7378 9.3800 9.3800 9.3957 9.3957 10.3265 10.3265 10.3515 10.3515 10.7903 10.7903 k = 0.3279 0.5594 0.5361 ( 4954 PWs) bands (ev): -12.8521 -12.8521 -12.8513 -12.8513 -11.0480 -11.0480 -11.0443 -11.0443 -10.1371 -10.1371 -10.1338 -10.1338 -3.3214 -3.3214 -3.3137 -3.3137 -2.5970 -2.5970 -2.5842 -2.5842 0.2518 0.2518 0.2806 0.2806 0.3543 0.3543 0.3739 0.3739 1.1644 1.1644 1.1881 1.1881 1.6756 1.6756 1.6832 1.6832 3.1615 3.1615 3.1661 3.1661 3.6470 3.6470 3.6553 3.6553 3.7106 3.7106 3.7166 3.7166 9.3711 9.3711 9.3867 9.3867 10.3372 10.3372 10.3607 10.3607 10.7896 10.7896 k = 0.3452 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8491 -12.8491 -12.8483 -12.8483 -11.0638 -11.0638 -11.0603 -11.0603 -10.1216 -10.1216 -10.1184 -10.1184 -3.3551 -3.3551 -3.3479 -3.3479 -2.5670 -2.5670 -2.5542 -2.5542 0.2591 0.2591 0.2899 0.2899 0.3533 0.3533 0.3726 0.3726 1.1652 1.1652 1.1882 1.1882 1.6772 1.6772 1.6846 1.6846 3.1566 3.1566 3.1612 3.1612 3.6503 3.6503 3.6576 3.6576 3.7079 3.7079 3.7118 3.7118 9.3626 9.3626 9.3782 9.3782 10.3429 10.3429 10.3653 10.3653 10.7943 10.7943 k = 0.3452 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8491 -12.8491 -12.8483 -12.8483 -11.0638 -11.0638 -11.0603 -11.0603 -10.1216 -10.1216 -10.1184 -10.1184 -3.3551 -3.3551 -3.3479 -3.3479 -2.5670 -2.5670 -2.5542 -2.5542 0.2591 0.2591 0.2899 0.2899 0.3533 0.3533 0.3726 0.3726 1.1652 1.1652 1.1882 1.1882 1.6772 1.6772 1.6846 1.6846 3.1566 3.1566 3.1612 3.1612 3.6503 3.6503 3.6576 3.6576 3.7079 3.7079 3.7118 3.7118 9.3626 9.3626 9.3782 9.3782 10.3429 10.3429 10.3653 10.3653 10.7943 10.7943 k = 0.3361 0.5447 0.5361 ( 4962 PWs) bands (ev): -12.8544 -12.8544 -12.8537 -12.8537 -11.0342 -11.0342 -11.0304 -11.0304 -10.1512 -10.1512 -10.1479 -10.1479 -3.2852 -3.2852 -3.2772 -3.2772 -2.6296 -2.6296 -2.6170 -2.6170 0.2520 0.2520 0.2825 0.2825 0.3449 0.3449 0.3661 0.3661 1.1660 1.1660 1.1903 1.1903 1.6728 1.6728 1.6802 1.6802 3.1670 3.1670 3.1717 3.1717 3.6659 3.6659 3.6744 3.6744 3.6930 3.6930 3.6960 3.6960 9.3773 9.3773 9.3927 9.3927 10.3369 10.3369 10.3605 10.3605 10.7861 10.7861 k = 0.3270 0.5300 0.5361 ( 4978 PWs) bands (ev): -12.8601 -12.8601 -12.8593 -12.8593 -11.0030 -11.0030 -10.9991 -10.9991 -10.1810 -10.1810 -10.1776 -10.1776 -3.2137 -3.2137 -3.2048 -3.2048 -2.6946 -2.6946 -2.6823 -2.6823 0.2453 0.2453 0.2754 0.2754 0.3361 0.3361 0.3590 0.3590 1.1652 1.1652 1.1905 1.1905 1.6704 1.6704 1.6778 1.6778 3.1764 3.1764 3.1811 3.1811 3.6723 3.6723 3.6807 3.6807 3.6896 3.6896 3.6929 3.6929 9.3888 9.3888 9.4040 9.4040 10.3298 10.3298 10.3545 10.3545 10.7832 10.7832 k = 0.3179 0.5152 0.5361 ( 4974 PWs) bands (ev): -12.8660 -12.8660 -12.8652 -12.8652 -10.9705 -10.9705 -10.9665 -10.9665 -10.2109 -10.2109 -10.2075 -10.2075 -3.1408 -3.1408 -3.1310 -3.1310 -2.7618 -2.7618 -2.7499 -2.7499 0.2388 0.2388 0.2685 0.2685 0.3269 0.3269 0.3515 0.3515 1.1627 1.1627 1.1890 1.1890 1.6703 1.6703 1.6777 1.6777 3.1844 3.1844 3.1892 3.1892 3.6623 3.6623 3.6684 3.6684 3.7049 3.7049 3.7107 3.7107 9.3970 9.3970 9.4118 9.4118 10.3210 10.3210 10.3467 10.3467 10.7860 10.7860 k = 0.3089 0.5005 0.5361 ( 4974 PWs) bands (ev): -12.8722 -12.8722 -12.8713 -12.8713 -10.9367 -10.9367 -10.9325 -10.9325 -10.2408 -10.2408 -10.2374 -10.2374 -3.0669 -3.0669 -3.0561 -3.0561 -2.8309 -2.8309 -2.8196 -2.8196 0.2323 0.2323 0.2616 0.2616 0.3173 0.3173 0.3434 0.3434 1.1588 1.1588 1.1861 1.1861 1.6725 1.6725 1.6799 1.6799 3.1912 3.1912 3.1960 3.1960 3.6520 3.6520 3.6576 3.6576 3.7229 3.7229 3.7294 3.7294 9.4016 9.4016 9.4159 9.4159 10.3099 10.3099 10.3365 10.3365 10.7948 10.7948 k = 0.2998 0.4858 0.5361 ( 4970 PWs) bands (ev): -12.8786 -12.8786 -12.8777 -12.8777 -10.9016 -10.9016 -10.8972 -10.8972 -10.2706 -10.2706 -10.2673 -10.2673 -2.9928 -2.9928 -2.9804 -2.9804 -2.9014 -2.9014 -2.8911 -2.8911 0.2256 0.2256 0.2546 0.2546 0.3074 0.3074 0.3348 0.3348 1.1538 1.1538 1.1818 1.1818 1.6772 1.6772 1.6846 1.6846 3.1966 3.1966 3.2014 3.2014 3.6433 3.6433 3.6487 3.6487 3.7417 3.7417 3.7485 3.7485 9.4027 9.4027 9.4164 9.4164 10.2960 10.2960 10.3235 10.3235 10.8095 10.8095 k = 0.2907 0.4711 0.5361 ( 4962 PWs) bands (ev): -12.8853 -12.8853 -12.8843 -12.8843 -10.8652 -10.8652 -10.8607 -10.8607 -10.3002 -10.3002 -10.2969 -10.2969 -2.9769 -2.9769 -2.9651 -2.9651 -2.9147 -2.9147 -2.9035 -2.9035 0.2186 0.2186 0.2472 0.2472 0.2971 0.2971 0.3258 0.3258 1.1480 1.1480 1.1766 1.1766 1.6845 1.6845 1.6919 1.6919 3.2008 3.2008 3.2055 3.2055 3.6365 3.6365 3.6416 3.6416 3.7607 3.7607 3.7678 3.7678 9.4003 9.4003 9.4133 9.4133 10.2790 10.2790 10.3071 10.3071 10.8301 10.8301 k = 0.2816 0.4563 0.5361 ( 4962 PWs) bands (ev): -12.8921 -12.8921 -12.8912 -12.8912 -10.8277 -10.8277 -10.8231 -10.8231 -10.3294 -10.3294 -10.3261 -10.3261 -3.0501 -3.0501 -3.0397 -3.0397 -2.8403 -2.8403 -2.8271 -2.8271 0.2110 0.2110 0.2393 0.2393 0.2866 0.2866 0.3164 0.3164 1.1415 1.1415 1.1707 1.1707 1.6944 1.6944 1.7019 1.7019 3.2035 3.2035 3.2082 3.2082 3.6317 3.6317 3.6366 3.6366 3.7800 3.7800 3.7873 3.7873 9.3947 9.3947 9.4071 9.4071 10.2584 10.2584 10.2871 10.2871 10.8563 10.8563 k = 0.2725 0.4416 0.5361 ( 4966 PWs) bands (ev): -12.8992 -12.8992 -12.8982 -12.8982 -10.7892 -10.7892 -10.7844 -10.7844 -10.3582 -10.3582 -10.3550 -10.3550 -3.1255 -3.1255 -3.1159 -3.1159 -2.7650 -2.7650 -2.7506 -2.7506 0.2027 0.2027 0.2306 0.2306 0.2758 0.2758 0.3066 0.3066 1.1348 1.1348 1.1644 1.1644 1.7069 1.7069 1.7144 1.7144 3.2050 3.2050 3.2096 3.2096 3.6288 3.6288 3.6334 3.6334 3.7992 3.7992 3.8068 3.8068 9.3862 9.3862 9.3980 9.3980 10.2342 10.2342 10.2634 10.2634 10.8875 10.8875 k = 0.2634 0.4269 0.5361 ( 4962 PWs) bands (ev): -12.9064 -12.9064 -12.9054 -12.9054 -10.7496 -10.7496 -10.7448 -10.7448 -10.3865 -10.3865 -10.3833 -10.3833 -3.2022 -3.2022 -3.1932 -3.1932 -2.6899 -2.6899 -2.6743 -2.6743 0.1934 0.1934 0.2211 0.2211 0.2649 0.2649 0.2965 0.2965 1.1283 1.1283 1.1581 1.1581 1.7220 1.7220 1.7297 1.7297 3.2052 3.2052 3.2098 3.2098 3.6277 3.6277 3.6322 3.6322 3.8184 3.8184 3.8261 3.8261 9.3754 9.3754 9.3865 9.3865 10.2063 10.2063 10.2358 10.2358 10.9232 10.9232 k = 0.2544 0.4122 0.5361 ( 4964 PWs) bands (ev): -12.9138 -12.9138 -12.9128 -12.9128 -10.7092 -10.7092 -10.7042 -10.7042 -10.4142 -10.4142 -10.4110 -10.4110 -3.2797 -3.2797 -3.2713 -3.2713 -2.6153 -2.6153 -2.5986 -2.5986 0.1832 0.1832 0.2104 0.2104 0.2538 0.2538 0.2862 0.2862 1.1221 1.1221 1.1521 1.1521 1.7396 1.7396 1.7474 1.7474 3.2043 3.2043 3.2088 3.2088 3.6285 3.6285 3.6327 3.6327 3.8373 3.8373 3.8452 3.8452 9.3626 9.3626 9.3730 9.3730 10.1748 10.1748 10.2045 10.2045 10.9627 10.9627 k = 0.2453 0.3975 0.5361 ( 4968 PWs) bands (ev): -12.9213 -12.9213 -12.9203 -12.9203 -10.6679 -10.6679 -10.6629 -10.6629 -10.4411 -10.4411 -10.4381 -10.4381 -3.3579 -3.3579 -3.3502 -3.3502 -2.5416 -2.5416 -2.5237 -2.5237 0.1718 0.1718 0.1986 0.1986 0.2426 0.2426 0.2758 0.2758 1.1166 1.1166 1.1467 1.1467 1.7597 1.7597 1.7676 1.7676 3.2022 3.2022 3.2067 3.2067 3.6310 3.6310 3.6349 3.6349 3.8558 3.8558 3.8640 3.8640 9.3483 9.3483 9.3581 9.3581 10.1398 10.1398 10.1696 10.1696 11.0053 11.0053 k = 0.2362 0.3827 0.5361 ( 4964 PWs) bands (ev): -12.9290 -12.9290 -12.9280 -12.9280 -10.6259 -10.6259 -10.6208 -10.6208 -10.4673 -10.4673 -10.4644 -10.4644 -3.4366 -3.4366 -3.4295 -3.4295 -2.4689 -2.4689 -2.4499 -2.4499 0.1594 0.1594 0.1855 0.1855 0.2314 0.2314 0.2655 0.2655 1.1122 1.1122 1.1421 1.1421 1.7821 1.7821 1.7902 1.7902 3.1992 3.1992 3.2036 3.2036 3.6351 3.6351 3.6386 3.6386 3.8739 3.8739 3.8823 3.8823 9.3328 9.3328 9.3421 9.3421 10.1017 10.1017 10.1316 10.1316 11.0501 11.0501 k = 0.2271 0.3680 0.5361 ( 4968 PWs) bands (ev): -12.9367 -12.9367 -12.9357 -12.9357 -10.5834 -10.5834 -10.5782 -10.5782 -10.4927 -10.4927 -10.4899 -10.4899 -3.5155 -3.5155 -3.5091 -3.5091 -2.3976 -2.3976 -2.3775 -2.3775 0.1459 0.1459 0.1710 0.1710 0.2201 0.2201 0.2552 0.2552 1.1088 1.1088 1.1386 1.1386 1.8066 1.8066 1.8149 1.8149 3.1954 3.1954 3.1997 3.1997 3.6406 3.6406 3.6438 3.6438 3.8914 3.8914 3.9000 3.9000 9.3165 9.3165 9.3253 9.3253 10.0609 10.0609 10.0906 10.0906 11.0964 11.0964 k = 0.2180 0.3533 0.5361 ( 4960 PWs) bands (ev): -12.9445 -12.9445 -12.9434 -12.9434 -10.5410 -10.5410 -10.5353 -10.5353 -10.5165 -10.5165 -10.5143 -10.5143 -3.5945 -3.5945 -3.5886 -3.5886 -2.3278 -2.3278 -2.3067 -2.3067 0.1312 0.1312 0.1553 0.1553 0.2091 0.2091 0.2452 0.2452 1.1069 1.1069 1.1362 1.1362 1.8330 1.8330 1.8414 1.8414 3.1909 3.1909 3.1952 3.1952 3.6474 3.6474 3.6502 3.6502 3.9083 3.9083 3.9171 3.9171 9.2997 9.2997 9.3080 9.3080 10.0177 10.0177 10.0472 10.0472 11.1432 11.1432 k = 0.2089 0.3386 0.5361 ( 4968 PWs) bands (ev): -12.9523 -12.9523 -12.9512 -12.9512 -10.5418 -10.5418 -10.5386 -10.5386 -10.4960 -10.4960 -10.4912 -10.4912 -3.6732 -3.6732 -3.6680 -3.6680 -2.2599 -2.2599 -2.2377 -2.2377 0.1154 0.1154 0.1383 0.1383 0.1983 0.1983 0.2356 0.2356 1.1063 1.1063 1.1352 1.1352 1.8610 1.8610 1.8696 1.8696 3.1860 3.1860 3.1901 3.1901 3.6553 3.6553 3.6578 3.6578 3.9244 3.9244 3.9334 3.9334 9.2825 9.2825 9.2903 9.2903 9.9726 9.9726 10.0018 10.0018 11.1896 11.1896 k = 0.1999 0.3239 0.5361 ( 4972 PWs) bands (ev): -12.9601 -12.9601 -12.9590 -12.9590 -10.5643 -10.5643 -10.5614 -10.5614 -10.4526 -10.4526 -10.4475 -10.4475 -3.7515 -3.7515 -3.7468 -3.7468 -2.1938 -2.1938 -2.1708 -2.1708 0.0986 0.0986 0.1201 0.1201 0.1881 0.1881 0.2264 0.2264 1.1072 1.1072 1.1354 1.1354 1.8904 1.8904 1.8991 1.8991 3.1807 3.1807 3.1849 3.1849 3.6642 3.6642 3.6664 3.6664 3.9397 3.9397 3.9489 3.9489 9.2651 9.2651 9.2726 9.2726 9.9260 9.9260 9.9547 9.9547 11.2347 11.2347 k = 0.1908 0.3091 0.5361 ( 4980 PWs) bands (ev): -12.9678 -12.9678 -12.9668 -12.9668 -10.5860 -10.5860 -10.5833 -10.5833 -10.4088 -10.4088 -10.4037 -10.4037 -3.8291 -3.8291 -3.8250 -3.8250 -2.1300 -2.1300 -2.1061 -2.1061 0.0808 0.0808 0.1009 0.1009 0.1784 0.1784 0.2177 0.2177 1.1095 1.1095 1.1370 1.1370 1.9208 1.9208 1.9296 1.9296 3.1755 3.1755 3.1796 3.1796 3.6739 3.6739 3.6758 3.6758 3.9541 3.9541 3.9635 3.9635 9.2476 9.2476 9.2547 9.2547 9.8783 9.8783 9.9065 9.9065 11.2773 11.2773 k = 0.1817 0.2944 0.5361 ( 4976 PWs) bands (ev): -12.9755 -12.9755 -12.9745 -12.9745 -10.6068 -10.6068 -10.6043 -10.6043 -10.3650 -10.3650 -10.3599 -10.3599 -3.9058 -3.9058 -3.9022 -3.9022 -2.0685 -2.0685 -2.0439 -2.0439 0.0621 0.0621 0.0809 0.0809 0.1695 0.1695 0.2097 0.2097 1.1131 1.1131 1.1399 1.1399 1.9518 1.9518 1.9607 1.9607 3.1704 3.1704 3.1745 3.1745 3.6843 3.6843 3.6859 3.6859 3.9677 3.9677 3.9772 3.9772 9.2300 9.2300 9.2368 9.2368 9.8300 9.8300 9.8575 9.8575 11.3164 11.3164 k = 0.1726 0.2797 0.5361 ( 4980 PWs) bands (ev): -12.9831 -12.9831 -12.9821 -12.9821 -10.6267 -10.6267 -10.6242 -10.6242 -10.3214 -10.3214 -10.3164 -10.3164 -3.9813 -3.9813 -3.9782 -3.9782 -2.0095 -2.0095 -1.9843 -1.9843 0.0428 0.0428 0.0602 0.0602 0.1616 0.1616 0.2024 0.2024 1.1180 1.1180 1.1439 1.1439 1.9830 1.9830 1.9918 1.9918 3.1659 3.1659 3.1700 3.1700 3.6953 3.6953 3.6965 3.6965 3.9803 3.9803 3.9899 3.9899 9.2123 9.2123 9.2188 9.2188 9.7814 9.7814 9.8082 9.8082 11.3511 11.3511 k = 0.1635 0.2650 0.5361 ( 4956 PWs) bands (ev): -12.9905 -12.9905 -12.9895 -12.9895 -10.6455 -10.6455 -10.6432 -10.6432 -10.2781 -10.2781 -10.2732 -10.2732 -4.0554 -4.0554 -4.0528 -4.0528 -1.9532 -1.9532 -1.9274 -1.9274 0.0230 0.0230 0.0390 0.0390 0.1547 0.1547 0.1959 0.1959 1.1241 1.1241 1.1490 1.1490 2.0139 2.0139 2.0227 2.0227 3.1622 3.1622 3.1664 3.1664 3.7066 3.7066 3.7075 3.7075 3.9919 3.9919 4.0017 4.0017 9.1945 9.1945 9.2007 9.2007 9.7330 9.7330 9.7590 9.7590 11.3805 11.3805 k = 0.1544 0.2503 0.5361 ( 4960 PWs) bands (ev): -12.9978 -12.9978 -12.9968 -12.9968 -10.6633 -10.6633 -10.6611 -10.6611 -10.2354 -10.2354 -10.2306 -10.2306 -4.1278 -4.1278 -4.1255 -4.1255 -1.8996 -1.8996 -1.8736 -1.8736 0.0029 0.0029 0.0177 0.0177 0.1488 0.1488 0.1902 0.1902 1.1311 1.1311 1.1549 1.1549 2.0442 2.0442 2.0528 2.0528 3.1595 3.1595 3.1639 3.1639 3.7181 3.7181 3.7188 3.7188 4.0026 4.0026 4.0124 4.0124 9.1765 9.1765 9.1825 9.1825 9.6852 9.6852 9.7103 9.7103 11.4043 11.4043 k = 0.1453 0.2355 0.5361 ( 4954 PWs) bands (ev): -13.0048 -13.0048 -13.0039 -13.0039 -10.6801 -10.6801 -10.6780 -10.6780 -10.1935 -10.1935 -10.1887 -10.1887 -4.1981 -4.1981 -4.1963 -4.1963 -1.8489 -1.8489 -1.8228 -1.8228 -0.0172 -0.0172 -0.0036 -0.0036 0.1440 0.1440 0.1853 0.1853 1.1389 1.1389 1.1616 1.1616 2.0733 2.0733 2.0817 2.0817 3.1583 3.1583 3.1628 3.1628 3.7298 3.7298 3.7302 3.7302 4.0122 4.0122 4.0221 4.0221 9.1583 9.1583 9.1641 9.1641 9.6382 9.6382 9.6623 9.6623 11.4227 11.4227 k = 0.1363 0.2208 0.5361 ( 4954 PWs) bands (ev): -13.0116 -13.0116 -13.0108 -13.0108 -10.6958 -10.6958 -10.6939 -10.6939 -10.1525 -10.1525 -10.1478 -10.1478 -4.2663 -4.2663 -4.2648 -4.2648 -1.8011 -1.8011 -1.7751 -1.7751 -0.0372 -0.0372 -0.0247 -0.0247 0.1404 0.1404 0.1811 0.1811 1.1474 1.1474 1.1689 1.1689 2.1008 2.1008 2.1088 2.1088 3.1587 3.1587 3.1634 3.1634 3.7414 3.7414 3.7416 3.7416 4.0209 4.0209 4.0307 4.0307 9.1399 9.1399 9.1454 9.1454 9.5925 9.5925 9.6155 9.6155 11.4363 11.4363 k = 0.1272 0.2061 0.5361 ( 4964 PWs) bands (ev): -13.0182 -13.0182 -13.0174 -13.0174 -10.7105 -10.7105 -10.7087 -10.7087 -10.1126 -10.1126 -10.1081 -10.1081 -4.3319 -4.3319 -4.3307 -4.3307 -1.7564 -1.7564 -1.7307 -1.7307 -0.0569 -0.0569 -0.0454 -0.0454 0.1379 0.1379 0.1779 0.1779 1.1563 1.1563 1.1765 1.1765 2.1263 2.1263 2.1339 2.1339 3.1609 3.1609 3.1658 3.1658 3.7528 3.7528 3.7529 3.7529 4.0285 4.0285 4.0383 4.0383 9.1213 9.1213 9.1266 9.1266 9.5483 9.5483 9.5702 9.5702 11.4461 11.4461 k = 0.1181 0.1914 0.5361 ( 4960 PWs) bands (ev): -13.0245 -13.0245 -13.0237 -13.0237 -10.7241 -10.7241 -10.7224 -10.7224 -10.0741 -10.0741 -10.0698 -10.0698 -4.3947 -4.3947 -4.3938 -4.3938 -1.7147 -1.7147 -1.6896 -1.6896 -0.0760 -0.0760 -0.0655 -0.0655 0.1365 0.1365 0.1753 0.1753 1.1655 1.1655 1.1844 1.1844 2.1495 2.1495 2.1566 2.1566 3.1651 3.1651 3.1703 3.1703 3.7639 3.7639 3.7641 3.7641 4.0352 4.0352 4.0449 4.0449 9.1025 9.1025 9.1076 9.1076 9.5059 9.5059 9.5266 9.5266 11.4534 11.4534 k = 0.1090 0.1767 0.5361 ( 4960 PWs) bands (ev): -13.0304 -13.0304 -13.0296 -13.0296 -10.7367 -10.7367 -10.7352 -10.7352 -10.0371 -10.0371 -10.0331 -10.0331 -4.4543 -4.4543 -4.4537 -4.4537 -1.6761 -1.6761 -1.6518 -1.6518 -0.0943 -0.0943 -0.0847 -0.0847 0.1362 0.1362 0.1735 0.1735 1.1748 1.1748 1.1924 1.1924 2.1701 2.1701 2.1766 2.1766 3.1714 3.1714 3.1767 3.1767 3.7747 3.7747 3.7749 3.7749 4.0410 4.0410 4.0505 4.0505 9.0836 9.0836 9.0884 9.0884 9.4656 9.4656 9.4850 9.4850 11.4595 11.4595 k = 0.0999 0.1619 0.5361 ( 4956 PWs) bands (ev): -13.0359 -13.0359 -13.0353 -13.0353 -10.7483 -10.7483 -10.7469 -10.7469 -10.0020 -10.0020 -9.9982 -9.9982 -4.5106 -4.5106 -4.5102 -4.5102 -1.6407 -1.6407 -1.6173 -1.6173 -0.1117 -0.1117 -0.1030 -0.1030 0.1367 0.1367 0.1723 0.1723 1.1840 1.1840 1.2003 1.2003 2.1880 2.1880 2.1939 2.1939 3.1796 3.1796 3.1851 3.1851 3.7849 3.7849 3.7853 3.7853 4.0459 4.0459 4.0551 4.0551 9.0648 9.0648 9.0694 9.0694 9.4277 9.4277 9.4457 9.4457 11.4653 11.4653 k = 0.0908 0.1472 0.5361 ( 4954 PWs) bands (ev): -13.0411 -13.0411 -13.0405 -13.0405 -10.7588 -10.7588 -10.7575 -10.7575 -9.9689 -9.9689 -9.9653 -9.9653 -4.5632 -4.5632 -4.5629 -4.5629 -1.6083 -1.6083 -1.5862 -1.5862 -0.1280 -0.1280 -0.1202 -0.1202 0.1382 0.1382 