Program PWSCF v.5.1.1 starts on 29Nov2015 at 16:39: 5 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: ./Si2N2O.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 46 27 7 1632 711 111 Max 47 28 8 1637 732 116 Sum 2245 1307 379 78497 34773 5463 bravais-lattice index = 14 lattice parameter (alat) = 9.8595 a.u. unit-cell volume = 796.5992 (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)= 9.859451 celldm(2)= 1.000000 celldm(3)= 0.928892 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446507 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446507 0.894780 0.000000 ) a(3) = ( 0.000000 0.000000 0.928892 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.499013 -0.000000 ) b(2) = ( 0.000000 1.117593 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076551 ) PseudoPot. # 1 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. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( 0.4644461 ) 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= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086415 0.0139699 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172830 0.0279398 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259245 0.0419097 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345660 0.0558797 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432075 0.0698496 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518490 0.0838195 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604905 0.0977894 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691320 0.1117593 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777735 0.1257292 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864150 0.1396991 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950566 0.1536691 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1036981 0.1676390 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123396 0.1816089 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1209811 0.1955788 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296226 0.2095487 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382641 0.2235186 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469056 0.2374885 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555471 0.2514585 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1641886 0.2654284 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728301 0.2793983 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1814716 0.2933682 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901131 0.3073381 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1987546 0.3213080 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2073961 0.3352779 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2160376 0.3492478 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2246791 0.3632178 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333206 0.3771877 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2419621 0.3911576 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506037 0.4051275 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2592452 0.4190974 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2678867 0.4330673 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2765282 0.4470373 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2851697 0.4610072 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2938112 0.4749771 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3024527 0.4889470 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3110942 0.5029169 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3197357 0.5168868 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3283772 0.5308567 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3370187 0.5448267 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3456602 0.5587966 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3456602 0.5587966 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3292002 0.5587966 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3127402 0.5587966 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2962802 0.5587966 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2798202 0.5587966 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2633602 0.5587966 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469002 0.5587966 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2304401 0.5587966 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2139801 0.5587966 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975201 0.5587966 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1810601 0.5587966 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646001 0.5587966 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481401 0.5587966 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1316801 0.5587966 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152201 0.5587966 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987601 0.5587966 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823000 0.5587966 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658400 0.5587966 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493800 0.5587966 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329200 0.5587966 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164600 0.5587966 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5587966 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5587966 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5587966 0.0163114), wk = 0.0026738 k( 66) = ( 0.0000000 0.5587966 0.0326228), wk = 0.0026738 k( 67) = ( 0.0000000 0.5587966 0.0489341), wk = 0.0026738 k( 68) = ( 0.0000000 0.5587966 0.0652455), wk = 0.0026738 k( 69) = ( 0.0000000 0.5587966 0.0815569), wk = 0.0026738 k( 70) = ( 0.0000000 0.5587966 0.0978683), wk = 0.0026738 k( 71) = ( 0.0000000 0.5587966 0.1141797), wk = 0.0026738 k( 72) = ( 0.0000000 0.5587966 0.1304910), wk = 0.0026738 k( 73) = ( 0.0000000 0.5587966 0.1468024), wk = 0.0026738 k( 74) = ( 0.0000000 0.5587966 0.1631138), wk = 0.0026738 k( 75) = ( 0.0000000 0.5587966 0.1794252), wk = 0.0026738 k( 76) = ( 0.0000000 0.5587966 0.1957366), wk = 0.0026738 k( 77) = ( 0.0000000 0.5587966 0.2120479), wk = 0.0026738 k( 78) = ( 0.0000000 0.5587966 0.2283593), wk = 0.0026738 k( 79) = ( 0.0000000 0.5587966 0.2446707), wk = 0.0026738 k( 80) = ( 0.0000000 0.5587966 0.2609821), wk = 0.0026738 k( 81) = ( 0.0000000 0.5587966 0.2772935), wk = 0.0026738 k( 82) = ( 0.0000000 0.5587966 0.2936048), wk = 0.0026738 k( 83) = ( 0.0000000 0.5587966 0.3099162), wk = 0.0026738 k( 84) = ( 0.0000000 0.5587966 0.3262276), wk = 0.0026738 k( 85) = ( 0.0000000 0.5587966 0.3425390), wk = 0.0026738 k( 86) = ( 0.0000000 0.5587966 0.3588504), wk = 0.0026738 k( 87) = ( 0.0000000 0.5587966 0.3751618), wk = 0.0026738 k( 88) = ( 0.0000000 0.5587966 0.3914731), wk = 0.0026738 k( 89) = ( 0.0000000 0.5587966 0.4077845), wk = 0.0026738 k( 90) = ( 0.0000000 0.5587966 0.4240959), wk = 0.0026738 k( 91) = ( 0.0000000 0.5587966 0.4404073), wk = 0.0026738 k( 92) = ( 0.0000000 0.5587966 0.4567186), wk = 0.0026738 k( 93) = ( 0.0000000 0.5587966 0.4730300), wk = 0.0026738 k( 94) = ( 0.0000000 0.5587966 0.4893414), wk = 0.0026738 k( 95) = ( 0.0000000 0.5587966 0.5056528), wk = 0.0026738 k( 96) = ( 0.0000000 0.5587966 0.5219642), wk = 0.0026738 k( 97) = ( 0.0000000 0.5587966 0.5382756), wk = 0.0026738 k( 98) = ( 0.0000000 0.5587966 0.5382756), wk = 0.0026738 k( 99) = ( 0.0164600 0.5587966 0.5382756), wk = 0.0026738 k( 100) = ( 0.0329200 0.5587966 0.5382756), wk = 0.0026738 k( 101) = ( 0.0493800 0.5587966 0.5382756), wk = 0.0026738 k( 102) = ( 0.0658400 0.5587966 0.5382756), wk = 0.0026738 k( 103) = ( 0.0823000 0.5587966 0.5382756), wk = 0.0026738 k( 104) = ( 0.0987601 0.5587966 0.5382756), wk = 0.0026738 k( 105) = ( 0.1152201 0.5587966 0.5382756), wk = 0.0026738 k( 106) = ( 0.1316801 0.5587966 0.5382756), wk = 0.0026738 k( 107) = ( 0.1481401 0.5587966 0.5382756), wk = 0.0026738 k( 108) = ( 0.1646001 0.5587966 0.5382756), wk = 0.0026738 k( 109) = ( 0.1810601 0.5587966 0.5382756), wk = 0.0026738 k( 110) = ( 0.1975201 0.5587966 0.5382756), wk = 0.0026738 k( 111) = ( 0.2139801 0.5587966 0.5382756), wk = 0.0026738 k( 112) = ( 0.2304401 0.5587966 0.5382756), wk = 0.0026738 k( 113) = ( 0.2469002 0.5587966 0.5382756), wk = 0.0026738 k( 114) = ( 0.2633602 0.5587966 0.5382756), wk = 0.0026738 k( 115) = ( 0.2798202 0.5587966 0.5382756), wk = 0.0026738 k( 116) = ( 0.2962802 0.5587966 0.5382756), wk = 0.0026738 k( 117) = ( 0.3127402 0.5587966 0.5382756), wk = 0.0026738 k( 118) = ( 0.3292002 0.5587966 0.5382756), wk = 0.0026738 k( 119) = ( 0.3456602 0.5587966 0.5382756), wk = 0.0026738 k( 120) = ( 0.3456602 0.5587966 0.5382756), wk = 0.0026738 k( 121) = ( 0.3370187 0.5448267 0.5382756), wk = 0.0026738 k( 122) = ( 0.3283772 0.5308567 0.5382756), wk = 0.0026738 k( 123) = ( 0.3197357 0.5168868 0.5382756), wk = 0.0026738 k( 124) = ( 0.3110942 0.5029169 0.5382756), wk = 0.0026738 k( 125) = ( 0.3024527 0.4889470 0.5382756), wk = 0.0026738 k( 126) = ( 0.2938112 0.4749771 0.5382756), wk = 0.0026738 k( 127) = ( 0.2851697 0.4610072 0.5382756), wk = 0.0026738 k( 128) = ( 0.2765282 0.4470373 0.5382756), wk = 0.0026738 k( 129) = ( 0.2678867 0.4330673 0.5382756), wk = 0.0026738 k( 130) = ( 0.2592452 0.4190974 0.5382756), wk = 0.0026738 k( 131) = ( 0.2506037 0.4051275 0.5382756), wk = 0.0026738 k( 132) = ( 0.2419621 0.3911576 0.5382756), wk = 0.0026738 k( 133) = ( 0.2333206 0.3771877 0.5382756), wk = 0.0026738 k( 134) = ( 0.2246791 0.3632178 0.5382756), wk = 0.0026738 k( 135) = ( 0.2160376 0.3492478 0.5382756), wk = 0.0026738 k( 136) = ( 0.2073961 0.3352779 0.5382756), wk = 0.0026738 k( 137) = ( 0.1987546 0.3213080 0.5382756), wk = 0.0026738 k( 138) = ( 0.1901131 0.3073381 0.5382756), wk = 0.0026738 k( 139) = ( 0.1814716 0.2933682 0.5382756), wk = 0.0026738 k( 140) = ( 0.1728301 0.2793983 0.5382756), wk = 0.0026738 k( 141) = ( 0.1641886 0.2654284 0.5382756), wk = 0.0026738 k( 142) = ( 0.1555471 0.2514585 0.5382756), wk = 0.0026738 k( 143) = ( 0.1469056 0.2374885 0.5382756), wk = 0.0026738 k( 144) = ( 0.1382641 0.2235186 0.5382756), wk = 0.0026738 k( 145) = ( 0.1296226 0.2095487 0.5382756), wk = 0.0026738 k( 146) = ( 0.1209811 0.1955788 0.5382756), wk = 0.0026738 k( 147) = ( 0.1123396 0.1816089 0.5382756), wk = 0.0026738 k( 148) = ( 0.1036981 0.1676390 0.5382756), wk = 0.0026738 k( 149) = ( 0.0950566 0.1536691 0.5382756), wk = 0.0026738 k( 150) = ( 0.0864150 0.1396991 0.5382756), wk = 0.0026738 k( 151) = ( 0.0777735 0.1257292 0.5382756), wk = 0.0026738 k( 152) = ( 0.0691320 0.1117593 0.5382756), wk = 0.0026738 k( 153) = ( 0.0604905 0.0977894 0.5382756), wk = 0.0026738 k( 154) = ( 0.0518490 0.0838195 0.5382756), wk = 0.0026738 k( 155) = ( 0.0432075 0.0698496 0.5382756), wk = 0.0026738 k( 156) = ( 0.0345660 0.0558797 0.5382756), wk = 0.0026738 k( 157) = ( 0.0259245 0.0419097 0.5382756), wk = 0.0026738 k( 158) = ( 0.0172830 0.0279398 0.5382756), wk = 0.0026738 k( 159) = ( 0.0086415 0.0139699 0.5382756), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5382756), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5382756), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5219642), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5056528), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4893414), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4730300), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4567186), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4404073), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4240959), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4077845), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3914731), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3751618), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3588504), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3425390), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3262276), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3099162), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2936048), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2772935), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2609821), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2446707), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2283593), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2120479), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1957366), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1794252), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1631138), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1468024), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304910), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141797), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978683), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815569), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652455), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489341), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326228), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163114), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085914 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171828 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257742 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343655 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429569 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515483 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601397 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687311 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773225 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859138 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945052 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1030966 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1116880 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1202794 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1288708 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1374622 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1460535 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1546449 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1632363 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1718277 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1804191 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1890105 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1976018 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2061932 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2147846 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2233760 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2319674 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2405588 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2491502 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2577415 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2663329 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2749243 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2835157 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2921071 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3006985 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3092899 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3092899 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914256 0.3231513 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828511 0.3370128 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742767 0.3508743 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657023 0.3647358 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571278 0.3785973 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485534 0.3924588 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4399790 0.4063202 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314045 0.4201817 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228301 0.4340432 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142557 0.4479047 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4056812 0.4617662 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971068 0.4756277 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3885324 0.4894891 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3799579 0.5033506 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3713835 0.5172121 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628091 0.5310736 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3542346 0.5449351 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3456602 0.5587966 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3456602 0.5587966 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3456602 0.5587966 0.0163114), wk = 0.0026738 k( 253) = ( -0.3456602 0.5587966 0.0326228), wk = 0.0026738 k( 254) = ( -0.3456602 0.5587966 0.0489341), wk = 0.0026738 k( 255) = ( -0.3456602 0.5587966 0.0652455), wk = 0.0026738 k( 256) = ( -0.3456602 0.5587966 0.0815569), wk = 0.0026738 k( 257) = ( -0.3456602 0.5587966 0.0978683), wk = 0.0026738 k( 258) = ( -0.3456602 0.5587966 0.1141797), wk = 0.0026738 k( 259) = ( -0.3456602 0.5587966 0.1304910), wk = 0.0026738 k( 260) = ( -0.3456602 0.5587966 0.1468024), wk = 0.0026738 k( 261) = ( -0.3456602 0.5587966 0.1631138), wk = 0.0026738 k( 262) = ( -0.3456602 0.5587966 0.1794252), wk = 0.0026738 k( 263) = ( -0.3456602 0.5587966 0.1957366), wk = 0.0026738 k( 264) = ( -0.3456602 0.5587966 0.2120479), wk = 0.0026738 k( 265) = ( -0.3456602 0.5587966 0.2283593), wk = 0.0026738 k( 266) = ( -0.3456602 0.5587966 0.2446707), wk = 0.0026738 k( 267) = ( -0.3456602 0.5587966 0.2609821), wk = 0.0026738 k( 268) = ( -0.3456602 0.5587966 0.2772935), wk = 0.0026738 k( 269) = ( -0.3456602 0.5587966 0.2936048), wk = 0.0026738 k( 270) = ( -0.3456602 0.5587966 0.3099162), wk = 0.0026738 k( 271) = ( -0.3456602 0.5587966 0.3262276), wk = 0.0026738 k( 272) = ( -0.3456602 0.5587966 0.3425390), wk = 0.0026738 k( 273) = ( -0.3456602 0.5587966 0.3588504), wk = 0.0026738 k( 274) = ( -0.3456602 0.5587966 0.3751618), wk = 0.0026738 k( 275) = ( -0.3456602 0.5587966 0.3914731), wk = 0.0026738 k( 276) = ( -0.3456602 0.5587966 0.4077845), wk = 0.0026738 k( 277) = ( -0.3456602 0.5587966 0.4240959), wk = 0.0026738 k( 278) = ( -0.3456602 0.5587966 0.4404073), wk = 0.0026738 k( 279) = ( -0.3456602 0.5587966 0.4567186), wk = 0.0026738 k( 280) = ( -0.3456602 0.5587966 0.4730300), wk = 0.0026738 k( 281) = ( -0.3456602 0.5587966 0.4893414), wk = 0.0026738 k( 282) = ( -0.3456602 0.5587966 0.5056528), wk = 0.0026738 k( 283) = ( -0.3456602 0.5587966 0.5219642), wk = 0.0026738 k( 284) = ( -0.3456602 0.5587966 0.5382756), wk = 0.0026738 k( 285) = ( -0.3456602 0.5587966 0.5382756), wk = 0.0026738 k( 286) = ( -0.3542346 0.5449351 0.5382756), wk = 0.0026738 k( 287) = ( -0.3628091 0.5310736 0.5382756), wk = 0.0026738 k( 288) = ( -0.3713835 0.5172121 0.5382756), wk = 0.0026738 k( 289) = ( -0.3799579 0.5033506 0.5382756), wk = 0.0026738 k( 290) = ( -0.3885324 0.4894891 0.5382756), wk = 0.0026738 k( 291) = ( -0.3971068 0.4756277 0.5382756), wk = 0.0026738 k( 292) = ( -0.4056812 0.4617662 0.5382756), wk = 0.0026738 k( 293) = ( -0.4142557 0.4479047 0.5382756), wk = 0.0026738 k( 294) = ( -0.4228301 0.4340432 0.5382756), wk = 0.0026738 k( 295) = ( -0.4314045 0.4201817 0.5382756), wk = 0.0026738 k( 296) = ( -0.4399790 0.4063202 0.5382756), wk = 0.0026738 k( 297) = ( -0.4485534 0.3924588 0.5382756), wk = 0.0026738 k( 298) = ( -0.4571278 0.3785973 0.5382756), wk = 0.0026738 k( 299) = ( -0.4657023 0.3647358 0.5382756), wk = 0.0026738 k( 300) = ( -0.4742767 0.3508743 0.5382756), wk = 0.0026738 k( 301) = ( -0.4828511 0.3370128 0.5382756), wk = 0.0026738 k( 302) = ( -0.4914256 0.3231513 0.5382756), wk = 0.0026738 k( 303) = ( -0.5000000 0.3092899 0.5382756), wk = 0.0026738 k( 304) = ( -0.5000000 0.3092899 0.5382756), wk = 0.0026738 k( 305) = ( -0.5000000 0.3092899 0.5219642), wk = 0.0026738 k( 306) = ( -0.5000000 0.3092899 0.5056528), wk = 0.0026738 k( 307) = ( -0.5000000 0.3092899 0.4893414), wk = 0.0026738 k( 308) = ( -0.5000000 0.3092899 0.4730300), wk = 0.0026738 k( 309) = ( -0.5000000 0.3092899 0.4567186), wk = 0.0026738 k( 310) = ( -0.5000000 0.3092899 0.4404073), wk = 0.0026738 k( 311) = ( -0.5000000 0.3092899 0.4240959), wk = 0.0026738 k( 312) = ( -0.5000000 0.3092899 0.4077845), wk = 0.0026738 k( 313) = ( -0.5000000 0.3092899 0.3914731), wk = 0.0026738 k( 314) = ( -0.5000000 0.3092899 0.3751618), wk = 0.0026738 k( 315) = ( -0.5000000 0.3092899 0.3588504), wk = 0.0026738 k( 316) = ( -0.5000000 0.3092899 0.3425390), wk = 0.0026738 k( 317) = ( -0.5000000 0.3092899 0.3262276), wk = 0.0026738 k( 318) = ( -0.5000000 0.3092899 0.3099162), wk = 0.0026738 k( 319) = ( -0.5000000 0.3092899 0.2936048), wk = 0.0026738 k( 320) = ( -0.5000000 0.3092899 0.2772935), wk = 0.0026738 k( 321) = ( -0.5000000 0.3092899 0.2609821), wk = 0.0026738 k( 322) = ( -0.5000000 0.3092899 0.2446707), wk = 0.0026738 k( 323) = ( -0.5000000 0.3092899 0.2283593), wk = 0.0026738 k( 324) = ( -0.5000000 0.3092899 0.2120479), wk = 0.0026738 k( 325) = ( -0.5000000 0.3092899 0.1957366), wk = 0.0026738 k( 326) = ( -0.5000000 0.3092899 0.1794252), wk = 0.0026738 k( 327) = ( -0.5000000 0.3092899 0.1631138), wk = 0.0026738 k( 328) = ( -0.5000000 0.3092899 0.1468024), wk = 0.0026738 k( 329) = ( -0.5000000 0.3092899 0.1304910), wk = 0.0026738 k( 330) = ( -0.5000000 0.3092899 0.1141797), wk = 0.0026738 k( 331) = ( -0.5000000 0.3092899 0.0978683), wk = 0.0026738 k( 332) = ( -0.5000000 0.3092899 0.0815569), wk = 0.0026738 k( 333) = ( -0.5000000 0.3092899 0.0652455), wk = 0.0026738 k( 334) = ( -0.5000000 0.3092899 0.0489341), wk = 0.0026738 k( 335) = ( -0.5000000 0.3092899 0.0326228), wk = 0.0026738 k( 336) = ( -0.5000000 0.3092899 0.0163114), wk = 0.0026738 k( 337) = ( -0.5000000 0.3092899 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5382756), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085914 0.5382756), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171828 0.5382756), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257742 0.5382756), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343655 0.5382756), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429569 0.5382756), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515483 0.5382756), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601397 0.5382756), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687311 0.5382756), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773225 0.5382756), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859138 0.5382756), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945052 0.5382756), wk = 0.0026738 k( 350) = ( -0.1666667 0.1030966 0.5382756), wk = 0.0026738 k( 351) = ( -0.1805556 0.1116880 0.5382756), wk = 0.0026738 k( 352) = ( -0.1944444 0.1202794 0.5382756), wk = 0.0026738 k( 353) = ( -0.2083333 0.1288708 0.5382756), wk = 0.0026738 k( 354) = ( -0.2222222 0.1374622 0.5382756), wk = 0.0026738 k( 355) = ( -0.2361111 0.1460535 0.5382756), wk = 0.0026738 k( 356) = ( -0.2500000 0.1546449 0.5382756), wk = 0.0026738 k( 357) = ( -0.2638889 0.1632363 0.5382756), wk = 0.0026738 k( 358) = ( -0.2777778 0.1718277 0.5382756), wk = 0.0026738 k( 359) = ( -0.2916667 0.1804191 0.5382756), wk = 0.0026738 k( 360) = ( -0.3055556 0.1890105 0.5382756), wk = 0.0026738 k( 361) = ( -0.3194444 0.1976018 0.5382756), wk = 0.0026738 k( 362) = ( -0.3333333 0.2061932 0.5382756), wk = 0.0026738 k( 363) = ( -0.3472222 0.2147846 0.5382756), wk = 0.0026738 k( 364) = ( -0.3611111 0.2233760 0.5382756), wk = 0.0026738 k( 365) = ( -0.3750000 0.2319674 0.5382756), wk = 0.0026738 k( 366) = ( -0.3888889 0.2405588 0.5382756), wk = 0.0026738 k( 367) = ( -0.4027778 0.2491502 0.5382756), wk = 0.0026738 k( 368) = ( -0.4166667 0.2577415 0.5382756), wk = 0.0026738 k( 369) = ( -0.4305556 0.2663329 0.5382756), wk = 0.0026738 k( 370) = ( -0.4444444 0.2749243 0.5382756), wk = 0.0026738 k( 371) = ( -0.4583333 0.2835157 0.5382756), wk = 0.0026738 k( 372) = ( -0.4722222 0.2921071 0.5382756), wk = 0.0026738 k( 373) = ( -0.4861111 0.3006985 0.5382756), wk = 0.0026738 k( 374) = ( -0.5000000 0.3092899 0.5382756), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086415 0.0086415 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172830 0.0172830 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259245 0.0259245 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345660 0.0345660 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432075 0.0432075 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518490 0.0518490 0.0000000), wk = 0.0026738 k( 8) = ( 0.0604905 0.0604905 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691320 0.0691320 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777735 0.0777736 0.0000000), wk = 0.0026738 k( 11) = ( 0.0864150 0.0864151 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950566 0.0950566 0.0000000), wk = 0.0026738 k( 13) = ( 0.1036981 0.1036981 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123396 0.1123396 0.0000000), wk = 0.0026738 k( 15) = ( 0.1209811 0.1209811 0.0000000), wk = 0.0026738 k( 16) = ( 0.1296226 0.1296226 0.0000000), wk = 0.0026738 k( 17) = ( 0.1382641 0.1382641 0.0000000), wk = 0.0026738 k( 18) = ( 0.1469056 0.1469056 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555471 0.1555471 0.0000000), wk = 0.0026738 k( 20) = ( 0.1641886 0.1641886 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728301 0.1728301 0.0000000), wk = 0.0026738 k( 22) = ( 0.1814716 0.1814716 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901131 0.1901131 0.0000000), wk = 0.0026738 k( 24) = ( 0.1987546 0.1987546 0.0000000), wk = 0.0026738 k( 25) = ( 0.2073961 0.2073961 0.0000000), wk = 0.0026738 k( 26) = ( 0.2160376 0.2160376 0.0000000), wk = 0.0026738 k( 27) = ( 0.2246791 0.2246791 0.0000000), wk = 0.0026738 k( 28) = ( 0.2333206 0.2333206 0.0000000), wk = 0.0026738 k( 29) = ( 0.2419621 0.2419621 0.0000000), wk = 0.0026738 k( 30) = ( 0.2506037 0.2506037 0.0000000), wk = 0.0026738 k( 31) = ( 0.2592452 0.2592452 0.0000000), wk = 0.0026738 k( 32) = ( 0.2678867 0.2678867 0.0000000), wk = 0.0026738 k( 33) = ( 0.2765282 0.2765282 0.0000000), wk = 0.0026738 k( 34) = ( 0.2851697 0.2851697 0.0000000), wk = 0.0026738 k( 35) = ( 0.2938112 0.2938112 0.0000000), wk = 0.0026738 k( 36) = ( 0.3024527 0.3024527 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3110942 0.3110942 0.0000000), wk = 0.0026738 k( 38) = ( 0.3197357 0.3197357 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3283772 0.3283772 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3370187 0.3370187 0.0000000), wk = 0.0026738 k( 41) = ( 0.3456602 0.3456602 0.0000000), wk = 0.0026738 k( 42) = ( 0.3456602 0.3456602 0.0000000), wk = 0.0026738 k( 43) = ( 0.3292002 0.3530097 0.0000000), wk = 0.0026738 k( 44) = ( 0.3127402 0.3603592 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2962802 0.3677087 0.0000000), wk = 0.0026738 k( 46) = ( 0.2798202 0.3750583 0.0000000), wk = 0.0026738 k( 47) = ( 0.2633602 0.3824078 0.0000000), wk = 0.0026738 k( 48) = ( 0.2469002 0.3897573 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2304401 0.3971068 0.0000000), wk = 0.0026738 k( 50) = ( 0.2139801 0.4044563 0.0000000), wk = 0.0026738 k( 51) = ( 0.1975201 0.4118058 0.0000000), wk = 0.0026738 k( 52) = ( 0.1810601 0.4191554 0.0000000), wk = 0.0026738 k( 53) = ( 0.1646001 0.4265049 0.0000000), wk = 0.0026738 k( 54) = ( 0.1481401 0.4338544 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1316801 0.4412039 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152201 0.4485534 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987601 0.4559029 0.0000000), wk = 0.0026738 k( 58) = ( 0.0823000 0.4632524 0.0000000), wk = 0.0026738 k( 59) = ( 0.0658400 0.4706020 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493800 0.4779515 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329200 0.4853010 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164600 0.4926505 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515152), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164600 0.4926505 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329200 0.4853010 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493800 0.4779515 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658400 0.4706020 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823000 0.4632524 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987601 0.4559029 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152201 0.4485534 0.5000000), wk = 0.0026738 k( 106) = ( 0.1316801 0.4412039 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481401 0.4338544 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646001 0.4265049 0.5000000), wk = 0.0026738 k( 109) = ( 0.1810601 0.4191554 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975201 0.4118058 0.5000000), wk = 0.0026738 k( 111) = ( 0.2139801 0.4044563 0.5000000), wk = 0.0026738 k( 112) = ( 0.2304401 0.3971068 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469002 0.3897573 0.5000000), wk = 0.0026738 k( 114) = ( 0.2633602 0.3824078 0.5000000), wk = 0.0026738 k( 115) = ( 0.2798202 0.3750583 0.5000000), wk = 0.0026738 k( 116) = ( 0.2962802 0.3677087 0.5000000), wk = 0.0026738 k( 117) = ( 0.3127402 0.3603592 0.5000000), wk = 0.0026738 k( 118) = ( 0.3292002 0.3530097 0.5000000), wk = 0.0026738 k( 119) = ( 0.3456602 0.3456602 0.5000000), wk = 0.0026738 k( 120) = ( 0.3456602 0.3456602 0.5000000), wk = 0.0026738 k( 121) = ( 0.3370187 0.3370187 0.5000000), wk = 0.0026738 k( 122) = ( 0.3283772 0.3283772 0.5000000), wk = 0.0026738 k( 123) = ( 0.3197357 0.3197357 0.5000000), wk = 0.0026738 k( 124) = ( 0.3110942 0.3110942 0.5000000), wk = 0.0026738 k( 125) = ( 0.3024527 0.3024527 0.5000000), wk = 0.0026738 k( 126) = ( 0.2938112 0.2938112 0.5000000), wk = 0.0026738 k( 127) = ( 0.2851697 0.2851697 0.5000000), wk = 0.0026738 k( 128) = ( 0.2765282 0.2765282 0.5000000), wk = 0.0026738 k( 129) = ( 0.2678867 0.2678867 0.5000000), wk = 0.0026738 k( 130) = ( 0.2592452 0.2592452 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506037 0.2506037 0.5000000), wk = 0.0026738 k( 132) = ( 0.2419621 0.2419621 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333206 0.2333206 0.5000000), wk = 0.0026738 k( 134) = ( 0.2246791 0.2246791 0.5000000), wk = 0.0026738 k( 135) = ( 0.2160376 0.2160376 0.5000000), wk = 0.0026738 k( 136) = ( 0.2073961 0.2073961 0.5000000), wk = 0.0026738 k( 137) = ( 0.1987546 0.1987546 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901131 0.1901131 0.5000000), wk = 0.0026738 k( 139) = ( 0.1814716 0.1814716 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728301 0.1728301 0.5000000), wk = 0.0026738 k( 141) = ( 0.1641886 0.1641886 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555471 0.1555471 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469056 0.1469056 0.5000000), wk = 0.0026738 k( 144) = ( 0.1382641 0.1382641 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296226 0.1296226 0.5000000), wk = 0.0026738 k( 146) = ( 0.1209811 0.1209811 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123396 0.1123396 0.5000000), wk = 0.0026738 k( 148) = ( 0.1036981 0.1036981 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950566 0.0950566 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864150 0.0864151 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777735 0.0777736 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691320 0.0691320 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604905 0.0604905 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518490 0.0518490 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432075 0.0432075 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345660 0.0345660 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259245 0.0259245 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172830 0.0172830 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086415 0.0086415 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515152), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 -0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914256 0.5085744 0.0000000), wk = 0.0026738 k( 234) = ( -0.4828511 0.5171489 0.0000000), wk = 0.0026738 k( 235) = ( -0.4742767 0.5257233 0.0000000), wk = 0.0026738 k( 236) = ( -0.4657023 0.5342977 0.0000000), wk = 0.0026738 k( 237) = ( -0.4571278 0.5428722 0.0000000), wk = 0.0026738 k( 238) = ( -0.4485534 0.5514466 0.0000000), wk = 0.0026738 k( 239) = ( -0.4399790 0.5600210 0.0000000), wk = 0.0026738 k( 240) = ( -0.4314045 0.5685955 0.0000000), wk = 0.0026738 k( 241) = ( -0.4228301 0.5771699 0.0000000), wk = 0.0026738 k( 242) = ( -0.4142557 0.5857443 0.0000000), wk = 0.0026738 k( 243) = ( -0.4056812 0.5943188 0.0000000), wk = 0.0026738 k( 244) = ( -0.3971068 0.6028932 0.0000000), wk = 0.0026738 k( 245) = ( -0.3885324 0.6114676 0.0000000), wk = 0.0026738 k( 246) = ( -0.3799579 0.6200421 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3713835 0.6286165 0.0000000), wk = 0.0026738 k( 248) = ( -0.3628091 0.6371909 0.0000000), wk = 0.0026738 k( 249) = ( -0.3542346 0.6457654 0.0000000), wk = 0.0026738 k( 250) = ( -0.3456602 0.6543398 0.0000000), wk = 0.0026738 k( 251) = ( -0.3456602 0.6543398 0.0000000), wk = 0.0026738 k( 252) = ( -0.3456602 0.6543398 0.0151515), wk = 0.0026738 k( 253) = ( -0.3456602 0.6543398 0.0303030), wk = 