0.1716 0.1716 1.1930 1.1930 1.2079 1.2079 2.2031 2.2031 2.2084 2.2084 3.1895 3.1895 3.1952 3.1952 3.7947 3.7947 3.7951 3.7951 4.0500 4.0500 4.0588 4.0588 9.0462 9.0462 9.0506 9.0506 9.3923 9.3923 9.4089 9.4089 11.4716 11.4716 k = 0.0818 0.1325 0.5361 ( 4958 PWs) bands (ev): -13.0459 -13.0459 -13.0453 -13.0453 -10.7683 -10.7683 -10.7671 -10.7671 -9.9381 -9.9381 -9.9348 -9.9348 -4.6118 -4.6118 -4.6117 -4.6117 -1.5791 -1.5791 -1.5585 -1.5585 -0.1432 -0.1432 -0.1362 -0.1362 0.1403 0.1403 0.1714 0.1714 1.2017 1.2017 1.2152 1.2152 2.2156 2.2156 2.2202 2.2202 3.2009 3.2009 3.2066 3.2066 3.8038 3.8038 3.8042 3.8042 4.0533 4.0533 4.0617 4.0617 9.0282 9.0282 9.0322 9.0322 9.3597 9.3597 9.3748 9.3748 11.4786 11.4786 k = 0.0727 0.1178 0.5361 ( 4954 PWs) bands (ev): -13.0502 -13.0502 -13.0497 -13.0497 -10.7768 -10.7768 -10.7757 -10.7757 -9.9098 -9.9098 -9.9067 -9.9067 -4.6561 -4.6561 -4.6561 -4.6561 -1.5529 -1.5529 -1.5340 -1.5340 -0.1570 -0.1570 -0.1508 -0.1508 0.1430 0.1430 0.1714 0.1714 1.2099 1.2099 1.2219 1.2219 2.2256 2.2256 2.2295 2.2295 3.2132 3.2132 3.2189 3.2189 3.8121 3.8121 3.8126 3.8126 4.0559 4.0559 4.0638 4.0638 9.0109 9.0109 9.0146 9.0146 9.3301 9.3301 9.3437 9.3437 11.4865 11.4865 k = 0.0636 0.1030 0.5361 ( 4946 PWs) bands (ev): -13.0541 -13.0541 -13.0536 -13.0536 -10.7842 -10.7842 -10.7833 -10.7833 -9.8841 -9.8841 -9.8814 -9.8814 -4.6961 -4.6961 -4.6960 -4.6960 -1.5298 -1.5298 -1.5128 -1.5128 -0.1694 -0.1694 -0.1640 -0.1640 0.1461 0.1461 0.1716 0.1716 1.2176 1.2176 1.2281 1.2281 2.2334 2.2334 2.2367 2.2367 3.2261 3.2261 3.2315 3.2315 3.8197 3.8197 3.8202 3.8202 4.0579 4.0579 4.0652 4.0652 8.9947 8.9947 8.9981 8.9981 9.3037 9.3037 9.3157 9.3157 11.4952 11.4953 k = 0.0545 0.0883 0.5361 ( 4946 PWs) bands (ev): -13.0575 -13.0575 -13.0571 -13.0571 -10.7907 -10.7907 -10.7899 -10.7899 -9.8614 -9.8614 -9.8591 -9.8591 -4.7312 -4.7312 -4.7311 -4.7311 -1.5097 -1.5097 -1.4947 -1.4947 -0.1802 -0.1802 -0.1756 -0.1756 0.1495 0.1495 0.1718 0.1718 1.2245 1.2245 1.2336 1.2336 2.2392 2.2392 2.2419 2.2419 3.2388 3.2388 3.2439 3.2439 3.8265 3.8265 3.8269 3.8269 4.0594 4.0594 4.0659 4.0659 8.9799 8.9799 8.9829 8.9829 9.2806 9.2806 9.2910 9.2910 11.5044 11.5047 k = 0.0454 0.0736 0.5361 ( 4942 PWs) bands (ev): -13.0603 -13.0603 -13.0600 -13.0600 -10.7961 -10.7961 -10.7954 -10.7954 -9.8418 -9.8418 -9.8398 -9.8398 -4.7614 -4.7614 -4.7612 -4.7612 -1.4925 -1.4925 -1.4798 -1.4798 -0.1894 -0.1894 -0.1857 -0.1857 0.1530 0.1530 0.1720 0.1720 1.2306 1.2306 1.2382 1.2382 2.2435 2.2435 2.2457 2.2457 3.2510 3.2510 3.2555 3.2555 3.8323 3.8323 3.8327 3.8327 4.0606 4.0606 4.0662 4.0662 8.9669 8.9669 8.9694 8.9694 9.2609 9.2609 9.2697 9.2697 11.5135 11.5135 k = 0.0363 0.0589 0.5361 ( 4950 PWs) bands (ev): -13.0627 -13.0627 -13.0625 -13.0625 -10.8005 -10.8005 -10.8000 -10.8000 -9.8255 -9.8255 -9.8239 -9.8239 -4.7863 -4.7863 -4.7861 -4.7861 -1.4783 -1.4783 -1.4680 -1.4680 -0.1970 -0.1970 -0.1940 -0.1940 0.1565 0.1565 0.1719 0.1719 1.2359 1.2359 1.2420 1.2420 2.2465 2.2465 2.2482 2.2482 3.2619 3.2619 3.2657 3.2657 3.8371 3.8371 3.8375 3.8375 4.0615 4.0615 4.0661 4.0661 8.9557 8.9557 8.9578 8.9578 9.2449 9.2449 9.2519 9.2519 11.5221 11.5221 k = 0.0273 0.0442 0.5361 ( 4952 PWs) bands (ev): -13.0646 -13.0646 -13.0644 -13.0644 -10.8039 -10.8039 -10.8035 -10.8035 -9.8126 -9.8126 -9.8113 -9.8113 -4.8059 -4.8059 -4.8057 -4.8057 -1.4670 -1.4670 -1.4591 -1.4591 -0.2029 -0.2029 -0.2006 -0.2006 0.1598 0.1598 0.1715 0.1715 1.2402 1.2402 1.2448 1.2448 2.2485 2.2485 2.2497 2.2497 3.2711 3.2711 3.2741 3.2741 3.8410 3.8410 3.8412 3.8412 4.0622 4.0622 4.0658 4.0658 8.9469 8.9469 8.9484 8.9484 9.2325 9.2325 9.2378 9.2378 11.5295 11.5298 k = 0.0182 0.0294 0.5361 ( 4964 PWs) bands (ev): -13.0659 -13.0659 -13.0658 -13.0658 -10.8064 -10.8064 -10.8061 -10.8061 -9.8032 -9.8032 -9.8024 -9.8024 -4.8200 -4.8200 -4.8199 -4.8199 -1.4585 -1.4585 -1.4532 -1.4532 -0.2070 -0.2070 -0.2055 -0.2055 0.1629 0.1629 0.1707 0.1707 1.2436 1.2436 1.2466 1.2466 2.2499 2.2499 2.2506 2.2506 3.2782 3.2782 3.2802 3.2802 3.8437 3.8437 3.8439 3.8439 4.0628 4.0628 4.0653 4.0653 8.9405 8.9405 8.9415 8.9415 9.2238 9.2238 9.2274 9.2274 11.5354 11.5354 k = 0.0091 0.0147 0.5361 ( 4960 PWs) bands (ev): -13.0667 -13.0667 -13.0666 -13.0666 -10.8078 -10.8078 -10.8077 -10.8077 -9.7974 -9.7974 -9.7970 -9.7970 -4.8284 -4.8284 -4.8284 -4.8284 -1.4529 -1.4529 -1.4502 -1.4502 -0.2093 -0.2093 -0.2086 -0.2086 0.1655 0.1655 0.1694 0.1694 1.2459 1.2459 1.2474 1.2474 2.2507 2.2507 2.2510 2.2510 3.2828 3.2828 3.2838 3.2838 3.8454 3.8454 3.8455 3.8455 4.0634 4.0634 4.0647 4.0647 8.9366 8.9366 8.9372 8.9372 9.2190 9.2190 9.2207 9.2207 11.5394 11.5394 k = 0.0000 0.0000 0.5361 ( 4944 PWs) bands (ev): -13.0669 -13.0669 -13.0669 -13.0669 -10.8082 -10.8082 -10.8082 -10.8082 -9.7954 -9.7954 -9.7954 -9.7954 -4.8312 -4.8312 -4.8312 -4.8312 -1.4501 -1.4501 -1.4501 -1.4501 -0.2099 -0.2099 -0.2099 -0.2099 0.1677 0.1677 0.1677 0.1677 1.2472 1.2472 1.2472 1.2472 2.2510 2.2510 2.2510 2.2510 3.2847 3.2847 3.2847 3.2847 3.8460 3.8460 3.8460 3.8460 4.0640 4.0640 4.0640 4.0640 8.9356 8.9356 8.9356 8.9356 9.2179 9.2179 9.2179 9.2179 11.5408 11.5408 k = 0.0000 0.0000 0.5361 ( 4944 PWs) bands (ev): -13.0669 -13.0669 -13.0669 -13.0669 -10.8082 -10.8082 -10.8082 -10.8082 -9.7954 -9.7954 -9.7954 -9.7954 -4.8312 -4.8312 -4.8312 -4.8312 -1.4501 -1.4501 -1.4501 -1.4501 -0.2099 -0.2099 -0.2099 -0.2099 0.1677 0.1677 0.1677 0.1677 1.2472 1.2472 1.2472 1.2472 2.2510 2.2510 2.2510 2.2510 3.2847 3.2847 3.2847 3.2847 3.8460 3.8460 3.8460 3.8460 4.0640 4.0640 4.0640 4.0640 8.9356 8.9356 8.9356 8.9356 9.2179 9.2179 9.2179 9.2179 11.5408 11.5408 k = 0.0000 0.0000 0.5188 ( 4953 PWs) bands (ev): -13.0868 -13.0868 -13.0474 -13.0474 -10.8451 -10.8451 -10.7697 -10.7697 -9.7984 -9.7984 -9.7929 -9.7929 -4.8300 -4.8300 -4.8290 -4.8290 -1.5860 -1.5860 -1.3163 -1.3163 -0.2467 -0.2467 -0.1741 -0.1741 0.1270 0.1270 0.2113 0.2113 1.2333 1.2333 1.2548 1.2548 2.2433 2.2433 2.2606 2.2606 3.2754 3.2754 3.2942 3.2942 3.8412 3.8412 3.8507 3.8507 4.0540 4.0540 4.0719 4.0719 8.9056 8.9056 8.9627 8.9627 9.2211 9.2211 9.2262 9.2262 11.5049 11.5049 k = 0.0000 0.0000 0.5015 ( 4957 PWs) bands (ev): -13.1070 -13.1070 -13.0283 -13.0283 -10.8804 -10.8804 -10.7297 -10.7297 -9.8021 -9.8021 -9.7910 -9.7910 -4.8253 -4.8253 -4.8233 -4.8233 -1.7232 -1.7232 -1.1855 -1.1855 -0.2843 -0.2843 -0.1398 -0.1398 0.0900 0.0900 0.2571 0.2571 1.2133 1.2133 1.2557 1.2557 2.2373 2.2373 2.2721 2.2721 3.2665 3.2665 3.3040 3.3040 3.8362 3.8362 3.8551 3.8551 4.0418 4.0418 4.0774 4.0774 8.8727 8.8727 8.9875 8.9875 9.2356 9.2356 9.2458 9.2458 11.4643 11.4643 k = 0.0000 0.0000 0.4842 ( 4951 PWs) bands (ev): -13.1273 -13.1273 -13.0096 -13.0096 -10.9141 -10.9141 -10.6882 -10.6882 -9.8063 -9.8063 -9.7898 -9.7898 -4.8173 -4.8173 -4.8141 -4.8141 -1.8610 -1.8610 -1.0590 -1.0590 -0.3225 -0.3225 -0.1076 -0.1076 0.0581 0.0581 0.3046 0.3046 1.1878 1.1878 1.2501 1.2501 2.2330 2.2330 2.2854 2.2854 3.2581 3.2581 3.3137 3.3137 3.8313 3.8313 3.8593 3.8593 4.0276 4.0276 4.0806 4.0806 8.8365 8.8365 9.0100 9.0100 9.2612 9.2612 9.2767 9.2767 11.4194 11.4194 k = 0.0000 0.0000 0.4669 ( 4965 PWs) bands (ev): -13.1479 -13.1479 -12.9914 -12.9914 -10.9463 -10.9463 -10.6452 -10.6452 -9.8110 -9.8110 -9.7891 -9.7891 -4.8059 -4.8059 -4.8016 -4.8016 -1.9990 -1.9990 -0.9391 -0.9391 -0.3610 -0.3610 -0.0781 -0.0781 0.0334 0.0334 0.3536 0.3536 1.1574 1.1574 1.2378 1.2378 2.2305 2.2305 2.3005 2.3005 3.2503 3.2503 3.3234 3.3234 3.8264 3.8264 3.8632 3.8632 4.0115 4.0115 4.0816 4.0816 8.7968 8.7968 9.0306 9.0306 9.2975 9.2975 9.3187 9.3187 11.3707 11.3707 k = 0.0000 0.0000 0.4496 ( 4967 PWs) bands (ev): -13.1685 -13.1685 -12.9738 -12.9738 -10.9768 -10.9768 -10.6009 -10.6009 -9.8162 -9.8162 -9.7890 -9.7890 -4.7913 -4.7913 -4.7856 -4.7856 -2.1366 -2.1366 -0.8285 -0.8285 -0.3997 -0.3997 -0.0526 -0.0526 0.0193 0.0193 0.4037 0.4037 1.1229 1.1229 1.2189 1.2189 2.2296 2.2296 2.3174 2.3174 3.2433 3.2433 3.3329 3.3329 3.8218 3.8218 3.8668 3.8668 3.9936 3.9936 4.0802 4.0802 8.7535 8.7535 9.0494 9.0494 9.3442 9.3442 9.3713 9.3713 11.3188 11.3188 k = 0.0000 0.0000 0.4323 ( 4969 PWs) bands (ev): -13.1891 -13.1891 -12.9567 -12.9567 -11.0058 -11.0058 -10.5552 -10.5552 -9.8219 -9.8219 -9.7894 -9.7894 -4.7735 -4.7735 -4.7664 -4.7664 -2.2736 -2.2736 -0.7315 -0.7315 -0.4383 -0.4383 -0.0316 -0.0316 0.0195 0.0195 0.4547 0.4547 1.0852 1.0852 1.1939 1.1939 2.2302 2.2302 2.3361 2.3361 3.2372 3.2372 3.3420 3.3420 3.8176 3.8176 3.8701 3.8701 3.9742 3.9742 4.0766 4.0766 8.7063 8.7063 9.0666 9.0666 9.4004 9.4004 9.4342 9.4342 11.2641 11.2641 k = 0.0000 0.0000 0.4150 ( 4969 PWs) bands (ev): -13.2096 -13.2096 -12.9403 -12.9403 -11.0332 -11.0332 -10.5083 -10.5083 -9.8279 -9.8279 -9.7904 -9.7904 -4.7527 -4.7527 -4.7439 -4.7439 -2.4096 -2.4096 -0.6533 -0.6533 -0.4766 -0.4766 -0.0105 -0.0105 0.0334 0.0334 0.5063 0.5063 1.0455 1.0455 1.1630 1.1630 2.2324 2.2324 2.3563 2.3563 3.2321 3.2321 3.3507 3.3507 3.8137 3.8137 3.8733 3.8733 3.9535 3.9535 4.0709 4.0709 8.6553 8.6553 9.0824 9.0824 9.4656 9.4656 9.5069 9.5069 11.2072 11.2072 k = 0.0000 0.0000 0.3978 ( 4961 PWs) bands (ev): -13.2300 -13.2300 -12.9245 -12.9245 -11.0592 -11.0592 -10.4604 -10.4603 -9.8344 -9.8344 -9.7919 -9.7919 -4.7290 -4.7290 -4.7184 -4.7184 -2.5441 -2.5441 -0.5992 -0.5992 -0.5135 -0.5135 0.0129 0.0129 0.0620 0.0620 0.5584 0.5584 1.0051 1.0051 1.1267 1.1267 2.2360 2.2360 2.3781 2.3781 3.2283 3.2283 3.3587 3.3587 3.8103 3.8103 3.8763 3.8763 3.9317 3.9317 4.0631 4.0631 8.6004 8.6004 9.0970 9.0970 9.5389 9.5389 9.5889 9.5889 11.1484 11.1484 k = 0.0000 0.0000 0.3805 ( 4973 PWs) bands (ev): -13.2502 -13.2502 -12.9094 -12.9094 -11.0836 -11.0836 -10.4114 -10.4114 -9.8411 -9.8411 -9.7938 -9.7938 -4.7027 -4.7027 -4.6900 -4.6900 -2.6769 -2.6769 -0.5769 -0.5769 -0.5419 -0.5419 0.0289 0.0289 0.1142 0.1142 0.6108 0.6108 0.9654 0.9654 1.0854 1.0854 2.2408 2.2408 2.4013 2.4013 3.2258 3.2258 3.3659 3.3659 3.8075 3.8075 3.8792 3.8792 3.9093 3.9093 4.0534 4.0534 8.5417 8.5417 9.1105 9.1105 9.6192 9.6192 9.6794 9.6794 11.0883 11.0883 k = 0.0000 0.0000 0.3632 ( 4975 PWs) bands (ev): -13.2701 -13.2701 -12.8949 -12.8949 -11.1066 -11.1066 -10.3617 -10.3617 -9.8481 -9.8481 -9.7961 -9.7961 -4.6738 -4.6738 -4.6587 -4.6587 -2.8077 -2.8077 -0.6001 -0.6001 -0.5443 -0.5443 0.0343 0.0343 0.1881 0.1881 0.6632 0.6632 0.9283 0.9283 1.0398 1.0398 2.2469 2.2469 2.4256 2.4256 3.2250 3.2250 3.3720 3.3720 3.8052 3.8052 3.8802 3.8802 3.8883 3.8883 4.0419 4.0419 8.4794 8.4794 9.1230 9.1230 9.7055 9.7055 9.7778 9.7778 11.0270 11.0270 k = 0.0000 0.0000 0.3459 ( 4979 PWs) bands (ev): -13.2896 -13.2896 -12.8812 -12.8812 -11.1282 -11.1282 -10.3113 -10.3113 -9.8553 -9.8553 -9.7988 -9.7988 -4.6426 -4.6426 -4.6249 -4.6249 -2.9361 -2.9361 -0.6358 -0.6358 -0.5480 -0.5480 0.0304 0.0304 0.2754 0.2754 0.7154 0.7154 0.8952 0.8952 0.9906 0.9906 2.2540 2.2540 2.4509 2.4509 3.2260 3.2260 3.3768 3.3768 3.8034 3.8034 3.8621 3.8621 3.8866 3.8866 4.0289 4.0289 8.4137 8.4137 9.1347 9.1347 9.7965 9.7965 9.8835 9.8835 10.9650 10.9650 k = 0.0000 0.0000 0.3286 ( 4975 PWs) bands (ev): -13.3086 -13.3086 -12.8682 -12.8682 -11.1485 -11.1485 -10.2604 -10.2604 -9.8626 -9.8626 -9.8018 -9.8018 -4.6093 -4.6093 -4.5886 -4.5886 -3.0618 -3.0618 -0.6728 -0.6728 -0.5592 -0.5592 0.0168 0.0168 0.3701 0.3701 0.7667 0.7667 0.8679 0.8679 0.9385 0.9385 2.2621 2.2621 2.4767 2.4767 3.2289 3.2289 3.3801 3.3801 3.8020 3.8020 3.8398 3.8398 3.8896 3.8896 4.0147 4.0147 8.3449 8.3449 9.1456 9.1456 9.8904 9.8904 9.9957 9.9957 10.9026 10.9026 k = 0.0000 0.0000 0.3113 ( 4979 PWs) bands (ev): -13.3272 -13.3272 -12.8559 -12.8559 -11.1674 -11.1674 -10.2093 -10.2093 -9.8700 -9.8700 -9.8051 -9.8051 -4.5742 -4.5742 -4.5502 -4.5502 -3.1845 -3.1845 -0.7097 -0.7097 -0.5754 -0.5754 -0.0064 -0.0064 0.4679 0.4679 0.8137 0.8137 0.8499 0.8499 0.8851 0.8851 2.2710 2.2710 2.5028 2.5028 3.2340 3.2340 3.3814 3.3814 3.8004 3.8004 3.8188 3.8188 3.8931 3.8931 3.9995 3.9995 8.2734 8.2734 9.1559 9.1559 9.9856 9.9856 10.1137 10.1137 10.8401 10.8401 k = 0.0000 0.0000 0.2940 ( 4981 PWs) bands (ev): -13.3451 -13.3451 -12.8442 -12.8442 -11.1850 -11.1850 -10.1583 -10.1583 -9.8774 -9.8774 -9.8086 -9.8086 -4.5376 -4.5376 -4.5100 -4.5100 -3.3038 -3.3038 -0.7464 -0.7464 -0.5947 -0.5947 -0.0392 -0.0392 0.5657 0.5657 0.8208 0.8208 0.8297 0.8297 0.8785 0.8785 2.2806 2.2806 2.5287 2.5287 3.2414 3.2414 3.3805 3.3805 3.7930 3.7930 3.8054 3.8054 3.8969 3.8969 3.9836 3.9836 8.1996 8.1996 9.1656 9.1656 10.0796 10.0796 10.2369 10.2369 10.7778 10.7778 k = 0.0000 0.0000 0.2767 ( 4979 PWs) bands (ev): -13.3624 -13.3624 -12.8334 -12.8334 -11.2014 -11.2014 -10.1074 -10.1074 -9.8848 -9.8848 -9.8123 -9.8123 -4.4996 -4.4996 -4.4681 -4.4681 -3.4193 -3.4193 -0.7827 -0.7827 -0.6155 -0.6155 -0.0805 -0.0805 0.6606 0.6606 0.7700 0.7700 0.8198 0.8198 0.9258 0.9258 2.2908 2.2908 2.5541 2.5541 3.2512 3.2512 3.3771 3.3771 3.7761 3.7761 3.8036 3.8036 3.9009 3.9009 3.9675 3.9675 8.1239 8.1239 9.1748 9.1748 10.1698 10.1698 10.3643 10.3643 10.7160 10.7160 k = 0.0000 0.0000 0.2594 ( 4975 PWs) bands (ev): -13.3790 -13.3790 -12.8232 -12.8232 -11.2166 -11.2166 -10.0571 -10.0571 -9.8920 -9.8920 -9.8160 -9.8160 -4.4608 -4.4608 -4.4250 -4.4250 -3.5308 -3.5308 -0.8184 -0.8184 -0.6368 -0.6368 -0.1291 -0.1291 0.7034 0.7034 0.7625 0.7625 0.8186 0.8186 0.9748 0.9748 2.3014 2.3014 2.5786 2.5786 3.2632 3.2632 3.3710 3.3710 3.7596 3.7596 3.8039 3.8039 3.9052 3.9052 3.9517 3.9517 8.0470 8.0470 9.1835 9.1835 10.2528 10.2528 10.4951 10.4951 10.6553 10.6553 k = 0.0000 0.0000 0.2421 ( 4965 PWs) bands (ev): -13.3947 -13.3947 -12.8137 -12.8137 -11.2306 -11.2306 -10.0077 -10.0077 -9.8990 -9.8990 -9.8198 -9.8198 -4.4213 -4.4213 -4.3809 -4.3809 -3.6378 -3.6378 -0.8535 -0.8535 -0.6581 -0.6581 -0.1835 -0.1835 0.6505 0.6505 0.8136 0.8136 0.8552 0.8552 1.0231 1.0231 2.3123 2.3123 2.6018 2.6018 3.2772 3.2772 3.3621 3.3621 3.7454 3.7454 3.8047 3.8047 3.9096 3.9096 3.9367 3.9367 7.9694 7.9694 9.1919 9.1919 10.3249 10.3249 10.5932 10.5932 10.6315 10.6315 k = 0.0000 0.0000 0.2248 ( 4969 PWs) bands (ev): -13.4097 -13.4097 -12.8049 -12.8049 -11.2434 -11.2434 -9.9595 -9.9595 -9.9056 -9.9056 -9.8236 -9.8236 -4.3817 -4.3817 -4.3364 -4.3364 -3.7400 -3.7400 -0.8878 -0.8878 -0.6788 -0.6788 -0.2419 -0.2419 0.5948 0.5948 0.8213 0.8213 0.9379 0.9379 1.0705 1.0705 2.3233 2.3233 2.6233 2.6233 3.2927 3.2927 3.3505 3.3505 3.7337 3.7337 3.8059 3.8059 3.9141 3.9141 3.9233 3.9233 7.8917 7.8917 9.1999 9.1999 10.3825 10.3825 10.5369 10.5369 10.7659 10.7659 k = 0.0000 0.0000 0.2075 ( 4969 PWs) bands (ev): -13.4238 -13.4238 -12.7969 -12.7969 -11.2552 -11.2552 -9.9178 -9.9178 -9.9071 -9.9071 -9.8272 -9.8272 -4.3422 -4.3422 -4.2917 -4.2917 -3.8369 -3.8369 -0.9213 -0.9213 -0.6987 -0.6987 -0.3028 -0.3028 0.5404 0.5404 0.8292 0.8292 1.0178 1.0178 1.1167 1.1167 2.3343 2.3343 2.6430 2.6430 3.3087 3.3087 3.3369 3.3369 3.7244 3.7244 3.8073 3.8073 3.9110 3.9110 3.9196 3.9196 7.8147 7.8147 9.2075 9.2075 10.4227 10.4227 10.4820 10.4820 10.9029 10.9029 k = 0.0000 0.0000 0.1902 ( 4969 PWs) bands (ev): -13.4369 -13.4369 -12.7895 -12.7895 -11.2659 -11.2659 -9.9195 -9.9195 -9.8669 -9.8669 -9.8305 -9.8305 -4.3033 -4.3033 -4.2475 -4.2475 -3.9282 -3.9282 -0.9537 -0.9537 -0.7176 -0.7176 -0.3647 -0.3647 0.4881 0.4881 0.8385 0.8385 1.0920 1.0920 1.1619 1.1619 2.3451 2.3451 2.6607 2.6607 3.3161 3.3161 3.3300 3.3300 3.7176 3.7176 3.8088 3.8088 3.9024 3.9024 3.9242 3.9242 7.7391 7.7391 9.2149 9.2149 10.4217 10.4217 10.4538 10.4538 11.0405 11.0405 k = 0.0000 0.0000 0.1729 ( 4975 PWs) bands (ev): -13.4490 -13.4490 -12.7828 -12.7828 -11.2756 -11.2756 -9.9252 -9.9252 -9.8367 -9.8367 -9.8214 -9.8214 -4.2655 -4.2655 -4.2042 -4.2042 -4.0135 -4.0135 -0.9848 -0.9848 -0.7352 -0.7352 -0.4261 -0.4261 0.4386 0.4386 0.8486 0.8486 1.1583 1.1583 1.2073 1.2073 2.3556 2.3556 2.6764 2.6764 3.3007 3.3007 3.3436 3.3436 3.7128 3.7128 3.8105 3.8105 3.8971 3.8971 3.9291 3.9291 7.6656 7.6656 9.2219 9.2219 10.3733 10.3733 10.4609 10.4609 11.1776 11.1776 k = 0.0000 0.0000 0.1556 ( 4977 PWs) bands (ev): -13.4601 -13.4601 -12.7767 -12.7767 -11.2843 -11.2843 -9.9306 -9.9306 -9.8385 -9.8385 -9.7826 -9.7826 -4.2292 -4.2292 -4.1625 -4.1625 -4.0921 -4.0921 -1.0145 -1.0145 -0.7514 -0.7514 -0.4859 -0.4859 0.3923 0.3923 0.8590 0.8590 1.2138 1.2138 1.2551 1.2551 2.3656 2.3656 2.6902 2.6902 3.2823 3.2823 3.3574 3.3574 3.7097 3.7097 3.8121 3.8121 3.8956 3.8956 3.9338 3.9338 7.5952 7.5952 9.2286 9.2286 10.3257 10.3257 10.4589 10.4589 11.3131 11.3131 k = 0.0000 0.0000 0.1383 ( 4977 PWs) bands (ev): -13.4702 -13.4702 -12.7714 -12.7714 -11.2919 -11.2919 -9.9355 -9.9355 -9.8414 -9.8414 -9.7453 -9.7453 -4.1952 -4.1952 -4.1644 -4.1644 -4.1221 -4.1221 -1.0424 -1.0424 -0.7661 -0.7661 -0.5429 -0.5429 0.3498 0.3498 0.8692 0.8692 1.2579 1.2579 1.3055 1.3055 2.3750 2.3750 2.7021 2.7021 3.2635 3.2635 3.3688 3.3688 3.7079 3.7079 3.8137 3.8137 3.8982 3.8982 3.9384 3.9384 7.5287 7.5287 9.2350 9.2350 10.2813 10.2813 10.4493 10.4493 11.4459 11.4459 k = 0.0000 0.0000 0.1211 ( 4975 PWs) bands (ev): -13.4791 -13.4791 -12.7667 -12.7667 -11.2987 -11.2987 -9.9400 -9.9400 -9.8441 -9.8441 -9.7112 -9.7112 -4.2292 -4.2292 -4.1630 -4.1630 -4.0852 -4.0852 -1.0683 -1.0683 -0.7794 -0.7794 -0.5960 -0.5960 0.3114 0.3114 0.8789 0.8789 1.2940 1.2940 1.3543 1.3543 2.3837 2.3837 2.7123 2.7123 3.2451 3.2451 3.3774 3.3774 3.7070 3.7070 3.8152 3.8152 3.9046 3.9046 3.9428 3.9428 7.4670 7.4670 9.2410 9.2410 10.2408 10.2408 10.4352 10.4352 11.5747 11.5747 k = 0.0000 0.0000 0.1038 ( 4987 PWs) bands (ev): -13.4869 -13.4869 -12.7626 -12.7626 -11.3045 -11.3045 -9.9440 -9.9440 -9.8466 -9.8466 -9.6807 -9.6807 -4.2860 -4.2860 -4.1343 -4.1343 -4.0513 -4.0513 -1.0917 -1.0917 -0.7910 -0.7910 -0.6442 -0.6442 0.2776 0.2776 0.8878 0.8878 1.3248 1.3248 1.3984 1.3984 2.3915 2.3915 2.7208 2.7208 3.2277 3.2277 3.3830 3.3830 3.7069 3.7069 3.8165 3.8165 3.9140 3.9140 3.9467 3.9467 7.4111 7.4111 9.2465 9.2465 10.2047 10.2047 10.4191 10.4191 11.6977 11.6977 k = 0.0000 0.0000 0.0865 ( 4987 PWs) bands (ev): -13.4936 -13.4936 -12.7592 -12.7592 -11.3093 -11.3093 -9.9474 -9.9474 -9.8487 -9.8487 -9.6543 -9.6543 -4.3348 -4.3348 -4.1090 -4.1090 -4.0213 -4.0213 -1.1123 -1.1123 -0.8011 -0.8011 -0.6865 -0.6865 0.2485 0.2485 0.8957 0.8957 1.3510 1.3510 1.4366 1.4366 2.3983 2.3983 2.7279 2.7279 3.2119 3.2119 3.3861 3.3861 3.7072 3.7072 3.8178 3.8178 3.9253 3.9253 3.9503 3.9503 7.3618 7.3618 9.2514 9.2514 10.1732 10.1732 10.4029 10.4029 11.8127 11.8127 k = 0.0000 0.0000 0.0692 ( 4979 PWs) bands (ev): -13.4990 -13.4990 -12.7564 -12.7564 -11.3133 -11.3133 -9.9502 -9.9502 -9.8505 -9.8505 -9.6321 -9.6321 -4.3753 -4.3753 -4.0877 -4.0877 -3.9959 -3.9959 -1.1299 -1.1299 -0.8096 -0.8096 -0.7222 -0.7222 0.2244 0.2244 0.9023 0.9023 1.3726 1.3726 1.4684 1.4684 2.4041 2.4041 2.7336 2.7336 3.1983 3.1983 3.3872 3.3872 3.7077 3.7077 3.8188 3.8188 3.9370 3.9370 3.9533 3.9533 7.3200 7.3200 9.2556 9.2556 10.1469 10.1469 10.3881 10.3881 11.9170 11.9170 k = 0.0000 0.0000 0.0519 ( 4981 PWs) bands (ev): -13.5033 -13.5033 -12.7542 -12.7542 -11.3164 -11.3164 -9.9524 -9.9524 -9.8519 -9.8519 -9.6146 -9.6146 -4.4072 -4.4072 -4.0706 -4.0706 -3.9754 -3.9754 -1.1439 -1.1439 -0.8165 -0.8165 -0.7504 -0.7504 0.2055 0.2055 0.9076 0.9076 1.3897 1.3897 1.4933 1.4933 2.4086 2.4086 2.7380 2.7380 3.1872 3.1872 3.3871 3.3871 3.7082 3.7082 3.8196 3.8196 3.9478 3.9478 3.9558 3.9558 7.2865 7.2865 9.2591 9.2591 10.1261 10.1261 10.3757 10.3757 12.0066 12.0066 k = 0.0000 0.0000 0.0346 ( 4973 PWs) bands (ev): -13.5064 -13.5064 -12.7526 -12.7526 -11.3185 -11.3185 -9.9540 -9.9540 -9.8530 -9.8530 -9.6019 -9.6019 -4.4301 -4.4301 -4.0581 -4.0581 -3.9604 -3.9604 -1.1542 -1.1542 -0.8218 -0.8218 -0.7707 -0.7707 0.1919 0.1919 0.9115 0.9115 1.4021 1.4021 1.5113 1.5113 2.4120 2.4120 2.7411 2.7411 3.1789 3.1789 3.3865 3.3865 3.7087 3.7087 3.8203 3.8203 3.9560 3.9560 3.9582 3.9582 7.2621 7.2621 9.2617 9.2617 10.1109 10.1109 10.3663 10.3663 12.0767 12.0767 k = 0.0000 0.0000 0.0173 ( 4965 PWs) bands (ev): -13.5082 -13.5082 -12.7517 -12.7517 -11.3199 -11.3199 -9.9550 -9.9550 -9.8536 -9.8536 -9.5942 -9.5942 -4.4439 -4.4439 -4.0505 -4.0505 -3.9513 -3.9513 -1.1604 -1.1604 -0.8253 -0.8253 -0.7827 -0.7827 0.1837 0.1837 0.9138 0.9138 1.4095 1.4095 1.5221 1.5221 2.4140 2.4140 2.7430 2.7430 3.1739 3.1739 3.3859 3.3859 3.7090 3.7090 3.8206 3.8206 3.9582 3.9582 3.9627 3.9627 7.2472 7.2472 9.2633 9.2633 10.1018 10.1018 10.3605 10.3605 12.1218 12.1218 k = 0.0000 0.0000 0.0000 ( 4961 PWs) bands (ev): -13.5088 -13.5088 -12.7514 -12.7514 -11.3203 -11.3203 -9.9553 -9.9553 -9.8538 -9.8538 -9.5916 -9.5916 -4.4485 -4.4485 -4.0480 -4.0480 -3.9482 -3.9482 -1.1625 -1.1625 -0.8265 -0.8265 -0.7866 -0.7866 0.1810 0.1810 0.9146 0.9146 1.4120 1.4120 1.5257 1.5257 2.4147 2.4147 2.7436 2.7436 3.1722 3.1722 3.3857 3.3857 3.7091 3.7091 3.8208 3.8208 3.9586 3.9586 3.9646 3.9646 7.2422 7.2422 9.2638 9.2638 10.0987 10.0987 10.3586 10.3586 12.1375 12.1375 k = 0.0000 0.0000 0.0000 ( 4961 PWs) bands (ev): -13.5088 -13.5088 -12.7514 -12.7514 -11.3203 -11.3203 -9.9553 -9.9553 -9.8538 -9.8538 -9.5916 -9.5916 -4.4485 -4.4485 -4.0480 -4.0480 -3.9482 -3.9482 -1.1625 -1.1625 -0.8265 -0.8265 -0.7866 -0.7866 0.1810 0.1810 0.9146 0.9146 1.4120 1.4120 1.5257 1.5257 2.4147 2.4147 2.7436 2.7436 3.1722 3.1722 3.3857 3.3857 3.7091 3.7091 3.8208 3.8208 3.9586 3.9586 3.9646 3.9646 7.2422 7.2422 9.2638 9.2638 10.0987 10.0987 10.3586 10.3586 12.1375 12.1375 k =-0.0147 0.0091 0.0000 ( 4973 PWs) bands (ev): -13.5081 -13.5080 -12.7515 -12.7514 -11.3220 -11.3219 -9.9553 -9.9550 -9.8541 -9.8535 -9.5922 -9.5909 -4.4503 -4.4498 -4.0462 -4.0456 -3.9464 -3.9450 -1.1638 -1.1621 -0.8257 -0.8248 -0.7879 -0.7861 0.1799 0.1804 0.9090 0.9124 1.4134 1.4137 1.5259 1.5273 2.4149 2.4163 2.7412 2.7425 3.1740 3.1740 3.3858 3.3859 3.7088 3.7089 3.8156 3.8171 3.9575 3.9576 3.9649 3.9658 7.2464 7.2467 9.2619 9.2657 10.1000 10.1005 10.3591 10.3622 12.1192 12.1343 k =-0.0294 0.0181 0.0000 ( 4977 PWs) bands (ev): -13.5057 -13.5057 -12.7517 -12.7514 -11.3271 -11.3269 -9.9552 -9.9546 -9.8545 -9.8532 -9.5925 -9.5900 -4.4550 -4.4541 -4.0403 -4.0391 -3.9397 -3.9371 -1.1658 -1.1624 -0.8225 -0.8208 -0.7899 -0.7864 0.1772 0.1783 0.8958 0.9026 1.4178 1.4184 1.5280 1.5307 2.4168 2.4196 2.7355 2.7381 3.1791 3.1792 3.3864 3.3866 3.7080 3.7082 3.8021 3.8048 3.9542 3.9545 3.9667 3.9683 7.2592 7.2598 9.2599 9.2676 10.1043 10.1055 10.3638 10.3698 12.0856 12.1096 k =-0.0441 0.0272 0.0000 ( 4975 PWs) bands (ev): -13.5018 -13.5018 -12.7520 -12.7516 -11.3355 -11.3353 -9.9549 -9.9540 -9.8549 -9.8530 -9.5927 -9.5890 -4.4624 -4.4612 -4.0304 -4.0285 -3.9284 -3.9246 -1.1685 -1.1635 -0.8176 -0.8154 -0.7916 -0.7866 0.1730 0.1746 0.8755 0.8855 1.4252 1.4260 1.5318 1.5359 2.4204 2.4244 2.7262 2.7301 3.1877 3.1878 3.3873 3.3877 3.7066 3.7070 3.7809 3.7845 3.9488 3.9492 3.9699 3.9720 7.2804 7.2813 9.2582 9.2695 10.1119 10.1135 10.3723 10.3811 12.0423 12.0700 k =-0.0588 0.0363 0.0000 ( 4977 PWs) bands (ev): -13.4964 -13.4963 -12.7523 -12.7518 -11.3472 -11.3469 -9.9544 -9.9533 -9.8553 -9.8527 -9.5927 -9.5878 -4.4720 -4.4705 -4.0163 -4.0139 -3.9129 -3.9080 -1.1718 -1.1652 -0.8132 -0.8123 -0.7894 -0.7847 0.1672 0.1694 0.8484 0.8616 1.4352 1.4362 1.5374 1.5428 2.4252 2.4302 2.7134 2.7186 3.1996 3.1997 3.3886 3.3892 3.7044 3.7053 3.7531 3.7572 3.9413 3.9419 3.9740 3.9764 7.3094 7.3106 9.2567 9.2715 10.1227 10.1247 10.3844 10.3957 11.9923 12.0207 k =-0.0735 0.0454 0.0000 ( 4977 PWs) bands (ev): -13.4894 -13.4893 -12.7528 -12.7521 -11.3620 -11.3616 -9.9538 -9.9524 -9.8556 -9.8525 -9.5926 -9.5865 -4.4833 -4.4817 -3.9984 -3.9953 -3.8938 -3.8879 -1.1758 -1.1677 -0.8148 -0.8123 -0.7799 -0.7776 0.1600 0.1626 0.8155 0.8315 1.4479 1.4490 1.5447 1.5514 2.4308 2.4366 2.6969 2.7034 3.2144 3.2146 3.3903 3.3911 3.6992 3.7025 3.7221 3.7243 3.9319 3.9327 3.9788 3.9815 7.3458 7.3472 9.2556 9.2737 10.1369 10.1391 10.3997 10.4131 11.9374 11.9653 k =-0.0882 0.0544 0.0000 ( 4975 PWs) bands (ev): -13.4809 -13.4808 -12.7533 -12.7525 -11.3799 -11.3795 -9.9530 -9.9514 -9.8558 -9.8521 -9.5924 -9.5853 -4.4959 -4.4942 -3.9766 -3.9729 -3.8715 -3.8647 -1.1802 -1.1708 -0.8211 -0.8157 -0.7651 -0.7646 0.1513 0.1544 0.7772 0.7960 1.4629 1.4641 1.5537 1.5615 2.4368 2.4431 2.6766 2.6844 3.2320 3.2324 3.3923 3.3933 3.6734 3.6816 3.7041 3.7061 3.9207 3.9217 3.9844 3.9871 7.3888 7.3904 9.2552 9.2763 10.1544 10.1567 10.4174 10.4328 11.8790 11.9055 k =-0.1029 0.0635 0.0000 ( 4975 PWs) bands (ev): -13.4708 -13.4707 -12.7538 -12.7529 -11.4008 -11.4003 -9.9522 -9.9504 -9.8560 -9.8517 -9.5921 -9.5840 -4.5094 -4.5077 -3.9512 -3.9469 -3.8466 -3.8390 -1.1851 -1.1744 -0.8294 -0.8218 -0.7472 -0.7467 0.1412 0.1447 0.7344 0.7557 1.4801 1.4812 1.5641 1.5731 2.4427 2.4493 2.6523 2.6613 3.2519 3.2525 3.3946 3.3959 3.6313 3.6390 3.7011 3.7024 3.9081 3.9093 3.9905 3.9932 7.4376 7.4395 9.2557 9.2795 10.1753 10.1776 10.4372 10.4540 11.8180 11.8429 k =-0.1176 0.0726 0.0000 ( 4975 PWs) bands (ev): -13.4593 -13.4591 -12.7545 -12.7534 -11.4244 -11.4238 -9.9513 -9.9493 -9.8559 -9.8512 -9.5919 -9.5828 -4.5233 -4.5217 -3.9222 -3.9173 -3.8193 -3.8110 -1.1903 -1.1784 -0.8390 -0.8296 -0.7265 -0.7254 0.1298 0.1336 0.6877 0.7113 1.4995 1.5003 1.5760 1.5860 2.4481 2.4549 2.6238 2.6341 3.2735 3.2743 3.3972 3.3989 3.5845 3.5921 3.6992 3.7001 3.8944 3.8957 3.9971 3.9998 7.4916 7.4936 9.2571 9.2834 10.1994 10.2016 10.4582 10.4763 11.7554 11.7784 k =-0.1324 0.0817 0.0000 ( 4987 PWs) bands (ev): -13.4462 -13.4460 -12.7551 -12.7540 -11.4506 -11.4500 -9.9504 -9.9482 -9.8556 -9.8504 -9.5918 -9.5818 -4.5374 -4.5358 -3.8899 -3.8844 -3.7903 -3.7813 -1.1958 -1.1827 -0.8497 -0.8387 -0.7029 -0.7015 0.1171 0.1212 0.6377 0.6634 1.5208 1.5212 1.5892 1.6000 2.4529 2.4596 2.5911 2.6027 3.2959 3.2970 3.3997 3.4021 3.5353 3.5426 3.6977 3.6985 3.8801 3.8814 4.0042 4.0069 7.5498 7.5520 9.2597 9.2882 10.2266 10.2287 10.4801 10.4990 11.6918 11.7129 k =-0.1471 0.0907 0.0000 ( 4991 PWs) bands (ev): -13.4317 -13.4315 -12.7559 -12.7547 -11.4793 -11.4787 -9.9495 -9.9471 -9.8551 -9.8494 -9.5919 -9.5810 -4.5513 -4.5499 -3.8544 -3.8484 -3.7596 -3.7502 -1.2014 -1.1872 -0.8612 -0.8489 -0.6767 -0.6751 0.1032 0.1076 0.5850 0.6127 1.5436 1.5439 1.6037 1.6151 2.4567 2.4631 2.5543 2.5670 3.3183 3.3195 3.4017 3.4055 3.4855 3.4915 3.6968 3.6974 3.8658 3.8672 4.0118 4.0145 7.6116 7.6140 9.2637 9.2941 10.2567 10.2584 10.5022 10.5218 11.6280 11.6473 k =-0.1618 0.0998 0.0000 ( 4989 PWs) bands (ev): -13.4157 -13.4155 -12.7567 -12.7554 -11.5103 -11.5097 -9.9485 -9.9461 -9.8543 -9.8481 -9.5921 -9.5805 -4.5650 -4.5637 -3.8160 -3.8094 -3.7277 -3.7178 -1.2070 -1.1918 -0.8735 -0.8599 -0.6481 -0.6465 0.0882 0.0928 0.5302 0.5595 1.5671 1.5686 1.6196 1.6311 2.4594 2.4649 2.5136 2.5271 3.3394 3.3407 3.3993 3.4083 3.4397 3.4405 3.6960 3.6964 3.8528 3.8542 4.0198 4.0224 7.6763 7.6788 9.2691 9.3012 10.2892 10.2905 10.5243 10.5442 11.5644 11.5820 k =-0.1765 0.1089 0.0000 ( 4985 PWs) bands (ev): -13.3983 -13.3981 -12.7575 -12.7561 -11.5434 -11.5427 -9.9477 -9.9452 -9.8531 -9.8466 -9.5927 -9.5803 -4.5782 -4.5771 -3.7749 -3.7679 -3.6948 -3.6845 -1.2125 -1.1964 -0.8863 -0.8717 -0.6173 -0.6157 0.0720 0.0768 0.4737 0.5046 1.5911 1.5947 1.6371 1.6478 2.4590 2.4608 2.4754 2.4834 3.3560 3.3583 3.3737 3.3849 3.4159 3.4206 3.6947 3.6949 3.8426 3.8441 4.0281 4.0307 7.7431 7.7457 9.2762 9.3097 10.3236 10.3241 10.5463 10.5661 11.5016 11.5176 k =-0.1912 0.1180 0.0000 ( 4985 PWs) bands (ev): -13.3795 -13.3793 -12.7584 -12.7569 -11.5783 -11.5777 -9.9468 -9.9443 -9.8516 -9.8446 -9.5935 -9.5805 -4.5908 -4.5898 -3.7315 -3.7240 -3.6612 -3.6506 -1.2178 -1.2008 -0.8996 -0.8840 -0.5846 -0.5831 0.0547 0.0598 0.4160 0.4482 1.6146 1.6219 1.6567 1.6653 2.4162 2.4351 2.4620 2.4693 3.3199 3.3341 3.3738 3.3775 3.4192 3.4210 3.6914 3.6915 3.8376 3.8391 4.0367 4.0393 7.8115 7.8142 9.2850 9.3197 10.3583 10.3589 10.5685 10.5877 11.4400 11.4546 k =-0.2059 0.1270 0.0000 ( 4975 PWs) bands (ev): -13.3594 -13.3592 -12.7593 -12.7578 -11.6150 -11.6144 -9.9461 -9.9435 -9.8497 -9.8423 -9.5947 -9.5811 -4.6028 -4.6019 -3.6859 -3.6780 -3.6269 -3.6161 -1.2228 -1.2050 -0.9132 -0.8966 -0.5501 -0.5488 0.0365 0.0418 0.3575 0.3909 1.6364 1.6493 1.6793 1.6837 2.3645 2.3845 2.4613 2.4679 3.2705 3.2834 3.3850 3.3884 3.4235 3.4244 3.6843 3.6845 3.8400 3.8414 4.0455 4.0480 7.8808 7.8836 9.2955 9.3313 10.3914 10.3937 10.5918 10.6098 11.3800 11.3933 k =-0.2206 0.1361 0.0000 ( 4977 PWs) bands (ev): -13.3379 -13.3377 -12.7602 -12.7587 -11.6533 -11.6527 -9.9454 -9.9428 -9.8473 -9.8395 -9.5963 -9.5822 -4.6140 -4.6133 -3.6386 -3.6304 -3.5922 -3.5814 -1.2274 -1.2088 -0.9269 -0.9096 -0.5141 -0.5130 0.0173 0.0228 0.2987 0.3329 1.6554 1.6753 1.7043 1.7053 2.3098 2.3314 2.4598 2.4659 3.2212 3.2337 3.3919 3.3951 3.4280 3.4284 3.6727 3.6730 3.8508 3.8521 4.0544 4.0569 7.9505 7.9533 9.3080 9.3446 10.4212 10.4258 10.6178 10.6338 11.3219 11.3341 k =-0.2353 0.1452 0.0000 ( 4981 PWs) bands (ev): -13.3152 -13.3150 -12.7611 -12.7596 -11.6928 -11.6923 -9.9448 -9.9423 -9.8445 -9.8363 -9.5983 -9.5838 -4.6244 -4.6238 -3.5898 -3.5816 -3.5572 -3.5465 -1.2314 -1.2121 -0.9406 -0.9226 -0.4767 -0.4760 -0.0028 0.0030 0.2399 0.2748 1.6713 1.6970 1.7291 1.7343 2.2537 2.2769 2.4575 2.4631 3.1729 3.1851 3.3944 3.3975 3.4325 3.4328 3.6571 3.6575 3.8693 3.8706 4.0634 4.0658 8.0201 8.0230 9.3224 9.3597 10.4448 10.4527 10.6487 10.6619 11.2660 11.2773 k =-0.2500 0.1543 0.0000 ( 4981 PWs) bands (ev): -13.2913 -13.2911 -12.7620 -12.7605 -11.7335 -11.7330 -9.9443 -9.9418 -9.8412 -9.8326 -9.6008 -9.5859 -4.6340 -4.6335 -3.5401 -3.5329 -3.5210 -3.5117 -1.2347 -1.2148 -0.9542 -0.9357 -0.4384 -0.4380 -0.0237 -0.0177 0.1814 0.2168 1.6840 1.7133 1.7582 1.7653 2.1975 2.2224 2.4544 2.4597 3.1258 3.1378 3.3930 3.3959 3.4370 3.4372 3.6385 3.6390 3.8939 3.8950 4.0723 4.0746 8.0891 8.0921 9.3388 9.3766 10.4603 10.4718 10.6860 10.6960 11.2125 11.2229 k =-0.2647 0.1633 0.0000 ( 4973 PWs) bands (ev): -13.2663 -13.2660 -12.7629 -12.7614 -11.7751 -11.7746 -9.9439 -9.9415 -9.8374 -9.8285 -9.6039 -9.5886 -4.6428 -4.6424 -3.4914 -3.4899 -3.4773 -3.4769 -1.2373 -1.2168 -0.9675 -0.9486 -0.3994 -0.3993 -0.0455 -0.0390 0.1237 0.1593 1.6929 1.7245 1.7898 1.7978 2.1433 2.1696 2.4505 2.4556 3.0799 3.0919 3.3881 3.3909 3.4414 3.4416 3.6180 3.6186 3.9227 3.9238 4.0811 4.0833 8.1572 8.1601 9.3572 9.3954 10.4670 10.4818 10.7299 10.7371 11.1616 11.1714 k =-0.2794 0.1724 0.0000 ( 4977 PWs) bands (ev): -13.2401 -13.2399 -12.7639 -12.7624 -11.8174 -11.8170 -9.9436 -9.9413 -9.8332 -9.8239 -9.6074 -9.5919 -4.6507 -4.6505 -3.4563 -3.4454 -3.4366 -3.4273 -1.2389 -1.2179 -0.9803 -0.9611 -0.3605 -0.3599 -0.0680 -0.0609 0.0672 0.1027 1.6968 1.7297 1.8226 1.8312 2.0936 2.1207 2.4461 2.4509 3.0354 3.0473 3.3805 3.3832 3.4458 3.4460 3.5965 3.5971 3.9542 3.9553 4.0897 4.0919 8.2238 8.2268 9.3777 9.4163 10.4653 10.4828 10.7797 10.7846 11.1134 11.1227 k =-0.2941 0.1815 0.0000 ( 4977 PWs) bands (ev): -13.2131 -13.2128 -12.7648 -12.7633 -11.8603 -11.8599 -9.9434 -9.9411 -9.8284 -9.8188 -9.6114 -9.5957 -4.6579 -4.6578 -3.4227 -3.4113 -3.3867 -3.3766 -1.2395 -1.2181 -0.9925 -0.9733 -0.3220 -0.3205 -0.0911 -0.0829 0.0122 0.0471 1.6938 1.7267 1.8557 1.8651 2.0520 2.0783 2.4412 2.4458 2.9922 3.0039 3.3706 3.3731 3.4502 3.4503 3.5745 3.5751 3.9873 3.9884 4.0981 4.1002 8.2886 8.2916 9.4004 9.4391 10.4563 10.4759 10.8340 10.8374 11.0681 11.0770 k =-0.3088 0.1906 0.0000 ( 4979 PWs) bands (ev): -13.1851 -13.1848 -12.7656 -12.7642 -11.9034 -11.9030 -9.9432 -9.9411 -9.8232 -9.8133 -9.6159 -9.6001 -4.6643 -4.6642 -3.3901 -3.3789 -3.3365 -3.3263 -1.2391 -1.2173 -1.0040 -0.9849 -0.2846 -0.2821 -0.1144 -0.1047 -0.0408 -0.0069 1.6822 1.7131 1.8884 1.8990 2.0221 2.0451 2.4358 2.4402 2.9503 2.9618 3.3590 3.3614 3.4544 3.4546 3.5525 3.5531 4.0209 4.0219 4.1062 4.1081 8.3513 8.3543 9.4251 9.4640 10.4408 10.4621 10.8918 10.8939 11.0259 11.0344 k =-0.3235 0.1996 0.0000 ( 4979 PWs) bands (ev): -13.1564 -13.1561 -12.7665 -12.7651 -11.9465 -11.9462 -9.9431 -9.9411 -9.8176 -9.8073 -9.6209 -9.6050 -4.6699 -4.6699 -3.3586 -3.3478 -3.2872 -3.2770 -1.2375 -1.2155 -1.0147 -0.9959 -0.2503 -0.2462 -0.1370 -0.1246 -0.0909 -0.0590 1.6612 1.6878 1.9193 1.9323 2.0065 2.0230 2.4300 2.4343 2.9097 2.9210 3.3462 3.3485 3.4585 3.4586 3.5308 3.5315 4.0543 4.0552 4.1139 4.1157 8.4114 8.4143 9.4520 9.4909 10.4196 10.4424 10.9515 10.9517 10.9873 10.9966 k =-0.3382 0.2087 0.0000 ( 4979 PWs) bands (ev): -13.1271 -13.1269 -12.7672 -12.7660 -11.9895 -11.9892 -9.9431 -9.9412 -9.8115 -9.8008 -9.6264 -9.6105 -4.6749 -4.6749 -3.3284 -3.3181 -3.2393 -3.2293 -1.2347 -1.2127 -1.0243 -1.0061 -0.2243 -0.2193 -0.1544 -0.1381 -0.1360 -0.1083 1.6316 1.6529 1.9462 1.9633 2.0062 2.0132 2.4239 2.4281 2.8706 2.8815 3.3326 3.3347 3.4624 3.4625 3.5098 3.5104 4.0867 4.0876 4.1213 4.1229 8.4686 8.4715 9.4810 9.5199 10.3934 10.4175 10.9491 10.9549 11.0156 11.0185 k =-0.3529 0.2178 0.0000 ( 4979 PWs) bands (ev): -13.0975 -13.0972 -12.7680 -12.7668 -12.0319 -12.0317 -9.9431 -9.9414 -9.8050 -9.7940 -9.6323 -9.6164 -4.6793 -4.6792 -3.2997 -3.2900 -3.1934 -3.1836 -1.2308 -1.2089 -1.0329 -1.0154 -0.2219 -0.2181 -0.1795 -0.1579 -0.1427 -0.1304 1.5959 1.6120 1.9658 1.9854 2.0200 2.0207 2.4175 2.4216 2.8331 2.8436 3.3186 3.3206 3.4659 3.4662 3.4896 3.4904 4.1175 4.1176 4.1290 4.1298 8.5226 8.5254 9.5122 9.5509 10.3629 10.3881 10.9161 10.9223 11.0790 11.0807 k =-0.3676 0.2269 0.0000 ( 4983 PWs) bands (ev): -13.0677 -13.0674 -12.7687 -12.7676 -12.0735 -12.0733 -9.9432 -9.9416 -9.7981 -9.7869 -9.6387 -9.6229 -4.6830 -4.6829 -3.2728 -3.2637 -3.1498 -3.1404 -1.2257 -1.2043 -1.0403 -1.0239 -0.2503 -0.2323 -0.2111 -0.2004 -0.1155 -0.1084 1.5570 1.5687 1.9799 1.9953 2.0442 2.0452 2.4108 2.4148 2.7974 2.8075 3.3046 3.3064 3.4672 3.4690 3.4712 3.4734 4.1328 4.1349 4.1477 4.1492 8.5729 8.5756 9.5454 9.5840 10.3285 10.3548 10.8858 10.8919 11.1432 11.1445 k =-0.3824 0.2359 0.0000 ( 4971 PWs) bands (ev): -13.0381 -13.0379 -12.7693 -12.7683 -12.1139 -12.1138 -9.9432 -9.9418 -9.7909 -9.7795 -9.6453 -9.6297 -4.6861 -4.6860 -3.2478 -3.2394 -3.1092 -3.1003 -1.2197 -1.1989 -1.0465 -1.0314 -0.2850 -0.2574 -0.2382 -0.2368 -0.0846 -0.0801 1.5174 1.5257 1.9922 2.0028 2.0731 2.0736 2.4039 2.4078 2.7639 2.7733 3.2908 3.2924 3.4527 3.4527 3.4729 3.4734 4.1390 4.1407 4.1745 4.1757 8.6193 8.6219 9.5807 9.6190 10.2908 10.3182 10.8586 10.8643 11.2078 11.2089 k =-0.3971 0.2450 0.0000 ( 4963 PWs) bands (ev): -13.0091 -13.0089 -12.7699 -12.7690 -12.1526 -12.1525 -9.9433 -9.9421 -9.7834 -9.7718 -9.6523 -9.6370 -4.6888 -4.6887 -3.2251 -3.2175 -3.0719 -3.0637 -1.2129 -1.1930 -1.0515 -1.0379 -0.3189 -0.2900 -0.2643 -0.2631 -0.0548 -0.0517 1.4792 1.4849 2.0040 2.0110 2.1015 2.1029 2.3966 2.4004 2.7327 2.7415 3.2777 3.2791 3.4365 3.4366 3.4758 3.4760 4.1442 4.1456 4.1990 4.2000 8.6614 8.6637 9.6180 9.6560 10.2503 10.2787 10.8345 10.8397 11.2720 11.2729 k =-0.4118 0.2541 0.0000 ( 4957 PWs) bands (ev): -12.9812 -12.9810 -12.7703 -12.7696 -12.1890 -12.1889 -9.9434 -9.9423 -9.7757 -9.7641 -9.6594 -9.6445 -4.6909 -4.6908 -3.2047 -3.1980 -3.0384 -3.0311 -1.2056 -1.1870 -1.0553 -1.0435 -0.3497 -0.3230 -0.2873 -0.2861 -0.0273 -0.0251 1.4437 1.4476 2.0155 2.0199 2.1290 2.1309 2.3891 2.3929 2.7044 2.7124 3.2654 3.2666 3.4220 3.4222 3.4783 3.4785 4.1487 4.1499 4.2207 4.2216 8.6988 8.7009 9.6571 9.6947 10.2076 10.2369 10.8136 10.8182 11.3353 11.3362 k =-0.4265 0.2632 0.0000 ( 4964 PWs) bands (ev): -12.9550 -12.9548 -12.7708 -12.7701 -12.2225 -12.2224 -9.9435 -9.9426 -9.7680 -9.7564 -9.6665 -9.6522 -4.6927 -4.6926 -3.1869 -3.1813 -3.0092 -3.0028 -1.1980 -1.1813 -1.0579 -1.0480 -0.3763 -0.3530 -0.3079 -0.3070 -0.0030 -0.0014 1.4122 1.4147 2.0261 2.0287 2.1546 2.1569 2.3815 2.3851 2.6794 2.6864 3.2544 3.2554 3.4095 3.4096 3.4805 3.4806 4.1525 4.1536 4.2395 4.2403 8.7311 8.7330 9.6980 9.7351 10.1630 10.1932 10.7957 10.7997 11.3972 11.3981 k =-0.4412 0.2722 0.0000 ( 4962 PWs) bands (ev): -12.9314 -12.9312 -12.7711 -12.7705 -12.2521 -12.2521 -9.9435 -9.9428 -9.7602 -9.7490 -9.6733 -9.6599 -4.6941 -4.6940 -3.1720 -3.1674 -2.9845 -2.9793 -1.1906 -1.1763 -1.0595 -1.0517 -0.3982 -0.3789 -0.3259 -0.3254 0.0177 0.0188 1.3854 1.3869 2.0355 2.0370 2.1777 2.1802 2.3739 2.3772 2.6582 2.6640 3.2449 3.2457 3.3990 3.3991 3.4823 3.4824 4.1557 4.1565 4.2551 4.2558 8.7582 8.7597 9.7405 9.7770 10.1172 10.1482 10.7811 10.7844 11.4570 11.4580 k =-0.4559 0.2813 0.0000 ( 4962 PWs) bands (ev): -12.9113 -12.9111 -12.7713 -12.7709 -12.2769 -12.2769 -9.9436 -9.9430 -9.7526 -9.7424 -9.6795 -9.6676 -4.6951 -4.6950 -3.1601 -3.1565 -2.9649 -2.9608 -1.1838 -1.1723 -1.0603 -1.0545 -0.4150 -0.4001 -0.3408 -0.3406 0.0343 0.0350 1.3639 1.3648 2.0434 2.0440 2.1977 2.2000 2.3667 2.3696 2.6412 2.6457 3.2372 3.2378 3.3907 3.3907 3.4838 3.4838 4.1582 4.1588 4.2674 4.2679 8.7796 8.7807 9.7842 9.8200 10.0707 10.1024 10.7698 10.7723 11.5140 11.5150 k =-0.4706 0.2904 0.0000 ( 4964 PWs) bands (ev): -12.8958 -12.8957 -12.7715 -12.7712 -12.2958 -12.2958 -9.9436 -9.9432 -9.7456 -9.7372 -9.6842 -9.6747 -4.6958 -4.6958 -3.1513 -3.1489 -2.9504 -2.9477 -1.1779 -1.1699 -1.0604 -1.0566 -0.4264 -0.4163 -0.3520 -0.3519 0.0464 0.0469 1.3483 1.3488 2.0493 2.0495 2.2136 2.2154 2.3605 2.3627 2.6289 2.6320 3.2315 3.2319 3.3847 3.3847 3.4848 3.4848 4.1600 4.1604 4.2763 4.2767 8.7951 8.7959 9.8289 9.8636 10.0243 10.0562 10.7618 10.7635 11.5668 11.5677 k =-0.4853 0.2995 0.0000 ( 4964 PWs) bands (ev): -12.8859 -12.8859 -12.7715 -12.7714 -12.3076 -12.3076 -9.9435 -9.9434 -9.7396 -9.7347 -9.6863 -9.6809 -4.6962 -4.6962 -3.1457 -3.1445 -2.9414 -2.9400 -1.1734 -1.1692 -1.0601 -1.0582 -0.4323 -0.4271 -0.3590 -0.3590 0.0538 0.0540 1.3388 1.3390 2.0529 2.0530 2.2242 2.2253 2.3564 2.3576 2.6217 2.6233 3.2280 3.2282 3.3810 3.3811 3.4854 3.4855 4.1612 4.1614 4.2817 4.2819 8.8046 8.8050 9.8736 9.9047 9.9811 10.0108 10.7572 10.7580 11.6117 11.6126 k =-0.5000 0.3085 0.0000 ( 4960 PWs) bands (ev): -12.8826 -12.8826 -12.7715 -12.7715 -12.3117 -12.3117 -9.9435 -9.9435 -9.7356 -9.7356 -9.6851 -9.6851 -4.6963 -4.6963 -3.1434 -3.1434 -2.9379 -2.9379 -1.1704 -1.1704 -1.0593 -1.0593 -0.4325 -0.4325 -0.3614 -0.3614 0.0564 0.0564 1.3357 1.3357 2.0542 2.0542 2.2283 2.2283 2.3553 2.3553 2.6198 2.6198 3.2269 3.2269 3.3798 3.3798 3.4857 3.4857 4.1616 4.1616 4.2836 4.2836 8.8079 8.8079 9.9130 9.9130 9.9717 9.9717 10.7559 10.7559 11.6342 11.6342 k =-0.5000 0.3085 0.0000 ( 4960 PWs) bands (ev): -12.8826 -12.8826 -12.7715 -12.7715 -12.3117 -12.3117 -9.9435 -9.9435 -9.7356 -9.7356 -9.6851 -9.6851 -4.6963 -4.6963 -3.1434 -3.1434 -2.9379 -2.9379 -1.1704 -1.1704 -1.0593 -1.0593 -0.4325 -0.4325 -0.3614 -0.3614 0.0564 0.0564 1.3357 1.3357 2.0542 2.0542 2.2283 2.2283 2.3553 2.3553 2.6198 2.6198 3.2269 3.2269 3.3798 3.3798 3.4857 3.4857 4.1616 4.1616 4.2836 4.2836 8.8079 8.8079 9.9130 9.9130 9.9717 9.9717 10.7559 10.7559 11.6342 11.6342 k =-0.4909 0.3233-0.0000 ( 4964 PWs) bands (ev): -12.8829 -12.8828 -12.7716 -12.7716 -12.3107 -12.3106 -9.9559 -9.9482 -9.7331 -9.7237 -9.6849 -9.6839 -4.6960 -4.6958 -3.1592 -3.1572 -2.9217 -2.9178 -1.2155 -1.1615 -1.0672 -1.0139 -0.4462 -0.4386 -0.3635 -0.3625 0.0629 0.0673 1.3367 1.3370 2.0481 2.0541 2.2239 2.2325 2.3556 2.3561 2.6173 2.6186 3.2277 3.2300 3.3781 3.3793 3.4876 3.4877 4.1586 4.1590 4.2834 4.2845 8.8099 8.8104 9.9117 9.9119 9.9721 9.9740 10.7549 10.7559 11.6266 11.6363 k =-0.4818 0.3381-0.0000 ( 4960 PWs) bands (ev): -12.8839 -12.8837 -12.7719 -12.7718 -12.3077 -12.3075 -9.9813 -9.9686 -9.7178 -9.7019 -9.6830 -9.6809 -4.6949 -4.6945 -3.1939 -3.1914 -2.8784 -2.8721 -1.2668 -1.2000 -1.0263 -0.9609 -0.4770 -0.4629 -0.3694 -0.3671 0.0854 0.0931 1.3402 1.3408 2.0364 2.0477 2.2195 2.2361 2.3571 2.3581 2.6111 2.6137 3.2322 3.2367 3.3744 3.3767 3.4932 3.4935 4.1502 4.1509 4.2836 4.2856 8.8166 8.8175 9.9078 9.9087 9.9756 9.9789 10.7529 10.7549 11.6141 11.6328 k =-0.4727 0.3528-0.0000 ( 4960 PWs) bands (ev): -12.8856 -12.8853 -12.7724 -12.7722 -12.3026 -12.3024 -10.0145 -9.9994 -9.6966 -9.6822 -9.6778 -9.6692 -4.6930 -4.6924 -3.2352 -3.2329 -2.8212 -2.8131 -1.3187 -1.2488 -0.9738 -0.9058 -0.5201 -0.5011 -0.3793 -0.3757 0.1198 0.1296 1.3460 1.3470 2.0196 2.0351 2.2151 2.2385 2.3597 2.3612 2.6017 2.6055 3.2399 3.2466 3.3692 3.3723 3.5021 3.5028 4.1374 4.1382 4.2836 4.2864 8.8279 8.8293 9.9009 9.9031 9.9827 9.9865 10.7498 10.7527 11.5972 11.6241 k =-0.4636 0.3676-0.0000 ( 4964 PWs) bands (ev): -12.8880 -12.8876 -12.7729 -12.7728 -12.2956 -12.2953 -10.0524 -10.0363 -9.6829 -9.6755 -9.6604 -9.6411 -4.6903 -4.6895 -3.2775 -3.2758 -2.7561 -2.7467 -1.3699 -1.2987 -0.9187 -0.8501 -0.5715 -0.5485 -0.3932 -0.3882 0.1619 0.1726 1.3543 1.3556 1.9982 2.0166 2.2105 2.2394 2.3634 2.3654 2.5896 2.5944 3.2505 3.2591 3.3630 3.3668 3.5139 3.5152 4.1209 4.1217 4.2827 4.2860 8.8436 8.8455 9.8907 9.8949 9.9935 9.9972 10.7457 10.7494 11.5766 11.6107 k =-0.4545 0.3823-0.0000 ( 4970 PWs) bands (ev): -12.8910 -12.8906 -12.7736 -12.7734 -12.2865 -12.2861 -10.0930 -10.0766 -9.6763 -9.6694 -9.6336 -9.6110 -4.6868 -4.6859 -3.3188 -3.3177 -2.6856 -2.6749 -1.4196 -1.3478 -0.8632 -0.7943 -0.6281 -0.6018 -0.4110 -0.4047 0.2083 0.2193 1.3649 1.3666 1.9725 1.9928 2.2050 2.2383 2.3681 2.3707 2.5752 2.5809 3.2630 3.2735 3.3561 3.3605 3.5284 3.5303 4.1018 4.1023 4.2803 4.2840 8.8638 8.8662 9.8776 9.8838 10.0081 10.0113 10.7405 10.7449 11.5532 11.5931 k =-0.4454 0.3971-0.0000 ( 4970 PWs) bands (ev): -12.8949 -12.8943 -12.7743 -12.7741 -12.2754 -12.2750 -10.1353 -10.1191 -9.6700 -9.6625 -9.6055 -9.5811 -4.6826 -4.6816 -3.3582 -3.3577 -2.6109 -2.5990 -1.4676 -1.3953 -0.8086 -0.7403 -0.6864 -0.6579 -0.4327 -0.4250 0.2566 0.2675 1.3778 1.3799 1.9430 1.9643 2.1984 2.2351 2.3738 2.3770 2.5591 2.5658 3.2769 3.2890 3.3490 3.3538 3.5454 3.5480 4.0806 4.0807 4.2761 4.2800 8.8883 8.8912 9.8614 9.8698 10.0266 10.0289 10.7342 10.7392 11.5276 11.5723 k =-0.4363 0.4118-0.0000 ( 4970 PWs) bands (ev): -12.8995 -12.8989 -12.7751 -12.7748 -12.2623 -12.2618 -10.1788 -10.1629 -9.6630 -9.6545 -9.5780 -9.5524 -4.6778 -4.6766 -3.3954 -3.3953 -2.5326 -2.5195 -1.5133 -1.4408 -0.7636 -0.7546 -0.7071 -0.6789 -0.4582 -0.4490 0.3053 0.3158 1.3931 1.3956 1.9099 1.9316 2.1901 2.2296 2.3804 2.3842 2.5420 2.5495 3.2910 3.3045 3.3422 3.3472 3.5648 3.5681 4.0576 4.0578 4.2698 4.2737 8.9171 8.9206 9.8423 9.8528 10.0491 10.0505 10.7266 10.7320 11.5006 11.5489 k =-0.4272 0.4266-0.0000 ( 4974 PWs) bands (ev): -12.9050 -12.9043 -12.7758 -12.7755 -12.2472 -12.2466 -10.2230 -10.2075 -9.6550 -9.6456 -9.5518 -9.5252 -4.6723 -4.6710 -3.4308 -3.4301 -2.4512 -2.4368 -1.5564 -1.4837 -0.8173 -0.7911 -0.6856 -0.6245 -0.4874 -0.4766 0.3533 0.3633 1.4107 1.4136 1.8736 1.8952 2.1800 2.2217 2.3877 2.3923 2.5244 2.5326 3.3042 3.3175 3.3378 3.3416 3.5865 3.5904 4.0335 4.0341 4.2613 4.2653 8.9501 8.9540 9.8203 9.8327 10.0757 10.0760 10.7177 10.7234 11.4726 11.5234 k =-0.4180 0.4414-0.0000 ( 4974 PWs) bands (ev): -12.9113 -12.9106 -12.7764 -12.7761 -12.2302 -12.2295 -10.2675 -10.2525 -9.6460 -9.6356 -9.5272 -9.4997 -4.6663 -4.6648 -3.4640 -3.4627 -2.3672 -2.3514 -1.5964 -1.5237 -0.8817 -0.8504 -0.6341 -0.5696 -0.5203 -0.5072 0.3997 0.4091 1.4305 1.4338 1.8344 1.8557 2.1678 2.2112 2.3956 2.4011 2.5067 2.5158 3.3130 3.3194 3.3401 3.3439 3.6104 3.6149 4.0088 4.0099 4.2508 4.2546 8.9870 8.9915 9.7955 9.8096 10.1056 10.1064 10.7073 10.7131 11.4442 11.4964 k =-0.4089 0.4561-0.0000 ( 4970 PWs) bands (ev): -12.9185 -12.9178 -12.7769 -12.7766 -12.2111 -12.2103 -10.3121 -10.2977 -9.6362 -9.6247 -9.5044 -9.4763 -4.6597 -4.6582 -3.4949 -3.4932 -2.2809 -2.2636 -1.6327 -1.5603 -0.9464 -0.9122 -0.5853 -0.5569 -0.5367 -0.5149 0.4436 0.4526 1.4524 1.4561 1.7927 1.8135 2.1534 2.1983 2.4036 2.4101 2.4898 2.4998 3.3129 3.3133 3.3469 3.3573 3.6363 3.6412 3.9839 3.9854 4.2383 4.2419 9.0277 9.0328 9.7679 9.7834 10.1395 10.1414 10.6953 10.7011 11.4155 11.4677 k =-0.3998 0.4709-0.0000 ( 4982 PWs) bands (ev): -12.9267 -12.9259 -12.7773 -12.7770 -12.1901 -12.1892 -10.3566 -10.3428 -9.6254 -9.6129 -9.4836 -9.4549 -4.6528 -4.6511 -3.5240 -3.5218 -2.1930 -2.1739 -1.6647 -1.5929 -1.0109 -0.9743 -0.5969 -0.5894 -0.5170 -0.4607 0.4846 0.4932 1.4763 1.4806 1.7489 1.7693 2.1366 2.1828 2.4109 2.4185 2.4746 2.4856 3.3058 3.3074 3.3584 3.3712 3.6640 3.6692 3.9591 3.9610 4.2239 4.2273 9.0721 9.0778 9.7376 9.7543 10.1777 10.1807 10.6816 10.6873 11.3865 11.4359 k =-0.3907 0.4856-0.0000 ( 4984 PWs) bands (ev): -12.9357 -12.9349 -12.7776 -12.7773 -12.1671 -12.1661 -10.4009 -10.3876 -9.6138 -9.6002 -9.4648 -9.4356 -4.6455 -4.6437 -3.5513 -3.5487 -2.1045 -2.0830 -1.6911 -1.6206 -1.0747 -1.0360 -0.6404 -0.6289 -0.4656 -0.4071 0.5219 0.5302 1.5021 1.5069 1.7037 1.7236 2.1175 2.1647 2.4157 2.4235 2.4643 2.4753 3.2979 3.3001 3.3708 3.3847 3.6930 3.6984 3.9348 3.9371 4.2080 4.2111 9.1199 9.1263 9.7046 9.7222 10.2204 10.2245 10.6660 10.6714 11.3569 11.3983 k =-0.3816 0.5004-0.0000 ( 4974 PWs) bands (ev): -12.9457 -12.9448 -12.7777 -12.7774 -12.1422 -12.1411 -10.4447 -10.4320 -9.6013 -9.5868 -9.4482 -9.4186 -4.6379 -4.6361 -3.5772 -3.5743 -2.0178 -1.9925 -1.7095 -1.6417 -1.1375 -1.0968 -0.6873 -0.6740 -0.4125 -0.3540 0.5549 0.5630 1.5293 1.5347 1.6581 1.6777 2.0960 2.1440 2.4154 2.4203 2.4638 2.4716 3.2899 3.2924 3.3830 3.3973 3.7232 3.7286 3.9112 3.9139 4.1908 4.1936 9.1711 9.1781 9.6690 9.6874 10.2675 10.2726 10.6483 10.6534 11.3250 11.3552 k =-0.3725 0.5151-0.0000 ( 4974 PWs) bands (ev): -12.9565 -12.9556 -12.7776 -12.7773 -12.1154 -12.1142 -10.4880 -10.4758 -9.5881 -9.5725 -9.4336 -9.4037 -4.6302 -4.6283 -3.6021 -3.5988 -1.9385 -1.9059 -1.7142 -1.6527 -1.1989 -1.1564 -0.7375 -0.7229 -0.3594 -0.3014 0.5828 0.5910 1.5556 1.5609 1.6155 1.6341 2.0721 2.1209 2.4093 2.4103 2.4716 2.4753 3.2819 3.2844 3.3946 3.4091 3.7540 3.7595 3.8886 3.8915 4.1726 4.1750 9.2253 9.2330 