0.0026738 k( 254) = ( -0.3456602 0.6543398 0.0454546), wk = 0.0026738 k( 255) = ( -0.3456602 0.6543398 0.0606061), wk = 0.0026738 k( 256) = ( -0.3456602 0.6543398 0.0757576), wk = 0.0026738 k( 257) = ( -0.3456602 0.6543398 0.0909091), wk = 0.0026738 k( 258) = ( -0.3456602 0.6543398 0.1060606), wk = 0.0026738 k( 259) = ( -0.3456602 0.6543398 0.1212121), wk = 0.0026738 k( 260) = ( -0.3456602 0.6543398 0.1363636), wk = 0.0026738 k( 261) = ( -0.3456602 0.6543398 0.1515152), wk = 0.0026738 k( 262) = ( -0.3456602 0.6543398 0.1666667), wk = 0.0026738 k( 263) = ( -0.3456602 0.6543398 0.1818182), wk = 0.0026738 k( 264) = ( -0.3456602 0.6543398 0.1969697), wk = 0.0026738 k( 265) = ( -0.3456602 0.6543398 0.2121212), wk = 0.0026738 k( 266) = ( -0.3456602 0.6543398 0.2272727), wk = 0.0026738 k( 267) = ( -0.3456602 0.6543398 0.2424242), wk = 0.0026738 k( 268) = ( -0.3456602 0.6543398 0.2575758), wk = 0.0026738 k( 269) = ( -0.3456602 0.6543398 0.2727273), wk = 0.0026738 k( 270) = ( -0.3456602 0.6543398 0.2878788), wk = 0.0026738 k( 271) = ( -0.3456602 0.6543398 0.3030303), wk = 0.0026738 k( 272) = ( -0.3456602 0.6543398 0.3181818), wk = 0.0026738 k( 273) = ( -0.3456602 0.6543398 0.3333333), wk = 0.0026738 k( 274) = ( -0.3456602 0.6543398 0.3484849), wk = 0.0026738 k( 275) = ( -0.3456602 0.6543398 0.3636364), wk = 0.0026738 k( 276) = ( -0.3456602 0.6543398 0.3787879), wk = 0.0026738 k( 277) = ( -0.3456602 0.6543398 0.3939394), wk = 0.0026738 k( 278) = ( -0.3456602 0.6543398 0.4090909), wk = 0.0026738 k( 279) = ( -0.3456602 0.6543398 0.4242424), wk = 0.0026738 k( 280) = ( -0.3456602 0.6543398 0.4393939), wk = 0.0026738 k( 281) = ( -0.3456602 0.6543398 0.4545455), wk = 0.0026738 k( 282) = ( -0.3456602 0.6543398 0.4696970), wk = 0.0026738 k( 283) = ( -0.3456602 0.6543398 0.4848485), wk = 0.0026738 k( 284) = ( -0.3456602 0.6543398 0.5000000), wk = 0.0026738 k( 285) = ( -0.3456602 0.6543398 0.5000000), wk = 0.0026738 k( 286) = ( -0.3542346 0.6457654 0.5000000), wk = 0.0026738 k( 287) = ( -0.3628091 0.6371909 0.5000000), wk = 0.0026738 k( 288) = ( -0.3713835 0.6286165 0.5000000), wk = 0.0026738 k( 289) = ( -0.3799579 0.6200421 0.5000000), wk = 0.0026738 k( 290) = ( -0.3885324 0.6114676 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971068 0.6028932 0.5000000), wk = 0.0026738 k( 292) = ( -0.4056812 0.5943188 0.5000000), wk = 0.0026738 k( 293) = ( -0.4142557 0.5857443 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228301 0.5771699 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314045 0.5685955 0.5000000), wk = 0.0026738 k( 296) = ( -0.4399790 0.5600210 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485534 0.5514466 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571278 0.5428722 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657023 0.5342977 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742767 0.5257233 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828511 0.5171489 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914256 0.5085744 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515152), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78497 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34773 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 188, 58) NL pseudopotentials 0.32 Mb ( 94, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1637) G-vector shells 0.01 Mb ( 842) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 188, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.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 43.7 secs Computing kpt #: 2 total cpu time spent up to now is 46.5 secs Computing kpt #: 3 total cpu time spent up to now is 49.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.9 secs Computing kpt #: 5 total cpu time spent up to now is 54.3 secs Computing kpt #: 6 total cpu time spent up to now is 56.9 secs Computing kpt #: 7 total cpu time spent up to now is 59.3 secs Computing kpt #: 8 total cpu time spent up to now is 61.8 secs Computing kpt #: 9 total cpu time spent up to now is 64.1 secs Computing kpt #: 10 total cpu time spent up to now is 66.5 secs Computing kpt #: 11 total cpu time spent up to now is 69.0 secs Computing kpt #: 12 total cpu time spent up to now is 71.3 secs Computing kpt #: 13 total cpu time spent up to now is 73.6 secs Computing kpt #: 14 total cpu time spent up to now is 75.9 secs Computing kpt #: 15 total cpu time spent up to now is 78.2 secs Computing kpt #: 16 total cpu time spent up to now is 80.5 secs Computing kpt #: 17 total cpu time spent up to now is 83.2 secs Computing kpt #: 18 total cpu time spent up to now is 86.0 secs Computing kpt #: 19 total cpu time spent up to now is 88.8 secs Computing kpt #: 20 total cpu time spent up to now is 91.8 secs Computing kpt #: 21 total cpu time spent up to now is 95.4 secs Computing kpt #: 22 total cpu time spent up to now is 98.3 secs Computing kpt #: 23 total cpu time spent up to now is 101.4 secs Computing kpt #: 24 total cpu time spent up to now is 104.5 secs Computing kpt #: 25 total cpu time spent up to now is 107.5 secs Computing kpt #: 26 total cpu time spent up to now is 110.5 secs Computing kpt #: 27 total cpu time spent up to now is 113.7 secs Computing kpt #: 28 total cpu time spent up to now is 117.0 secs Computing kpt #: 29 total cpu time spent up to now is 119.8 secs Computing kpt #: 30 total cpu time spent up to now is 122.8 secs Computing kpt #: 31 total cpu time spent up to now is 125.8 secs Computing kpt #: 32 total cpu time spent up to now is 128.8 secs Computing kpt #: 33 total cpu time spent up to now is 131.5 secs Computing kpt #: 34 total cpu time spent up to now is 135.4 secs Computing kpt #: 35 total cpu time spent up to now is 139.3 secs Computing kpt #: 36 total cpu time spent up to now is 142.5 secs Computing kpt #: 37 total cpu time spent up to now is 145.5 secs Computing kpt #: 38 total cpu time spent up to now is 148.1 secs Computing kpt #: 39 total cpu time spent up to now is 150.9 secs Computing kpt #: 40 total cpu time spent up to now is 153.9 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.2 secs Computing kpt #: 43 total cpu time spent up to now is 168.5 secs Computing kpt #: 44 total cpu time spent up to now is 171.6 secs Computing kpt #: 45 total cpu time spent up to now is 174.7 secs Computing kpt #: 46 total cpu time spent up to now is 177.5 secs Computing kpt #: 47 total cpu time spent up to now is 180.5 secs Computing kpt #: 48 total cpu time spent up to now is 183.3 secs Computing kpt #: 49 total cpu time spent up to now is 186.4 secs Computing kpt #: 50 total cpu time spent up to now is 189.5 secs Computing kpt #: 51 total cpu time spent up to now is 192.5 secs Computing kpt #: 52 total cpu time spent up to now is 195.6 secs Computing kpt #: 53 total cpu time spent up to now is 198.8 secs Computing kpt #: 54 total cpu time spent up to now is 201.9 secs Computing kpt #: 55 total cpu time spent up to now is 205.0 secs Computing kpt #: 56 total cpu time spent up to now is 208.0 secs Computing kpt #: 57 total cpu time spent up to now is 211.1 secs Computing kpt #: 58 total cpu time spent up to now is 213.7 secs Computing kpt #: 59 total cpu time spent up to now is 216.4 secs Computing kpt #: 60 total cpu time spent up to now is 219.2 secs Computing kpt #: 61 total cpu time spent up to now is 221.9 secs Computing kpt #: 62 total cpu time spent up to now is 227.5 secs Computing kpt #: 63 total cpu time spent up to now is 230.2 secs Computing kpt #: 64 total cpu time spent up to now is 232.7 secs Computing kpt #: 65 total cpu time spent up to now is 235.3 secs Computing kpt #: 66 total cpu time spent up to now is 237.9 secs Computing kpt #: 67 total cpu time spent up to now is 240.8 secs Computing kpt #: 68 total cpu time spent up to now is 243.8 secs Computing kpt #: 69 total cpu time spent up to now is 246.7 secs Computing kpt #: 70 total cpu time spent up to now is 249.7 secs Computing kpt #: 71 total cpu time spent up to now is 252.8 secs Computing kpt #: 72 total cpu time spent up to now is 256.2 secs Computing kpt #: 73 total cpu time spent up to now is 259.5 secs Computing kpt #: 74 total cpu time spent up to now is 263.1 secs Computing kpt #: 75 total cpu time spent up to now is 267.1 secs Computing kpt #: 76 total cpu time spent up to now is 271.3 secs Computing kpt #: 77 total cpu time spent up to now is 275.4 secs Computing kpt #: 78 total cpu time spent up to now is 279.6 secs Computing kpt #: 79 total cpu time spent up to now is 284.4 secs Computing kpt #: 80 total cpu time spent up to now is 289.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.6 secs Computing kpt #: 84 total cpu time spent up to now is 310.1 secs Computing kpt #: 85 total cpu time spent up to now is 313.7 secs Computing kpt #: 86 total cpu time spent up to now is 317.1 secs Computing kpt #: 87 total cpu time spent up to now is 320.0 secs Computing kpt #: 88 total cpu time spent up to now is 323.3 secs Computing kpt #: 89 total cpu time spent up to now is 326.3 secs Computing kpt #: 90 total cpu time spent up to now is 329.4 secs Computing kpt #: 91 total cpu time spent up to now is 332.5 secs Computing kpt #: 92 total cpu time spent up to now is 335.5 secs Computing kpt #: 93 total cpu time spent up to now is 338.3 secs Computing kpt #: 94 total cpu time spent up to now is 341.2 secs Computing kpt #: 95 total cpu time spent up to now is 344.1 secs Computing kpt #: 96 total cpu time spent up to now is 347.1 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 352.7 secs Computing kpt #: 98 total cpu time spent up to now is 356.3 secs Computing kpt #: 99 total cpu time spent up to now is 359.7 secs Computing kpt #: 100 total cpu time spent up to now is 363.2 secs Computing kpt #: 101 total cpu time spent up to now is 366.5 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.6 secs Computing kpt #: 103 total cpu time spent up to now is 374.9 secs Computing kpt #: 104 total cpu time spent up to now is 378.5 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.6 secs Computing kpt #: 106 total cpu time spent up to now is 386.8 secs Computing kpt #: 107 total cpu time spent up to now is 390.2 secs Computing kpt #: 108 total cpu time spent up to now is 393.4 secs Computing kpt #: 109 total cpu time spent up to now is 396.8 secs Computing kpt #: 110 total cpu time spent up to now is 400.0 secs Computing kpt #: 111 total cpu time spent up to now is 403.2 secs Computing kpt #: 112 total cpu time spent up to now is 406.6 secs Computing kpt #: 113 total cpu time spent up to now is 409.9 secs Computing kpt #: 114 total cpu time spent up to now is 413.4 secs Computing kpt #: 115 total cpu time spent up to now is 417.1 secs Computing kpt #: 116 total cpu time spent up to now is 420.4 secs Computing kpt #: 117 total cpu time spent up to now is 423.8 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.8 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.1 secs Computing kpt #: 121 total cpu time spent up to now is 444.4 secs Computing kpt #: 122 total cpu time spent up to now is 447.7 secs Computing kpt #: 123 total cpu time spent up to now is 450.3 secs Computing kpt #: 124 total cpu time spent up to now is 452.7 secs Computing kpt #: 125 total cpu time spent up to now is 455.3 secs Computing kpt #: 126 total cpu time spent up to now is 458.5 secs Computing kpt #: 127 total cpu time spent up to now is 461.0 secs Computing kpt #: 128 total cpu time spent up to now is 464.0 secs Computing kpt #: 129 total cpu time spent up to now is 467.1 secs Computing kpt #: 130 total cpu time spent up to now is 470.3 secs Computing kpt #: 131 total cpu time spent up to now is 473.6 secs Computing kpt #: 132 total cpu time spent up to now is 476.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 481.4 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.4 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 491.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.4 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.1 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 506.1 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.1 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.0 secs Computing kpt #: 141 total cpu time spent up to now is 520.3 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.2 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 530.1 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 534.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 146 total cpu time spent up to now is 544.1 secs Computing kpt #: 147 total cpu time spent up to now is 548.6 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 553.4 secs Computing kpt #: 149 total cpu time spent up to now is 556.9 secs Computing kpt #: 150 total cpu time spent up to now is 561.4 secs Computing kpt #: 151 total cpu time spent up to now is 564.7 secs Computing kpt #: 152 total cpu time spent up to now is 568.1 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 573.1 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.9 secs Computing kpt #: 155 total cpu time spent up to now is 581.3 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.1 secs Computing kpt #: 157 total cpu time spent up to now is 590.4 secs Computing kpt #: 158 total cpu time spent up to now is 593.7 secs Computing kpt #: 159 total cpu time spent up to now is 595.9 secs Computing kpt #: 160 total cpu time spent up to now is 598.2 secs Computing kpt #: 161 total cpu time spent up to now is 600.4 secs Computing kpt #: 162 total cpu time spent up to now is 603.2 secs Computing kpt #: 163 total cpu time spent up to now is 606.0 secs Computing kpt #: 164 total cpu time spent up to now is 608.6 secs Computing kpt #: 165 total cpu time spent up to now is 611.3 secs Computing kpt #: 166 total cpu time spent up to now is 613.9 secs Computing kpt #: 167 total cpu time spent up to now is 617.4 secs Computing kpt #: 168 total cpu time spent up to now is 620.5 secs Computing kpt #: 169 total cpu time spent up to now is 624.2 secs Computing kpt #: 170 total cpu time spent up to now is 626.9 secs Computing kpt #: 171 total cpu time spent up to now is 629.6 secs Computing kpt #: 172 total cpu time spent up to now is 632.4 secs Computing kpt #: 173 total cpu time spent up to now is 635.1 secs Computing kpt #: 174 total cpu time spent up to now is 638.5 secs Computing kpt #: 175 total cpu time spent up to now is 643.0 secs Computing kpt #: 176 total cpu time spent up to now is 646.3 secs Computing kpt #: 177 total cpu time spent up to now is 649.1 secs Computing kpt #: 178 total cpu time spent up to now is 651.9 secs Computing kpt #: 179 total cpu time spent up to now is 654.4 secs Computing kpt #: 180 total cpu time spent up to now is 656.8 secs Computing kpt #: 181 total cpu time spent up to now is 659.1 secs Computing kpt #: 182 total cpu time spent up to now is 661.5 secs Computing kpt #: 183 total cpu time spent up to now is 664.1 secs Computing kpt #: 184 total cpu time spent up to now is 667.0 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.2 secs Computing kpt #: 186 total cpu time spent up to now is 676.5 secs Computing kpt #: 187 total cpu time spent up to now is 680.6 secs Computing kpt #: 188 total cpu time spent up to now is 684.3 secs Computing kpt #: 189 total cpu time spent up to now is 687.8 secs Computing kpt #: 190 total cpu time spent up to now is 690.7 secs Computing kpt #: 191 total cpu time spent up to now is 693.5 secs Computing kpt #: 192 total cpu time spent up to now is 696.0 secs Computing kpt #: 193 total cpu time spent up to now is 698.8 secs Computing kpt #: 194 total cpu time spent up to now is 701.6 secs Computing kpt #: 195 total cpu time spent up to now is 704.4 secs Computing kpt #: 196 total cpu time spent up to now is 707.3 secs Computing kpt #: 197 total cpu time spent up to now is 710.0 secs Computing kpt #: 198 total cpu time spent up to now is 712.8 secs Computing kpt #: 199 total cpu time spent up to now is 715.7 secs Computing kpt #: 200 total cpu time spent up to now is 718.4 secs Computing kpt #: 201 total cpu time spent up to now is 722.5 secs Computing kpt #: 202 total cpu time spent up to now is 725.2 secs Computing kpt #: 203 total cpu time spent up to now is 728.1 secs Computing kpt #: 204 total cpu time spent up to now is 730.7 secs Computing kpt #: 205 total cpu time spent up to now is 733.9 secs Computing kpt #: 206 total cpu time spent up to now is 737.7 secs Computing kpt #: 207 total cpu time spent up to now is 740.7 secs Computing kpt #: 208 total cpu time spent up to now is 743.7 secs Computing kpt #: 209 total cpu time spent up to now is 746.4 secs Computing kpt #: 210 total cpu time spent up to now is 749.3 secs Computing kpt #: 211 total cpu time spent up to now is 752.0 secs Computing kpt #: 212 total cpu time spent up to now is 754.9 secs Computing kpt #: 213 total cpu time spent up to now is 757.7 secs Computing kpt #: 214 total cpu time spent up to now is 760.4 secs Computing kpt #: 215 total cpu time spent up to now is 763.1 secs Computing kpt #: 216 total cpu time spent up to now is 765.8 secs Computing kpt #: 217 total cpu time spent up to now is 768.4 secs Computing kpt #: 218 total cpu time spent up to now is 771.1 secs Computing kpt #: 219 total cpu time spent up to now is 773.9 secs Computing kpt #: 220 total cpu time spent up to now is 776.5 secs Computing kpt #: 221 total cpu time spent up to now is 779.2 secs Computing kpt #: 222 total cpu time spent up to now is 781.9 secs Computing kpt #: 223 total cpu time spent up to now is 784.9 secs Computing kpt #: 224 total cpu time spent up to now is 787.7 secs Computing kpt #: 225 total cpu time spent up to now is 790.3 secs Computing kpt #: 226 total cpu time spent up to now is 793.1 secs Computing kpt #: 227 total cpu time spent up to now is 795.8 secs Computing kpt #: 228 total cpu time spent up to now is 798.4 secs Computing kpt #: 229 total cpu time spent up to now is 801.0 secs Computing kpt #: 230 total cpu time spent up to now is 803.8 secs Computing kpt #: 231 total cpu time spent up to now is 806.4 secs Computing kpt #: 232 total cpu time spent up to now is 809.1 secs Computing kpt #: 233 total cpu time spent up to now is 811.8 secs Computing kpt #: 234 total cpu time spent up to now is 814.6 secs Computing kpt #: 235 total cpu time spent up to now is 817.6 secs Computing kpt #: 236 total cpu time spent up to now is 820.2 secs Computing kpt #: 237 total cpu time spent up to now is 823.2 secs Computing kpt #: 238 total cpu time spent up to now is 826.6 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.9 secs Computing kpt #: 240 total cpu time spent up to now is 835.5 secs Computing kpt #: 241 total cpu time spent up to now is 838.4 secs Computing kpt #: 242 total cpu time spent up to now is 841.3 secs Computing kpt #: 243 total cpu time spent up to now is 844.2 secs Computing kpt #: 244 total cpu time spent up to now is 847.1 secs Computing kpt #: 245 total cpu time spent up to now is 849.9 secs Computing kpt #: 246 total cpu time spent up to now is 852.7 secs Computing kpt #: 247 total cpu time spent up to now is 855.5 secs Computing kpt #: 248 total cpu time spent up to now is 859.4 secs Computing kpt #: 249 total cpu time spent up to now is 862.6 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 868.1 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 873.5 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 879.0 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.5 secs Computing kpt #: 254 total cpu time spent up to now is 889.0 secs Computing kpt #: 255 total cpu time spent up to now is 892.4 secs Computing kpt #: 256 total cpu time spent up to now is 896.1 secs Computing kpt #: 257 total cpu time spent up to now is 899.2 secs Computing kpt #: 258 total cpu time spent up to now is 902.1 secs Computing kpt #: 259 total cpu time spent up to now is 904.7 secs Computing kpt #: 260 total cpu time spent up to now is 907.4 secs Computing kpt #: 261 total cpu time spent up to now is 909.8 secs Computing kpt #: 262 total cpu time spent up to now is 912.3 secs Computing kpt #: 263 total cpu time spent up to now is 914.7 secs Computing kpt #: 264 total cpu time spent up to now is 917.1 secs Computing kpt #: 265 total cpu time spent up to now is 919.8 secs Computing kpt #: 266 total cpu time spent up to now is 922.2 secs Computing kpt #: 267 total cpu time spent up to now is 924.5 secs Computing kpt #: 268 total cpu time spent up to now is 926.9 secs Computing kpt #: 269 total cpu time spent up to now is 929.3 secs Computing kpt #: 270 total cpu time spent up to now is 931.9 secs Computing kpt #: 271 total cpu time spent up to now is 934.3 secs Computing kpt #: 272 total cpu time spent up to now is 936.7 secs Computing kpt #: 273 total cpu time spent up to now is 939.2 secs Computing kpt #: 274 total cpu time spent up to now is 941.7 secs Computing kpt #: 275 total cpu time spent up to now is 944.2 secs Computing kpt #: 276 total cpu time spent up to now is 946.6 secs Computing kpt #: 277 total cpu time spent up to now is 948.9 secs Computing kpt #: 278 total cpu time spent up to now is 951.3 secs Computing kpt #: 279 total cpu time spent up to now is 953.8 secs Computing kpt #: 280 total cpu time spent up to now is 956.4 secs Computing kpt #: 281 total cpu time spent up to now is 959.1 secs Computing kpt #: 282 total cpu time spent up to now is 961.7 secs Computing kpt #: 283 total cpu time spent up to now is 964.8 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 969.9 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 975.0 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 980.3 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 985.1 secs Computing kpt #: 288 total cpu time spent up to now is 987.3 secs Computing kpt #: 289 total cpu time spent up to now is 989.7 secs Computing kpt #: 290 total cpu time spent up to now is 993.1 secs Computing kpt #: 291 total cpu time spent up to now is 996.5 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1001.5 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.7 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1011.5 secs Computing kpt #: 295 total cpu time spent up to now is 1016.0 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1021.2 secs Computing kpt #: 297 total cpu time spent up to now is 1023.5 secs Computing kpt #: 298 total cpu time spent up to now is 1025.8 secs Computing kpt #: 299 total cpu time spent up to now is 1028.9 secs Computing kpt #: 300 total cpu time spent up to now is 1032.3 secs Computing kpt #: 301 total cpu time spent up to now is 1035.7 secs Computing kpt #: 302 total cpu time spent up to now is 1039.1 secs Computing kpt #: 303 total cpu time spent up to now is 1041.4 secs Computing kpt #: 304 total cpu time spent up to now is 1043.7 secs Computing kpt #: 305 total cpu time spent up to now is 1046.5 secs Computing kpt #: 306 total cpu time spent up to now is 1049.4 secs Computing kpt #: 307 total cpu time spent up to now is 1052.0 secs Computing kpt #: 308 total cpu time spent up to now is 1054.6 secs Computing kpt #: 309 total cpu time spent up to now is 1057.1 secs Computing kpt #: 310 total cpu time spent up to now is 1059.6 secs Computing kpt #: 311 total cpu time spent up to now is 1062.3 secs Computing kpt #: 312 total cpu time spent up to now is 1064.9 secs Computing kpt #: 313 total cpu time spent up to now is 1067.3 secs Computing kpt #: 314 total cpu time spent up to now is 1069.6 secs Computing kpt #: 315 total cpu time spent up to now is 1071.8 secs Computing kpt #: 316 total cpu time spent up to now is 1074.1 secs Computing kpt #: 317 total cpu time spent up to now is 1076.3 secs Computing kpt #: 318 total cpu time spent up to now is 1078.6 secs Computing kpt #: 319 total cpu time spent up to now is 1080.9 secs Computing kpt #: 320 total cpu time spent up to now is 1083.1 secs Computing kpt #: 321 total cpu time spent up to now is 1085.5 secs Computing kpt #: 322 total cpu time spent up to now is 1088.0 secs Computing kpt #: 323 total cpu time spent up to now is 1090.9 secs Computing kpt #: 324 total cpu time spent up to now is 1094.2 secs Computing kpt #: 325 total cpu time spent up to now is 1097.2 secs Computing kpt #: 326 total cpu time spent up to now is 1100.2 secs Computing kpt #: 327 total cpu time spent up to now is 1103.2 secs Computing kpt #: 328 total cpu time spent up to now is 1106.1 secs Computing kpt #: 329 total cpu time spent up to now is 1109.1 secs Computing kpt #: 330 total cpu time spent up to now is 1111.9 secs Computing kpt #: 331 total cpu time spent up to now is 1114.5 secs Computing kpt #: 332 total cpu time spent up to now is 1117.2 secs Computing kpt #: 333 total cpu time spent up to now is 1119.9 secs Computing kpt #: 334 total cpu time spent up to now is 1122.6 secs Computing kpt #: 335 total cpu time spent up to now is 1125.3 secs Computing kpt #: 336 total cpu time spent up to now is 1127.9 secs Computing kpt #: 337 total cpu time spent up to now is 1130.6 secs Computing kpt #: 338 total cpu time spent up to now is 1132.8 secs Computing kpt #: 339 total cpu time spent up to now is 1136.0 secs Computing kpt #: 340 total cpu time spent up to now is 1140.6 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1145.6 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1150.5 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1155.4 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1160.7 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1165.6 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1170.7 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1175.6 secs Computing kpt #: 348 total cpu time spent up to now is 1179.1 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1184.1 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1189.0 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1194.1 secs Computing kpt #: 352 total cpu time spent up to now is 1197.3 secs Computing kpt #: 353 total cpu time spent up to now is 1200.9 secs Computing kpt #: 354 total cpu time spent up to now is 1204.3 secs Computing kpt #: 355 total cpu time spent up to now is 1207.4 secs Computing kpt #: 356 total cpu time spent up to now is 1210.6 secs Computing kpt #: 357 total cpu time spent up to now is 1215.3 secs Computing kpt #: 358 total cpu time spent up to now is 1218.4 secs Computing kpt #: 359 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1223.4 secs Computing kpt #: 360 total cpu time spent up to now is 1226.9 secs Computing kpt #: 361 total cpu time spent up to now is 1230.6 secs Computing kpt #: 362 total cpu time spent up to now is 1234.2 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1239.1 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1244.1 secs Computing kpt #: 365 total cpu time spent up to now is 1248.0 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1253.2 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1258.3 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1263.4 secs Computing kpt #: 369 total cpu time spent up to now is 1266.7 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1271.9 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1276.6 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.6 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1286.4 secs Computing kpt #: 374 total cpu time spent up to now is 1288.6 secs ethr = 2.08E-11, avg # of iterations = 57.4 total cpu time spent up to now is 1288.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.9365 -13.9365 -13.4389 -13.4389 -10.7907 -10.7907 -9.0526 -9.0526 -8.8536 -8.8536 -8.7991 -8.7991 -3.6471 -3.6471 -3.3372 -3.3372 -2.8266 -2.8266 -0.6650 -0.6650 -0.1349 -0.1349 -0.0375 -0.0375 0.2490 0.2490 1.1024 1.1024 1.4066 1.4066 2.1101 2.1101 2.4480 2.4480 3.2432 3.2432 3.4562 3.4562 3.7676 3.7676 3.7885 3.7885 4.4250 4.4250 4.6713 4.6713 5.5150 5.5150 10.6581 10.6581 12.0878 12.0878 12.0903 12.0903 12.8907 12.8907 13.5591 13.5591 k = 0.0086 0.0140-0.0000 ( 4323 PWs) bands (ev): -13.9362 -13.9362 -13.4390 -13.4390 -10.7901 -10.7901 -9.0684 -9.0662 -8.8422 -8.8394 -8.7988 -8.7985 -3.6510 -3.6508 -3.3313 -3.3307 -2.8258 -2.8256 -0.6652 -0.6646 -0.1359 -0.1355 -0.0370 -0.0369 0.2450 0.2461 1.1073 1.1090 1.4053 1.4060 2.1083 2.1093 2.4478 2.4482 3.2407 3.2413 3.4566 3.4566 3.7607 3.7688 3.7842 3.7923 4.4252 4.4253 4.6705 4.6708 5.5139 5.5142 10.6611 10.6611 12.0880 12.0883 12.0922 12.0926 12.8906 12.8915 13.5574 13.5589 k = 0.0173 0.0279-0.0000 ( 4325 PWs) bands (ev): -13.9354 -13.9354 -13.4391 -13.4391 -10.7881 -10.7881 -9.1056 -9.1023 -8.8123 -8.8079 -8.7974 -8.7970 -3.6614 -3.6612 -3.3139 -3.3129 -2.8230 -2.8226 -0.6651 -0.6639 -0.1387 -0.1379 -0.0355 -0.0352 0.2347 0.2368 1.1233 1.1267 1.4020 1.4035 2.1036 2.1057 2.4477 2.4485 3.2339 3.2350 3.4576 3.4576 3.7496 3.7614 3.7824 3.7941 4.4260 4.4262 4.6684 4.6690 5.5110 5.5116 10.6700 10.6700 12.0890 12.0897 12.0983 12.0991 12.8912 12.8930 13.5537 13.5566 k = 0.0259 0.0419-0.0000 ( 4323 PWs) bands (ev): -13.9340 -13.9340 -13.4392 -13.4392 -10.7849 -10.7848 -9.1536 -9.1499 -8.7958 -8.7948 -8.7741 -8.7692 -3.6764 -3.6762 -3.2873 -3.2858 -2.8183 -2.8177 -0.6650 -0.6632 -0.1432 -0.1420 -0.0332 -0.0327 0.2196 0.2225 1.1494 1.1542 1.3968 1.3990 2.0963 2.0993 2.4476 2.4487 3.2230 3.2247 3.4592 3.4593 3.7344 3.7470 3.7814 3.7938 4.4273 4.4276 4.6650 4.6660 5.5063 5.5073 10.6847 10.6848 12.0908 12.0919 12.1084 12.1097 12.8927 12.8953 13.5472 13.5514 k = 0.0346 0.0559-0.0000 ( 4323 PWs) bands (ev): -13.9322 -13.9321 -13.4395 -13.4395 -10.7804 -10.7803 -9.2072 -9.2036 -8.7929 -8.7916 -8.7343 -8.7288 -3.6937 -3.6935 -3.2536 -3.2518 -2.8117 -2.8109 -0.6652 -0.6627 -0.1494 -0.1479 -0.0306 -0.0300 0.2022 0.2056 1.1841 1.1901 1.3897 1.3926 2.0862 2.0901 2.4474 2.4490 3.2083 3.2105 3.4616 3.4617 3.7147 3.7273 3.7794 3.7918 4.4292 4.4296 4.6602 4.6615 5.4999 5.5013 10.7052 10.7053 12.0934 12.0948 12.1224 12.1241 12.8953 12.8986 13.5372 13.5424 k = 0.0432 0.0698-0.0000 ( 4317 PWs) bands (ev): -13.9298 -13.9297 -13.4398 -13.4398 -10.7746 -10.7744 -9.2643 -9.2607 -8.7891 -8.7876 -8.6947 -8.6888 -3.7115 -3.7114 -3.2146 -3.2126 -2.8031 -2.8021 -0.6661 -0.6629 -0.1574 -0.1555 -0.0286 -0.0277 0.1851 0.1889 1.2257 1.2328 1.3806 1.3841 2.0733 2.0782 2.4471 2.4492 3.1903 3.1931 3.4647 3.4648 3.6905 3.7027 3.7762 3.7882 4.4317 4.4322 4.6540 4.6554 5.4921 5.4938 10.7312 10.7314 12.0966 12.0983 12.1400 12.1422 12.8992 12.9032 13.5230 13.5290 k = 0.0518 0.0838-0.0000 ( 4317 PWs) bands (ev): -13.9268 -13.9268 -13.4401 -13.4401 -10.7674 -10.7673 -9.3236 -9.3201 -8.7846 -8.7827 -8.6566 -8.6503 -3.7287 -3.7286 -3.1718 -3.1695 -2.7927 -2.7915 -0.6682 -0.6644 -0.1672 -0.1650 -0.0282 -0.0271 0.1715 0.1753 1.2729 1.2808 1.3695 1.3737 2.0577 2.0634 2.4464 2.4491 3.1696 3.1730 3.4686 3.4687 3.6616 3.6734 3.7716 3.7832 4.4347 4.4353 4.6461 4.6477 5.4830 5.4850 10.7626 10.7628 12.1003 12.1025 12.1609 12.1635 12.9047 12.9092 13.5046 13.5110 k = 0.0605 0.0978-0.0000 ( 4315 PWs) bands (ev): -13.9234 -13.9233 -13.4405 -13.4405 -10.7590 -10.7588 -9.3846 -9.3812 -8.7792 -8.7771 -8.6205 -8.6139 -3.7446 -3.7443 -3.1260 -3.1235 -2.7804 -2.7790 -0.6722 -0.6677 -0.1789 -0.1763 -0.0302 -0.0288 0.1640 0.1677 1.3242 1.3327 1.3565 1.3613 2.0393 2.0457 2.4454 2.4487 3.1467 3.1506 3.4732 3.4734 3.6280 3.6392 3.7658 3.7769 4.4383 4.4390 4.6364 4.6382 5.4729 5.4752 10.7990 10.7992 12.1045 12.1070 12.1847 12.1877 12.9120 12.9171 13.4825 13.4890 k = 0.0691 0.1118-0.0000 ( 4311 PWs) bands (ev): -13.9195 -13.9194 -13.4410 -13.4410 -10.7492 -10.7491 -9.4467 -9.4435 -8.7731 -8.7706 -8.5869 -8.5801 -3.7585 -3.7581 -3.0779 -3.0753 -2.7662 -2.7646 -0.6789 -0.6736 -0.1925 -0.1895 -0.0346 -0.0330 0.1644 0.1678 1.3411 1.3467 1.3786 1.3880 2.0181 2.0252 2.4439 2.4479 3.1223 3.1268 3.4787 3.4790 3.5899 3.6006 3.7587 3.7695 4.4425 4.4432 4.6247 4.6267 5.4619 5.4645 10.8403 10.8405 12.1091 12.1120 12.2111 12.2145 12.9216 12.9269 13.4575 13.4641 k = 0.0778 0.1257-0.0000 ( 4307 PWs) bands (ev): -13.9151 -13.9150 -13.4416 -13.4416 -10.7382 -10.7380 -9.5098 -9.5068 -8.7661 -8.7634 -8.5560 -8.5489 -3.7701 -3.7695 -3.0280 -3.0252 -2.7501 -2.7483 -0.6887 -0.6826 -0.2081 -0.2047 -0.0402 -0.0387 0.1728 0.1761 1.3239 1.3301 1.4352 1.4450 1.9941 2.0018 2.4419 2.4466 3.0970 3.1020 3.4847 3.4854 3.5477 3.5575 3.7506 3.7611 4.4472 4.4481 4.6109 4.6130 5.4501 5.4531 10.8860 10.8863 12.1139 12.1172 12.2397 12.2435 12.9336 12.9392 13.4309 13.4373 k = 0.0864 0.1397-0.0000 ( 4313 PWs) bands (ev): -13.9102 -13.9101 -13.4422 -13.4421 -10.7258 -10.7256 -9.5734 -9.5706 -8.7584 -8.7554 -8.5280 -8.5207 -3.7792 -3.7784 -2.9768 -2.9739 -2.7321 -2.7301 -0.7022 -0.6955 -0.2257 -0.2219 -0.0452 -0.0437 0.1886 0.1919 1.3046 1.3114 1.4932 1.5034 1.9673 1.9755 2.4391 2.4446 3.0713 3.0769 3.4876 3.4922 3.5055 3.5111 3.7413 3.7516 4.4526 4.4536 4.5947 4.5969 5.4379 5.4412 10.9358 10.9362 12.1188 12.1224 12.2703 12.2745 12.9483 12.9539 13.4035 13.4098 k = 0.0951 0.1537-0.0000 ( 4315 PWs) bands (ev): -13.9049 -13.9048 -13.4428 -13.4428 -10.7121 -10.7119 -9.6376 -9.6349 -8.7500 -8.7467 -8.5030 -8.4955 -3.7856 -3.7847 -2.9244 -2.9214 -2.7123 -2.7101 -0.7198 -0.7124 -0.2455 -0.2413 -0.0478 -0.0464 0.2107 0.2140 1.2832 1.2905 1.5520 1.5626 1.9376 1.9464 2.4356 2.4419 3.0458 3.0520 3.4480 3.4590 3.5021 3.5032 3.7310 3.7410 4.4587 4.4597 4.5762 4.5783 5.4253 5.4288 10.9894 10.9899 12.1236 12.1277 12.3025 12.3072 12.9657 12.9713 13.3765 