9.6309 9.6498 10.3190 10.3252 10.6285 10.6333 11.2877 11.3089 k =-0.3634 0.5299-0.0000 ( 4964 PWs) bands (ev): -12.9683 -12.9674 -12.7774 -12.7772 -12.0867 -12.0853 -10.5306 -10.5189 -9.5743 -9.5577 -9.4212 -9.3911 -4.6224 -4.6205 -3.6262 -3.6226 -1.8798 -1.8326 -1.6919 -1.6440 -1.2588 -1.2145 -0.7909 -0.7752 -0.3065 -0.2493 0.6050 0.6134 1.5540 1.5626 1.6083 1.6123 2.0458 2.0952 2.3985 2.4000 2.4830 2.4838 3.2740 3.2764 3.4057 3.4201 3.7853 3.7906 3.8670 3.8703 4.1536 4.1556 9.2823 9.2907 9.5903 9.6095 10.3749 10.3819 10.6066 10.6111 11.2440 11.2606 k =-0.3543 0.5446-0.0000 ( 4960 PWs) bands (ev): -12.9808 -12.9799 -12.7770 -12.7768 -12.0561 -12.0546 -10.5723 -10.5613 -9.5598 -9.5422 -9.4109 -9.3806 -4.6147 -4.6128 -3.6497 -3.6459 -1.8519 -1.7887 -1.6327 -1.5996 -1.3166 -1.2707 -0.8474 -0.8307 -0.2540 -0.1977 0.6206 0.6294 1.5131 1.5283 1.6350 1.6381 2.0171 2.0670 2.3870 2.3900 2.4948 2.4957 3.2662 3.2684 3.4160 3.4303 3.8165 3.8216 3.8468 3.8503 4.1341 4.1358 9.3420 9.3511 9.5474 9.5668 10.4347 10.4424 10.5828 10.5870 11.1961 11.2112 k =-0.3452 0.5594-0.0000 ( 4960 PWs) bands (ev): -12.9942 -12.9933 -12.7766 -12.7764 -12.0236 -12.0220 -10.6132 -10.6027 -9.5449 -9.5263 -9.4025 -9.3722 -4.6072 -4.6053 -3.6731 -3.6690 -1.8425 -1.7720 -1.5490 -1.5217 -1.3717 -1.3248 -0.9068 -0.8894 -0.2017 -0.1465 0.6287 0.6383 1.4711 1.4875 1.6682 1.6729 1.9862 2.0365 2.3765 2.3804 2.5070 2.5092 3.2587 3.2607 3.4256 3.4397 3.8277 3.8309 3.8476 3.8530 4.1145 4.1158 9.4040 9.4138 9.5023 9.5215 10.4963 10.5039 10.5592 10.5640 11.1460 11.1611 k =-0.3452 0.5594-0.0000 ( 4960 PWs) bands (ev): -12.9942 -12.9933 -12.7766 -12.7764 -12.0236 -12.0220 -10.6132 -10.6027 -9.5449 -9.5263 -9.4025 -9.3722 -4.6072 -4.6053 -3.6731 -3.6690 -1.8425 -1.7720 -1.5490 -1.5217 -1.3717 -1.3248 -0.9068 -0.8894 -0.2017 -0.1465 0.6287 0.6383 1.4711 1.4875 1.6682 1.6729 1.9862 2.0365 2.3765 2.3804 2.5070 2.5092 3.2587 3.2607 3.4256 3.4397 3.8277 3.8309 3.8476 3.8530 4.1145 4.1158 9.4040 9.4138 9.5023 9.5215 10.4963 10.5039 10.5592 10.5640 11.1460 11.1611 k =-0.3452 0.5594 0.0173 ( 4968 PWs) bands (ev): -12.9940 -12.9931 -12.7766 -12.7764 -12.0226 -12.0210 -10.6127 -10.6022 -9.5477 -9.5291 -9.4036 -9.3733 -4.6036 -4.6017 -3.6741 -3.6700 -1.8387 -1.7688 -1.5539 -1.5267 -1.3701 -1.3231 -0.9089 -0.8914 -0.1965 -0.1417 0.6293 0.6388 1.4696 1.4856 1.6686 1.6734 1.9864 2.0361 2.3698 2.3732 2.5134 2.5151 3.2581 3.2600 3.4269 3.4408 3.8272 3.8304 3.8478 3.8532 4.1138 4.1150 9.4027 9.4123 9.5005 9.5198 10.4957 10.5031 10.5504 10.5554 11.1540 11.1692 k =-0.3452 0.5594 0.0346 ( 4970 PWs) bands (ev): -12.9933 -12.9924 -12.7768 -12.7766 -12.0194 -12.0178 -10.6112 -10.6007 -9.5561 -9.5377 -9.4070 -9.3768 -4.5927 -4.5910 -3.6770 -3.6729 -1.8280 -1.7596 -1.5678 -1.5406 -1.3652 -1.3180 -0.9150 -0.8976 -0.1812 -0.1277 0.6309 0.6403 1.4651 1.4801 1.6700 1.6747 1.9868 2.0348 2.3522 2.3547 2.5294 2.5302 3.2564 3.2580 3.4305 3.4441 3.8258 3.8291 3.8486 3.8539 4.1115 4.1128 9.3990 9.4080 9.4952 9.5144 10.4908 10.4973 10.5289 10.5351 11.1762 11.1918 k =-0.3452 0.5594 0.0519 ( 4967 PWs) bands (ev): -12.9921 -12.9912 -12.7770 -12.7768 -12.0141 -12.0125 -10.6087 -10.5982 -9.5700 -9.5518 -9.4125 -9.3825 -4.5748 -4.5734 -3.6816 -3.6775 -1.8117 -1.7473 -1.5888 -1.5601 -1.3571 -1.3097 -0.9250 -0.9079 -0.1567 -0.1053 0.6335 0.6428 1.4578 1.4712 1.6722 1.6770 1.9871 2.0326 2.3282 2.3299 2.5501 2.5501 3.2536 3.2548 3.4362 3.4494 3.8235 3.8268 3.8498 3.8550 4.1078 4.1090 9.3932 9.4013 9.4863 9.5056 10.4656 10.4701 10.5150 10.5237 11.2084 11.2245 k =-0.3452 0.5594 0.0692 ( 4977 PWs) bands (ev): -12.9905 -12.9896 -12.7774 -12.7772 -12.0067 -12.0051 -10.6052 -10.5948 -9.5893 -9.5713 -9.4202 -9.3906 -4.5499 -4.5489 -3.6877 -3.6835 -1.7943 -1.7387 -1.6118 -1.5771 -1.3457 -1.2982 -0.9388 -0.9220 -0.1245 -0.0757 0.6373 0.6463 1.4479 1.4591 1.6753 1.6801 1.9872 2.0292 2.3009 2.3018 2.5720 2.5728 3.2500 3.2509 3.4437 3.4563 3.8203 3.8235 3.8514 3.8565 4.1027 4.1038 9.3861 9.3928 9.4740 9.4933 10.4189 10.4230 10.5145 10.5241 11.2464 11.2627 k =-0.3452 0.5594 0.0865 ( 4976 PWs) bands (ev): -12.9885 -12.9875 -12.7778 -12.7777 -11.9972 -11.9957 -10.6006 -10.5904 -9.6137 -9.5961 -9.4300 -9.4008 -4.5183 -4.5179 -3.6949 -3.6906 -1.7863 -1.7468 -1.6254 -1.5776 -1.3313 -1.2839 -0.9563 -0.9396 -0.0861 -0.0402 0.6421 0.6508 1.4354 1.4440 1.6792 1.6839 1.9864 2.0243 2.2717 2.2720 2.5947 2.5960 3.2458 3.2463 3.4526 3.4646 3.8162 3.8193 3.8533 3.8582 4.0961 4.0972 9.3783 9.3834 9.4583 9.4775 10.3639 10.3678 10.5181 10.5285 11.2864 11.3023 k =-0.3452 0.5594 0.1038 ( 4976 PWs) bands (ev): -12.9860 -12.9850 -12.7784 -12.7783 -11.9855 -11.9841 -10.5950 -10.5849 -9.6429 -9.6258 -9.4418 -9.4132 -4.4806 -4.4804 -3.7028 -3.6985 -1.8022 -1.7784 -1.6142 -1.5539 -1.3141 -1.2671 -0.9768 -0.9603 -0.0432 -0.0004 0.6480 0.6563 1.4206 1.4265 1.6836 1.6882 1.9844 2.0176 2.2412 2.2416 2.6175 2.6194 3.2413 3.2414 3.4626 3.4739 3.8111 3.8142 3.8553 3.8601 4.0881 4.0891 9.3707 9.3740 9.4393 9.4584 10.3055 10.3096 10.5236 10.5348 11.3254 11.3401 k =-0.3452 0.5594 0.1211 ( 4975 PWs) bands (ev): -12.9830 -12.9821 -12.7791 -12.7790 -11.9718 -11.9704 -10.5884 -10.5785 -9.6768 -9.6601 -9.4557 -9.4277 -4.4373 -4.4364 -3.7110 -3.7068 -1.8415 -1.8267 -1.5782 -1.5119 -1.2947 -1.2487 -0.9999 -0.9830 0.0030 0.0426 0.6549 0.6629 1.4038 1.4067 1.6885 1.6928 1.9806 2.0088 2.2103 2.2112 2.6402 2.6425 3.2364 3.2366 3.4732 3.4838 3.8052 3.8082 3.8574 3.8619 4.0788 4.0797 9.3642 9.3656 9.4173 9.4360 10.2466 10.2508 10.5307 10.5425 11.3607 11.3734 k =-0.3452 0.5594 0.1383 ( 4973 PWs) bands (ev): -12.9797 -12.9788 -12.7799 -12.7798 -11.9560 -11.9547 -10.5808 -10.5710 -9.7149 -9.6988 -9.4715 -9.4442 -4.3885 -4.3868 -3.7190 -3.7149 -1.8943 -1.8845 -1.5266 -1.4582 -1.2743 -1.2305 -1.0240 -1.0059 0.0510 0.0874 0.6630 0.6705 1.3851 1.3851 1.6935 1.6974 1.9747 1.9974 2.1796 2.1811 2.6627 2.6654 3.2314 3.2318 3.4842 3.4942 3.7985 3.8013 3.8593 3.8635 4.0682 4.0689 9.3591 9.3594 9.3926 9.4106 10.1889 10.1934 10.5390 10.5515 11.3894 11.4000 k =-0.3452 0.5594 0.1556 ( 4973 PWs) bands (ev): -12.9760 -12.9750 -12.7808 -12.7808 -11.9381 -11.9368 -10.5721 -10.5626 -9.7570 -9.7414 -9.4892 -9.4626 -4.3345 -4.3319 -3.7266 -3.7226 -1.9544 -1.9480 -1.4654 -1.3961 -1.2556 -1.2164 -1.0464 -1.0251 0.0998 0.1330 0.6721 0.6790 1.3619 1.3648 1.6981 1.7016 1.9661 1.9833 2.1497 2.1517 2.6849 2.6879 3.2266 3.2272 3.4954 3.5048 3.7910 3.7936 3.8608 3.8648 4.0564 4.0570 9.3546 9.3552 9.3681 9.3826 10.1338 10.1385 10.5486 10.5617 11.4092 11.4179 k =-0.3452 0.5594 0.1729 ( 4965 PWs) bands (ev): -12.9719 -12.9709 -12.7819 -12.7819 -11.9181 -11.9170 -10.5624 -10.5531 -9.8026 -9.7876 -9.5086 -9.4828 -4.2757 -4.2722 -3.7331 -3.7294 -2.0190 -2.0151 -1.3975 -1.3276 -1.2437 -1.2129 -1.0616 -1.0337 0.1485 0.1786 0.6822 0.6886 1.3372 1.3430 1.7020 1.7049 1.9546 1.9662 2.1211 2.1236 2.7069 2.7103 3.2220 3.2228 3.5065 3.5152 3.7827 3.7851 3.8618 3.8655 4.0434 4.0439 9.3321 9.3489 9.3580 9.3627 10.0823 10.0872 10.5593 10.5729 11.4184 11.4256 k =-0.3452 0.5594 0.1902 ( 4971 PWs) bands (ev): -12.9675 -12.9665 -12.7831 -12.7831 -11.8961 -11.8950 -10.5516 -10.5426 -9.8515 -9.8371 -9.5297 -9.5048 -4.2126 -4.2081 -3.7385 -3.7350 -2.0865 -2.0847 -1.3259 -1.2538 -1.2447 -1.2262 -1.0616 -1.0254 0.1962 0.2233 0.6934 0.6991 1.3113 1.3198 1.7046 1.7068 1.9400 1.9458 2.0943 2.0973 2.7288 2.7325 3.2177 3.2186 3.5174 3.5255 3.7739 3.7760 3.8621 3.8654 4.0294 4.0297 9.3012 9.3183 9.3600 9.3681 10.0350 10.0401 10.5710 10.5851 11.4159 11.4224 k =-0.3452 0.5594 0.2075 ( 4973 PWs) bands (ev): -12.9627 -12.9618 -12.7845 -12.7845 -11.8720 -11.8711 -10.5398 -10.5311 -9.9033 -9.8895 -9.5523 -9.5284 -4.1455 -4.1401 -3.7423 -3.7391 -2.1558 -2.1558 -1.2826 -1.2562 -1.2309 -1.1749 -1.0432 -1.0008 0.2425 0.2666 0.7056 0.7106 1.2843 1.2952 1.7053 1.7066 1.9219 1.9219 2.0697 2.0733 2.7508 2.7546 3.2138 3.2148 3.5278 3.5353 3.7646 3.7663 3.8614 3.8644 4.0145 4.0145 9.2688 9.2848 9.3686 9.3787 9.9921 9.9974 10.5835 10.5980 11.4017 11.4081 k =-0.3452 0.5594 0.2248 ( 4969 PWs) bands (ev): -12.9577 -12.9567 -12.7861 -12.7860 -11.8459 -11.8451 -10.5269 -10.5186 -9.9575 -9.9444 -9.5764 -9.5535 -4.0750 -4.0686 -3.7442 -3.7415 -2.2278 -2.2263 -1.3109 -1.2967 -1.1555 -1.0926 -1.0105 -0.9650 0.2867 0.3080 0.7187 0.7230 1.2562 1.2693 1.7035 1.7039 1.8946 1.9002 2.0478 2.0519 2.7727 2.7767 3.2104 3.2113 3.5376 3.5446 3.7550 3.7563 3.8597 3.8623 3.9985 3.9987 9.2363 9.2509 9.3823 9.3945 9.9538 9.9592 10.5966 10.6115 11.3764 11.3835 k =-0.3452 0.5594 0.2421 ( 4972 PWs) bands (ev): -12.9524 -12.9514 -12.7878 -12.7877 -11.8178 -11.8171 -10.5130 -10.5050 -10.0140 -10.0015 -9.6019 -9.5800 -4.0013 -3.9939 -3.7442 -3.7418 -2.3001 -2.2974 -1.3542 -1.3444 -1.0708 -1.0071 -0.9682 -0.9217 0.3285 0.3470 0.7327 0.7362 1.2270 1.2422 1.6984 1.6989 1.8639 1.8750 2.0287 2.0330 2.7949 2.7990 3.2074 3.2084 3.5468 3.5533 3.7452 3.7461 3.8567 3.8589 3.9818 3.9822 9.2046 9.2175 9.4014 9.4155 9.9199 9.9253 10.6102 10.6254 11.3414 11.3497 k =-0.3452 0.5594 0.2594 ( 4976 PWs) bands (ev): -12.9468 -12.9458 -12.7897 -12.7896 -11.7877 -11.7872 -10.4979 -10.4903 -10.0723 -10.0605 -9.6285 -9.6077 -3.9249 -3.9166 -3.7419 -3.7400 -2.3725 -2.3686 -1.4043 -1.3973 -0.9834 -0.9189 -0.9186 -0.8726 0.3675 0.3832 0.7475 0.7501 1.1968 1.2137 1.6899 1.6914 1.8299 1.8462 2.0124 2.0167 2.8173 2.8215 3.2050 3.2059 3.5553 3.5613 3.7355 3.7359 3.8524 3.8542 3.9645 3.9651 9.1747 9.1858 9.4260 9.4419 9.8899 9.8954 10.6238 10.6394 11.2981 11.3079 k =-0.3452 0.5594 0.2767 ( 4971 PWs) bands (ev): -12.9411 -12.9401 -12.7918 -12.7916 -11.7556 -11.7553 -10.4818 -10.4747 -10.1322 -10.1210 -9.6562 -9.6365 -3.8463 -3.8369 -3.7372 -3.7357 -2.4445 -2.4397 -1.4590 -1.4542 -0.8965 -0.8610 -0.8288 -0.8189 0.4033 0.4164 0.7628 0.7645 1.1656 1.1838 1.6788 1.6812 1.7929 1.8141 1.9983 2.0024 2.8401 2.8443 3.2031 3.2039 3.5630 3.5685 3.7258 3.7260 3.8467 3.8480 3.9467 3.9476 9.1475 9.1567 9.4562 9.4737 9.8634 9.8689 10.6371 10.6530 11.2483 11.2596 k =-0.3452 0.5594 0.2940 ( 4973 PWs) bands (ev): -12.9351 -12.9341 -12.7941 -12.7939 -11.7216 -11.7214 -10.4647 -10.4580 -10.1934 -10.1828 -9.6849 -9.6664 -3.7662 -3.7553 -3.7300 -3.7285 -2.5159 -2.5103 -1.5174 -1.5145 -0.8200 -0.7870 -0.7612 -0.7373 0.4358 0.4463 0.7785 0.7791 1.1333 1.1525 1.6654 1.6688 1.7533 1.7786 1.9857 1.9893 2.8632 2.8674 3.2018 3.2024 3.5698 3.5749 3.7163 3.7170 3.8396 3.8402 3.9285 3.9297 9.1240 9.1311 9.4918 9.5108 9.8397 9.8453 10.6496 10.6658 11.1934 11.2062 k =-0.3452 0.5594 0.3113 ( 4963 PWs) bands (ev): -12.9290 -12.9280 -12.7965 -12.7963 -11.6857 -11.6857 -10.4465 -10.4402 -10.2556 -10.2456 -9.7145 -9.6970 -3.7214 -3.7204 -3.6818 -3.6720 -2.5864 -2.5801 -1.5790 -1.5778 -0.7536 -0.6997 -0.6980 -0.6448 0.4646 0.4726 0.7936 0.7939 1.1004 1.1201 1.6503 1.6551 1.7117 1.7403 1.9739 1.9766 2.8866 2.8909 3.2009 3.2014 3.5758 3.5806 3.7073 3.7086 3.8310 3.8311 3.9101 3.9116 9.1049 9.1099 9.5327 9.5530 9.8180 9.8238 10.6606 10.6772 11.1352 11.1492 k =-0.3452 0.5594 0.3286 ( 4965 PWs) bands (ev): -12.9228 -12.9218 -12.7992 -12.7990 -11.6480 -11.6479 -10.4272 -10.4215 -10.3185 -10.3091 -9.7447 -9.7285 -3.7090 -3.7080 -3.5986 -3.5875 -2.6559 -2.6490 -1.6436 -1.6432 -0.6869 -0.6349 -0.6053 -0.5521 0.4894 0.4950 0.8070 0.8083 1.0673 1.0868 1.6329 1.6409 1.6701 1.6993 1.9618 1.9634 2.9104 2.9146 3.2005 3.2007 3.5811 3.5856 3.6992 3.7010 3.8205 3.8211 3.8917 3.8934 9.0909 9.0938 9.5786 9.6001 9.7974 9.8036 10.6694 10.6864 11.0753 11.0901 k =-0.3452 0.5594 0.3459 ( 4969 PWs) bands (ev): -12.9165 -12.9155 -12.8021 -12.8018 -11.6086 -11.6082 -10.4072 -10.4022 -10.3815 -10.3728 -9.7756 -9.7605 -3.6944 -3.6929 -3.5138 -3.5019 -2.7241 -2.7167 -1.7117 -1.7099 -0.6177 -0.5671 -0.5118 -0.4597 0.5101 0.5132 0.8177 0.8198 1.0357 1.0540 1.6071 1.6270 1.6361 1.6565 1.9485 1.9490 2.9344 2.9386 3.2004 3.2005 3.5856 3.5900 3.6920 3.6943 3.8087 3.8100 3.8733 3.8752 9.0826 9.0833 9.6292 9.6517 9.7770 9.7837 10.6750 10.6925 11.0157 11.0307 k =-0.3452 0.5594 0.3632 ( 4971 PWs) bands (ev): -12.9101 -12.9092 -12.8053 -12.8049 -11.5672 -11.5666 -10.4461 -10.4380 -10.3850 -10.3805 -9.8069 -9.7929 -3.6771 -3.6751 -3.4282 -3.4156 -2.7908 -2.7832 -1.7820 -1.7787 -0.5458 -0.4964 -0.4188 -0.3681 0.5263 0.5269 0.8227 0.8247 1.0087 1.0244 1.5669 1.6089 1.6171 1.6177 1.9327 1.9336 2.9585 2.9627 3.2003 3.2007 3.5896 3.5939 3.6860 3.6888 3.7957 3.7978 3.8550 3.8572 9.0789 9.0804 9.6839 9.7073 9.7560 9.7631 10.6765 10.6946 10.9582 10.9729 k =-0.3452 0.5594 0.3805 ( 4968 PWs) bands (ev): -12.9037 -12.9028 -12.8086 -12.8082 -11.5242 -11.5233 -10.5099 -10.5023 -10.3627 -10.3588 -9.8386 -9.8258 -3.6571 -3.6545 -3.3419 -3.3288 -2.8560 -2.8481 -1.8541 -1.8496 -0.4713 -0.4232 -0.3270 -0.2780 0.5357 0.5376 0.8167 0.8173 0.9918 1.0029 1.5218 1.5652 1.6049 1.6057 1.9141 1.9164 2.9825 2.9867 3.2001 3.2009 3.5933 3.5976 3.6814 3.6845 3.7817 3.7846 3.8371 3.8395 9.0809 9.0845 9.7291 9.7404 9.7463 9.7670 10.6728 10.6918 10.9050 10.9186 k =-0.3452 0.5594 0.3978 ( 4963 PWs) bands (ev): -12.8973 -12.8964 -12.8122 -12.8118 -11.4793 -11.4782 -10.5737 -10.5666 -10.3393 -10.3360 -9.8705 -9.8588 -3.6344 -3.6312 -3.2553 -3.2418 -2.9196 -2.9115 -1.9280 -1.9222 -0.3944 -0.3477 -0.2370 -0.1900 0.5393 0.5436 0.7933 0.7944 0.9891 0.9943 1.4763 1.5194 1.5966 1.5983 1.8932 1.8968 3.0061 3.0104 3.1998 3.2010 3.5967 3.6012 3.6781 3.6816 3.7671 3.7707 3.8196 3.8222 9.0895 9.0951 9.7054 9.7153 9.8059 9.8293 10.6629 10.6829 10.8577 10.8697 k =-0.3452 0.5594 0.4150 ( 4958 PWs) bands (ev): -12.8910 -12.8900 -12.8160 -12.8156 -11.4328 -11.4315 -10.6373 -10.6307 -10.3148 -10.3122 -9.9026 -9.8920 -3.6089 -3.6051 -3.1685 -3.1546 -2.9812 -2.9731 -2.0035 -1.9966 -0.3154 -0.2703 -0.1495 -0.1046 0.5372 0.5440 0.7544 0.7559 0.9987 0.9987 1.4314 1.4735 1.5922 1.5946 1.8699 1.8747 3.0292 3.0336 3.1989 3.2005 3.6003 3.6050 3.6763 3.6802 3.7519 3.7562 3.8026 3.8054 9.1045 9.1120 9.6755 9.6863 9.8706 9.8944 10.6462 10.6674 10.8181 10.8280 k =-0.3452 0.5594 0.4323 ( 4956 PWs) bands (ev): -12.8846 -12.8837 -12.8201 -12.8196 -11.3846 -11.3830 -10.7005 -10.6943 -10.2894 -10.2875 -9.9346 -9.9252 -3.5806 -3.5762 -3.0821 -3.0679 -3.0405 -3.0325 -2.0805 -2.0724 -0.2346 -0.1913 -0.0650 -0.0225 0.5290 0.5384 0.7050 0.7050 1.0121 1.0162 1.3879 1.4283 1.5917 1.5950 1.8444 1.8503 3.0515 3.0560 3.1972 3.1994 3.6044 3.6093 3.6760 3.6802 3.7365 3.7415 3.7862 3.7893 9.1260 9.1353 9.6410 9.6531 9.9375 9.9614 10.6224 10.6445 10.7871 10.7949 k =-0.3452 0.5594 0.4496 ( 4958 PWs) bands (ev): -12.8784 -12.8775 -12.8243 -12.8238 -11.3348 -11.3329 -10.7631 -10.7575 -10.2630 -10.2619 -9.9666 -9.9582 -3.5496 -3.5447 -3.0993 -3.0909 -2.9944 -2.9805 -2.1588 -2.1497 -0.1523 -0.1112 0.0157 0.0557 0.5143 0.5265 0.6456 0.6481 1.0310 1.0386 1.3460 1.3843 1.5956 1.5996 1.8172 1.8240 3.0728 3.0774 3.1945 3.1971 3.6091 3.6145 3.6773 3.6817 3.7211 3.7266 3.7706 3.7739 9.1535 9.1644 9.6020 9.6152 10.0059 10.0297 10.5915 10.6142 10.7652 10.7713 k =-0.3452 0.5594 0.4669 ( 4955 PWs) bands (ev): -12.8722 -12.8714 -12.8288 -12.8283 -11.2835 -11.2813 -10.8251 -10.8199 -10.2357 -10.2354 -9.9983 -9.9910 -3.5160 -3.5105 -3.1549 -3.1467 -2.9080 -2.8941 -2.2384 -2.2284 -0.0691 -0.0303 0.0920 0.1295 0.4926 