13.3825 k = 0.1037 0.1676-0.0000 ( 4313 PWs) bands (ev): -13.8992 -13.8991 -13.4435 -13.4435 -10.6971 -10.6968 -9.7019 -9.6994 -8.7409 -8.7374 -8.4811 -8.4734 -3.7894 -3.7883 -2.8714 -2.8683 -2.6906 -2.6882 -0.7413 -0.7334 -0.2674 -0.2628 -0.0467 -0.0455 0.2383 0.2417 1.2595 1.2673 1.6112 1.6221 1.9053 1.9145 2.4313 2.4385 3.0210 3.0277 3.3951 3.4053 3.5116 3.5122 3.7197 3.7296 4.4654 4.4665 4.5550 4.5572 5.4124 5.4162 11.0463 11.0469 12.1282 12.1327 12.3363 12.3413 12.9858 12.9913 13.3505 13.3562 k = 0.1123 0.1816-0.0000 ( 4317 PWs) bands (ev): -13.8930 -13.8930 -13.4443 -13.4442 -10.6808 -10.6805 -9.7664 -9.7641 -8.7312 -8.7273 -8.4622 -8.4543 -3.7905 -3.7893 -2.8177 -2.8146 -2.6671 -2.6645 -0.7665 -0.7581 -0.2915 -0.2866 -0.0413 -0.0402 0.2707 0.2742 1.2335 1.2418 1.6703 1.6814 1.8704 1.8799 2.4261 2.4342 2.9971 3.0043 3.3391 3.3489 3.5225 3.5230 3.7075 3.7172 4.4727 4.4739 4.5313 4.5335 5.3992 5.4033 11.1063 11.1070 12.1325 12.1374 12.3714 12.3768 13.0084 13.0135 13.3265 13.3317 k = 0.1210 0.1956-0.0000 ( 4317 PWs) bands (ev): -13.8866 -13.8865 -13.4450 -13.4450 -10.6631 -10.6628 -9.8309 -9.8287 -8.7208 -8.7167 -8.4463 -8.4384 -3.7891 -3.7878 -2.7638 -2.7606 -2.6417 -2.6389 -0.7948 -0.7861 -0.3180 -0.3127 -0.0314 -0.0304 0.3076 0.3113 1.2052 1.2138 1.7289 1.7403 1.8330 1.8429 2.4201 2.4290 2.9743 2.9820 3.2810 3.2905 3.5347 3.5351 3.6943 3.7039 4.4807 4.4819 4.5050 4.5072 5.3857 5.3901 11.1689 11.1697 12.1363 12.1416 12.4079 12.4136 13.0329 13.0374 13.3054 13.3101 k = 0.1296 0.2095-0.0000 ( 4313 PWs) bands (ev): -13.8797 -13.8796 -13.4459 -13.4459 -10.6442 -10.6438 -9.8951 -9.8931 -8.7099 -8.7055 -8.4335 -8.4255 -3.7853 -3.7839 -2.7098 -2.7066 -2.6146 -2.6116 -0.8256 -0.8166 -0.3469 -0.3412 -0.0172 -0.0163 0.3485 0.3524 1.1744 1.1834 1.7866 1.7936 1.7983 1.8036 2.4132 2.4230 2.9526 2.9606 3.2218 3.2311 3.5482 3.5487 3.6803 3.6898 4.4761 4.4783 4.4894 4.4908 5.3720 5.3766 11.2337 11.2347 12.1396 12.1453 12.4455 12.4515 13.0581 13.0618 13.2887 13.2927 k = 0.1383 0.2235-0.0000 ( 4313 PWs) bands (ev): -13.8726 -13.8725 -13.4467 -13.4467 -10.6238 -10.6234 -9.9591 -9.9571 -8.6984 -8.6937 -8.4237 -8.4155 -3.7793 -3.7778 -2.6559 -2.6527 -2.5857 -2.5825 -0.8581 -0.8489 -0.3782 -0.3722 0.0008 0.0018 0.3934 0.3975 1.1410 1.1504 1.7519 1.7623 1.8436 1.8554 2.4056 2.4162 2.9313 2.9397 3.1626 3.1718 3.5633 3.5638 3.6655 3.6749 4.4448 4.4469 4.4989 4.5003 5.3578 5.3627 11.3003 11.3015 12.1423 12.1484 12.4843 12.4906 13.0824 13.0849 13.2785 13.2815 k = 0.1469 0.2375-0.0000 ( 4321 PWs) bands (ev): -13.8651 -13.8650 -13.4476 -13.4476 -10.6022 -10.6017 -10.0226 -10.0208 -8.6865 -8.6815 -8.4167 -8.4085 -3.7712 -3.7696 -2.6023 -2.5991 -2.5550 -2.5516 -0.8916 -0.8823 -0.4120 -0.4057 0.0222 0.0233 0.4419 0.4463 1.1049 1.1146 1.7087 1.7194 1.8991 1.9110 2.3972 2.4086 2.9096 2.9182 3.1050 3.1142 3.5798 3.5805 3.6500 3.6593 4.4112 4.4133 4.5090 4.5105 5.3432 5.3482 11.3684 11.3698 12.1442 12.1508 12.5239 12.5306 13.1031 13.1043 13.2774 13.2791 k = 0.1555 0.2515-0.0000 ( 4315 PWs) bands (ev): -13.8574 -13.8573 -13.4485 -13.4485 -10.5792 -10.5787 -10.0856 -10.0839 -8.6741 -8.6689 -8.4125 -8.4042 -3.7612 -3.7596 -2.5491 -2.5459 -2.5226 -2.5190 -0.9255 -0.9161 -0.4484 -0.4416 0.0468 0.0479 0.4940 0.4987 1.0660 1.0760 1.6644 1.6753 1.9532 1.9652 2.3883 2.4003 2.8855 2.8941 3.0513 3.0606 3.5975 3.5987 3.6342 3.6430 4.3754 4.3774 4.5199 4.5215 5.3280 5.3332 11.4377 11.4392 12.1455 12.1525 12.5641 12.5712 13.1179 13.1182 13.2877 13.2881 k = 0.1642 0.2654-0.0000 ( 4315 PWs) bands (ev): -13.8494 -13.8493 -13.4495 -13.4495 -10.5549 -10.5544 -10.1480 -10.1465 -8.6614 -8.6560 -8.4109 -8.4026 -3.7497 -3.7481 -2.4965 -2.4935 -2.4884 -2.4846 -0.9591 -0.9497 -0.4872 -0.4802 0.0740 0.0752 0.5494 0.5543 1.0241 1.0344 1.6191 1.6303 2.0056 2.0178 2.3788 2.3915 2.8558 2.8643 3.0052 3.0148 3.6102 3.6169 3.6244 3.6278 4.3376 4.3395 4.5317 4.5332 5.3121 5.3175 11.5078 11.5096 12.1461 12.1535 12.6041 12.6115 13.1264 13.1277 13.3086 13.3092 k = 0.1728 0.2794-0.0000 ( 4315 PWs) bands (ev): -13.8413 -13.8412 -13.4504 -13.4504 -10.5293 -10.5287 -10.2097 -10.2082 -8.6484 -8.6427 -8.4118 -8.4035 -3.7369 -3.7353 -2.4526 -2.4489 -2.4447 -2.4414 -0.9919 -0.9826 -0.5285 -0.5212 0.1035 0.1049 0.6079 0.6131 0.9792 0.9897 1.5734 1.5848 2.0563 2.0686 2.3690 2.3822 2.8175 2.8258 2.9700 2.9799 3.5968 3.6071 3.6417 3.6418 4.2979 4.2997 4.5442 4.5458 5.2954 5.3010 11.5785 11.5804 12.1461 12.1539 12.6428 12.6506 13.1333 13.1351 13.3382 13.3393 k = 0.1815 0.2934-0.0000 ( 4319 PWs) bands (ev): -13.8330 -13.8329 -13.4514 -13.4514 -10.5023 -10.5017 -10.2705 -10.2692 -8.6351 -8.6292 -8.4150 -8.4067 -3.7231 -3.7215 -2.4152 -2.4111 -2.3937 -2.3906 -1.0235 -1.0143 -0.5723 -0.5647 0.1350 0.1365 0.6692 0.6748 0.9310 0.9417 1.5277 1.5393 2.1051 2.1175 2.3588 2.3725 2.7709 2.7790 2.9456 2.9559 3.5790 3.5892 3.6650 3.6651 4.2565 4.2583 4.5575 4.5591 5.2779 5.2836 11.6495 11.6516 12.1456 12.1538 12.6787 12.6869 13.1428 13.1447 13.3736 13.3747 k = 0.1901 0.3073-0.0000 ( 4325 PWs) bands (ev): -13.8245 -13.8244 -13.4524 -13.4523 -10.4740 -10.4733 -10.3305 -10.3293 -8.6218 -8.6156 -8.4203 -8.4121 -3.7086 -3.7070 -2.3762 -2.3719 -2.3437 -2.3407 -1.0535 -1.0444 -0.6184 -0.6105 0.1683 0.1700 0.7332 0.7391 0.8795 0.8903 1.4823 1.4940 2.1520 2.1645 2.3485 2.3626 2.7191 2.7270 2.9292 2.9397 3.5603 3.5705 3.6904 3.6906 4.2136 4.2153 4.5716 4.5733 5.2594 5.2653 11.7205 11.7229 12.1446 12.1532 12.7100 12.7184 13.1585 13.1604 13.4123 13.4131 k = 0.1988 0.3213-0.0000 ( 4321 PWs) bands (ev): -13.8159 -13.8158 -13.4533 -13.4533 -10.4444 -10.4437 -10.3895 -10.3884 -8.6083 -8.6019 -8.4276 -8.4195 -3.6936 -3.6920 -2.3356 -2.3311 -2.2949 -2.2920 -1.0815 -1.0725 -0.6667 -0.6585 0.2030 0.2050 0.7996 0.8058 0.8246 0.8354 1.4375 1.4495 2.1970 2.2096 2.3380 2.3524 2.6651 2.6731 2.9179 2.9284 3.5411 3.5514 3.7177 3.7181 4.1694 4.1710 4.5866 4.5884 5.2399 5.2459 11.7916 11.7942 12.1433 12.1524 12.7348 12.7434 13.1831 13.1849 13.4524 13.4530 k = 0.2074 0.3353-0.0000 ( 4325 PWs) bands (ev): -13.8073 -13.8072 -13.4543 -13.4542 -10.4475 -10.4465 -10.4135 -10.4127 -8.5949 -8.5883 -8.4368 -8.4287 -3.6785 -3.6769 -2.2935 -2.2888 -2.2474 -2.2446 -1.1073 -1.0984 -0.7170 -0.7086 0.2391 0.2413 0.7663 0.7771 0.8682 0.8747 1.3937 1.4058 2.2400 2.2528 2.3275 2.3420 2.6111 2.6191 2.9097 2.9203 3.5216 3.5319 3.7469 3.7474 4.1241 4.1256 4.6025 4.6043 5.2194 5.2255 11.8624 11.8652 12.1418 12.1513 12.7523 12.7608 13.2180 13.2198 13.4929 13.4932 k = 0.2160 0.3492-0.0000 ( 4325 PWs) bands (ev): -13.7987 -13.7985 -13.4552 -13.4552 -10.5044 -10.5034 -10.3813 -10.3805 -8.5816 -8.5748 -8.4475 -8.4395 -3.6634 -3.6619 -2.2499 -2.2451 -2.2012 -2.1985 -1.1305 -1.1218 -0.7690 -0.7605 0.2763 0.2787 0.7045 0.7152 0.9386 0.9454 1.3511 1.3633 2.2812 2.2941 2.3168 2.3315 2.5583 2.5664 2.9035 2.9140 3.5018 3.5122 3.7779 3.7785 4.0777 4.0791 4.6192 4.6210 5.1979 5.2041 11.9329 11.9360 12.1403 12.1501 12.7623 12.7707 13.2630 13.2649 13.5327 13.5328 k = 0.2247 0.3632-0.0000 ( 4329 PWs) bands (ev): -13.7900 -13.7899 -13.4561 -13.4560 -10.5601 -10.5592 -10.3479 -10.3469 -8.5684 -8.5614 -8.4597 -8.4519 -3.6487 -3.6472 -2.2050 -2.2000 -2.1565 -2.1540 -1.1511 -1.1425 -0.8226 -0.8139 0.3143 0.3169 0.6393 0.6499 1.0107 1.0178 1.3097 1.3220 2.3052 2.3206 2.3214 2.3337 2.5077 2.5159 2.8985 2.9090 3.4819 3.4924 3.8108 3.8115 4.0305 4.0319 4.6368 4.6387 5.1754 5.1817 12.0030 12.0064 12.1388 12.1491 12.7660 12.7740 13.3169 13.3189 13.5709 13.5710 k = 0.2333 0.3772-0.0000 ( 4317 PWs) bands (ev): -13.7814 -13.7812 -13.4569 -13.4569 -10.6146 -10.6137 -10.3131 -10.3122 -8.5556 -8.5484 -8.4732 -8.4655 -3.6346 -3.6332 -2.1588 -2.1537 -2.1134 -2.1110 -1.1687 -1.1602 -0.8774 -0.8685 0.3530 0.3558 0.5709 0.5813 1.0841 1.0914 1.2698 1.2821 2.2941 2.3093 2.3588 2.3716 2.4600 2.4683 2.8942 2.9046 3.4619 3.4726 3.8454 3.8463 3.9827 3.9839 4.6552 4.6572 5.1519 5.1583 12.0726 12.0762 12.1376 12.1483 12.7646 12.7724 13.3776 13.3798 13.5841 13.5953 k = 0.2420 0.3912-0.0000 ( 4317 PWs) bands (ev): -13.7728 -13.7727 -13.4577 -13.4577 -10.6677 -10.6670 -10.2772 -10.2761 -8.5432 -8.5358 -8.4878 -8.4802 -3.6213 -3.6199 -2.1114 -2.1062 -2.0719 -2.0697 -1.1833 -1.1750 -0.9330 -0.9240 0.3922 0.3952 0.4993 0.5095 1.1585 1.1662 1.2312 1.2436 2.2819 2.2968 2.3950 2.4071 2.4169 2.4245 2.8902 2.9005 3.4421 3.4530 3.8817 3.8826 3.9344 3.9355 4.6746 4.6766 5.1275 5.1339 12.1363 12.1411 12.1456 12.1481 12.7596 12.7670 13.4431 13.4452 13.5416 13.5516 k = 0.2506 0.4051-0.0000 ( 4321 PWs) bands (ev): -13.7643 -13.7642 -13.4584 -13.4584 -10.7196 -10.7189 -10.2400 -10.2389 -8.5313 -8.5238 -8.5033 -8.4959 -3.6090 -3.6076 -2.0630 -2.0576 -2.0322 -2.0301 -1.1948 -1.1867 -0.9890 -0.9799 0.4250 0.4315 0.4347 0.4349 1.1938 1.2060 1.2339 1.2416 2.2679 2.2822 2.3770 2.3850 2.4303 2.4433 2.8862 2.8963 3.4226 3.4336 3.8857 3.8865 3.9197 3.9209 4.6947 4.6968 5.1022 5.1087 12.1361 12.1476 12.2094 12.2136 12.7521 12.7593 13.4920 13.5011 13.5110 13.5127 k = 0.2592 0.4191-0.0000 ( 4325 PWs) bands (ev): -13.7560 -13.7559 -13.4591 -13.4591 -10.7701 -10.7695 -10.2016 -10.2004 -8.5200 -8.5196 -8.5124 -8.5123 -3.5979 -3.5965 -2.0137 -2.0082 -1.9942 -1.9922 -1.2031 -1.1952 -1.0450 -1.0357 0.3480 0.3576 0.4708 0.4742 1.1577 1.1701 1.3094 1.3175 2.2512 2.2637 2.3454 2.3519 2.4640 2.4771 2.8819 2.8917 3.4035 3.4146 3.8369 3.8376 3.9591 3.9604 4.7157 4.7178 5.0762 5.0827 12.1361 12.1480 12.2759 12.2804 12.7434 12.7503 13.4372 13.4459 13.5770 13.5785 k = 0.2679 0.4331-0.0000 ( 4319 PWs) bands (ev): -13.7478 -13.7477 -13.4597 -13.4597 -10.8191 -10.8186 -10.1621 -10.1608 -8.5366 -8.5295 -8.5094 -8.5017 -3.5879 -3.5866 -1.9641 -1.9585 -1.9578 -1.9560 -1.2083 -1.2006 -1.1003 -1.0909 0.2687 0.2781 0.5098 0.5135 1.1227 1.1350 1.3851 1.3935 2.2306 2.2402 2.3220 2.3259 2.4968 2.5099 2.8769 2.8864 3.3849 3.3962 3.7882 3.7886 4.0000 4.0014 4.7375 4.7397 5.0495 5.0560 12.1367 12.1490 12.3404 12.3451 12.7345 12.7412 13.3784 13.3867 13.6361 13.6367 k = 0.2765 0.4470-0.0000 ( 4319 PWs) bands (ev): -13.7398 -13.7397 -13.4602 -13.4602 -10.8667 -10.8662 -10.1215 -10.1201 -8.5540 -8.5471 -8.4998 -8.4918 -3.5793 -3.5780 -1.9239 -1.9221 -1.9135 -1.9081 -1.2106 -1.2030 -1.1541 -1.1448 0.1875 0.1965 0.5484 0.5522 1.0884 1.1008 1.4607 1.4694 2.2064 2.2130 2.3056 2.3068 2.5287 2.5419 2.8711 2.8801 3.3671 3.3785 3.7396 3.7398 4.0422 4.0437 4.7601 4.7624 5.0222 5.0287 12.1378 12.1505 12.4013 12.4063 12.7273 12.7338 13.3171 13.3249 13.6795 13.6796 k = 0.2852 0.4610-0.0000 ( 4323 PWs) bands (ev): -13.7320 -13.7319 -13.4607 -13.4607 -10.9128 -10.9123 -10.0798 -10.0783 -8.5717 -8.5650 -8.4911 -8.4830 -3.5721 -3.5708 -1.8912 -1.8897 -1.8639 -1.8584 -1.2121 -1.2034 -1.2024 -1.1964 0.1046 0.1132 0.5862 0.5902 1.0548 1.0672 1.5359 1.5448 2.1804 2.1845 2.2930 2.2938 2.5600 2.5732 2.8640 2.8726 3.3503 3.3618 3.6913 3.6915 4.0857 4.0874 4.7834 4.7857 4.9944 5.0009 12.1396 12.1526 12.4562 12.4614 12.7246 12.7308 13.2543 13.2616 13.7059 13.7061 k = 0.2938 0.4750-0.0000 ( 4319 PWs) bands (ev): -13.7245 -13.7244 -13.4610 -13.4610 -10.9573 -10.9568 -10.0371 -10.0355 -8.5897 -8.5832 -8.4835 -8.4754 -3.5662 -3.5650 -1.8604 -1.8590 -1.8155 -1.8101 -1.2548 -1.2446 -1.2053 -1.1989 0.0203 0.0286 0.6230 0.6271 1.0217 1.0340 1.6103 1.6194 2.1542 2.1567 2.2828 2.2848 2.5908 2.6040 2.8556 2.8636 3.3344 3.3461 3.6434 3.6440 4.1303 4.1321 4.8073 4.8098 4.9664 4.9727 12.1419 12.1552 12.5006 12.5054 12.7314 12.7368 13.1912 13.1980 13.7214 13.7216 k = 0.3025 0.4889-0.0000 ( 4319 PWs) bands (ev): -13.7173 -13.7172 -13.4612 -13.4612 -11.0002 -10.9998 -9.9933 -9.9917 -8.6077 -8.6015 -8.4771 -8.4689 -3.5618 -3.5606 -1.8313 -1.8300 -1.7700 -1.7648 -1.2976 -1.2873 -1.1992 -1.1929 -0.0649 -0.0569 0.6586 0.6629 0.9887 1.0010 1.6836 1.6929 2.1290 2.1306 2.2749 2.2774 2.6212 2.6344 2.8456 2.8528 3.3198 3.3316 3.5963 3.5974 4.1760 4.1779 4.8319 4.8344 4.9380 4.9444 12.1447 12.1583 12.5291 12.5327 12.7535 12.7573 13.1287 13.1351 13.7302 13.7303 k = 0.3111 0.5029-0.0000 ( 4323 PWs) bands (ev): -13.7103 -13.7102 -13.4614 -13.4614 -11.0415 -11.0411 -9.9487 -9.9469 -8.6257 -8.6197 -8.4721 -8.4638 -3.5586 -3.5575 -1.8039 -1.8027 -1.7301 -1.7251 -1.3322 -1.3216 -1.1905 -1.1844 -0.1508 -0.1432 0.6929 0.6972 0.9557 0.9680 1.7556 1.7651 2.1057 2.1066 2.2687 2.2713 2.6513 2.6645 2.8337 2.8402 3.3063 3.3183 3.5502 3.5520 4.2226 4.2247 4.8570 4.8596 4.9096 4.9159 12.1478 12.1616 12.5400 12.5422 12.7921 12.7940 13.0677 13.0736 13.7343 13.7343 k = 0.3197 0.5169-0.0000 ( 4307 PWs) bands (ev): -13.7037 -13.7036 -13.4614 -13.4614 -11.0811 -11.0808 -9.9032 -9.9013 -8.6435 -8.6378 -8.4685 -8.4602 -3.5567 -3.5557 -1.7780 -1.7769 -1.6999 -1.6952 -1.3541 -1.3431 -1.1797 -1.1739 -0.2370 -0.2298 0.7255 0.7299 0.9224 0.9347 1.8259 1.8355 2.0844 2.0849 2.2637 2.2661 2.6813 2.6944 2.8200 2.8256 3.2941 3.3063 3.5054 3.5079 4.2700 4.2723 4.8812 4.8825 4.8848 4.8878 12.1511 12.1650 12.5376 12.5386 12.8423 12.8428 13.0090 13.0145 13.7348 13.7349 k = 0.3284 0.5309-0.0000 ( 4319 PWs) bands (ev): -13.6974 -13.6973 -13.4613 -13.4613 -11.1191 -11.1188 -9.8569 -9.8549 -8.6612 -8.6556 -8.4666 -8.4583 -3.5561 -3.5550 -1.7536 -1.7526 -1.6843 -1.6797 -1.3581 -1.3469 -1.1670 -1.1615 -0.3233 -0.3164 0.7563 0.7608 0.8886 0.9010 1.8942 1.9039 2.0654 2.0657 2.2597 2.2616 2.7112 2.7242 2.8042 2.8089 3.2830 3.2956 3.4621 3.4656 4.3182 4.3207 4.8531 4.8590 4.9082 4.9112 12.1543 12.1682 12.5271 12.5274 12.8982 12.8988 12.9536 12.9585 13.7326 13.7327 k = 0.3370 0.5448-0.0000 ( 4319 PWs) bands (ev): -13.6914 -13.6913 -13.4611 -13.4611 -11.1553 -11.1551 -9.8099 -9.8077 -8.6784 -8.6731 -8.4663 -8.4580 -3.5564 -3.5554 -1.7306 -1.7297 -1.6851 -1.6806 -1.3420 -1.3309 -1.1528 -1.1476 -0.4093 -0.4028 0.7853 0.7897 0.8542 0.8666 1.9603 1.9700 2.0488 2.0490 2.2564 2.2578 2.7410 2.7539 2.7865 2.7901 3.2727 3.2859 3.4207 3.4255 4.3669 4.3695 4.8252 4.8310 4.9342 4.9373 12.1570 12.1707 12.5120 12.5122 12.9017 12.9060 12.9573 12.9586 13.7282 13.7283 k = 0.3457 0.5588-0.0000 ( 4320 PWs) bands (ev): -13.6858 -13.6857 -13.4608 -13.4607 -11.1899 -11.1896 -9.7622 -9.7599 -8.6953 -8.6902 -8.4679 -8.4596 -3.5578 -3.5568 -1.7091 -1.7081 -1.6990 -1.6945 -1.3091 -1.2982 -1.1373 -1.1324 -0.4947 -0.4886 0.8121 0.8154 0.8203 0.8315 2.0238 2.0320 2.0348 2.0361 2.2539 2.2546 2.7667 2.7683 2.7718 2.7835 3.2627 3.2768 3.3818 3.3883 4.4161 4.4189 4.7977 4.8034 4.9603 4.9635 12.1588 12.1722 12.4943 12.4947 12.8550 12.8585 13.0175 13.0193 13.7222 13.7223 k = 0.3457 0.5588-0.0000 ( 4320 PWs) bands (ev): -13.6858 -13.6857 -13.4608 -13.4607 -11.1899 -11.1896 -9.7622 -9.7599 -8.6953 -8.6902 -8.4679 -8.4596 -3.5578 -3.5568 -1.7091 -1.7081 -1.6990 -1.6945 -1.3091 -1.2982 -1.1373 -1.1324 -0.4947 -0.4886 0.8121 0.8154 0.8203 0.8315 2.0238 2.0320 2.0348 2.0361 2.2539 2.2546 2.7667 2.7683 2.7718 2.7835 3.2627 3.2768 3.3818 3.3883 4.4161 4.4189 4.7977 4.8034 4.9603 4.9635 12.1588 12.1722 12.4943 12.4947 12.8550 12.8585 13.0175 13.0193 13.7222 13.7223 k = 0.3292 0.5588-0.0000 ( 4318 PWs) bands (ev): -13.6889 -13.6888 -13.4610 -13.4610 -11.1711 -11.1709 -9.7878 -9.7856 -8.6864 -8.6812 -8.4667 -8.4584 -3.5565 -3.5555 -1.7612 -1.7596 -1.6529 -1.6501 -1.3277 -1.3167 -1.1439 -1.1389 -0.4483 -0.4421 0.7966 0.8010 0.8395 0.8518 1.9876 1.9971 2.0439 2.0446 2.2549 2.2560 2.7459 2.7570 2.7864 2.7917 3.2679 3.2815 3.4028 3.4084 4.3901 4.3928 4.8117 4.8174 4.9476 4.9506 12.1586 12.1722 12.5023 12.5030 12.8754 12.8794 12.9880 12.9895 13.7100 13.7115 k = 0.3127 0.5588-0.0000 ( 4313 PWs) bands (ev): -13.6924 -13.6923 -13.4614 -13.4614 -11.1504 -11.1501 -9.8140 -9.8119 -8.6773 -8.6720 -8.4659 -8.4576 -3.5544 -3.5534 -1.8224 -1.8209 -1.6089 -1.6064 -1.3414 -1.3303 -1.1466 -1.1414 -0.3995 -0.3930 0.7779 0.7823 0.8627 0.8751 1.9481 1.9577 2.0552 2.0558 2.2552 2.2567 2.7219 2.7340 2.8056 2.8103 3.2727 3.2859 3.4259 3.4309 4.3643 4.3669 4.8242 4.8297 4.9375 4.9403 12.1595 12.1732 12.5071 12.5084 12.8855 12.8895 12.9678 12.9683 13.6968 13.6991 k = 0.2963 0.5588-0.0000 ( 4318 PWs) bands (ev): -13.6962 -13.6961 -13.4620 -13.4620 -11.1277 -11.1274 -9.8410 -9.8389 -8.6680 -8.6626 -8.4655 -8.4572 -3.5514 -3.5503 -1.8872 -1.8859 -1.5730 -1.5706 -1.3496 -1.3385 -1.1443 -1.1390 -0.3487 -0.3421 0.7565 0.7609 0.8885 0.9009 1.9057 1.9154 2.0678 2.0684 2.2540 2.2559 2.6986 2.7111 2.8249 2.8294 3.2771 3.2899 3.4502 3.4548 4.3392 4.3417 4.8336 4.8386 4.9318 4.9339 12.1621 12.1758 12.5089 12.5109 12.8774 12.8805 12.9625 12.9640 13.6887 13.6914 k = 0.2798 0.5588-0.0000 ( 4320 PWs) bands (ev): -13.7003 -13.7002 -13.4627 -13.4627 -11.1033 -11.1030 -9.8686 -9.8666 -8.6586 -8.6530 -8.4654 -8.4571 -3.5474 -3.5462 -1.9545 -1.9533 -1.5474 -1.5448 -1.3521 -1.3414 -1.1354 -1.1301 -0.2966 -0.2900 0.7329 0.7372 0.9168 0.9292 1.8608 1.8706 2.0813 2.0823 2.2506 2.2530 2.6767 2.6895 2.8442 2.8486 3.2809 3.2934 3.4750 3.4794 4.3152 4.3175 4.8383 4.8423 4.9320 4.9331 12.1666 12.1804 12.5084 12.5110 12.8556 12.8580 12.9667 12.9699 13.6869 13.6901 k = 0.2634 0.5588-0.0000 ( 4325 PWs) bands (ev): -13.7045 -13.7044 -13.4636 -13.4636 -11.0772 -11.0769 -9.8969 -9.8950 -8.6491 -8.6434 -8.4655 -8.4573 -3.5421 -3.5409 -2.0232 -2.0221 -1.5327 -1.5299 -1.3500 -1.3402 -1.1186 -1.1133 -0.2438 -0.2371 0.7077 0.7119 0.9474 0.9598 1.8137 1.8235 2.0953 2.0971 2.2444 2.2474 2.6569 2.6697 2.8635 2.8679 3.2839 3.2961 3.4996 3.5039 4.2925 4.2946 4.8378 4.8406 4.9379 4.9385 12.1733 12.1870 12.5060 12.5092 12.8291 12.8314 12.9711 12.9752 13.6923 13.6958 k = 0.2469 0.5588-0.0000 ( 4327 PWs) bands (ev): -13.7088 -13.7087 -13.4646 -13.4646 -11.0495 -11.0492 -9.9259 -9.9241 -8.6395 -8.6337 -8.4660 -8.4578 -3.5355 -3.5342 -2.0926 -2.0916 -1.5273 -1.5242 -1.3459 -1.3374 -1.0930 -1.0879 -0.1908 -0.1842 0.6814 0.6854 0.9802 0.9926 1.7645 1.7743 2.1089 2.1120 2.2353 2.2392 2.6398 2.6524 2.8827 2.8871 3.2860 3.2981 3.5233 3.5277 4.2716 4.2735 4.8332 4.8351 4.9476 4.9491 12.1821 12.1957 12.5023 12.5062 12.8016 12.8041 12.9715 12.9762 13.7049 13.7086 k = 0.2304 0.5588-0.0000 ( 4327 PWs) bands (ev): -13.7132 -13.7131 -13.4658 -13.4657 -11.0205 -11.0202 -9.9556 -9.9538 -8.6299 -8.6239 -8.4669 -8.4586 -3.5275 -3.5262 -2.1620 -2.1612 -1.5283 -1.5250 -1.3424 -1.3351 -1.0595 -1.0546 -0.1383 -0.1318 0.6548 0.6586 1.0150 1.0273 1.7135 1.7234 2.1203 2.1256 2.2241 2.2295 2.6258 2.6379 2.9019 2.9062 3.2871 3.2990 3.5456 3.5502 4.2527 4.2544 4.8266 4.8279 4.9598 4.9620 12.1931 12.2067 12.4980 12.5024 12.7745 12.7773 12.9667 12.9719 13.7242 13.7279 k = 0.2140 0.5588-0.0000 ( 4325 PWs) bands (ev): -13.7175 -13.7174 -13.4670 -13.4669 -10.9902 -10.9898 -9.9859 -9.9842 -8.6203 -8.6143 -8.4680 -8.4598 -3.5180 -3.5166 -2.2310 -2.2302 -1.5331 -1.5298 -1.3405 -1.3344 -1.0198 -1.0150 -0.0870 -0.0806 0.6288 0.6322 1.0516 1.0640 1.6610 1.6709 2.1260 2.1344 2.2140 2.2217 2.6149 2.6264 2.9208 2.9251 3.2869 3.2988 3.5660 3.5708 4.2362 4.2376 4.8191 4.8201 4.9732 4.9758 12.2063 12.2197 12.4936 12.4985 12.7482 12.7512 12.9571 12.9625 13.7491 13.7528 k = 0.1975 0.5588-0.0000 ( 4330 PWs) bands (ev): -13.7218 -13.7217 -13.4682 -13.4682 -10.9588 -10.9584 -10.0168 -10.0152 -8.6108 -8.6046 -8.4694 -8.4613 -3.5069 -3.5055 -2.2990 -2.2983 -1.5400 -1.5367 -1.3403 -1.3352 -0.9757 -0.9711 -0.0378 -0.0318 0.6043 0.6073 1.0900 1.1023 1.6071 1.6169 2.1207 2.1314 2.2117 2.2210 2.6067 2.6176 2.9396 2.9439 3.2855 3.2971 3.5842 3.5892 4.2222 4.2233 4.8118 4.8127 4.9868 4.9897 12.2214 12.2347 12.4898 12.4951 12.7227 12.7261 12.9432 12.9487 13.7778 13.7815 k = 0.1811 0.5588-0.0000 ( 4328 PWs) bands (ev): -13.7258 -13.7258 -13.4695 -13.4695 -10.9265 -10.9261 -10.0482 -10.0466 -8.6014 -8.5951 -8.4712 -8.4631 -3.4942 -3.4927 -2.3656 -2.3649 -1.5478 -1.5447 -1.3414 -1.3371 -0.9291 -0.9246 0.0079 0.0134 0.5831 0.5854 1.1298 1.1421 1.5521 1.5618 2.1028 2.1138 2.2204 2.2291 2.6010 2.6111 2.9581 2.9624 3.2826 3.2940 3.6000 3.6051 4.2107 4.2117 4.8050 4.8059 5.0000 5.0030 12.2383 12.2515 12.4870 12.4927 12.6981 12.7018 12.9260 12.9315 13.8080 13.8118 k = 0.1646 0.5588-0.0000 ( 4334 PWs) bands (ev): -13.7297 -13.7297 -13.4708 -13.4708 -10.8935 -10.8930 -10.0801 -10.0786 -8.5922 -8.5858 -8.4732 -8.4652 -3.4799 -3.4784 -2.4304 -2.4297 -1.5560 -1.5531 -1.3433 -1.3397 -0.8812 -0.8769 0.0484 0.0532 0.5669 0.5683 1.1710 1.1832 1.4960 1.5057 2.0758 2.0864 2.2355 2.2430 2.5970 2.6064 2.9763 2.9806 3.2782 3.2893 3.6134 3.6185 4.2017 4.2027 4.7992 4.8001 5.0126 5.0156 12.2567 12.2696 12.4858 12.4918 12.6745 12.6783 12.9062 12.9117 13.8361 13.8398 k = 0.1481 0.5588-0.0000 ( 4343 PWs) bands (ev): -13.7334 -13.7333 -13.4721 -13.4721 -10.8600 -10.8595 -10.1122 -10.1108 -8.5832 -8.5767 -8.4756 -8.4676 -3.4641 -3.4626 -2.4929 -2.4923 -1.5641 -1.5613 -1.3457 -1.3426 -0.8332 -0.8289 0.0817 0.0855 0.5582 0.5587 1.2134 1.2255 1.4392 1.4488 2.0429 2.0533 2.2532 2.2597 2.5943 2.6030 2.9943 2.9986 3.2722 3.2830 3.6243 3.6295 4.1950 4.1960 4.7944 4.7953 5.0242 5.0272 12.2761 12.2888 12.4867 12.4928 12.6518 12.6557 12.8845 12.8900 13.8554 13.8588 k = 0.1317 0.5588-0.0000 ( 4341 PWs) bands (ev): -13.7368 -13.7367 -13.4733 -13.4733 -10.8262 -10.8257 -10.1444 -10.1431 -8.5744 -8.5678 -8.4783 -8.4704 -3.4469 -3.4455 -2.5527 -2.5520 -1.5717 -1.5693 -1.3482 -1.3456 -0.7858 -0.7818 0.1055 0.1081 0.5583 0.5597 1.2567 1.2688 1.3819 1.3913 2.0061 2.0165 2.2717 2.2775 2.5924 2.6004 3.0119 3.0163 3.2646 3.2750 3.6332 3.6382 4.1904 4.1914 4.7906 4.7915 5.0347 5.0376 12.2962 12.3087 12.4898 12.4961 12.6302 12.6341 12.8615 12.8670 13.8588 13.8615 k = 0.1152 0.5588-0.0000 ( 4341 PWs) bands (ev): -13.7398 -13.7398 -13.4745 -13.4744 -10.7926 -10.7921 -10.1766 -10.1753 -8.5659 -8.5592 -8.4814 -8.4735 -3.4287 -3.4272 -2.6093 -2.6086 -1.5788 -1.5766 -1.3507 -1.3484 -0.7400 -0.7362 0.1186 0.1199 0.5694 0.5723 1.3003 1.3124 1.3250 1.3338 1.9667 1.9771 2.2900 2.2952 2.5910 2.5983 3.0292 3.0336 3.2556 3.2654 3.6402 3.6449 4.1875 4.1885 4.7878 4.7887 5.0441 5.0467 12.3165 12.3286 12.4953 12.5015 12.6103 12.6138 12.8377 12.8432 13.8480 13.8503 k = 0.0988 0.5588-0.0000 ( 4339 PWs) bands (ev): -13.7425 -13.7425 -13.4755 -13.4755 -10.7595 -10.7589 -10.2082 -10.2070 -8.5577 -8.5510 -8.4847 -8.4770 -3.4096 -3.4083 -2.6619 -2.6612 -1.5851 -1.5832 -1.3529 -1.3511 -0.6966 -0.6931 0.1214 0.1217 0.5918 0.5961 1.2660 1.2754 1.3461 1.3578 1.9254 1.9359 2.3076 2.3121 2.5898 2.5963 3.0461 3.0506 3.2452 3.2544 3.6456 3.6499 4.1859 4.1869 4.7860 4.7868 5.0522 5.0546 12.3364 12.3482 12.5021 12.5081 12.5932 12.5959 12.8131 12.8188 13.8305 13.8327 k = 0.0823 0.5588-0.0000 ( 4340 PWs) bands (ev): -13.7449 -13.7448 -13.4764 -13.4764 -10.7274 -10.7269 -10.2389 -10.2378 -8.5499 -8.5431 -8.4884 -8.4808 -3.3905 -3.3892 -2.7098 -2.7091 -1.5906 -1.5890 -1.3549 -1.3534 -0.6565 -0.6533 0.1156 0.1162 0.6237 0.6290 1.2089 1.2179 1.3910 1.4026 1.8829 1.8934 2.3238 2.3277 2.5887 2.5944 3.0627 3.0671 3.2337 3.2423 3.6498 3.6536 4.1853 4.1862 4.7849 4.7856 5.0590 5.0611 12.3558 12.3671 12.5074 12.5134 12.5817 12.5836 12.7881 12.7938 13.8114 13.8134 k = 0.0658 0.5588-0.0000 ( 4340 PWs) bands (ev): -13.7468 -13.7468 -13.4772 -13.4772 -10.6973 -10.6968 -10.2677 -10.2668 -8.5424 -8.5357 -8.4923 -8.4849 -3.3720 -3.3709 -2.7520 -2.7514 -1.5952 -1.5939 -1.3566 -1.3554 -0.6209 -0.6181 0.1049 0.1059 0.6625 0.6684 1.1527 1.1613 1.4359 1.4472 1.8400 1.8504 2.3381 2.3415 2.5877 2.5924 3.0787 3.0831 3.2215 3.2293 3.6530 3.6561 4.1852 4.1860 4.7844 4.7850 5.0646 5.0663 12.3745 12.3854 12.5053 12.5125 12.5792 12.5834 12.7628 12.7686 13.7933 13.7951 k = 0.0494 0.5588-0.0000 ( 4348 PWs) bands (ev): -13.7484 -13.7484 -13.4778 -13.4778 -10.6704 -10.6699 -10.2936 -10.2928 -8.5354 -8.5289 -8.4964 -8.4893 -3.3552 -3.3543 -2.7873 -2.7867 -1.5987 -1.5977 -1.3579 -1.3571 -0.5909 -0.5886 0.0927 0.0937 0.7049 0.7111 1.0988 1.1068 1.4800 1.4907 1.7976 1.8077 2.3501 2.3527 2.5868 2.5905 3.0939 3.0983 3.2091 3.2160 3.6554 3.6578 4.1855 4.1861 4.7842 4.7847 5.0690 5.0703 12.3926 12.4030 12.4947 12.5030 12.5890 12.5949 12.7372 12.7432 13.7778 13.7792 k = 0.0329 0.5588-0.0000 ( 4346 PWs) bands (ev): -13.7495 -13.7495 -13.4783 -13.4783 -10.6483 -10.6480 -10.3148 -10.3142 -8.5290 -8.5230 -8.5002 -8.4939 -3.3416 -3.3409 -2.8141 -2.8137 -1.6012 -1.6006 -1.3589 -1.3583 -0.5679 -0.5663 0.0818 0.0827 0.7473 0.7531 1.0497 1.0567 1.5218 1.5314 1.7577 1.7669 2.3592 2.3611 2.5862 2.5888 3.1078 3.1117 3.1976 3.2032 3.6571 3.6588 4.1859 4.1863 4.7843 4.7847 5.0721 5.0730 12.4103 12.4202 12.4796 12.4883 12.6067 12.6130 12.7119 12.7179 13.7661 13.7671 k = 0.0165 0.5588-0.0000 ( 4346 PWs) bands (ev): -13.7502 -13.7501 -13.4786 -13.4786 -10.6335 -10.6333 -10.3290 -10.3287 -8.5233 -8.5191 -8.5029 -8.4984 -3.3325 -3.3322 -2.8310 -2.8308 -1.6027 -1.6024 -1.3594 -1.3591 -0.5533 -0.5525 0.0744 0.0749 0.7833 0.7873 1.0118 1.0163 1.5572 1.5639 1.7255 1.7320 2.3651 2.3661 2.5860 2.5874 3.1190 3.1216 3.1889 3.1924 3.6583 3.6591 4.1862 4.1864 4.7845 4.7847 5.0741 5.0746 12.4277 12.4372 12.4629 12.4718 12.6274 12.6331 12.6884 12.6938 13.7589 13.7594 k = 0.0000 0.5588-0.0000 ( 4348 PWs) bands (ev): -13.7504 -13.7504 -13.4787 -13.4787 -10.6281 -10.6281 -10.3340 -10.3340 -8.5194 -8.5194 -8.5021 -8.5021 -3.3293 -3.3293 -2.8367 -2.8367 -1.6031 -1.6031 -1.3594 -1.3594 -0.5480 -0.5480 0.0719 0.0719 0.8002 0.8002 0.9978 0.9978 1.5755 1.5755 1.7140 1.7140 2.3674 2.3674 2.5864 2.5864 3.1245 3.1245 3.1867 3.1867 3.6590 3.6590 4.1864 4.1864 4.7846 4.7846 5.0749 5.0749 12.4448 12.4448 12.4552 12.4552 12.6430 12.6430 12.6773 12.6773 13.7566 13.7566 k = 0.0000 0.5588-0.0000 ( 4348 PWs) bands (ev): -13.7504 -13.7504 -13.4787 -13.4787 -10.6281 -10.6281 -10.3340 -10.3340 -8.5194 -8.5194 -8.5021 -8.5021 -3.3293 -3.3293 -2.8367 -2.8367 -1.6031 -1.6031 -1.3594 -1.3594 -0.5480 -0.5480 0.0719 0.0719 0.8002 0.8002 0.9978 0.9978 1.5755 1.5755 1.7140 1.7140 2.3674 2.3674 2.5864 2.5864 3.1245 3.1245 3.1867 3.1867 3.6590 3.6590 4.1864 4.1864 4.7846 4.7846 5.0749 5.0749 12.4448 12.4448 12.4552 12.4552 12.6430 12.6430 12.6773 12.6773 13.7566 13.7566 k = 0.0000 0.5588 0.0163 ( 4350 PWs) bands (ev): -13.7502 -13.7502 -13.4788 -13.4788 -10.6273 -10.6273 -10.3333 -10.3333 -8.5210 -8.5209 -8.5039 -8.5039 -3.3288 -3.3286 -2.8363 -2.8361 -1.6025 -1.6024 -1.3572 -1.3569 -0.5462 -0.5460 0.0720 0.0720 0.7979 0.7979 0.9953 0.9955 1.5751 1.5752 1.7151 1.7152 2.3655 2.3655 2.5871 2.5871 3.1258 3.1259 3.1875 3.1878 3.6585 3.6587 4.1868 4.1870 4.7845 4.7846 5.0746 5.0746 12.4385 12.4398 12.4506 12.4509 12.6478 12.6485 12.6754 12.6757 13.7600 13.7600 k = 0.0000 0.5588 0.0326 ( 4344 PWs) bands (ev): -13.7496 -13.7496 -13.4791 -13.4791 -10.6248 -10.6247 -10.3313 -10.3312 -8.5258 -8.5256 -8.5093 -8.5092 -3.3272 -3.3269 -2.8348 -2.8345 -1.6007 -1.6006 -1.3501 -1.3495 -0.5406 -0.5402 0.0721 0.0723 0.7909 0.7909 0.9883 0.9886 1.5739 1.5741 1.7184 1.7186 2.3598 2.3599 2.5892 2.5893 3.1297 3.1298 3.1903 3.1908 3.6573 3.6576 4.1883 4.1887 4.7842 4.7843 5.0738 5.0738 12.4223 12.4242 12.4384 12.4386 12.6606 12.6620 12.6709 12.6713 13.7700 13.7701 k = 0.0000 0.5588 0.0489 ( 4350 PWs) bands (ev): -13.7486 -13.7486 -13.4796 -13.4796 -10.6206 -10.6205 -10.3279 -10.3278 -8.5338 -8.5334 -8.5181 -8.5181 -3.3246 -3.3242 -2.8324 -2.8320 -1.5976 -1.5975 -1.3384 -1.3375 -0.5311 -0.5306 0.0724 0.0726 0.7795 0.7795 0.9768 0.9773 1.5720 1.5723 1.7237 1.7239 2.3507 2.3507 2.5926 2.5927 3.1360 3.1361 3.1949 3.1956 3.6553 3.6557 4.1908 4.1913 4.7838 4.7839 5.0723 5.0724 12.3986 12.4006 12.4195 12.4195 12.6600 12.6613 12.6826 12.6835 13.7852 13.7854 k = 0.0000 0.5588 0.0652 ( 4354 PWs) bands (ev): -13.7472 -13.7471 -13.4803 -13.4803 -10.6147 -10.6147 -10.3232 -10.3230 -8.5448 -8.5443 -8.5305 -8.5304 -3.3209 -3.3203 -2.8290 -2.8285 -1.5934 -1.5933 -1.3220 -1.3208 -0.5179 -0.5171 0.0727 0.0730 0.7640 0.7641 0.9612 0.9619 1.5693 1.5697 1.7306 1.7309 2.3385 2.3386 2.5972 2.5973 3.1442 3.1444 3.2014 3.2023 3.6525 3.6531 4.1943 4.1950 4.7831 4.7832 5.0703 5.0704 12.3703 12.3722 12.3942 12.3945 12.6491 12.6504 12.7053 12.7063 13.8039 13.8043 k = 0.0000 0.5588 0.0816 ( 4342 PWs) bands (ev): -13.7454 -13.7454 -13.4812 -13.4812 -10.6072 -10.6071 -10.3172 -10.3169 -8.5589 -8.5582 -8.5462 -8.5460 -3.3161 -3.3154 -2.8249 -2.8242 -1.5880 -1.5878 -1.3013 -1.2998 -0.5009 -0.4999 0.0730 0.0734 0.7448 0.7450 0.9421 0.9429 1.5656 1.5661 1.7386 1.7389 2.3238 2.3239 2.6028 2.6030 3.1539 3.1541 3.2096 3.2107 3.6489 3.6497 4.1988 4.1996 4.7822 4.7824 5.0677 5.0678 12.3392 12.3410 12.3638 12.3641 12.6358 12.6372 12.7301 12.7310 13.8235 13.8242 k = 0.0000 0.5588 0.0979 ( 4332 PWs) bands (ev): -13.7432 -13.7432 -13.4824 -13.4823 -10.5980 -10.5979 -10.3097 -10.3095 -8.5760 -8.5751 -8.5651 -8.5649 -3.3102 -3.3094 -2.8199 -2.8192 -1.5815 -1.5813 -1.2763 -1.2745 -0.4801 -0.4790 0.0732 0.0736 0.7226 0.7228 0.9198 0.9209 1.5611 1.5616 1.7473 1.7476 2.3071 2.3073 2.6093 2.6094 3.1645 3.1649 3.2194 3.2208 3.6445 3.6455 4.2041 4.2051 4.7810 4.7812 5.0646 5.0646 12.3066 12.3084 12.3294 12.3296 12.6209 12.6222 12.7558 12.7567 13.8417 13.8428 k = 0.0000 0.5588 0.1142 ( 4334 PWs) bands (ev): -13.7407 -13.7406 -13.4837 -13.4837 -10.5871 -10.5870 -10.3010 -10.3007 -8.5960 -8.5950 -8.5870 -8.5867 -3.3033 -3.3023 -2.8144 -2.8136 -1.5740 -1.5736 -1.2474 -1.2453 -0.4557 -0.4544 0.0731 0.0736 0.6979 0.6981 0.8950 0.8962 1.5555 1.5561 1.7559 1.7562 2.2892 2.2894 2.6164 2.6165 3.1757 3.1761 3.2307 3.2322 3.6393 3.6404 4.2102 4.2114 4.7794 4.7797 5.0608 5.0609 12.2734 12.2753 12.2920 12.2922 12.6047 12.6059 12.7820 12.7827 13.8560 13.8576 k = 0.0000 0.5588 0.1305 ( 4336 PWs) bands (ev): -13.7378 -13.7377 -13.4852 -13.4852 -10.5746 -10.5745 -10.2909 -10.2905 -8.6191 -8.6179 -8.6115 -8.6112 -3.2953 -3.2943 -2.8083 -2.8075 -1.5653 -1.5649 -1.2149 -1.2125 -0.4276 -0.4261 0.0725 0.0732 0.6714 0.6718 0.8680 0.8693 1.5489 1.5496 1.7640 1.7643 2.2707 2.2709 2.6239 2.6240 3.1869 3.1874 3.2432 3.2449 3.6333 3.6346 4.2170 4.2183 4.7776 4.7778 5.0564 5.0565 12.2401 12.2424 12.2529 12.2539 12.5877 12.5888 12.8083 12.8087 13.8651 13.8670 k = 0.0000 0.5588 0.1468 ( 4334 PWs) bands (ev): -13.7345 -13.7344 -13.4870 -13.4870 -10.5604 -10.5603 -10.2794 -10.2790 -8.6454 -8.6442 -8.6381 -8.6379 -3.2863 -3.2852 -2.8020 -2.8011 -1.5557 -1.5552 -1.1791 -1.1765 -0.3959 -0.3943 0.0712 0.0720 0.6440 0.6445 0.8393 0.8409 1.5413 1.5421 1.7710 1.7712 2.2523 2.2525 2.6315 2.6316 3.1977 3.1983 3.2568 3.2586 3.6267 3.6282 4.2243 4.2258 4.7753 4.7756 5.0514 5.0516 12.2061 12.2097 12.2141 12.2169 12.5703 12.5712 12.8343 12.8344 13.8683 13.8706 k = 0.0000 0.5588 0.1631 ( 4328 PWs) bands (ev): -13.7309 -13.7308 -13.4890 -13.4889 -10.5446 -10.5445 -10.2667 -10.2662 -8.6751 -8.6740 -8.6662 -8.6662 -3.2763 -3.2751 -2.7954 -2.7945 -1.5450 -1.5445 -1.1405 -1.1377 -0.3609 -0.3591 0.0690 0.0699 0.6166 0.6171 0.8094 0.8112 1.5328 1.5336 1.7762 1.7764 2.2346 2.2349 2.6390 2.6391 3.2077 3.2084 3.2710 3.2729 3.6196 3.6212 4.2320 4.2336 4.7726 4.7729 5.0459 5.0460 12.1698 12.1723 12.1823 12.1844 12.5528 12.5536 12.8594 12.8597 13.8664 13.8689 k = 0.0000 0.5588 0.1794 ( 4334 PWs) bands (ev): -13.7269 -13.7268 -13.4912 -13.4911 -10.5272 -10.5271 -10.2526 -10.2521 -8.7078 -8.7070 -8.6963 -8.6960 -3.2654 -3.2640 -2.7888 -2.7879 -1.5334 -1.5328 -1.0997 -1.0965 -0.3225 -0.3206 0.0653 0.0664 0.5900 0.5907 0.7786 0.7806 1.5232 1.5241 1.7792 1.7793 2.2183 2.2187 2.6462 2.6463 3.2166 3.2173 3.2854 3.2874 3.6123 3.6140 4.2399 4.2416 4.7695 4.7699 5.0397 5.0398 12.1329 12.1344 12.1549 12.1564 12.5357 12.5362 12.8835 12.8841 13.8606 13.8633 k = 0.0000 0.5588 0.1957 ( 4328 PWs) bands (ev): -13.7227 -13.7226 -13.4936 -13.4935 -10.5082 -10.5081 -10.2372 -10.2367 -8.7432 -8.7425 -8.7281 -8.7276 -3.2534 -3.2520 -2.7823 -2.7815 -1.5208 -1.5200 -1.0570 -1.0536 -0.2812 -0.2791 0.0598 0.0612 0.5653 0.5662 0.7474 0.7496 1.5128 1.5138 1.7793 1.7793 2.2040 2.2045 2.6529 2.6530 3.2241 3.2250 3.2995 3.3015 3.6052 3.6071 4.2477 4.2495 4.7661 4.7664 5.0328 5.0331 12.0977 12.0986 12.1307 12.1321 12.5192 12.5195 12.9062 12.9071 13.8524 13.8551 k = 0.0000 0.5588 0.2120 ( 4336 PWs) bands (ev): -13.7181 -13.7180 -13.4962 -13.4961 -10.4876 -10.4874 -10.2205 -10.2199 -8.7809 -8.7803 -8.7617 -8.7610 -3.2406 -3.2390 -2.7762 -2.7754 -1.5071 -1.5063 -1.0132 -1.0095 -0.2371 -0.2348 0.0522 0.0538 0.5437 0.5447 0.7161 0.7186 1.5016 1.5026 1.7762 1.7762 2.1922 2.1928 2.6589 2.6591 3.2301 3.2311 3.3124 3.3144 3.5990 3.6009 4.2552 4.2571 4.7623 4.7627 5.0254 5.0256 12.0653 12.0658 12.1101 12.1116 12.5036 12.5038 12.9270 12.9283 13.8430 13.8457 k = 0.0000 0.5588 0.2284 ( 4334 PWs) bands (ev): -13.7132 -13.7131 -13.4991 -13.4990 -10.4654 -10.4652 -10.2025 -10.2019 -8.8207 -8.8201 -8.7968 -8.7961 -3.2268 -3.2252 -2.7705 -2.7697 -1.4925 -1.4916 -0.9689 -0.9651 -0.1905 -0.1882 0.0421 0.0439 0.5260 0.5273 0.6852 0.6879 1.4896 1.4906 1.7695 1.7696 2.1833 2.1839 2.6640 2.6642 3.2345 3.2355 3.3232 3.3251 3.5945 3.5965 4.2620 4.2641 4.7582 4.7586 5.0173 5.0176 12.0366 12.0368 12.0937 12.0952 12.4894 12.4895 12.9455 12.9472 13.8333 13.8361 k = 0.0000 0.5588 0.2447 ( 4332 PWs) bands (ev): -13.7081 -13.7080 -13.5021 -13.5020 -10.4416 -10.4415 -10.1832 -10.1826 -8.8622 -8.8617 -8.8335 -8.8327 -3.2122 -3.2106 -2.7654 -2.7647 -1.4768 -1.4758 -0.9250 -0.9210 -0.1420 -0.1395 0.0295 0.0315 0.5132 0.5147 0.6549 0.6579 1.4769 1.4779 1.7592 1.7595 2.1774 2.1781 2.6681 2.6684 3.2371 3.2381 3.3307 3.3325 3.5929 3.5949 4.2680 4.2701 4.7541 4.7545 5.0086 5.0090 12.0121 12.0121 12.0817 12.0834 12.4767 12.4767 12.9611 12.9632 13.8240 13.8267 k = 0.0000 0.5588 0.2610 ( 4330 PWs) bands (ev): -13.7028 -13.7027 -13.5054 -13.5053 -10.4164 -10.4162 -10.1628 -10.1621 -8.9054 -8.9049 -8.8715 -8.8706 -3.1968 -3.1951 -2.7611 -2.7606 -1.4600 -1.4589 -0.8824 -0.8782 -0.0920 -0.0894 0.0146 0.0168 