0.5077 0.5802 0.5858 1.0534 1.0642 1.3060 1.3416 1.6039 1.6086 1.7888 1.7962 3.0928 3.0975 3.1904 3.1936 3.6148 3.6206 3.6799 3.6847 3.7060 3.7118 3.7559 3.7594 9.1867 9.1990 9.5588 9.5729 10.0751 10.0986 10.5539 10.5765 10.7528 10.7577 k =-0.3452 0.5594 0.4842 ( 4959 PWs) bands (ev): -12.8662 -12.8654 -12.8336 -12.8330 -11.2306 -11.2281 -10.8863 -10.8815 -10.2081 -10.2075 -10.0298 -10.0236 -3.4796 -3.4737 -3.2084 -3.2003 -2.8219 -2.8081 -2.3191 -2.3082 0.0145 0.0509 0.1634 0.1984 0.4623 0.4808 0.5119 0.5203 1.0784 1.0922 1.2680 1.3006 1.6165 1.6220 1.7599 1.7676 3.1113 3.1161 3.1847 3.1883 3.6216 3.6279 3.6827 3.6889 3.6928 3.6976 3.7422 3.7458 9.2250 9.2385 9.5121 9.5270 10.1442 10.1675 10.5096 10.5320 10.7500 10.7540 k =-0.3452 0.5594 0.5015 ( 4952 PWs) bands (ev): -12.8603 -12.8595 -12.8385 -12.8379 -11.1764 -11.1735 -10.9465 -10.9422 -10.1800 -10.1786 -10.0609 -10.0557 -3.4407 -3.4343 -3.2596 -3.2518 -2.7363 -2.7227 -2.4008 -2.3892 0.0981 0.1318 0.2288 0.2617 0.4164 0.4366 0.4492 0.4617 1.1055 1.1223 1.2318 1.2613 1.6332 1.6394 1.7311 1.7389 3.1282 3.1330 3.1772 3.1813 3.6298 3.6365 3.6751 3.6829 3.6923 3.6957 3.7295 3.7333 9.2677 9.2822 9.4630 9.4785 10.2125 10.2354 10.4592 10.4814 10.7564 10.7598 k =-0.3452 0.5594 0.5188 ( 4956 PWs) bands (ev): -12.8546 -12.8538 -12.8437 -12.8430 -11.1208 -11.1176 -11.0057 -11.0018 -10.1512 -10.1488 -10.0915 -10.0873 -3.3991 -3.3923 -3.3085 -3.3010 -2.6513 -2.6381 -2.4835 -2.4712 0.1806 0.2118 0.2840 0.3184 0.3521 0.3684 0.4001 0.4181 1.1345 1.1543 1.1976 1.2238 1.6536 1.6605 1.7033 1.7110 3.1434 3.1481 3.1679 3.1722 3.6394 3.6464 3.6624 3.6698 3.6991 3.7030 3.7180 3.7219 9.3139 9.3291 9.4128 9.4284 10.2790 10.3016 10.4033 10.4256 10.7715 10.7743 k =-0.3452 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8491 -12.8491 -12.8483 -12.8483 -11.0638 -11.0638 -11.0603 -11.0603 -10.1216 -10.1216 -10.1184 -10.1184 -3.3551 -3.3551 -3.3479 -3.3479 -2.5670 -2.5670 -2.5542 -2.5542 0.2591 0.2591 0.2899 0.2899 0.3533 0.3533 0.3726 0.3726 1.1652 1.1652 1.1882 1.1882 1.6772 1.6772 1.6846 1.6846 3.1566 3.1566 3.1612 3.1612 3.6503 3.6503 3.6576 3.6576 3.7079 3.7079 3.7118 3.7118 9.3626 9.3626 9.3782 9.3782 10.3429 10.3429 10.3653 10.3653 10.7943 10.7943 k =-0.3452 0.5594 0.5361 ( 4960 PWs) bands (ev): -12.8491 -12.8491 -12.8483 -12.8483 -11.0638 -11.0638 -11.0603 -11.0603 -10.1216 -10.1216 -10.1184 -10.1184 -3.3551 -3.3551 -3.3479 -3.3479 -2.5670 -2.5670 -2.5542 -2.5542 0.2591 0.2591 0.2899 0.2899 0.3533 0.3533 0.3726 0.3726 1.1652 1.1652 1.1882 1.1882 1.6772 1.6772 1.6846 1.6846 3.1566 3.1566 3.1612 3.1612 3.6503 3.6503 3.6576 3.6576 3.7079 3.7079 3.7118 3.7118 9.3626 9.3626 9.3782 9.3782 10.3429 10.3429 10.3653 10.3653 10.7943 10.7943 k =-0.3543 0.5446 0.5361 ( 4964 PWs) bands (ev): -12.8440 -12.8440 -12.8433 -12.8433 -11.0921 -11.0921 -11.0887 -11.0887 -10.0925 -10.0925 -10.0893 -10.0893 -3.4231 -3.4231 -3.4167 -3.4167 -2.5069 -2.5069 -2.4939 -2.4939 0.2668 0.2668 0.2978 0.2978 0.3613 0.3613 0.3787 0.3787 1.1624 1.1624 1.1841 1.1841 1.6835 1.6835 1.6908 1.6908 3.1451 3.1451 3.1495 3.1495 3.6346 3.6346 3.6413 3.6413 3.7250 3.7250 3.7290 3.7290 9.3454 9.3454 9.3609 9.3609 10.3484 10.3484 10.3695 10.3695 10.8073 10.8073 k =-0.3634 0.5299 0.5361 ( 4962 PWs) bands (ev): -12.8391 -12.8391 -12.8385 -12.8385 -11.1188 -11.1188 -11.1156 -11.1156 -10.0639 -10.0639 -10.0608 -10.0608 -3.4889 -3.4889 -3.4832 -3.4832 -2.4495 -2.4495 -2.4365 -2.4365 0.2751 0.2751 0.3063 0.3063 0.3688 0.3688 0.3842 0.3842 1.1578 1.1578 1.1781 1.1781 1.6914 1.6914 1.6987 1.6987 3.1326 3.1326 3.1370 3.1370 3.6196 3.6196 3.6259 3.6259 3.7434 3.7434 3.7474 3.7474 9.3260 9.3260 9.3413 9.3413 10.3539 10.3539 10.3736 10.3736 10.8245 10.8245 k =-0.3725 0.5151 0.5361 ( 4962 PWs) bands (ev): -12.8346 -12.8346 -12.8340 -12.8340 -11.1440 -11.1440 -11.1410 -11.1410 -10.0360 -10.0360 -10.0330 -10.0330 -3.5522 -3.5522 -3.5471 -3.5471 -2.3950 -2.3950 -2.3821 -2.3821 0.2841 0.2841 0.3154 0.3154 0.3760 0.3760 0.3894 0.3894 1.1513 1.1513 1.1701 1.1701 1.7008 1.7008 1.7080 1.7080 3.1194 3.1194 3.1236 3.1236 3.6053 3.6053 3.6114 3.6114 3.7628 3.7628 3.7666 3.7666 9.3050 9.3050 9.3199 9.3199 10.3599 10.3599 10.3782 10.3782 10.8450 10.8450 k =-0.3816 0.5004 0.5361 ( 4962 PWs) bands (ev): -12.8304 -12.8304 -12.8299 -12.8299 -11.1676 -11.1676 -11.1648 -11.1648 -10.0091 -10.0091 -10.0062 -10.0062 -3.6126 -3.6126 -3.6081 -3.6081 -2.3437 -2.3437 -2.3309 -2.3309 0.2938 0.2938 0.3252 0.3252 0.3829 0.3829 0.3942 0.3942 1.1430 1.1430 1.1603 1.1603 1.7113 1.7113 1.7184 1.7184 3.1057 3.1057 3.1097 3.1097 3.5920 3.5920 3.5977 3.5977 3.7827 3.7827 3.7864 3.7864 9.2831 9.2831 9.2975 9.2975 10.3667 10.3667 10.3836 10.3836 10.8677 10.8678 k =-0.3907 0.4856 0.5361 ( 4958 PWs) bands (ev): -12.8265 -12.8265 -12.8260 -12.8260 -11.1895 -11.1895 -11.1869 -11.1869 -9.9832 -9.9832 -9.9805 -9.9805 -3.6699 -3.6699 -3.6660 -3.6660 -2.2955 -2.2955 -2.2831 -2.2831 0.3042 0.3042 0.3355 0.3355 0.3895 0.3895 0.3986 0.3986 1.1331 1.1331 1.1488 1.1488 1.7227 1.7227 1.7296 1.7296 3.0916 3.0916 3.0953 3.0953 3.5796 3.5796 3.5850 3.5850 3.8029 3.8029 3.8063 3.8063 9.2607 9.2607 9.2744 9.2744 10.3748 10.3748 10.3902 10.3902 10.8925 10.8925 k =-0.3998 0.4709 0.5361 ( 4974 PWs) bands (ev): -12.8229 -12.8229 -12.8224 -12.8224 -11.2098 -11.2098 -11.2074 -11.2074 -9.9586 -9.9586 -9.9560 -9.9560 -3.7238 -3.7238 -3.7204 -3.7204 -2.2507 -2.2507 -2.2387 -2.2387 0.3152 0.3152 0.3461 0.3461 0.3959 0.3959 0.4029 0.4029 1.1216 1.1216 1.1358 1.1358 1.7348 1.7348 1.7413 1.7413 3.0774 3.0774 3.0809 3.0809 3.5682 3.5682 3.5732 3.5732 3.8230 3.8230 3.8262 3.8262 9.2383 9.2383 9.2513 9.2513 10.3842 10.3842 10.3983 10.3983 10.9185 10.9185 k =-0.4089 0.4561 0.5361 ( 4978 PWs) bands (ev): -12.8197 -12.8197 -12.8192 -12.8192 -11.2284 -11.2284 -11.2262 -11.2262 -9.9354 -9.9354 -9.9330 -9.9330 -3.7740 -3.7740 -3.7711 -3.7711 -2.2093 -2.2093 -2.1979 -2.1979 0.3265 0.3265 0.3570 0.3570 0.4022 0.4022 0.4072 0.4072 1.1090 1.1090 1.1215 1.1215 1.7471 1.7471 1.7534 1.7534 3.0632 3.0632 3.0665 3.0665 3.5578 3.5578 3.5624 3.5624 3.8427 3.8427 3.8456 3.8456 9.2165 9.2165 9.2286 9.2286 10.3951 10.3951 10.4078 10.4078 10.9450 10.9450 k =-0.4180 0.4414 0.5361 ( 4978 PWs) bands (ev): -12.8167 -12.8167 -12.8163 -12.8163 -11.2452 -11.2452 -11.2432 -11.2432 -9.9138 -9.9138 -9.9115 -9.9115 -3.8203 -3.8203 -3.8178 -3.8178 -2.1715 -2.1715 -2.1608 -2.1608 0.3380 0.3380 0.3676 0.3676 0.4086 0.4086 0.4117 0.4117 1.0954 1.0954 1.1064 1.1064 1.7596 1.7596 1.7654 1.7654 3.0494 3.0494 3.0524 3.0524 3.5483 3.5483 3.5526 3.5526 3.8616 3.8616 3.8642 3.8642 9.1957 9.1957 9.2068 9.2068 10.4074 10.4074 10.4187 10.4187 10.9713 10.9713 k =-0.4272 0.4266 0.5361 ( 4986 PWs) bands (ev): -12.8140 -12.8140 -12.8137 -12.8137 -11.2603 -11.2603 -11.2586 -11.2586 -9.8939 -9.8939 -9.8919 -9.8919 -3.8625 -3.8625 -3.8603 -3.8603 -2.1374 -2.1374 -2.1275 -2.1275 0.3492 0.3492 0.3774 0.3774 0.4152 0.4152 0.4169 0.4169 1.0812 1.0812 1.0906 1.0906 1.7717 1.7717 1.7772 1.7772 3.0362 3.0362 3.0389 3.0389 3.5399 3.5399 3.5438 3.5438 3.8795 3.8795 3.8819 3.8819 9.1762 9.1762 9.1863 9.1863 10.4210 10.4210 10.4309 10.4309 10.9968 10.9968 k =-0.4363 0.4118 0.5361 ( 4976 PWs) bands (ev): -12.8117 -12.8117 -12.8114 -12.8114 -11.2737 -11.2737 -11.2722 -11.2722 -9.8759 -9.8759 -9.8741 -9.8741 -3.9003 -3.9003 -3.8985 -3.8985 -2.1071 -2.1071 -2.0981 -2.0981 0.3597 0.3597 0.3856 0.3856 0.4222 0.4222 0.4231 0.4231 1.0669 1.0669 1.0748 1.0748 1.7834 1.7834 1.7883 1.7883 3.0239 3.0239 3.0262 3.0262 3.5325 3.5325 3.5359 3.5359 3.8961 3.8961 3.8981 3.8981 9.1584 9.1584 9.1674 9.1674 10.4354 10.4354 10.4440 10.4440 11.0209 11.0209 k =-0.4454 0.3971 0.5361 ( 4976 PWs) bands (ev): -12.8096 -12.8096 -12.8094 -12.8094 -11.2853 -11.2853 -11.2840 -11.2840 -9.8600 -9.8600 -9.8584 -9.8584 -3.9334 -3.9334 -3.9319 -3.9319 -2.0805 -2.0805 -2.0726 -2.0726 0.3692 0.3692 0.3917 0.3917 0.4296 0.4296 0.4305 0.4305 1.0529 1.0529 1.0594 1.0594 1.7942 1.7942 1.7986 1.7986 3.0126 3.0126 3.0146 3.0146 3.5261 3.5261 3.5290 3.5290 3.9110 3.9110 3.9128 3.9128 9.1425 9.1425 9.1503 9.1503 10.4503 10.4503 10.4575 10.4575 11.0430 11.0430 k =-0.4545 0.3823 0.5361 ( 4972 PWs) bands (ev): -12.8079 -12.8079 -12.8077 -12.8077 -11.2952 -11.2952 -11.2940 -11.2940 -9.8462 -9.8462 -9.8449 -9.8449 -3.9618 -3.9618 -3.9606 -3.9606 -2.0578 -2.0578 -2.0511 -2.0511 0.3774 0.3774 0.3959 0.3959 0.4373 0.4373 0.4387 0.4387 1.0396 1.0396 1.0448 1.0448 1.8040 1.8040 1.8077 1.8077 3.0026 3.0026 3.0043 3.0043 3.5207 3.5207 3.5232 3.5232 3.9241 3.9241 3.9256 3.9256 9.1287 9.1287 9.1353 9.1353 10.4649 10.4649 10.4708 10.4708 11.0626 11.0626 k =-0.4636 0.3676 0.5361 ( 4972 PWs) bands (ev): -12.8065 -12.8065 -12.8063 -12.8063 -11.3032 -11.3032 -11.3023 -11.3023 -9.8348 -9.8348 -9.8337 -9.8337 -3.9852 -3.9852 -3.9843 -3.9843 -2.0391 -2.0391 -2.0336 -2.0336 0.3841 0.3841 0.3985 0.3985 0.4450 0.4450 0.4467 0.4467 1.0278 1.0278 1.0318 1.0318 1.8124 1.8124 1.8154 1.8154 2.9941 2.9941 2.9955 2.9955 3.5163 3.5163 3.5183 3.5183 3.9352 3.9352 3.9363 3.9363 9.1174 9.1174 9.1227 9.1227 10.4785 10.4785 10.4832 10.4832 11.0793 11.0793 k =-0.4727 0.3528 0.5361 ( 4970 PWs) bands (ev): -12.8054 -12.8054 -12.8053 -12.8053 -11.3094 -11.3094 -11.3088 -11.3088 -9.8258 -9.8258 -9.8249 -9.8249 -4.0036 -4.0036 -4.0029 -4.0029 -2.0243 -2.0243 -2.0201 -2.0201 0.3894 0.3894 0.3999 0.3999 0.4520 0.4520 0.4539 0.4539 1.0179 1.0179 1.0208 1.0208 1.8193 1.8193 1.8216 1.8216 2.9874 2.9874 2.9884 2.9884 3.5130 3.5130 3.5145 3.5145 3.9440 3.9440 3.9448 3.9448 9.1086 9.1086 9.1126 9.1126 10.4903 10.4903 10.4938 10.4938 11.0927 11.0927 k =-0.4818 0.3381 0.5361 ( 4978 PWs) bands (ev): -12.8046 -12.8046 -12.8045 -12.8045 -11.3139 -11.3139 -11.3134 -11.3134 -9.8192 -9.8192 -9.8187 -9.8187 -4.0168 -4.0168 -4.0163 -4.0163 -2.0135 -2.0135 -2.0107 -2.0107 0.3934 0.3934 0.4003 0.4003 0.4578 0.4578 0.4593 0.4593 1.0105 1.0105 1.0123 1.0123 1.8245 1.8245 1.8260 1.8260 2.9825 2.9825 2.9832 2.9832 3.5106 3.5106 3.5117 3.5117 3.9504 3.9504 3.9510 3.9510 9.1024 9.1024 9.1050 9.1050 10.4996 10.4996 10.5020 10.5020 11.1026 11.1027 k =-0.4909 0.3233 0.5361 ( 4978 PWs) bands (ev): -12.8041 -12.8041 -12.8041 -12.8041 -11.3165 -11.3165 -11.3162 -11.3162 -9.8152 -9.8152 -9.8149 -9.8149 -4.0247 -4.0247 -4.0244 -4.0244 -2.0067 -2.0067 -2.0053 -2.0053 0.3965 0.3965 0.3998 0.3998 0.4617 0.4617 0.4626 0.4626 1.0060 1.0060 1.0069 1.0069 1.8278 1.8278 1.8286 1.8286 2.9796 2.9796 2.9799 2.9799 3.5094 3.5094 3.5099 3.5099 3.9543 3.9543 3.9546 3.9546 9.0989 9.0989 9.1002 9.1002 10.5058 10.5058 10.5069 10.5069 11.1086 11.1088 k =-0.5000 0.3085 0.5361 ( 4976 PWs) bands (ev): -12.8039 -12.8039 -12.8039 -12.8039 -11.3173 -11.3173 -11.3173 -11.3173 -9.8138 -9.8138 -9.8138 -9.8138 -4.0272 -4.0272 -4.0272 -4.0272 -2.0040 -2.0040 -2.0040 -2.0040 0.3986 0.3986 0.3986 0.3986 0.4634 0.4634 0.4634 0.4634 1.0048 1.0048 1.0048 1.0048 1.8292 1.8292 1.8292 1.8292 2.9787 2.9787 2.9787 2.9787 3.5091 3.5091 3.5091 3.5091 3.9558 3.9558 3.9558 3.9558 9.0982 9.0982 9.0982 9.0982 10.5082 10.5082 10.5082 10.5082 11.1108 11.1108 k =-0.5000 0.3085 0.5361 ( 4976 PWs) bands (ev): -12.8039 -12.8039 -12.8039 -12.8039 -11.3173 -11.3173 -11.3173 -11.3173 -9.8138 -9.8138 -9.8138 -9.8138 -4.0272 -4.0272 -4.0272 -4.0272 -2.0040 -2.0040 -2.0040 -2.0040 0.3986 0.3986 0.3986 0.3986 0.4634 0.4634 0.4634 0.4634 1.0048 1.0048 1.0048 1.0048 1.8292 1.8292 1.8292 1.8292 2.9787 2.9787 2.9787 2.9787 3.5091 3.5091 3.5091 3.5091 3.9558 3.9558 3.9558 3.9558 9.0982 9.0982 9.0982 9.0982 10.5082 10.5082 10.5082 10.5082 11.1108 11.1108 k =-0.5000 0.3085 0.5188 ( 4990 PWs) bands (ev): -12.8068 -12.8068 -12.8011 -12.8011 -11.3768 -11.3768 -11.2564 -11.2564 -9.8192 -9.8192 -9.8084 -9.8084 -4.0297 -4.0297 -4.0212 -4.0212 -2.1130 -2.1130 -1.8974 -1.8974 0.3766 0.3766 0.3935 0.3935 0.4360 0.4360 0.5131 0.5131 0.9556 0.9556 1.0556 1.0556 1.8222 1.8222 1.8341 1.8341 2.9633 2.9633 2.9926 2.9926 3.5015 3.5015 3.5186 3.5186 3.9478 3.9478 3.9648 3.9648 9.0945 9.0945 9.1094 9.1094 10.4905 10.4905 10.5167 10.5167 11.0694 11.0694 k =-0.5000 0.3085 0.5015 ( 4998 PWs) bands (ev): -12.8099 -12.8099 -12.7985 -12.7985 -11.4349 -11.4349 -11.1943 -11.1943 -9.8248 -9.8248 -9.8032 -9.8032 -4.0288 -4.0288 -4.0117 -4.0117 -2.2243 -2.2243 -1.7936 -1.7936 0.3314 0.3314 0.3751 0.3751 0.4305 0.4305 0.5677 0.5677 0.9092 0.9092 1.1076 1.1076 1.8129 1.8129 1.8377 1.8377 2.9465 2.9465 3.0049 3.0049 3.4960 3.4960 3.5296 3.5296 3.9409 3.9409 3.9749 3.9749 9.0984 9.0984 9.1283 9.1283 10.4631 10.4631 10.5169 10.5169 11.0302 11.0302 k =-0.5000 0.3085 0.4842 ( 4994 PWs) bands (ev): -12.8130 -12.8130 -12.7960 -12.7960 -11.4915 -11.4915 -11.1311 -11.1311 -9.8305 -9.8305 -9.7982 -9.7982 -4.0243 -4.0243 -3.9988 -3.9988 -2.3373 -2.3373 -1.6928 -1.6928 0.2813 0.2813 0.3508 0.3508 0.4248 0.4248 0.6209 0.6209 0.8680 0.8680 1.1605 1.1605 1.8011 1.8011 1.8404 1.8404 2.9283 2.9283 3.0159 3.0159 3.4924 3.4924 3.5420 3.5420 3.9353 3.9353 3.9858 3.9858 9.1095 9.1095 9.1548 9.1548 10.4259 10.4259 10.5100 10.5100 10.9934 10.9934 k =-0.5000 0.3085 0.4669 ( 4998 PWs) bands (ev): -12.8162 -12.8162 -12.7936 -12.7936 -11.5466 -11.5466 -11.0667 -11.0667 -9.8363 -9.8363 -9.7933 -9.7933 -4.0164 -4.0164 -3.9824 -3.9824 -2.4519 -2.4519 -1.5953 -1.5953 0.2314 0.2314 0.3215 0.3215 0.4139 0.4139 0.6646 0.6646 0.8396 0.8396 1.2140 1.2140 1.7866 1.7866 1.8429 1.8429 2.9092 2.9092 3.0258 3.0258 3.4907 3.4907 3.5550 3.5550 3.9311 3.9311 3.9976 3.9976 9.1277 9.1277 9.1887 9.1887 10.3794 10.3794 10.4971 10.4971 10.9594 10.9594 k =-0.5000 0.3085 0.4496 ( 4990 PWs) bands (ev): -12.8195 -12.8195 -12.7913 -12.7913 -11.6001 -11.6001 -11.0015 -11.0015 -9.8421 -9.8421 -9.7886 -9.7886 -4.0050 -4.0050 -3.9627 -3.9627 -2.5677 -2.5677 -1.5012 -1.5012 0.1828 0.1828 0.2875 0.2875 0.3964 0.3964 0.6803 0.6803 0.8420 0.8420 1.2680 1.2680 1.7696 1.7696 1.8459 1.8459 2.8894 2.8894 3.0348 3.0348 3.4904 3.4904 3.5683 3.5683 3.9281 3.9281 4.0101 4.0101 9.1523 9.1523 9.2297 9.2297 10.3245 10.3245 10.4795 10.4795 10.9285 10.9285 k =-0.5000 0.3085 0.4323 ( 4992 PWs) bands (ev): -12.8228 -12.8228 -12.7892 -12.7892 -11.6519 -11.6519 -10.9354 -10.9354 -9.8480 -9.8480 -9.7841 -9.7841 -3.9902 -3.9902 -3.9397 -3.9397 -2.6842 -2.6842 -1.4109 -1.4109 0.1358 0.1358 0.2491 0.2491 0.3719 0.3719 0.6620 0.6620 0.8809 0.8809 1.3221 1.3221 1.7502 1.7502 1.8501 1.8501 2.8693 2.8693 3.0431 3.0431 3.4913 3.4913 3.5812 3.5812 3.9266 3.9266 4.0232 4.0232 9.1830 9.1830 9.2775 9.2775 10.2625 10.2625 10.4581 10.4581 10.9011 10.9011 k =-0.5000 0.3085 0.4150 ( 4992 PWs) bands (ev): -12.8262 -12.8262 -12.7873 -12.7873 -11.7020 -11.7020 -10.8686 -10.8686 -9.8539 -9.8539 -9.7799 -9.7799 -3.9721 -3.9721 -3.9134 -3.9134 -2.8013 -2.8013 -1.3243 -1.3243 0.0905 0.0905 0.2064 0.2064 0.3404 0.3404 0.6282 0.6282 0.9378 0.9378 1.3763 1.3763 1.7287 1.7287 1.8560 1.8560 2.8492 2.8492 3.0510 3.0510 3.4931 3.4931 3.5933 3.5933 3.9266 3.9266 4.0368 4.0368 9.2191 9.2191 9.3317 9.3317 10.1945 10.1945 10.4340 10.4340 10.8776 10.8776 k =-0.5000 0.3085 0.3978 ( 4988 PWs) bands (ev): -12.8297 -12.8297 -12.7854 -12.7854 -11.7503 -11.7503 -10.8013 -10.8013 -9.8597 -9.8597 -9.7758 -9.7758 -3.9508 -3.9508 -3.8840 -3.8840 -2.9184 -2.9184 -1.2416 -1.2416 0.0470 0.0470 0.1597 0.1597 0.3019 0.3019 0.5896 0.5896 1.0016 1.0016 1.4303 1.4303 1.7055 1.7055 1.8641 1.8641 2.8294 2.8294 3.0587 3.0587 3.4954 3.4954 3.6040 3.6040 3.9280 3.9280 4.0509 4.0509 9.2599 9.2599 9.3917 9.3917 10.1216 10.1216 10.4078 10.4078 10.8584 10.8584 k =-0.5000 0.3085 0.3805 ( 4982 PWs) bands (ev): -12.8331 -12.8331 -12.7838 -12.7838 -11.7969 -11.7969 -10.7336 -10.7336 -9.8656 -9.8656 -9.7719 -9.7719 -3.9262 -3.9262 -3.8515 -3.8515 -3.0353 -3.0353 -1.1629 -1.1629 0.0053 0.0053 0.1091 0.1091 0.2565 0.2565 0.5499 0.5499 1.0684 1.0684 1.4839 1.4839 1.6812 1.6812 1.8747 1.8747 2.8102 2.8102 3.0662 3.0662 3.4978 3.4978 3.6130 3.6130 3.9310 3.9310 4.0653 4.0653 9.3045 9.3045 9.4569 9.4569 10.0452 10.0452 10.3802 10.3802 10.8440 10.8440 k =-0.5000 0.3085 0.3632 ( 4986 PWs) bands (ev): -12.8366 -12.8366 -12.7822 -12.7822 -11.8416 -11.8416 -10.6656 -10.6656 -9.8714 -9.8714 -9.7682 -9.7682 -3.8986 -3.8986 -3.8161 -3.8161 -3.1515 -3.1515 -1.0882 -1.0882 -0.0347 -0.0347 0.0549 0.0549 0.2047 0.2047 0.5105 0.5105 1.1366 1.1366 1.5366 1.5366 1.6564 1.6564 1.8880 1.8880 2.7917 2.7917 3.0737 3.0737 3.5003 3.5003 3.6200 3.6200 3.9355 3.9355 4.0799 4.0799 9.3522 9.3522 9.5268 9.5268 9.9662 9.9662 10.3517 10.3517 10.8349 10.8349 k =-0.5000 0.3085 0.3459 ( 4982 PWs) bands (ev): -12.8400 -12.8400 -12.7808 -12.7808 -11.8844 -11.8844 -10.5977 -10.5977 -9.8771 -9.8771 -9.7648 -9.7648 -3.8681 -3.8681 -3.7779 -3.7779 -3.2666 -3.2666 -1.0176 -1.0176 -0.0732 -0.0732 -0.0028 -0.0028 0.1471 0.1471 0.4719 0.4719 1.2053 1.2054 1.5858 1.5858 1.6341 1.6341 1.9040 1.9040 2.7742 2.7742 3.0812 3.0812 3.5025 3.5025 3.6247 3.6247 3.9415 3.9415 4.0946 4.0946 9.4018 9.4018 9.6006 9.6006 9.8855 9.8855 10.3228 10.3228 10.8317 10.8317 k =-0.5000 0.3085 0.3286 ( 4986 PWs) bands (ev): -12.8435 -12.8435 -12.7795 -12.7795 -11.9253 -11.9253 -10.5299 -10.5299 -9.8827 -9.8827 -9.7615 -9.7615 -3.8348 -3.8348 -3.7370 -3.7370 -3.3804 -3.3804 -0.9510 -0.9510 -0.1107 -0.1107 -0.0630 -0.0630 0.0843 0.0843 0.4345 0.4345 1.2740 1.2740 1.5969 1.5969 1.6491 1.6491 1.9227 1.9227 2.7576 2.7576 3.0887 3.0887 3.5044 3.5044 3.6269 3.6269 3.9489 3.9489 4.1094 4.1094 9.4525 9.4525 9.6776 9.6776 9.8039 9.8039 10.2938 10.2938 10.8347 10.8347 k =-0.5000 0.3085 0.3113 ( 4974 PWs) bands (ev): -12.8469 -12.8469 -12.7784 -12.7784 -11.9643 -11.9643 -10.4625 -10.4625 -9.8882 -9.8882 -9.7585 -9.7585 -3.7988 -3.7988 -3.6936 -3.6936 -3.4923 -3.4923 -0.8884 -0.8884 -0.1502 -0.1502 -0.1228 -0.1228 0.0171 0.0171 0.3984 0.3984 1.3418 1.3418 1.5745 1.5745 1.6970 1.6970 1.9439 1.9439 2.7420 2.7420 3.0964 3.0964 3.5058 3.5058 3.6265 3.6265 3.9578 3.9578 4.1241 4.1241 9.5031 9.5031 9.7222 9.7222 9.7570 9.7570 10.2650 10.2650 10.8446 10.8446 k =-0.5000 0.3085 0.2940 ( 4974 PWs) bands (ev): -12.8502 -12.8502 -12.7774 -12.7774 -12.0013 -12.0013 -10.3958 -10.3958 -9.8935 -9.8935 -9.7556 -9.7556 -3.7604 -3.7604 -3.6479 -3.6479 -3.6020 -3.6020 -0.8298 -0.8298 -0.2043 -0.2043 -0.1694 -0.1694 -0.0534 -0.0534 0.3638 0.3638 1.4083 1.4083 1.5506 1.5506 1.7461 1.7461 1.9674 1.9674 2.7275 2.7275 3.1041 3.1041 3.5067 3.5067 3.6236 3.6236 3.9681 3.9681 4.1386 4.1386 9.5525 9.5525 9.6411 9.6411 9.8379 9.8379 10.2367 10.2367 10.8618 10.8618 k =-0.5000 0.3085 0.2767 ( 4964 PWs) bands (ev): -12.8534 -12.8534 -12.7765 -12.7765 -12.0363 -12.0363 -10.3299 -10.3299 -9.8987 -9.8987 -9.7530 -9.7530 -3.7211 -3.7211 -3.7078 -3.7078 -3.6001 -3.6001 -0.7751 -0.7751 -0.2713 -0.2713 -0.2053 -0.2053 -0.1255 -0.1255 0.3308 0.3308 1.4714 1.4714 1.5291 1.5291 1.7944 1.7944 1.9929 1.9929 2.7141 2.7141 3.1118 3.1118 3.5070 3.5070 3.6180 3.6180 3.9796 3.9796 4.1528 4.1528 9.5602 9.5602 9.6008 9.6008 9.9197 9.9197 10.2092 10.2092 10.8866 10.8866 k =-0.5000 0.3085 0.2594 ( 4968 PWs) bands (ev): -12.8566 -12.8566 -12.7756 -12.7756 -12.0693 -12.0693 -10.2653 -10.2653 -9.9036 -9.9036 -9.7506 -9.7506 -3.8134 -3.8134 -3.6768 -3.6768 -3.5504 -3.5504 -0.7242 -0.7242 -0.3422 -0.3422 -0.2434 -0.2434 -0.1938 -0.1938 0.2994 0.2994 1.4971 1.4971 1.5439 1.5439 1.8412 1.8412 2.0200 2.0200 2.7017 2.7017 3.1197 3.1197 3.5069 3.5069 3.6098 3.6098 3.9922 3.9922 4.1668 4.1668 9.4820 9.4820 9.6452 9.6452 10.0012 10.0012 10.1828 10.1828 10.9192 10.9192 k =-0.5000 0.3085 0.2421 ( 4962 PWs) bands (ev): -12.8596 -12.8596 -12.7749 -12.7749 -12.1002 -12.1002 -10.2022 -10.2022 -9.9084 -9.9084 -9.7483 -9.7483 -3.9139 -3.9139 -3.6326 -3.6326 -3.4992 -3.4992 -0.6773 -0.6773 -0.4150 -0.4150 -0.3005 -0.3005 -0.2423 -0.2422 0.2697 0.2697 1.4787 1.4787 1.6018 1.6018 1.8863 1.8863 2.0486 2.0486 2.6903 2.6903 3.1275 3.1275 3.5062 3.5062 3.5993 3.5993 4.0058 4.0058 4.1802 4.1802 9.4058 9.4058 9.6865 9.6865 10.0812 10.0812 10.1583 10.1583 10.9594 10.9594 k =-0.5000 0.3085 0.2248 ( 4970 PWs) bands (ev): -12.8625 -12.8625 -12.7743 -12.7743 -12.1291 -12.1291 -10.1410 -10.1410 -9.9129 -9.9129 -9.7463 -9.7463 -4.0105 -4.0105 -3.5870 -3.5870 -3.4468 -3.4468 -0.6346 -0.6346 -0.4884 -0.4884 -0.3738 -0.3738 -0.2731 -0.2731 0.2417 0.2417 1.4591 1.4591 1.6595 1.6595 1.9295 1.9295 2.0781 2.0781 2.6799 2.6799 3.1354 3.1354 3.5051 3.5051 3.5865 3.5865 4.0202 4.0202 4.1932 4.1932 9.3322 9.3322 9.7239 9.7239 10.1277 10.1277 10.1668 10.1668 11.0070 11.0070 k =-0.5000 0.3085 0.2075 ( 4972 PWs) bands (ev): -12.8653 -12.8653 -12.7738 -12.7738 -12.1560 -12.1560 -10.0820 -10.0820 -9.9172 -9.9172 -9.7444 -9.7444 -4.1027 -4.1027 -3.5404 -3.5404 -3.3935 -3.3935 -0.6011 -0.6011 -0.5569 -0.5569 -0.4507 -0.4507 -0.2981 -0.2981 0.2156 0.2156 1.4405 1.4405 1.7146 1.7146 1.9705 1.9705 2.1082 2.1082 2.6704 2.6704 3.1434 3.1434 3.5036 3.5036 3.5716 3.5716 4.0351 4.0351 4.2055 4.2055 9.2617 9.2617 9.7574 9.7574 10.1078 10.1078 10.2408 10.2408 11.0613 11.0613 k =-0.5000 0.3085 0.1902 ( 4972 PWs) bands (ev): -12.8679 -12.8679 -12.7733 -12.7733 -12.1807 -12.1807 -10.0255 -10.0255 -9.9211 -9.9211 -9.7426 -9.7426 -4.1900 -4.1900 -3.4933 -3.4933 -3.3398 -3.3398 -0.6436 -0.6436 -0.5554 -0.5554 -0.5248 -0.5248 -0.3202 -0.3202 0.1912 0.1912 1.4235 1.4235 1.7664 1.7664 2.0092 2.0092 2.1386 2.1386 2.6619 2.6619 3.1513 3.1513 3.5019 3.5019 3.5550 3.5550 4.0504 4.0504 4.2172 4.2172 9.1949 9.1949 9.7868 9.7868 10.0867 10.0867 10.3143 10.3143 11.1215 11.1215 k =-0.5000 0.3085 0.1729 ( 4964 PWs) bands (ev): -12.8703 -12.8703 -12.7729 -12.7729 -12.2033 -12.2033 -9.9722 -9.9722 -9.9247 -9.9247 -9.7411 -9.7411 -4.2719 -4.2719 -3.4462 -3.4462 -3.2862 -3.2862 -0.7153 -0.7153 -0.6061 -0.6061 -0.5185 -0.5185 -0.3400 -0.3400 0.1687 0.1687 1.4079 1.4079 1.8146 1.8146 2.0452 2.0452 2.1688 2.1688 2.6543 2.6543 3.1593 3.1593 3.4999 3.4999 3.5368 3.5368 4.0658 4.0658 4.2281 4.2281 9.1321 9.1321 9.8124 9.8124 10.0669 10.0669 10.3842 10.3842 11.1865 11.1865 k =-0.5000 0.3085 0.1556 ( 4970 PWs) bands (ev): -12.8725 -12.8725 -12.7726 -12.7726 -12.2238 -12.2238 -9.9298 -9.9298 -9.9205 -9.9205 -9.7397 -9.7397 -4.3480 -4.3480 -3.3998 -3.3998 -3.2334 -3.2334 -0.7865 -0.7865 -0.6790 -0.6790 -0.4896 -0.4896 -0.3577 -0.3577 0.1481 0.1481 1.3939 1.3939 1.8589 1.8589 2.0786 2.0786 2.1983 2.1983 2.6475 2.6475 3.1674 3.1674 3.4979 3.4979 3.5175 3.5175 4.0810 4.0810 4.2382 4.2382 9.0738 9.0738 9.8344 9.8344 10.0487 10.0487 10.4498 10.4498 11.2551 11.2551 k =-0.5000 0.3085 0.1383 ( 4966 PWs) bands (ev): -12.8746 -12.8746 -12.7724 -12.7724 -12.2422 -12.2422 -9.9316 -9.9316 -9.8754 -9.8754 -9.7384 -9.7384 -4.4178 -4.4178 -3.3547 -3.3547 -3.1820 -3.1820 -0.8553 -0.8553 -0.7489 -0.7489 -0.4630 -0.4630 -0.3734 -0.3734 0.1295 0.1295 1.3815 1.3815 1.8990 1.8990 2.1089 2.1089 2.2267 2.2267 2.6415 2.6415 3.1755 3.1755 3.4953 3.4953 3.4979 3.4979 4.0957 4.0957 4.2474 4.2474 9.0204 9.0204 9.8531 9.8531 10.0323 10.0323 10.5104 10.5104 11.3259 11.3259 k =-0.5000 0.3085 0.1211 ( 4968 PWs) bands (ev): -12.8764 -12.8764 -12.7721 -12.7721 -12.2585 -12.2585 -9.9343 -9.9343 -9.8336 -9.8336 -9.7371 -9.7371 -4.4807 -4.4807 -3.3117 -3.3117 -3.1328 -3.1328 -0.9203 -0.9203 -0.8144 -0.8144 -0.4395 -0.4395 -0.3873 -0.3873 0.1128 0.1128 1.3706 1.3706 1.9348 1.9348 2.1362 2.1362 2.2536 2.2536 2.6363 2.6363 3.1836 3.1836 3.4769 3.4769 3.4938 3.4938 4.1095 4.1095 4.2557 4.2557 8.9723 8.9723 9.8687 9.8687 10.0178 10.0178 10.5654 10.5654 11.3973 11.3973 k =-0.5000 0.3085 0.1038 ( 4976 PWs) bands (ev): -12.8780 -12.8780 -12.7720 -12.7720 -12.2726 -12.2726 -9.9367 -9.9367 -9.7964 -9.7964 -9.7359 -9.7359 -4.5364 -4.5364 -3.2716 -3.2716 -3.0868 -3.0868 -0.9805 -0.9805 -0.8743 -0.8743 -0.4191 -0.4191 -0.3991 -0.3991 0.0981 0.0981 1.3612 1.3612 1.9661 1.9661 2.1602 2.1602 2.2783 2.2783 2.6318 2.6318 3.1918 3.1918 3.4566 3.4566 3.4919 3.4919 4.1223 4.1223 4.2629 4.2629 8.9298 8.9298 9.8816 9.8816 10.0052 10.0052 10.6142 10.6142 11.4674 11.4674 k =-0.5000 0.3085 0.0865 ( 4976 PWs) bands (ev): -12.8794 -12.8794 -12.7718 -12.7718 -12.2845 -12.2845 -9.9387 -9.9387 -9.7650 -9.7650 -9.7341 -9.7341 -4.5843 -4.5843 -3.2353 -3.2353 -3.0450 -3.0450 -1.0345 -1.0345 -0.9276 -0.9276 -0.4101 -0.4101 -0.4008 -0.4008 0.0856 0.0856 1.3533 1.3533 1.9928 1.9928 2.1807 2.1807 2.3004 2.3004 2.6281 2.6281 3.2000 3.2000 3.4372 3.4372 3.4901 3.4901 4.1337 4.1337 4.2692 4.2692 8.8932 8.8932 9.8920 9.8920 9.9946 9.9946 10.6565 10.6565 11.5343 11.5343 k =-0.5000 0.3085 0.0692 ( 4972 PWs) bands (ev): -12.8805 -12.8805 -12.7717 -12.7717 -12.2943 -12.2943 -9.9404 -9.9404 -9.7433 -9.7433 -9.7281 -9.7281 -4.6241 -4.6241 -3.2039 -3.2039 -3.0086 -3.0086 -1.0812 -1.0812 -0.9733 -0.9733 -0.4179 -0.4179 -0.3869 -0.3869 0.0752 0.0752 1.3469 1.3469 2.0148 2.0148 2.1977 2.1977 2.3194 2.3194 2.6251 2.6251 3.2079 3.2079 3.4191 3.4191 3.4886 3.4886 4.1434 4.1434 4.2743 4.2743 8.8628 8.8628 9.9001 9.9001 9.9861 9.9861 10.6917 10.6917 11.5954 11.5954 k =-0.5000 0.3085 0.0519 ( 4968 PWs) bands (ev): -12.8814 -12.8814 -12.7716 -12.7716 -12.3019 -12.3019 -9.9418 -9.9418 -9.7375 -9.7375 -9.7119 -9.7119 -4.6555 -4.6555 -3.1782 -3.1782 -2.9787 -2.9787 -1.1191 -1.1191 -1.0101 -1.0101 -0.4243 -0.4243 -0.3758 -0.3758 0.0670 0.0670 1.3420 1.3420 2.0320 2.0320 2.2110 2.2110 2.3347 2.3347 2.6227 2.6227 3.2152 3.2152 3.4034 3.4034 3.4873 3.4873 4.1512 4.1512 4.2784 4.2784 8.8389 8.8389 9.9060 9.9060 9.9796 9.9796 10.7195 10.7195 11.6445 11.6445 k =-0.5000 0.3085 0.0346 ( 4964 PWs) bands (ev): -12.8820 -12.8820 -12.7716 -12.7716 -12.3073 -12.3073 -9.9427 -9.9427 -9.7363 -9.7363 -9.6973 -9.6973 -4.6781 -4.6781 -3.1591 -3.1591 -2.9563 -2.9563 -1.1472 -1.1472 -1.0372 -1.0372 -0.4289 -0.4289 -0.3678 -0.3678 0.0611 0.0611 1.3385 1.3385 2.0443 2.0443 2.2206 2.2206 2.3460 2.3460 2.6211 2.6211 3.2213 3.2213 3.3908 3.3908 3.4864 3.4864 4.1569 4.1569 4.2813 4.2813 8.8217 8.8217 9.9100 9.9100 9.9751 9.9751 10.7397 10.7397 11.6428 11.6428 k =-0.5000 0.3085 0.0173 ( 4960 PWs) bands (ev): -12.8824 -12.8824 -12.7715 -12.7715 -12.3106 -12.3106 -9.9433 -9.9433 -9.7358 -9.7358 -9.6882 -9.6882 -4.6918 -4.6918 -3.1474 -3.1474 -2.9425 -2.9425 -1.1646 -1.1646 -1.0537 -1.0537 -0.4316 -0.4316 -0.3630 -0.3630 0.0576 0.0576 1.3364 1.3364 2.0517 2.0517 2.2264 2.2264 2.3529 2.3529 2.6201 2.6201 3.2254 3.2254 3.3827 3.3827 3.4858 3.4858 4.1604 4.1604 4.2830 4.2830 8.8113 8.8113 9.9123 9.9123 9.9726 9.9726 10.7518 10.7518 11.6364 11.6364 k =-0.5000 0.3085 0.0000 ( 4960 PWs) bands (ev): -12.8826 -12.8826 -12.7715 -12.7715 -12.3117 -12.3117 -9.9435 -9.9435 -9.7356 -9.7356 -9.6851 -9.6851 -4.6963 -4.6963 -3.1434 -3.1434 -2.9379 -2.9379 -1.1704 -1.1704 -1.0593 -1.0593 -0.4325 -0.4325 -0.3614 -0.3614 0.0564 0.0564 1.3357 1.3357 2.0542 2.0542 2.2283 2.2283 2.3553 2.3553 2.6198 2.6198 3.2269 3.2269 3.3798 3.3798 3.4857 3.4857 4.1616 4.1616 4.2836 4.2836 8.8079 8.8079 9.9130 9.9130 9.9717 9.9717 10.7559 10.7559 11.6342 11.6342 k = 0.0000 0.0000 0.5361 ( 4944 PWs) bands (ev): -13.0669 -13.0669 -13.0669 -13.0669 -10.8082 -10.8082 -10.8082 -10.8082 -9.7954 -9.7954 -9.7954 -9.7954 -4.8312 -4.8312 -4.8312 -4.8312 -1.4501 -1.4501 -1.4501 -1.4501 -0.2099 -0.2099 -0.2099 -0.2099 0.1677 0.1677 0.1677 0.1677 1.2472 1.2472 1.2472 1.2472 2.2510 2.2510 2.2510 2.2510 3.2847 3.2847 3.2847 3.2847 3.8460 3.8460 3.8460 3.8460 4.0640 4.0640 4.0640 4.0640 8.9356 8.9356 8.9356 8.9356 9.2179 9.2179 9.2179 9.2179 11.5408 11.5408 k =-0.0147 0.0091 0.5361 ( 4952 PWs) bands (ev): -13.0665 -13.0665 -13.0664 -13.0664 -10.8094 -10.8094 -10.8092 -10.8092 -9.7955 -9.7955 -9.7952 -9.7952 -4.8302 -4.8302 -4.8294 -4.8294 -1.4517 -1.4517 -1.4506 -1.4506 -0.2107 -0.2107 -0.2077 -0.2077 0.1683 0.1683 0.1698 0.1698 1.2457 1.2457 1.2469 1.2469 2.2513 2.2513 2.2522 2.2522 3.2836 3.2836 3.2843 3.2843 3.8376 3.8376 3.8403 3.8403 4.0678 4.0678 4.0696 4.0696 8.9357 8.9357 8.9394 8.9394 9.2173 9.2173 9.2203 9.2203 11.5408 11.5408 k =-0.0294 0.0181 0.5361 ( 4946 PWs) bands (ev): -13.0652 -13.0652 -13.0650 -13.0650 -10.8127 -10.8127 -10.8123 -10.8123 -9.7957 -9.7957 -9.7949 -9.7949 -4.8263 -4.8263 -4.8248 -4.8248 -1.4551 -1.4551 -1.4531 -1.4531 -0.2103 -0.2103 -0.2042 -0.2042 0.1716 0.1716 0.1746 0.1746 1.2425 1.2425 1.2448 1.2448 2.2529 2.2529 2.2546 2.2546 3.2809 3.2809 3.2823 3.2823 3.8171 3.8171 3.8220 3.8220 4.0796 4.0796 4.0826 4.0826 8.9397 8.9397 8.9470 8.9470 9.2184 9.2184 9.2245 9.2245 11.5414 11.5414 k =-0.0441 0.0272 0.5361 ( 4942 PWs) bands (ev): -13.0630 -13.0630 -13.0627 -13.0627 -10.8181 -10.8181 -10.8175 -10.8175 -9.7957 -9.7957 -9.7946 -9.7946 -4.8195 -4.8195 -4.8173 -4.8173 -1.4606 -1.4606 -1.4576 -1.4576 -0.2084 -0.2084 -0.1995 -0.1995 0.1776 0.1776 0.1821 0.1821 1.2375 1.2375 1.2409 1.2409 2.2557 2.2557 2.2584 2.2584 3.2766 3.2766 3.2788 3.2788 3.7882 3.7882 3.7947 3.7947 4.0959 4.0959 4.0996 4.0996 8.9472 8.9472 8.9581 8.9581 9.2216 9.2216 9.2308 9.2308 11.5431 11.5432 k =-0.0588 0.0363 0.5361 ( 4946 PWs) bands (ev): -13.0598 -13.0598 -13.0594 -13.0594 -10.8255 -10.8255 -10.8247 -10.8247 -9.7958 -9.7958 -9.7943 -9.7943 -4.8100 -4.8100 -4.8070 -4.8070 -1.4679 -1.4679 -1.4640 -1.4640 -0.2051 -0.2051 -0.1936 -0.1936 0.1863 0.1863 0.1921 0.1921 1.2308 1.2308 1.2354 1.2354 2.2595 2.2595 2.2631 2.2631 3.2708 3.2708 3.2737 3.2737 3.7539 3.7539 3.7617 3.7617 4.1137 4.1137 4.1178 4.1178 8.9577 8.9577 8.9721 8.9721 9.2273 9.2273 9.2394 9.2394 11.5456 11.5456 k =-0.0735 0.0454 0.5361 ( 4944 PWs) bands (ev): -13.0558 -13.0558 -13.0553 -13.0553 -10.8349 -10.8349 -10.8340 -10.8340 -9.7958 -9.7958 -9.7940 -9.7940 -4.7977 -4.7977 -4.7940 -4.7940 -1.4771 -1.4771 -1.4724 -1.4724 -0.2003 -0.2003 -0.1865 -0.1865 0.1976 0.1976 0.2045 0.2045 1.2223 1.2223 1.2281 1.2281 2.2640 2.2640 2.2687 2.2687 3.2635 3.2635 3.2671 3.2671 3.7164 3.7164 3.7252 3.7252 4.1312 4.1312 4.1354 4.1354 8.9705 8.9705 8.9882 8.9882 9.2360 9.2360 9.2510 9.2510 11.5486 11.5486 k =-0.0882 0.0544 0.5361 ( 4952 PWs) bands (ev): -13.0510 -13.0510 -13.0504 -13.0504 -10.8462 -10.8462 -10.8451 -10.8451 -9.7958 -9.7958 -9.7937 -9.7937 -4.7827 -4.7827 -4.7784 -4.7784 -1.4881 -1.4881 -1.4827 -1.4827 -0.1940 -0.1940 -0.1781 -0.1781 0.2115 0.2115 0.2194 0.2194 1.2122 1.2122 1.2192 1.2192 2.2688 2.2688 2.2746 2.2746 3.2545 3.2545 3.2590 3.2590 3.6772 3.6772 3.6870 3.6870 4.1472 4.1472 4.1515 4.1515 8.9847 8.9847 9.0053 9.0053 9.2487 9.2487 9.2661 9.2661 11.5518 11.5518 k =-0.1029 0.0635 0.5361 ( 4952 PWs) bands (ev): -13.0452 -13.0452 -13.0446 -13.0446 -10.8593 -10.8593 -10.8580 -10.8580 -9.7958 -9.7958 -9.7934 -9.7934 -4.7651 -4.7651 -4.7602 -4.7602 -1.5009 -1.5009 -1.4949 -1.4949 -0.1862 -0.1862 -0.1685 -0.1685 0.2279 0.2279 0.2365 0.2365 1.2004 1.2004 1.2087 1.2087 2.2736 2.2736 2.2805 2.2805 3.2442 3.2442 3.2495 3.2495 3.6376 3.6376 3.6482 3.6482 4.1612 4.1612 4.1655 4.1655 8.9994 8.9994 9.0221 9.0221 9.2661 9.2661 9.2854 9.2854 11.5551 11.5551 k =-0.1176 0.0726 0.5361 ( 4948 PWs) bands (ev): -13.0387 -13.0387 -13.0379 -13.0379 -10.8741 -10.8741 -10.8726 -10.8726 -9.7959 -9.7959 -9.7933 -9.7933 -4.7450 -4.7450 -4.7395 -4.7395 -1.5153 -1.5153 -1.5088 -1.5088 -0.1769 -0.1769 -0.1577 -0.1577 0.2466 0.2466 0.2559 0.2559 1.1870 1.1870 1.1965 1.1965 2.2778 2.2778 2.2860 2.2860 3.2325 3.2325 3.2387 3.2387 3.5985 3.5985 3.6098 3.6098 4.1728 4.1728 4.1771 4.1771 9.0136 9.0136 9.0375 9.0375 9.2892 9.2892 9.3096 9.3096 11.5579 11.5579 k =-0.1324 0.0817 0.5361 ( 4960 PWs) bands (ev): -13.0314 -13.0314 -13.0306 -13.0306 -10.8904 -10.8904 -10.8888 -10.8888 -9.7960 -9.7960 -9.7932 -9.7932 -4.7225 -4.7225 -4.7164 -4.7164 -1.5313 -1.5313 -1.5243 -1.5243 -0.1660 -0.1660 -0.1458 -0.1458 0.2676 0.2676 0.2774 0.2774 1.1720 1.1720 1.1829 1.1829 2.2808 2.2808 2.2903 2.2903 3.2197 3.2197 3.2268 3.2268 3.5607 3.5607 3.5726 3.5726 4.1819 4.1819 4.1861 4.1861 9.0266 9.0266 9.0508 9.0508 9.3182 9.3182 9.3389 9.3389 11.5600 11.5601 k =-0.1471 0.0907 0.5361 ( 4952 PWs) bands (ev): -13.0234 -13.0234 -13.0224 -13.0224 -10.9080 -10.9080 -10.9064 -10.9064 -9.7962 -9.7962 -9.7932 -9.7932 -4.6978 -4.6978 -4.6911 -4.6911 -1.5488 -1.5488 -1.5415 -1.5415 -0.1537 -0.1537 -0.1327 -0.1327 0.2907 0.2907 0.3010 0.3010 1.1555 1.1555 1.1677 1.1677 2.2821 2.2821 2.2930 2.2930 3.2062 3.2062 3.2143 3.2143 3.5248 3.5248 3.5371 3.5371 4.1884 4.1884 4.1925 4.1925 9.0381 9.0381 9.0616 9.0616 9.3531 9.3531 9.3735 9.3735 11.5611 11.5611 k =-0.1618 0.0998 0.5361 ( 4934 PWs) bands (ev): -13.0146 -13.0146 -13.0136 -13.0136 -10.9270 -10.9270 -10.9252 -10.9252 -9.7965 -9.7965 -9.7933 -9.7933 -4.6709 -4.6709 -4.6638 -4.6638 -1.5676 -1.5676 -1.5601 -1.5601 -0.1400 -0.1400 -0.1184 -0.1184 0.3158 0.3158 0.3265 0.3265 1.1374 1.1374 1.1511 1.1511 2.2810 2.2810 2.2933 2.2933 3.1924 3.1924 3.2015 3.2015 3.4914 3.4914 3.5039 3.5039 4.1923 4.1923 4.1964 4.1964 9.0477 9.0477 9.0701 9.0701 9.3933 9.3933 9.4132 9.4132 11.5608 11.5608 k =-0.1765 0.1089 0.5361 ( 4938 PWs) bands (ev): -13.0052 -13.0052 -13.0041 -13.0041 -10.9470 -10.9470 -10.9452 -10.9452 -9.7968 -9.7968 -9.7936 -9.7936 -4.6420 -4.6420 -4.6345 -4.6345 -1.5877 -1.5877 -1.5801 -1.5801 -0.1249 -0.1249 -0.1031 -0.1031 0.3429 0.3429 0.3539 0.3539 1.1178 1.1178 1.1330 1.1330 2.2770 2.2770 2.2907 2.2907 3.1789 3.1789 3.1890 3.1890 3.4607 3.4607 3.4733 3.4733 4.1937 4.1937 4.1978 4.1978 9.0557 9.0557 9.0765 9.0765 9.4381 9.4381 9.4574 9.4574 11.5587 11.5587 k =-0.1912 0.1180 0.5361 ( 4942 PWs) bands (ev): -12.9952 -12.9952 -12.9940 -12.9940 -10.9680 -10.9680 -10.9661 -10.9661 -9.7973 -9.7973 -9.7940 -9.7940 -4.6114 -4.6114 -4.6034 -4.6034 -1.6089 -1.6089 -1.6013 -1.6013 -0.1086 -0.1086 -0.0868 -0.0868 0.3716 0.3716 0.3830 0.3830 1.0968 1.0968 1.1135 1.1135 2.2696 2.2696 2.2846 2.2846 3.1664 3.1664 3.1773 3.1773 3.4329 3.4329 3.4454 3.4454 4.1927 4.1927 4.1968 4.1968 9.0622 9.0622 9.0814 9.0814 9.4867 9.4867 9.5056 9.5056 11.5547 11.5547 k =-0.2059 0.1270 0.5361 ( 4946 PWs) bands (ev): -12.9846 -12.9846 -12.9834 -12.9834 -10.9898 -10.9898 -10.9878 -10.9878 -9.7979 -9.7979 -9.7945 -9.7945 -4.5791 -4.5791 -4.5709 -4.5709 -1.6311 -1.6311 -1.6236 -1.6236 -0.0911 -0.0911 -0.0695 -0.0695 0.4020 0.4020 0.4137 0.4137 1.0743 1.0743 1.0927 1.0927 2.2584 2.2584 2.2748 2.2748 3.1553 3.1553 3.1668 3.1668 3.4083 3.4083 3.4203 3.4203 4.1894 4.1894 4.1935 4.1935 9.0675 9.0675 9.0851 9.0851 9.5384 9.5384 9.5571 9.5571 11.5486 11.5486 k =-0.2206 0.1361 0.5361 ( 4950 PWs) bands (ev): -12.9736 -12.9736 -12.9723 -12.9723 -11.0122 -11.0122 -11.0102 -11.0102 -9.7986 -9.7986 -9.7952 -9.7952 -4.5455 -4.5455 -4.5369 -4.5369 -1.6542 -1.6542 -1.6468 -1.6468 -0.0726 -0.0726 -0.0513 -0.0513 0.4337 0.4337 0.4459 0.4459 1.0505 1.0505 1.0705 1.0705 2.2434 2.2434 2.2609 2.2609 3.1460 3.1460 3.1579 3.1579 3.3869 3.3869 3.3983 3.3983 4.1839 4.1839 4.1882 4.1882 9.0718 9.0718 9.0878 9.0878 9.5924 9.5924 9.6114 9.6114 11.5401 11.5401 k =-0.2353 0.1452 0.5361 ( 4950 PWs) bands (ev): -12.9622 -12.9622 -12.9609 -12.9609 -11.0350 -11.0350 -11.0330 -11.0330 -9.7993 -9.7993 -9.7960 -9.7960 -4.5106 -4.5106 -4.5019 -4.5019 -1.6780 -1.6780 -1.6708 -1.6708 -0.0530 -0.0530 -0.0321 -0.0321 0.4666 0.4666 0.4795 0.4795 1.0253 1.0253 1.0471 1.0471 2.2245 2.2245 2.2431 2.2431 3.1384 3.1384 3.1503 3.1503 3.3689 3.3689 3.3795 3.3795 4.1766 4.1766 4.1809 4.1809 9.0752 9.0752 9.0899 9.0899 9.6483 9.6483 9.6678 9.6678 11.5292 11.5292 k =-0.2500 0.1543 0.5361 ( 4954 PWs) bands (ev): -12.9504 -12.9504 -12.9491 -12.9491 -11.0581 -11.0581 -11.0561 -11.0561 -9.8002 -9.8002 -9.7969 -9.7969 -4.4749 -4.4749 -4.4660 -4.4660 -1.7024 -1.7024 -1.6954 -1.6954 -0.0325 -0.0325 -0.0122 -0.0122 0.5004 0.5004 0.5142 0.5142 0.9989 0.9989 1.0224 1.0224 2.2021 2.2021 2.2217 2.2217 3.1321 3.1321 3.1438 3.1438 3.3547 3.3547 3.3642 3.3642 4.1674 4.1674 4.1718 4.1718 9.0781 9.0781 9.0915 9.0915 9.7055 9.7055 9.7257 9.7257 11.5159 11.5159 k =-0.2647 0.1633 0.5361 ( 4962 PWs) bands (ev): -12.9384 -12.9384 -12.9371 -12.9371 -11.0812 -11.0812 -11.0792 -11.0792 -9.8012 -9.8012 -9.7980 -9.7980 -4.4384 -4.4384 -4.4294 -4.4294 -1.7272 -1.7272 -1.7205 -1.7205 -0.0112 -0.0112 0.0085 0.0085 0.5349 0.5349 0.5498 0.5498 0.9713 0.9713 0.9968 0.9968 2.1768 2.1768 2.1971 2.1971 3.1264 3.1264 3.1374 3.1374 3.3447 3.3447 3.3530 3.3530 4.1566 4.1566 4.1611 4.1611 9.0805 9.0805 9.0928 9.0928 9.7636 9.7636 9.7847 9.7847 11.5002 11.5002 k =-0.2794 0.1724 0.5361 ( 4970 PWs) bands (ev): -12.9263 -12.9263 -12.9249 -12.9249 -11.1043 -11.1043 -11.1023 -11.1023 -9.8022 -9.8022 -9.7991 -9.7991 -4.4015 -4.4015 -4.3925 -4.3925 -1.7522 -1.7522 -1.7458 -1.7458 0.0108 0.0108 0.0300 0.0300 0.5695 0.5695 0.5860 0.5860 0.9428 0.9428 0.9704 0.9704 2.1489 2.1489 2.1700 2.1700 3.1203 3.1203 3.1306 3.1306 3.3393 3.3393 3.3464 3.3464 4.1443 4.1443 4.1491 4.1491 9.0826 9.0826 9.0938 9.0938 9.8223 9.8223 9.8444 9.8444 11.4820 11.4820 k =-0.2941 0.1815 0.5361 ( 4970 PWs) bands (ev): -12.9141 -12.9141 -12.9127 -12.9127 -11.1271 -11.1271 -11.1251 -11.1251 -9.8033 -9.8033 -9.8003 -9.8003 -4.3645 -4.3645 -4.3556 -4.3556 -1.7773 -1.7773 -1.7712 -1.7712 0.0336 0.0336 0.0522 0.0522 0.6038 0.6038 0.6224 0.6224 0.9136 0.9136 0.9435 0.9435 2.1194 2.1194 2.1409 2.1409 3.1130 3.1130 3.1225 3.1225 3.3387 3.3387 3.3448 3.3448 4.1309 4.1309 4.1358 4.1358 9.0844 9.0844 9.0946 9.0946 9.8812 9.8812 9.9043 9.9043 11.4613 11.4613 k =-0.3088 0.1906 0.5361 ( 4970 PWs) bands (ev): -12.9020 -12.9020 -12.9006 -12.9006 -11.1494 -11.1494 -11.1475 -11.1475 -9.8045 -9.8045 -9.8016 -9.8016 -4.3277 -4.3277 -4.3189 -4.3189 -1.8022 -1.8022 -1.7964 -1.7964 0.0570 0.0570 0.0751 0.0751 0.6369 0.6369 0.6582 0.6582 0.8843 0.8843 0.9170 0.9170 2.0887 2.0887 2.1106 2.1106 3.1039 3.1039 3.1127 3.1127 3.3427 3.3427 3.3483 3.3483 4.1164 4.1164 4.1214 4.1214 9.0860 9.0860 9.0953 9.0953 9.9400 9.9400 9.9642 9.9642 11.4382 11.4382 k =-0.3235 0.1996 0.5361 ( 4974 PWs) bands (ev): -12.8900 -12.8900 -12.8887 -12.8887 -11.1711 -11.1711 -11.1692 -11.1692 -9.8056 -9.8056 -9.8029 -9.8029 -4.2914 -4.2914 -4.2829 -4.2829 -1.8268 -1.8268 -1.8213 -1.8213 0.0810 0.0810 0.0987 0.0987 0.6671 0.6671 0.6923 0.6923 0.8559 0.8559 0.8920 0.8920 2.0577 2.0577 2.0796 2.0796 3.0931 3.0931 3.1014 3.1014 3.3509 3.3509 3.3563 3.3563 4.1011 4.1011 4.1062 4.1062 9.0874 9.0874 9.0959 9.0959 9.9985 9.9985 10.0236 10.0236 11.4128 11.4128 k =-0.3382 0.2087 0.5361 ( 4974 PWs) bands (ev): -12.8783 -12.8783 -12.8771 -12.8771 -11.1919 -11.1919 -11.1901 -11.1901 -9.8067 -9.8067 -9.8042 -9.8042 -4.2560 -4.2560 -4.2477 -4.2477 -1.8508 -1.8508 -1.8457 -1.8457 0.1056 0.1056 0.1230 0.1230 0.6914 0.6914 0.7214 0.7214 0.8316 0.8316 0.8714 0.8714 2.0268 2.0268 2.0487 2.0487 3.0808 3.0808 3.0886 3.0886 3.3626 3.3626 3.3681 3.3681 4.0851 4.0851 4.0903 4.0903 9.0887 9.0887 9.0965 9.0965 10.0563 10.0563 10.0824 10.0824 11.3851 11.3851 k =-0.3529 0.2178 0.5361 ( 4976 PWs) bands (ev): -12.8671 -12.8671 -12.8659 -12.8659 -11.2117 -11.2117 -11.2100 -11.2100 -9.8079 -9.8079 -9.8055 -9.8055 -4.2218 -4.2218 -4.2139 -4.2139 -1.8739 -1.8739 -1.8692 -1.8692 0.1308 0.1308 0.1480 0.1480 0.7042 0.7042 0.7358 0.7358 0.8212 0.8212 0.8602 0.8602 1.9966 1.9966 2.0182 2.0182 3.0675 3.0675 3.0749 3.0749 3.3770 3.3770 3.3827 3.3827 4.0688 4.0688 4.0740 4.0740 9.0900 9.0900 9.0969 9.0969 10.1132 10.1132 10.1400 10.1400 11.3553 11.3553 k =-0.3676 0.2269 0.5361 ( 4972 PWs) bands (ev): -12.8564 -12.8564 -12.8553 -12.8553 -11.2303 -11.2303 -11.2287 -11.2287 -9.8089 -9.8089 -9.8068 -9.8068 -4.1892 -4.1892 -4.1818 -4.1818 -1.8960 -1.8960 -1.8917 -1.8917 0.1566 0.1566 0.1737 0.1737 0.7001 0.7001 0.7258 0.7258 0.8343 0.8343 0.8635 0.8635 1.9676 1.9676 1.9886 1.9886 3.0539 3.0539 3.0608 3.0608 3.3934 3.3934 3.3991 3.3991 4.0523 4.0523 4.0575 4.0575 9.0911 9.0911 9.0974 9.0974 10.1688 10.1688 10.1962 10.1962 11.3237 11.3237 k =-0.3824 0.2359 0.5361 ( 4968 PWs) bands (ev): -12.8464 -12.8464 -12.8453 -12.8453 -11.2475 -11.2475 -11.2461 -11.2461 -9.8099 -9.8099 -9.8080 -9.8080 -4.1586 -4.1586 -4.1517 -4.1517 -1.9168 -1.9168 -1.9128 -1.9128 0.1829 0.1829 0.2001 0.2001 0.6809 0.6809 0.7021 0.7021 0.8598 0.8598 0.8793 0.8793 1.9404 1.9404 1.9605 1.9605 3.0403 3.0403 3.0466 3.0466 3.4109 3.4109 3.4165 3.4165 4.0360 4.0360 4.0410 4.0410 9.0922 9.0922 9.0978 9.0978 10.2229 10.2229 10.2506 10.2506 11.2908 11.2908 k =-0.3971 0.2450 0.5361 ( 4982 PWs) bands (ev): -12.8371 -12.8371 -12.8362 -12.8362 -11.2632 -11.2632 -11.2619 -11.2619 -9.8109 -9.8109 -9.8092 -9.8092 -4.1303 -4.1303 -4.1241 -4.1241 -1.9359 -1.9359 -1.9324 -1.9324 0.2098 0.2098 0.2272 0.2272 0.6533 0.6533 0.6736 0.6736 0.8876 0.8876 0.9013 0.9013 1.9152 1.9152 1.9340 1.9340 3.0272 3.0272 3.0329 3.0329 3.4288 3.4288 3.4342 3.4342 4.0201 4.0201 4.0249 4.0249 9.0933 9.0933 9.0981 9.0981 10.2750 10.2750 10.3026 10.3026 11.2573 11.2573 k =-0.4118 0.2541 0.5361 ( 4982 PWs) bands (ev): -12.8288 -12.8288 -12.8280 -12.8280 -11.2771 -11.2771 -11.2760 -11.2760 -9.8117 -9.8117 -9.8102 -9.8102 -4.1048 -4.1048 -4.0993 -4.0993 -1.9532 -1.9532 -1.9501 -1.9501 0.2373 0.2373 0.2549 0.2549 0.6222 0.6222 0.6426 0.6426 0.9146 0.9146 0.9251 0.9251 1.8925 1.8925 1.9097 1.9097 3.0151 3.0151 3.0201 3.0201 3.4464 3.4464 3.4514 3.4514 4.0050 4.0050 4.0095 4.0095 9.0942 9.0942 9.0983 9.0983 10.3245 10.3245 10.3514 10.3514 11.2240 11.2240 k =-0.4265 0.2632 0.5361 ( 4982 PWs) bands (ev): -12.8215 -12.8215 -12.8208 -12.8208 -11.2891 -11.2891 -11.2882 -11.2882 -9.8124 -9.8124 -9.8112 -9.8112 -4.0823 -4.0823 -4.0776 -4.0776 -1.9683 -1.9683 -1.9657 -1.9657 0.2654 0.2654 0.2832 0.2832 0.5897 0.5897 0.6104 0.6104 0.9394 0.9394 0.9477 0.9477 1.8727 1.8727 1.8879 1.8879 3.0043 3.0043 3.0086 3.0086 3.4630 3.4630 3.4675 3.4675 3.9911 3.9911 3.9952 3.9952 9.0951 9.0951 9.0985 9.0985 10.3707 10.3707 10.3962 10.3962 11.1921 11.1921 k =-0.4412 0.2722 0.5361 ( 4992 PWs) bands (ev): -12.8154 -12.8154 -12.8148 -12.8148 -11.2992 -11.2992 -11.2984 -11.2984 -9.8130 -9.8130 -9.8120 -9.8120 -4.0634 -4.0634 -4.0595 -4.0595 -1.9810 -1.9810 -1.9789 -1.9789 0.2939 0.2939 0.3120 0.3120 0.5570 0.5570 0.5778 0.5778 0.9610 0.9610 0.9678 0.9678 1.8561 1.8561 1.8689 1.8689 2.9951 2.9951 2.9986 2.9986 3.4780 3.4780 3.4818 3.4818 3.9789 3.9789 3.9825 3.9825 9.0959 9.0959 9.0987 9.0987 10.4127 10.4127 10.4357 10.4357 11.1630 11.1630 k =-0.4559 0.2813 0.5361 ( 4996 PWs) bands (ev): -12.8105 -12.8105 -12.8100 -12.8100 -11.3071 -11.3071 -11.3065 -11.3065 -9.8134 -9.8134 -9.8127 -9.8127 -4.0481 -4.0481 -4.0452 -4.0452 -1.9911 -1.9911 -1.9895 -1.9895 0.3227 0.3227 0.3410 0.3410 0.5248 0.5248 0.5452 0.5452 0.9789 0.9789 0.9841 0.9841 1.8432 1.8432 1.8533 1.8533 2.9877 2.9877 2.9904 2.9904 3.4906 3.4906 3.4936 3.4936 3.9688 3.9688 3.9717 3.9717 9.0966 9.0966 9.0987 9.0987 10.4491 10.4491 10.4684 10.4684 11.1384 11.1384 k =-0.4706 0.2904 0.5361 ( 4996 PWs) bands (ev): -12.8069 -12.8069 -12.8066 -12.8066 -11.3128 -11.3128 -11.3124 -11.3124 -9.8137 -9.8137 -9.8132 -9.8132 -4.0369 -4.0369 -4.0349 -4.0349 -1.9984 -1.9984 -1.9973 -1.9973 0.3515 0.3515 0.3692 0.3692 0.4942 0.4942 0.5134 0.5134 0.9925 0.9925 0.9960 0.9960 1.8343 1.8343 1.8412 1.8412 2.9825 2.9825 2.9843 2.9843 3.5003 3.5003 3.5024 3.5024 3.9614 3.9614 3.9633 3.9633 9.0973 9.0973 9.0986 9.0986 10.4784 10.4784 10.4925 10.4925 11.1204 11.1204 k =-0.4853 0.2995 0.5361 ( 4988 PWs) bands (ev): -12.8047 -12.8047 -12.8046 -12.8046 -11.3162 -11.3162 -11.3160 -11.3160 -9.8138 -9.8138 -9.8135 -9.8135 -4.0299 -4.0299 -4.0289 -4.0289 -2.0027 -2.0027 -2.0022 -2.0022 0.3789 0.3789 0.3932 0.3932 0.4689 0.4689 0.4841 0.4841 1.0012 1.0012 1.0030 1.0030 1.8296 1.8296 1.8331 1.8331 2.9794 2.9794 2.9803 2.9803 3.5066 3.5066 3.5077 3.5077 3.9569 3.9569 3.9579 3.9579 9.0978 9.0978 9.0984 9.0984 10.4986 10.4986 10.5062 10.5062 11.1108 11.1108 k =-0.5000 0.3085 0.5361 ( 4976 PWs) bands (ev): -12.8039 -12.8039 -12.8039 -12.8039 -11.3173 -11.3173 -11.3173 -11.3173 -9.8138 -9.8138 -9.8138 -9.8138 -4.0272 -4.0272 -4.0272 -4.0272 -2.0040 -2.0040 -2.0040 -2.0040 0.3986 0.3986 0.3986 0.3986 0.4634 0.4634 0.4634 0.4634 1.0048 1.0048 1.0048 1.0048 1.8292 1.8292 1.8292 1.8292 2.9787 2.9787 2.9787 2.9787 3.5091 3.5091 3.5091 3.5091 3.9558 3.9558 3.9558 3.9558 9.0982 9.0982 9.0982 9.0982 10.5082 10.5082 10.5082 10.5082 11.1108 11.1108 Writing output data file Ge2N2O.save init_run : 2.27s CPU 11.19s WALL ( 1 calls) electrons : 1105.70s CPU 1115.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.37s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 1105.67s CPU 1115.20s WALL ( 1 calls) v_of_rho : 0.20s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.19s CPU 0.62s WALL ( 1 calls) newd : 0.27s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 354 calls) cegterg : 1026.32s CPU 1032.61s WALL ( 1180 calls) Called by sum_band: Called by *egterg: h_psi : 367.62s CPU 378.72s WALL ( 21981 calls) s_psi : 28.68s CPU 29.71s WALL ( 21981 calls) g_psi : 1.02s CPU 1.09s WALL ( 20447 calls) cdiaghg : 466.99s CPU 461.89s WALL ( 20801 calls) cegterg:over : 87.72s CPU 85.24s WALL ( 20447 calls) cegterg:upda : 20.06s CPU 25.85s WALL ( 20447 calls) cegterg:last : 17.12s CPU 18.00s WALL ( 2589 calls) Called by h_psi: h_psi:vloc : 286.14s CPU 296.26s WALL ( 21981 calls) h_psi:vnl : 80.97s CPU 81.21s WALL ( 21981 calls) add_vuspsi : 21.89s CPU 26.80s WALL ( 21981 calls) General routines calbec : 59.01s CPU 54.24s WALL ( 21981 calls) fft : 0.38s CPU 1.05s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 268.52s CPU 276.24s WALL ( 1684232 calls) interpolate : 0.05s CPU 0.05s WALL ( 4 calls) davcio : 0.04s CPU 3.30s WALL ( 708 calls) Parallel routines fft_scatter : 169.42s CPU 178.27s WALL ( 1684255 calls) PWSCF : 19m44.89s CPU 27m36.80s WALL This run was terminated on: 17:44: 3 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=