0.5060 0.5076 0.6259 0.6292 1.4636 1.4646 1.7455 1.7458 2.1745 2.1753 2.6710 2.6714 3.2379 3.2389 3.3338 3.3353 3.5952 3.5971 4.2727 4.2749 4.7499 4.7503 4.9994 4.9998 11.9923 11.9925 12.0747 12.0764 12.4657 12.4658 12.9735 12.9759 13.8154 13.8181 k = 0.0000 0.5588 0.2773 ( 4326 PWs) bands (ev): -13.6972 -13.6970 -13.5089 -13.5088 -10.3896 -10.3894 -10.1410 -10.1403 -8.9499 -8.9495 -8.9107 -8.9097 -3.1807 -3.1789 -2.7578 -2.7573 -1.4421 -1.4409 -0.8421 -0.8378 -0.0414 -0.0386 -0.0020 0.0004 0.5045 0.5062 0.5986 0.6022 1.4498 1.4508 1.7285 1.7289 2.1745 2.1753 2.6727 2.6731 3.2370 3.2380 3.3319 3.3330 3.6021 3.6038 4.2758 4.2780 4.7460 4.7464 4.9896 4.9900 11.9778 11.9782 12.0728 12.0747 12.4567 12.4570 12.9819 12.9848 13.8077 13.8104 k = 0.0000 0.5588 0.2936 ( 4326 PWs) bands (ev): -13.6913 -13.6912 -13.5127 -13.5126 -10.3613 -10.3612 -10.1182 -10.1174 -8.9957 -8.9952 -8.9508 -8.9498 -3.1638 -3.1620 -2.7554 -2.7551 -1.4230 -1.4217 -0.8053 -0.8009 -0.0199 -0.0174 0.0096 0.0124 0.5090 0.5108 0.5738 0.5778 1.4354 1.4364 1.7087 1.7091 2.1770 2.1779 2.6728 2.6734 3.2344 3.2353 3.3247 3.3254 3.6138 3.6152 4.2770 4.2792 4.7426 4.7429 4.9793 4.9798 11.9690 11.9694 12.0763 12.0783 12.4500 12.4503 12.9862 12.9894 13.8009 13.8034 k = 0.0000 0.5588 0.3099 ( 4330 PWs) bands (ev): -13.6853 -13.6852 -13.5166 -13.5165 -10.3316 -10.3315 -10.0941 -10.0933 -9.0424 -9.0419 -8.9918 -8.9908 -3.1464 -3.1445 -2.7542 -2.7540 -1.4027 -1.4012 -0.7733 -0.7687 -0.0368 -0.0340 0.0583 0.0614 0.5192 0.5210 0.5527 0.5570 1.4205 1.4215 1.6863 1.6868 2.1818 2.1828 2.6714 2.6721 3.2301 3.2310 3.3128 3.3131 3.6299 3.6311 4.2760 4.2782 4.7398 4.7400 4.9685 4.9691 11.9661 11.9666 12.0853 12.0874 12.4456 12.4459 12.9860 12.9896 13.7828 13.7861 k = 0.0000 0.5588 0.3262 ( 4326 PWs) bands (ev): -13.6792 -13.6790 -13.5208 -13.5207 -10.3006 -10.3004 -10.0690 -10.0682 -9.0899 -9.0894 -9.0335 -9.0324 -3.1283 -3.1264 -2.7543 -2.7542 -1.3811 -1.3795 -0.7472 -0.7427 -0.0519 -0.0490 0.1039 0.1070 0.5340 0.5346 0.5386 0.5420 1.4052 1.4062 1.6617 1.6623 2.1887 2.1897 2.6683 2.6690 3.2244 3.2252 3.2970 3.2970 3.6496 3.6505 4.2725 4.2747 4.7378 4.7380 4.9574 4.9579 11.9693 11.9698 12.0999 12.1021 12.4436 12.4439 12.9812 12.9851 13.7297 13.7328 k = 0.0000 0.5588 0.3425 ( 4332 PWs) bands (ev): -13.6728 -13.6727 -13.5252 -13.5251 -10.2681 -10.2679 -10.0428 -10.0420 -9.1379 -9.1374 -9.0757 -9.0746 -3.1098 -3.1078 -2.7557 -2.7556 -1.3582 -1.3565 -0.7283 -0.7238 -0.0638 -0.0607 0.1436 0.1467 0.5277 0.5322 0.5559 0.5574 1.3896 1.3905 1.6353 1.6359 2.1975 2.1984 2.6632 2.6640 3.2173 3.2180 3.2781 3.2785 3.6722 3.6730 4.2664 4.2685 4.7369 4.7370 4.9459 4.9465 11.9787 11.9791 12.1199 12.1223 12.4440 12.4442 12.9717 12.9760 13.6694 13.6726 k = 0.0000 0.5588 0.3589 ( 4332 PWs) bands (ev): -13.6664 -13.6663 -13.5298 -13.5297 -10.2344 -10.2342 -10.0157 -10.0148 -9.1862 -9.1858 -9.1182 -9.1170 -3.0908 -3.0888 -2.7587 -2.7584 -1.3339 -1.3321 -0.7175 -0.7132 -0.0714 -0.0681 0.1745 0.1774 0.5290 0.5335 0.5810 0.5824 1.3735 1.3744 1.6072 1.6078 2.2079 2.2089 2.6560 2.6569 3.2091 3.2097 3.2575 3.2583 3.6970 3.6976 4.2575 4.2596 4.7371 4.7372 4.9341 4.9347 11.9943 11.9947 12.1454 12.1479 12.4469 12.4471 12.9577 12.9624 13.6035 13.6068 k = 0.0000 0.5588 0.3752 ( 4336 PWs) bands (ev): -13.6598 -13.6597 -13.5346 -13.5345 -10.1995 -10.1992 -9.9877 -9.9868 -9.2346 -9.2342 -9.1609 -9.1597 -3.0714 -3.0695 -2.7630 -2.7626 -1.3082 -1.3063 -0.7153 -0.7111 -0.0741 -0.0706 0.1945 0.1968 0.5421 0.5462 0.6100 0.6113 1.3572 1.3580 1.5778 1.5783 2.2199 2.2209 2.6465 2.6475 3.1999 3.2004 3.2361 3.2372 3.7234 3.7240 4.2459 4.2479 4.7386 4.7386 4.9221 4.9228 12.0160 12.0164 12.1758 12.1785 12.4522 12.4523 12.9394 12.9445 13.5334 13.5368 k = 0.0000 0.5588 0.3915 ( 4338 PWs) bands (ev): -13.6532 -13.6530 -13.5396 -13.5395 -10.1633 -10.1631 -9.9591 -9.9582 -9.2828 -9.2824 -9.2036 -9.2024 -3.0518 -3.0499 -2.7688 -2.7682 -1.2812 -1.2791 -0.7213 -0.7173 -0.0716 -0.0681 0.2030 0.2045 0.5668 0.5703 0.6424 0.6435 1.3406 1.3414 1.5470 1.5476 2.2336 2.2345 2.6345 2.6357 3.1901 3.1904 3.2149 3.2163 3.7511 3.7516 4.2317 4.2335 4.7411 4.7412 4.9101 4.9107 12.0438 12.0440 12.2110 12.2138 12.4597 12.4599 12.9171 12.9226 13.4610 13.4644 k = 0.0000 0.5588 0.4078 ( 4336 PWs) bands (ev): -13.6464 -13.6463 -13.5448 -13.5447 -10.1262 -10.1259 -9.9301 -9.9292 -9.3305 -9.3300 -9.2461 -9.2449 -3.0321 -3.0301 -2.7760 -2.7753 -1.2527 -1.2506 -0.7349 -0.7311 -0.0646 -0.0610 0.2018 0.2024 0.6006 0.6035 0.6772 0.6782 1.3239 1.3247 1.5152 1.5157 2.2488 2.2497 2.6200 2.6212 3.1798 3.1800 3.1946 3.1962 3.7798 3.7802 4.2149 4.2167 4.7449 4.7451 4.8979 4.8986 12.0774 12.0775 12.2501 12.2531 12.4694 12.4697 12.8911 12.8968 13.3881 13.3915 k = 0.0000 0.5588 0.4241 ( 4342 PWs) bands (ev): -13.6397 -13.6395 -13.5502 -13.5501 -10.0881 -10.0878 -9.9010 -9.9001 -9.3770 -9.3766 -9.2882 -9.2870 -3.0122 -3.0103 -2.7846 -2.7837 -1.2230 -1.2207 -0.7550 -0.7513 -0.0538 -0.0501 0.1935 0.1936 0.6401 0.6424 0.7135 0.7143 1.3074 1.3082 1.4824 1.4829 2.2657 2.2666 2.6029 2.6041 3.1693 3.1693 3.1760 3.1778 3.8090 3.8095 4.1958 4.1975 4.7498 4.7500 4.8858 4.8865 12.1163 12.1164 12.2924 12.2955 12.4809 12.4816 12.8614 12.8674 13.3170 13.3204 k = 0.0000 0.5588 0.4404 ( 4342 PWs) bands (ev): -13.6329 -13.6327 -13.5558 -13.5557 -10.0493 -10.0490 -9.8725 -9.8716 -9.4219 -9.4214 -9.3297 -9.3285 -2.9924 -2.9905 -2.7946 -2.7936 -1.1919 -1.1895 -0.7803 -0.7767 -0.0401 -0.0364 0.1801 0.1808 0.6821 0.6840 0.7502 0.7507 1.2915 1.2922 1.4490 1.4495 2.2843 2.2852 2.5831 2.5844 3.1581 3.1584 3.1603 3.1621 3.8387 3.8392 4.1747 4.1762 4.7556 4.7560 4.8738 4.8745 12.1601 12.1605 12.3365 12.3398 12.4942 12.4951 12.8280 12.8341 13.2502 13.2534 k = 0.0000 0.5588 0.4567 ( 4348 PWs) bands (ev): -13.6261 -13.6259 -13.5616 -13.5614 -10.0099 -10.0096 -9.8456 -9.8446 -9.4639 -9.4634 -9.3703 -9.3691 -2.9727 -2.9708 -2.8059 -2.8048 -1.1596 -1.1571 -0.8095 -0.8061 -0.0242 -0.0206 0.1640 0.1652 0.7242 0.7258 0.7856 0.7859 1.2769 1.2776 1.4152 1.4158 2.3045 2.3054 2.5610 2.5622 3.1450 3.1464 3.1495 3.1505 3.8687 3.8692 4.1517 4.1531 4.7624 4.7628 4.8619 4.8627 12.2084 12.2091 12.3808 12.3843 12.5086 12.5100 12.7909 12.7968 13.1909 13.1937 k = 0.0000 0.5588 0.4730 ( 4346 PWs) bands (ev): -13.6193 -13.6191 -13.5675 -13.5674 -9.9703 -9.9700 -9.8221 -9.8211 -9.5012 -9.5006 -9.4096 -9.4084 -2.9532 -2.9513 -2.8185 -2.8173 -1.1261 -1.1236 -0.8417 -0.8384 -0.0069 -0.0033 0.1462 0.1479 0.7644 0.7657 0.8180 0.8181 1.2646 1.2653 1.3817 1.3822 2.3265 2.3274 2.5367 2.5380 3.1340 3.1356 3.1404 3.1413 3.8988 3.8994 4.1272 4.1284 4.7700 4.7705 4.8503 4.8510 12.2604 12.2615 12.4225 12.4261 12.5238 12.5257 12.7498 12.7552 13.1428 13.1449 k = 0.0000 0.5588 0.4893 ( 4344 PWs) bands (ev): -13.6125 -13.6124 -13.5736 -13.5734 -9.9311 -9.9308 -9.8050 -9.8041 -9.5306 -9.5300 -9.4471 -9.4459 -2.9340 -2.9322 -2.8323 -2.8309 -1.0917 -1.0890 -0.8759 -0.8727 0.0114 0.0148 0.1275 0.1295 0.8008 0.8019 0.8448 0.8450 1.2562 1.2569 1.3492 1.3498 2.3501 2.3510 2.5109 2.5121 3.1259 3.1276 3.1324 3.1334 3.9289 3.9295 4.1013 4.1024 4.7783 4.7788 4.8388 4.8396 12.3150 12.3165 12.4582 12.4617 12.5392 12.5415 12.7052 12.7097 13.1099 13.1110 k = 0.0000 0.5588 0.5057 ( 4342 PWs) bands (ev): -13.6058 -13.6057 -13.5798 -13.5797 -9.8931 -9.8927 -9.7986 -9.7979 -9.5478 -9.5471 -9.4819 -9.4807 -2.9153 -2.9136 -2.8471 -2.8457 -1.0564 -1.0537 -0.9114 -0.9083 0.0303 0.0336 0.1082 0.1106 0.8317 0.8327 0.8636 0.8640 1.2537 1.2544 1.3190 1.3196 2.3751 2.3761 2.4838 2.4850 3.1207 3.1224 3.1259 3.1271 3.9589 3.9595 4.0743 4.0753 4.7872 4.7878 4.8277 4.8284 12.3706 12.3724 12.4828 12.4855 12.5541 12.5569 12.6594 12.6622 13.0957 13.0958 k = 0.0000 0.5588 0.5220 ( 4348 PWs) bands (ev): -13.5992 -13.5990 -13.5861 -13.5860 -9.8577 -9.8573 -9.8064 -9.8058 -9.5494 -9.5486 -9.5124 -9.5113 -2.8972 -2.8955 -2.8630 -2.8614 -1.0204 -1.0176 -0.9476 -0.9446 0.0496 0.0527 0.0887 0.0913 0.8551 0.8560 0.8721 0.8727 1.2586 1.2593 1.2925 1.2932 2.4014 2.4024 2.4562 2.4573 3.1184 3.1199 3.1212 3.1225 3.9885 3.9892 4.0464 4.0473 4.7966 4.7973 4.8169 4.8176 12.4238 12.4258 12.4890 12.4899 12.5689 12.5719 12.6183 12.6185 13.1016 13.1024 k = 0.0000 0.5588 0.5383 ( 4348 PWs) bands (ev): -13.5926 -13.5926 -13.5925 -13.5925 -9.8275 -9.8275 -9.8270 -9.8270 -9.5363 -9.5363 -9.5353 -9.5353 -2.8797 -2.8797 -2.8780 -2.8780 -0.9841 -0.9841 -0.9812 -0.9812 0.0691 0.0691 0.0720 0.0720 0.8691 0.8691 0.8698 0.8698 1.2718 1.2718 1.2725 1.2725 2.4286 2.4286 2.4296 2.4296 3.1186 3.1186 3.1201 3.1201 4.0177 4.0177 4.0186 4.0186 4.8066 4.8066 4.8072 4.8072 12.4676 12.4676 12.4689 12.4689 12.5875 12.5875 12.5898 12.5898 13.1281 13.1281 k = 0.0000 0.5588 0.5383 ( 4348 PWs) bands (ev): -13.5926 -13.5926 -13.5925 -13.5925 -9.8275 -9.8275 -9.8270 -9.8270 -9.5363 -9.5363 -9.5353 -9.5353 -2.8797 -2.8797 -2.8780 -2.8780 -0.9841 -0.9841 -0.9812 -0.9812 0.0691 0.0691 0.0720 0.0720 0.8691 0.8691 0.8698 0.8698 1.2718 1.2718 1.2725 1.2725 2.4286 2.4286 2.4296 2.4296 3.1186 3.1186 3.1201 3.1201 4.0177 4.0177 4.0186 4.0186 4.8066 4.8066 4.8072 4.8072 12.4676 12.4676 12.4689 12.4689 12.5875 12.5875 12.5898 12.5898 13.1281 13.1281 k = 0.0165 0.5588 0.5383 ( 4346 PWs) bands (ev): -13.5925 -13.5925 -13.5923 -13.5923 -9.8300 -9.8300 -9.8294 -9.8294 -9.5341 -9.5341 -9.5330 -9.5330 -2.8780 -2.8780 -2.8763 -2.8763 -0.9881 -0.9881 -0.9852 -0.9852 0.0717 0.0717 0.0747 0.0747 0.8674 0.8674 0.8688 0.8688 1.2733 1.2733 1.2750 1.2750 2.4273 2.4273 2.4286 2.4286 3.1195 3.1195 3.1211 3.1211 4.0184 4.0184 4.0193 4.0193 4.8048 4.8048 4.8055 4.8055 12.4667 12.4667 12.4683 12.4683 12.5882 12.5882 12.5908 12.5908 13.1276 13.1276 k = 0.0329 0.5588 0.5383 ( 4346 PWs) bands (ev): -13.5921 -13.5921 -13.5920 -13.5920 -9.8371 -9.8371 -9.8363 -9.8363 -9.5278 -9.5278 -9.5266 -9.5266 -2.8729 -2.8729 -2.8712 -2.8712 -1.0001 -1.0001 -0.9973 -0.9973 0.0795 0.0795 0.0825 0.0825 0.8629 0.8629 0.8654 0.8654 1.2784 1.2784 1.2816 1.2816 2.4237 2.4237 2.4254 2.4254 3.1223 3.1223 3.1241 3.1241 4.0205 4.0205 4.0214 4.0214 4.7995 4.7995 4.8003 4.8003 12.4641 12.4641 12.4664 12.4664 12.5903 12.5903 12.5936 12.5936 13.1262 13.1262 k = 0.0494 0.5588 0.5383 ( 4350 PWs) bands (ev): -13.5915 -13.5915 -13.5913 -13.5913 -9.8483 -9.8483 -9.8473 -9.8473 -9.5178 -9.5178 -9.5166 -9.5166 -2.8644 -2.8644 -2.8627 -2.8627 -1.0197 -1.0197 -1.0169 -1.0169 0.0921 0.0921 0.0951 0.0951 0.8561 0.8561 0.8596 0.8596 1.2871 1.2871 1.2918 1.2918 2.4178 2.4178 2.4202 2.4202 3.1268 3.1268 3.1290 3.1290 4.0240 4.0240 4.0249 4.0249 4.7907 4.7907 4.7917 4.7917 12.4602 12.4602 12.4633 12.4633 12.5939 12.5939 12.5979 12.5979 13.1239 13.1239 k = 0.0658 0.5588 0.5383 ( 4348 PWs) bands (ev): -13.5906 -13.5906 -13.5905 -13.5905 -9.8628 -9.8628 -9.8616 -9.8616 -9.5050 -9.5050 -9.5036 -9.5036 -2.8526 -2.8526 -2.8509 -2.8509 -1.0462 -1.0462 -1.0435 -1.0435 0.1088 0.1088 0.1120 0.1120 0.8474 0.8474 0.8518 0.8518 1.2992 1.2992 1.3051 1.3051 2.4100 2.4100 2.4129 2.4129 3.1329 3.1329 3.1354 3.1354 4.0288 4.0288 4.0299 4.0299 4.7786 4.7786 4.7798 4.7798 12.4553 12.4553 12.4589 12.4589 12.5987 12.5987 12.6034 12.6034 13.1207 13.1207 k = 0.0823 0.5588 0.5383 ( 4336 PWs) bands (ev): -13.5895 -13.5895 -13.5894 -13.5894 -9.8798 -9.8798 -9.8785 -9.8785 -9.4900 -9.4900 -9.4885 -9.4885 -2.8375 -2.8375 -2.8358 -2.8358 -1.0790 -1.0790 -1.0764 -1.0764 0.1291 0.1291 0.1323 0.1323 0.8372 0.8372 0.8423 0.8423 1.3141 1.3141 1.3210 1.3210 2.4005 2.4005 2.4039 2.4039 3.1403 3.1403 3.1431 3.1431 4.0351 4.0351 4.0363 4.0363 4.7634 4.7634 4.7648 4.7648 12.4494 12.4494 12.4535 12.4535 12.6045 12.6045 12.6099 12.6099 13.1168 13.1168 k = 0.0988 0.5588 0.5383 ( 4332 PWs) bands (ev): -13.5882 -13.5882 -13.5880 -13.5880 -9.8987 -9.8987 -9.8973 -9.8973 -9.4734 -9.4734 -9.4719 -9.4719 -2.8192 -2.8192 -2.8175 -2.8175 -1.1174 -1.1174 -1.1149 -1.1149 0.1521 0.1521 0.1555 0.1555 0.8260 0.8260 0.8316 0.8316 1.3314 1.3314 1.3393 1.3393 2.3894 2.3894 2.3933 2.3933 3.1487 3.1487 3.1518 3.1518 4.0429 4.0429 4.0441 4.0441 4.7453 4.7453 4.7468 4.7468 12.4428 12.4428 12.4471 12.4471 12.6111 12.6111 12.6172 12.6172 13.1121 13.1121 k = 0.1152 0.5588 0.5383 ( 4330 PWs) bands (ev): -13.5867 -13.5867 -13.5865 -13.5865 -9.9189 -9.9189 -9.9175 -9.9175 -9.4557 -9.4557 -9.4541 -9.4541 -2.7979 -2.7979 -2.7960 -2.7960 -1.1605 -1.1605 -1.1581 -1.1581 0.1773 0.1773 0.1807 0.1807 0.8140 0.8140 0.8201 0.8201 1.3507 1.3507 1.3593 1.3593 2.3771 2.3771 2.3814 2.3814 3.1579 3.1579 3.1612 3.1612 4.0520 4.0520 4.0534 4.0534 4.7244 4.7244 4.7261 4.7261 12.4354 12.4354 12.4399 12.4399 12.6184 12.6184 12.6251 12.6251 13.1069 13.1069 k = 0.1317 0.5588 0.5383 ( 4336 PWs) bands (ev): -13.5850 -13.5850 -13.5848 -13.5848 -9.9401 -9.9401 -9.9387 -9.9387 -9.4373 -9.4373 -9.4356 -9.4356 -2.7735 -2.7735 -2.7716 -2.7716 -1.2079 -1.2079 -1.2056 -1.2056 0.2039 0.2039 0.2075 0.2075 0.8017 0.8017 0.8081 0.8081 1.3715 1.3715 1.3807 1.3807 2.3638 2.3638 2.3685 2.3685 3.1674 3.1674 3.1709 3.1709 4.0626 4.0626 4.0641 4.0641 4.7011 4.7011 4.7031 4.7031 12.4272 12.4272 12.4318 12.4318 12.6261 12.6261 12.6334 12.6334 13.1012 13.1012 k = 0.1481 0.5588 0.5383 ( 4332 PWs) bands (ev): -13.5831 -13.5831 -13.5830 -13.5830 -9.9620 -9.9620 -9.9605 -9.9605 -9.4184 -9.4184 -9.4167 -9.4167 -2.7463 -2.7463 -2.7444 -2.7444 -1.2588 -1.2588 -1.2566 -1.2566 0.2315 0.2315 0.2352 0.2352 0.7894 0.7894 0.7959 0.7959 1.3935 1.3935 1.4032 1.4032 2.3499 2.3499 2.3549 2.3549 3.1771 3.1771 3.1806 3.1806 4.0745 4.0745 4.0761 4.0761 4.6758 4.6758 4.6779 4.6779 12.4182 12.4182 12.4229 12.4229 12.6341 12.6341 12.6421 12.6421 13.0953 13.0953 k = 0.1646 0.5588 0.5383 ( 4338 PWs) bands (ev): -13.5811 -13.5811 -13.5810 -13.5810 -9.9842 -9.9842 -9.9827 -9.9827 -9.3992 -9.3992 -9.3975 -9.3975 -2.7163 -2.7163 -2.7144 -2.7144 -1.3127 -1.3127 -1.3106 -1.3106 0.2595 0.2595 0.2633 0.2633 0.7772 0.7772 0.7838 0.7838 1.4163 1.4163 1.4265 1.4265 2.3355 2.3355 2.3407 2.3407 3.1865 3.1865 3.1901 3.1901 4.0878 4.0878 4.0895 4.0895 4.6488 4.6488 4.6511 4.6511 12.4084 12.4084 12.4131 12.4131 12.6424 12.6424 12.6511 12.6511 13.0893 13.0893 k = 0.1811 0.5588 0.5383 ( 4344 PWs) bands (ev): -13.5790 -13.5790 -13.5789 -13.5789 -10.0065 -10.0065 -10.0050 -10.0050 -9.3799 -9.3799 -9.3782 -9.3782 -2.6839 -2.6839 -2.6819 -2.6819 -1.3692 -1.3692 -1.3671 -1.3671 0.2875 0.2875 0.2915 0.2915 0.7653 0.7653 0.7720 0.7720 1.4397 1.4397 1.4502 1.4502 2.3209 2.3209 2.3263 2.3263 3.1954 3.1954 3.1990 3.1990 4.1022 4.1022 4.1040 4.1040 4.6206 4.6206 4.6231 4.6231 12.3975 12.3975 12.4022 12.4022 12.6507 12.6507 12.6601 12.6601 13.0835 13.0835 k = 0.1975 0.5588 0.5383 ( 4334 PWs) bands (ev): -13.5769 -13.5769 -13.5767 -13.5767 -10.0287 -10.0287 -10.0273 -10.0273 -9.3605 -9.3605 -9.3588 -9.3588 -2.6490 -2.6490 -2.6470 -2.6470 -1.4278 -1.4278 -1.4258 -1.4258 0.3153 0.3153 0.3194 0.3194 0.7539 0.7539 0.7606 0.7606 1.4632 1.4632 1.4740 1.4740 2.3064 2.3064 2.3120 2.3120 3.2037 3.2037 3.2072 3.2072 4.1176 4.1176 4.1194 4.1194 4.5918 4.5918 4.5943 4.5943 12.3855 12.3855 12.3902 12.3902 12.6590 12.6590 12.6689 12.6689 13.0783 13.0783 k = 0.2140 0.5588 0.5383 ( 4338 PWs) bands (ev): -13.5746 -13.5746 -13.5745 -13.5745 -10.0508 -10.0508 -10.0493 -10.0493 -9.3413 -9.3413 -9.3396 -9.3396 -2.6121 -2.6121 -2.6101 -2.6101 -1.4882 -1.4882 -1.4862 -1.4862 0.3425 0.3425 0.3467 0.3467 0.7432 0.7432 0.7499 0.7499 1.4867 1.4867 1.4977 1.4977 2.2923 2.2923 2.2980 2.2980 3.2110 3.2110 3.2145 3.2145 4.1336 4.1336 4.1356 4.1356 4.5628 4.5628 4.5654 4.5654 12.3723 12.3723 12.3770 12.3770 12.6669 12.6669 12.6774 12.6774 13.0740 13.0740 k = 0.2304 0.5588 0.5383 ( 4336 PWs) bands (ev): -13.5724 -13.5724 -13.5723 -13.5723 -10.0725 -10.0725 -10.0710 -10.0710 -9.3222 -9.3222 -9.3205 -9.3205 -2.5733 -2.5733 -2.5712 -2.5712 -1.5499 -1.5499 -1.5479 -1.5479 0.3688 0.3688 0.3732 0.3732 0.7334 0.7334 0.7399 0.7399 1.5096 1.5096 1.5208 1.5208 2.2788 2.2788 2.2845 2.2845 3.2174 3.2174 3.2206 3.2206 4.1498 4.1498 4.1519 4.1519 4.5346 4.5346 4.5373 4.5373 12.3578 12.3578 12.3624 12.3624 12.6743 12.6743 12.6853 12.6853 13.0709 13.0709 k = 0.2469 0.5588 0.5383 ( 4342 PWs) bands (ev): -13.5702 -13.5702 -13.5700 -13.5700 -10.0936 -10.0936 -10.0922 -10.0922 -9.3032 -9.3032 -9.3015 -9.3015 -2.5329 -2.5329 -2.5309 -2.5309 -1.6126 -1.6126 -1.6107 -1.6107 0.3941 0.3941 0.3986 0.3986 0.7244 0.7244 0.7309 0.7309 1.5317 1.5317 1.5430 1.5430 2.2662 2.2662 2.2720 2.2720 3.2225 3.2225 3.2257 3.2257 4.1654 4.1654 4.1676 4.1676 4.5082 4.5082 4.5108 4.5108 12.3419 12.3419 12.3465 12.3465 12.6808 12.6808 12.6922 12.6922 13.0696 13.0696 k = 0.2634 0.5588 0.5383 ( 4342 PWs) bands (ev): -13.5680 -13.5680 -13.5679 -13.5679 -10.1142 -10.1142 -10.1128 -10.1128 -9.2845 -9.2845 -9.2828 -9.2828 -2.4915 -2.4915 -2.4895 -2.4895 -1.6757 -1.6757 -1.6739 -1.6739 0.4181 0.4181 0.4227 0.4227 0.7166 0.7166 0.7229 0.7229 1.5524 1.5524 1.5638 1.5638 2.2550 2.2550 2.2608 2.2608 3.2265 3.2265 3.2295 3.2295 4.1794 4.1794 4.1817 4.1817 4.4848 4.4848 4.4873 4.4873 12.3246 12.3246 12.3292 12.3292 12.6861 12.6861 12.6978 12.6978 13.0705 13.0705 k = 0.2798 0.5588 0.5383 ( 4340 PWs) bands (ev): -13.5659 -13.5659 -13.5658 -13.5658 -10.1340 -10.1340 -10.1326 -10.1326 -9.2660 -9.2660 -9.2643 -9.2643 -2.4495 -2.4495 -2.4476 -2.4476 -1.7387 -1.7387 -1.7370 -1.7370 0.4406 0.4406 0.4452 0.4452 0.7102 0.7102 0.7163 0.7163 1.5714 1.5714 1.5828 1.5828 2.2456 2.2456 2.2514 2.2514 3.2292 3.2292 3.2320 3.2320 4.1902 4.1902 4.1926 4.1926 4.4662 4.4662 4.4685 4.4685 12.3058 12.3058 12.3103 12.3103 12.6899 12.6899 12.7018 12.7018 13.0738 13.0738 k = 0.2963 0.5588 0.5383 ( 4340 PWs) bands (ev): -13.5639 -13.5639 -13.5638 -13.5638 -10.1530 -10.1530 -10.1517 -10.1517 -9.2477 -9.2477 -9.2461 -9.2461 -2.4078 -2.4078 -2.4061 -2.4061 -1.8008 -1.8008 -1.7992 -1.7992 0.4613 0.4613 0.4660 0.4660 0.7052 0.7052 0.7112 0.7112 1.5879 1.5879 1.5994 1.5994 2.2385 2.2385 2.2441 2.2441 3.2308 3.2308 3.2334 3.2334 4.1960 4.1960 4.1984 4.1984 4.4545 4.4545 4.4564 4.4564 12.2855 12.2855 12.2900 12.2900 12.6920 12.6920 12.7039 12.7039 13.0798 13.0798 k = 0.3127 0.5588 0.5383 ( 4338 PWs) bands (ev): -13.5621 -13.5621 -13.5620 -13.5620 -10.1711 -10.1711 -10.1698 -10.1698 -9.2297 -9.2297 -9.2281 -9.2281 -2.3679 -2.3679 -2.3665 -2.3665 -1.8605 -1.8605 -1.8591 -1.8591 0.4798 0.4798 0.4846 0.4846 0.7022 0.7022 0.7079 0.7079 1.6016 1.6016 1.6131 1.6131 2.2341 2.2341 2.2396 2.2396 3.2311 3.2311 3.2336 3.2336 4.1953 4.1953 4.1977 4.1977 4.4512 4.4512 4.4527 4.4527 12.2638 12.2638 12.2682 12.2682 12.6922 12.6922 12.7040 12.7040 13.0886 13.0886 k = 0.3292 0.5588 0.5383 ( 4336 PWs) bands (ev): -13.5604 -13.5604 -13.5603 -13.5603 -10.1882 -10.1882 -10.1869 -10.1869 -9.2120 -9.2120 -9.2104 -9.2104 -2.3323 -2.3323 -2.3314 -2.3314 -1.9151 -1.9151 -1.9142 -1.9142 0.4958 0.4958 0.5006 0.5006 0.7015 0.7015 0.7070 0.7070 1.6117 1.6117 1.6232 1.6232 2.2330 2.2330 2.2384 2.2384 3.2304 3.2304 3.2328 3.2328 4.1876 4.1876 4.1901 4.1901 4.4569 4.4569 4.4579 4.4579 12.2406 12.2406 12.2450 12.2450 12.6905 12.6905 12.7021 12.7021 13.1002 13.1002 k = 0.3457 0.5588 0.5383 ( 4330 PWs) bands (ev): -13.5590 -13.5590 -13.5589 -13.5589 -10.2042 -10.2042 -10.2029 -10.2029 -9.1946 -9.1946 -9.1930 -9.1930 -2.3060 -2.3060 -2.3056 -2.3056 -1.9600 -1.9600 -1.9597 -1.9597 0.5089 0.5089 0.5137 0.5137 0.7035 0.7035 0.7088 0.7088 1.6178 1.6178 1.6293 1.6293 2.2356 2.2356 2.2409 2.2409 3.2287 3.2287 3.2310 3.2310 4.1741 4.1741 4.1766 4.1766 4.4703 4.4703 4.4712 4.4712 12.2161 12.2161 12.2205 12.2205 12.6869 12.6869 12.6983 12.6983 13.1140 13.1140 k = 0.3457 0.5588 0.5383 ( 4330 PWs) bands (ev): -13.5590 -13.5590 -13.5589 -13.5589 -10.2042 -10.2042 -10.2029 -10.2029 -9.1946 -9.1946 -9.1930 -9.1930 -2.3060 -2.3060 -2.3056 -2.3056 -1.9600 -1.9600 -1.9597 -1.9597 0.5089 0.5089 0.5137 0.5137 0.7035 0.7035 0.7088 0.7088 1.6178 1.6178 1.6293 1.6293 2.2356 2.2356 2.2409 2.2409 3.2287 3.2287 3.2310 3.2310 4.1741 4.1741 4.1766 4.1766 4.4703 4.4703 4.4712 4.4712 12.2161 12.2161 12.2205 12.2205 12.6869 12.6869 12.6983 12.6983 13.1140 13.1141 k = 0.3370 0.5448 0.5383 ( 4338 PWs) bands (ev): -13.5615 -13.5615 -13.5614 -13.5614 -10.1742 -10.1742 -10.1729 -10.1729 -9.2277 -9.2277 -9.2260 -9.2260 -2.3432 -2.3432 -2.3428 -2.3428 -1.8870 -1.8870 -1.8868 -1.8868 0.4861 0.4861 0.4909 0.4909 0.6968 0.6968 0.7025 0.7025 1.6110 1.6110 1.6225 1.6225 2.2272 2.2272 2.2327 2.2327 3.2326 3.2326 3.2350 3.2350 4.2049 4.2049 4.2074 4.2074 4.4389 4.4389 4.4397 4.4397 12.2629 12.2629 12.2673 12.2673 12.6944 12.6944 12.7062 12.7062 13.0873 13.0873 k = 0.3284 0.5309 0.5383 ( 4342 PWs) bands (ev): -13.5642 -13.5642 -13.5641 -13.5641 -10.1428 -10.1428 -10.1414 -10.1414 -9.2611 -9.2611 -9.2595 -9.2595 -2.3823 -2.3823 -2.3819 -2.3819 -1.8123 -1.8123 -1.8122 -1.8122 0.4611 0.4611 0.4657 0.4657 0.6902 0.6902 0.6961 0.6961 1.6054 1.6054 1.6170 1.6170 2.2196 2.2196 2.2254 2.2254 3.2360 3.2360 3.2386 3.2386 4.2371 4.2371 4.2396 4.2396 4.4083 4.4083 4.4091 4.4091 12.3065 12.3065 12.3109 12.3109 12.6994 12.6994 12.7117 12.7117 13.0645 13.0645 k = 0.3197 0.5169 0.5383 ( 4350 PWs) bands (ev): -13.5670 -13.5670 -13.5669 -13.5669 -10.1101 -10.1101 -10.1086 -10.1086 -9.2949 -9.2949 -9.2933 -9.2933 -2.4232 -2.4232 -2.4229 -2.4229 -1.7363 -1.7363 -1.7362 -1.7362 0.4338 0.4338 0.4383 0.4383 0.6836 0.6836 0.6899 0.6899 1.6014 1.6014 1.6129 1.6129 2.2130 2.2130 2.2190 2.2190 3.2389 3.2389 3.2418 3.2418 4.2705 4.2705 4.2729 4.2729 4.3786 4.3786 4.3795 4.3795 12.3453 12.3453 12.3495 12.3495 12.7014 12.7014 12.7140 12.7140 13.0473 13.0473 k = 0.3111 0.5029 0.5383 ( 4342 PWs) bands (ev): -13.5699 -13.5699 -13.5698 -13.5698 -10.0761 -10.0761 -10.0746 -10.0746 -9.3289 -9.3289 -9.3272 -9.3272 -2.4661 -2.4661 -2.4658 -2.4658 -1.6593 -1.6593 -1.6592 -1.6592 0.4044 0.4044 0.4087 0.4087 0.6771 0.6771 0.6837 0.6837 1.5989 1.5989 1.6102 1.6102 2.2075 2.2075 2.2136 2.2136 3.2415 3.2415 3.2447 3.2447 4.3050 4.3050 4.3072 4.3072 4.3502 4.3502 4.3509 4.3509 12.3770 12.3770 12.3810 12.3810 12.6997 12.6997 12.7126 12.7126 13.0379 13.0379 k = 0.3025 0.4889 0.5383 ( 4346 PWs) bands (ev): -13.5729 -13.5729 -13.5728 -13.5728 -10.0408 -10.0408 -10.0392 -10.0392 -9.3629 -9.3629 -9.3612 -9.3612 -2.5107 -2.5107 -2.5105 -2.5105 -1.5817 -1.5817 -1.5814 -1.5814 0.3728 0.3728 0.3768 0.3768 0.6707 0.6707 0.6777 0.6777 1.5980 1.5980 1.6092 1.6092 2.2031 2.2031 2.2095 2.2095 3.2437 3.2437 3.2471 3.2471 4.3224 4.3224 4.3234 4.3234 4.3406 4.3406 4.3430 4.3430 12.3996 12.3996 12.4033 12.4033 12.6936 12.6936 12.7067 12.7067 13.0381 13.0381 k = 0.2938 0.4750 0.5383 ( 4342 PWs) bands (ev): -13.5760 -13.5760 -13.5759 -13.5759 -10.0043 -10.0043 -10.0027 -10.0027 -9.3969 -9.3969 -9.3952 -9.3952 -2.5571 -2.5571 -2.5569 -2.5569 -1.5037 -1.5037 -1.5032 -1.5032 0.3392 0.3392 0.3430 0.3430 0.6646 0.6646 0.6718 0.6718 1.5988 1.5988 1.6098 1.6098 2.2001 2.2001 2.2067 2.2067 3.2455 3.2455 3.2491 3.2491 4.2966 4.2966 4.2974 4.2974 4.3769 4.3769 4.3791 4.3791 12.4119 12.4119 12.4151 12.4151 12.6827 12.6827 12.6959 12.6959 13.0491 13.0491 k = 0.2852 0.4610 0.5383 ( 4338 PWs) bands (ev): -13.5792 -13.5792 -13.5791 -13.5791 -9.9666 -9.9666 -9.9650 -9.9650 -9.4307 -9.4307 -9.4290 -9.4290 -2.6053 -2.6053 -2.6051 -2.6051 -1.4256 -1.4256 -1.4249 -1.4249 0.3039 0.3039 0.3074 0.3074 0.6586 0.6586 0.6662 0.6662 1.6012 1.6012 1.6119 1.6119 2.1985 2.1985 2.2053 2.2053 3.2469 3.2469 3.2509 3.2509 4.2720 4.2720 4.2728 4.2728 4.4140 4.4140 4.4161 4.4161 12.4136 12.4136 12.4164 12.4164 12.6666 12.6666 12.6799 12.6799 13.0709 13.0709 k = 0.2765 0.4470 0.5383 ( 4330 PWs) bands (ev): -13.5824 -13.5824 -13.5823 -13.5823 -9.9279 -9.9279 -9.9262 -9.9262 -9.4643 -9.4643 -9.4626 -9.4626 -2.6550 -2.6550 -2.6549 -2.6549 -1.3478 -1.3478 -1.3468 -1.3468 0.2669 0.2669 0.2701 0.2701 0.6528 0.6528 0.6608 0.6608 1.6052 1.6052 1.6156 1.6156 2.1984 2.1984 2.2054 2.2054 3.2481 3.2481 3.2524 3.2524 4.2488 4.2488 4.2495 4.2495 4.4518 4.4518 4.4537 4.4537 12.4058 12.4058 12.4081 12.4081 12.6453 12.6453 12.6585 12.6585 13.1022 13.1022 k = 0.2679 0.4331 0.5383 ( 4316 PWs) bands (ev): -13.5857 -13.5857 -13.5856 -13.5856 -9.8882 -9.8882 -9.8865 -9.8865 -9.4975 -9.4975 -9.4958 -9.4958 -2.7063 -2.7063 -2.7062 -2.7062 -1.2704 -1.2704 -1.2692 -1.2692 0.2285 0.2285 0.2314 0.2314 0.6474 0.6474 0.6556 0.6556 1.6108 1.6108 1.6209 1.6209 2.1999 2.1999 2.2072 2.2072 3.2491 3.2491 3.2537 3.2537 4.2271 4.2271 4.2277 4.2277 4.4901 4.4901 4.4919 4.4919 12.3903 12.3903 12.3921 12.3921 12.6186 12.6186 12.6317 12.6317 13.1409 13.1409 k = 0.2592 0.4191 0.5383 ( 4322 PWs) bands (ev): -13.5891 -13.5891 -13.5890 -13.5890 -9.8475 -9.8475 -9.8458 -9.8458 -9.5302 -9.5302 -9.5286 -9.5286 -2.7590 -2.7590 -2.7590 -2.7590 -1.1940 -1.1940 -1.1925 -1.1925 0.1890 0.1890 0.1916 0.1916 0.6422 0.6422 0.6508 0.6508 1.6178 1.6178 1.6275 1.6275 2.2030 2.2030 2.2105 2.2105 3.2500 3.2500 3.2548 3.2548 4.2068 4.2068 4.2074 4.2074 4.5288 4.5288 4.5304 4.5304 12.3690 12.3690 12.3705 12.3705 12.5869 12.5869 12.5998 12.5998 13.1844 13.1844 k = 0.2506 0.4051 0.5383 ( 4326 PWs) bands (ev): -13.5925 -13.5925 -13.5924 -13.5924 -9.8060 -9.8060 -9.8042 -9.8042 -9.5624 -9.5624 -9.5608 -9.5608 -2.8132 -2.8132 -2.8131 -2.8131 -1.1187 -1.1187 -1.1170 -1.1170 0.1485 0.1485 0.1509 0.1509 0.6375 0.6375 0.6464 0.6464 1.6262 1.6262 1.6356 1.6356 2.2079 2.2079 2.2156 2.2156 3.2508 3.2508 3.2559 3.2559 4.1880 4.1880 4.1885 4.1885 4.5677 4.5677 4.5692 4.5692 12.3437 12.3437 12.3450 12.3450 12.5504 12.5504 12.5630 12.5630 13.2304 13.2304 k = 0.2420 0.3912 0.5383 ( 4328 PWs) bands (ev): -13.5960 -13.5960 -13.5959 -13.5959 -9.7637 -9.7637 -9.7619 -9.7619 -9.5941 -9.5941 -9.5925 -9.5925 -2.8686 -2.8686 -2.8685 -2.8685 -1.0449 -1.0449 -1.0429 -1.0429 0.1074 0.1074 0.1095 0.1095 0.6331 0.6331 0.6423 0.6423 1.6358 1.6358 1.6448 1.6448 2.2144 2.2144 2.2223 2.2223 3.2516 3.2516 3.2571 3.2571 4.1706 4.1706 4.1710 4.1710 4.6068 4.6068 4.6081 4.6081 12.3160 12.3160 12.3171 12.3171 12.5097 12.5097 12.5219 12.5219 13.2764 13.2764 k = 0.2333 0.3772 0.5383 ( 4332 PWs) bands (ev): -13.5995 -13.5995 -13.5994 -13.5994 -9.7207 -9.7207 -9.7189 -9.7189 -9.6250 -9.6250 -9.6235 -9.6235 -2.9252 -2.9252 -2.9250 -2.9250 -0.9729 -0.9729 -0.9705 -0.9705 0.0659 0.0659 0.0677 0.0677 0.6292 0.6292 0.6387 0.6387 1.6466 1.6466 1.6552 1.6552 2.2225 2.2225 2.2306 2.2306 3.2526 3.2526 3.2584 3.2584 4.1546 4.1546 4.1550 4.1550 4.6458 4.6458 4.6471 4.6471 12.2871 12.2871 12.2880 12.2880 12.4652 12.4652 12.4771 12.4771 13.3202 13.3202 k = 0.2247 0.3632 0.5383 ( 4340 PWs) bands (ev): -13.6030 -13.6030 -13.6029 -13.6029 -9.6773 -9.6773 -9.6753 -9.6753 -9.6552 -9.6552 -9.6537 -9.6537 -2.9827 -2.9827 -2.9825 -2.9825 -0.9029 -0.9029 -0.9002 -0.9002 0.0242 0.0242 0.0258 0.0258 0.6258 0.6258 0.6356 0.6356 1.6583 1.6583 1.6665 1.6665 2.2322 2.2322 2.2406 2.2406 3.2540 3.2540 3.2600 3.2600 4.1399 4.1399 4.1403 4.1403 4.6848 4.6848 4.6858 4.6858 12.2578 12.2578 12.2586 12.2586 12.4176 12.4176 12.4290 12.4290 13.3599 13.3599 k = 0.2160 0.3492 0.5383 ( 4340 PWs) bands (ev): -13.6065 -13.6065 -13.6064 -13.6064 -9.6848 -9.6848 -9.6832 -9.6832 -9.6330 -9.6330 -9.6312 -9.6312 -3.0411 -3.0411 -3.0408 -3.0408 -0.8353 -0.8353 -0.8323 -0.8323 -0.0173 -0.0173 -0.0159 -0.0159 0.6229 0.6229 0.6330 0.6330 1.6710 1.6710 1.6788 1.6788 2.2434 2.2434 2.2520 2.2520 3.2557 3.2557 3.2621 3.2621 4.1266 4.1266 4.1269 4.1269 4.7234 4.7234 4.7243 4.7243 12.2288 12.2288 12.2295 12.2295 12.3673 12.3673 12.3782 12.3782 13.3932 13.3932 k = 0.2074 0.3353 0.5383 ( 4336 PWs) bands (ev): -13.6100 -13.6100 -13.6099 -13.6099 -9.7133 -9.7133 -9.7119 -9.7119 -9.5886 -9.5886 -9.5868 -9.5868 -3.1001 -3.1001 -3.0998 -3.0998 -0.7702 -0.7702 -0.7668 -0.7668 -0.0586 -0.0586 -0.0574 -0.0574 0.6207 0.6207 0.6311 0.6311 1.6843 1.6843 1.6917 1.6917 2.2560 2.2560 2.2647 2.2647 3.2580 3.2580 3.2647 3.2647 4.1146 4.1146 4.1148 4.1148 4.7617 4.7617 4.7625 4.7625 12.2006 12.2006 12.2013 12.2013 12.3150 12.3150 12.3254 12.3254 13.4182 13.4182 k = 0.1988 0.3213 0.5383 ( 4332 PWs) bands (ev): -13.6135 -13.6135 -13.6134 -13.6134 -9.7410 -9.7410 -9.7396 -9.7396 -9.5440 -9.5440 -9.5421 -9.5421 -3.1596 -3.1596 -3.1592 -3.1592 -0.7079 -0.7079 -0.7042 -0.7042 -0.0993 -0.0993 -0.0983 -0.0983 0.6192 0.6192 0.6298 0.6298 1.6983 1.6983 1.7054 1.7054 2.2697 2.2697 2.2786 2.2786 3.2610 3.2610 3.2680 3.2680 4.1037 4.1037 4.1039 4.1039 4.7994 4.7994 4.8001 4.8001 12.1738 12.1738 12.1744 12.1744 12.2612 12.2612 12.2712 12.2712 13.4332 13.4332 k = 0.1901 0.3073 0.5383 ( 4328 PWs) bands (ev): -13.6170 -13.6170 -13.6169 -13.6169 -9.7678 -9.7678 -9.7664 -9.7664 -9.4992 -9.4992 -9.4973 -9.4973 -3.2194 -3.2194 -3.2190 -3.2190 -0.6486 -0.6486 -0.6446 -0.6446 -0.1393 -0.1393 -0.1385 -0.1385 0.6184 0.6184 0.6292 0.6292 1.7128 1.7128 1.7195 1.7195 2.2844 2.2844 2.2934 2.2934 3.2649 3.2649 3.2722 3.2722 4.0940 4.0940 4.0941 4.0941 4.8365 4.8365 4.8370 4.8370 12.1485 12.1485 12.1491 12.1491 12.2064 12.2064 12.2159 12.2159 13.4372 13.4372 k = 0.1815 0.2934 0.5383 ( 4332 PWs) bands (ev): -13.6204 -13.6204 -13.6203 -13.6203 -9.7936 -9.7936 -9.7922 -9.7922 -9.4544 -9.4544 -9.4526 -9.4526 -3.2793 -3.2793 -3.2788 -3.2788 -0.5925 -0.5925 -0.5882 -0.5882 -0.1785 -0.1785 -0.1778 -0.1778 0.6184 0.6184 0.6293 0.6293 1.7276 1.7276 1.7339 1.7339 2.2999 2.2999 2.3089 2.3089 3.2699 3.2699 3.2774 3.2774 4.0854 4.0854 4.0854 4.0854 4.8728 4.8728 4.8732 4.8732 12.1248 12.1248 12.1257 12.1257 12.1515 12.1515 12.1601 12.1601 13.4300 13.4300 k = 0.1728 0.2794 0.5383 ( 4336 PWs) bands (ev): -13.6238 -13.6238 -13.6237 -13.6237 -9.8183 -9.8183 -9.8170 -9.8170 -9.4098 -9.4098 -9.4080 -9.4080 -3.3391 -3.3391 -3.3386 -3.3386 -0.5398 -0.5398 -0.5352 -0.5352 -0.2165 -0.2165 -0.2160 -0.2160 0.6192 0.6192 0.6302 0.6302 1.7427 1.7427 1.7486 1.7486 2.3157 2.3157 2.3249 2.3249 3.2760 3.2760 3.2837 3.2837 4.0778 4.0778 4.0778 4.0778 4.9082 4.9082 4.9085 4.9085 12.0937 12.0937 12.1026 12.1026 12.1060 12.1060 12.1061 12.1061 13.4121 13.4121 k = 0.1642 0.2654 0.5383 ( 4340 PWs) bands (ev): -13.6271 -13.6271 -13.6270 -13.6270 -9.8420 -9.8420 -9.8408 -9.8408 -9.3655 -9.3655 -9.3637 -9.3637 -3.3985 -3.3985 -3.3979 -3.3979 -0.4904 -0.4904 -0.4856 -0.4856 -0.2534 -0.2534 -0.2530 -0.2530 0.6208 0.6208 0.6319 0.6319 1.7578 1.7578 1.7635 1.7635 2.3318 2.3318 2.3409 2.3409 3.2834 3.2834 3.2913 3.2913 4.0710 4.0710 4.0710 4.0710 4.9426 4.9426 4.9427 4.9427 12.0400 12.0400 12.0486 12.0486 12.0855 12.0855 12.0857 12.0857 13.3852 13.3852 k = 0.1555 0.2515 0.5383 ( 4340 PWs) bands (ev): -13.6304 -13.6304 -13.6303 -13.6303 -9.8646 -9.8646 -9.8634 -9.8634 -9.3217 -9.3217 -9.3199 -9.3199 -3.4573 -3.4573 -3.4567 -3.4567 -0.4446 -0.4446 -0.4396 -0.4396 -0.2889 -0.2889 -0.2886 -0.2886 0.6233 0.6233 0.6344 0.6344 1.7730 1.7730 1.7783 1.7783 2.3477 2.3477 2.3569 2.3569 3.2923 3.2923 3.3003 3.3003 4.0651 4.0651 4.0652 4.0652 4.9759 4.9759 4.9759 4.9759 11.9858 11.9858 11.9939 11.9939 12.0687 12.0687 12.0688 12.0688 13.3510 13.3510 k = 0.1469 0.2375 0.5383 ( 4348 PWs) bands (ev): -13.6335 -13.6335 -13.6334 -13.6334 -9.8862 -9.8862 -9.8850 -9.8850 -9.2786 -9.2786 -9.2768 -9.2768 -3.5152 -3.5152 -3.5146 -3.5146 -0.4024 -0.4024 -0.3972 -0.3972 -0.3229 -0.3229 -0.3227 -0.3227 0.6267 0.6267 0.6377 0.6377 1.7881 1.7881 1.7931 1.7931 2.3633 2.3633 2.3723 2.3723 3.3026 3.3026 3.3107 3.3107 4.0600 4.0600 4.0601 4.0601 5.0078 5.0078 5.0079 5.0079 11.9327 11.9327 11.9402 11.9402 12.0542 12.0542 12.0543 12.0543 13.3116 13.3116 k = 0.1383 0.2235 0.5383 ( 4352 PWs) bands (ev): -13.6366 -13.6366 -13.6365 -13.6365 -9.9065 -9.9065 -9.9055 -9.9055 -9.2362 -9.2362 -9.2345 -9.2345 -3.5720 -3.5720 -3.5713 -3.5713 -0.3648 -0.3648 -0.3587 -0.3587 -0.3549 -0.3549 -0.3542 -0.3542 0.6310 0.6310 0.6418 0.6418 1.8029 1.8029 1.8076 1.8076 2.3782 2.3782 2.3870 2.3870 3.3145 3.3145 3.3225 3.3225 4.0557 4.0557 4.0558 4.0558 5.0383 5.0383 5.0386 5.0386 11.8809 11.8809 11.8880 11.8880 12.0420 12.0420 12.0421 12.0421 13.2689 13.2690 k = 0.1296 0.2095 0.5383 ( 4356 PWs) bands (ev): -13.6395 -13.6395 -13.6394 -13.6394 -9.9258 -9.9258 -9.9247 -9.9247 -9.1950 -9.1950 -9.1933 -9.1933 -3.6274 -3.6274 -3.6267 -3.6267 -0.3867 -0.3867 -0.3863 -0.3863 -0.3280 -0.3280 -0.3230 -0.3230 0.6360 0.6360 0.6466 0.6466 1.8175 1.8175 1.8218 1.8218 2.3922 2.3922 2.4008 2.4008 3.3278 3.3278 3.3358 3.3358 4.0520 4.0520 4.0521 4.0521 5.0675 5.0675 5.0678 5.0678 11.8309 11.8309 11.8375 11.8375 12.0320 12.0320 12.0322 12.0322 13.2246 13.2246 k = 0.1210 0.1956 0.5383 ( 4356 PWs) bands (ev): -13.6423 -13.6423 -13.6422 -13.6422 -9.9438 -9.9438 -9.9429 -9.9429 -9.1549 -9.1549 -9.1533 -9.1533 -3.6811 -3.6811 -3.6804 -3.6804 -0.4157 -0.4157 -0.4155 -0.4155 -0.2963 -0.2963 -0.2912 -0.2912 0.6417 0.6417 0.6520 0.6520 1.8316 1.8316 1.8356 1.8356 2.4051 2.4051 2.4135 2.4135 3.3425 3.3425 3.3503 3.3503 4.0489 4.0489 4.0491 4.0491 5.0951 5.0951 5.0955 5.0955 11.7828 11.7828 11.7889 11.7889 12.0241 12.0241 12.0243 12.0243 13.1801 13.1801 k = 0.1123 0.1816 0.5383 ( 4360 PWs) bands (ev): -13.6450 -13.6450 -13.6449 -13.6449 -9.9607 -9.9607 -9.9598 -9.9598 -9.1163 -9.1163 -9.1148 -9.1148 -3.7327 -3.7327 -3.7321 -3.7321 -0.4430 -0.4430 -0.4429 -0.4429 -0.2677 -0.2677 -0.2627 -0.2627 0.6480 0.6480 0.6579 0.6579 1.8452 1.8452 1.8489 1.8489 2.4168 2.4168 2.4249 2.4249 3.3584 3.3584 3.3660 3.3660 4.0463 4.0463 4.0465 4.0465 5.1211 5.1211 5.1216 5.1216 11.7369 11.7369 11.7427 11.7427 12.0181 12.0181 12.0183 12.0183 13.1365 13.1365 k = 0.1037 0.1676 0.5383 ( 4352 PWs) bands (ev): -13.6475 -13.6475 -13.6475 -13.6475 -9.9763 -9.9763 -9.9755 -9.9755 -9.0794 -9.0794 -9.0779 -9.0779 -3.7822 -3.7822 -3.7815 -3.7815 -0.4685 -0.4685 -0.4684 -0.4684 -0.2422 -0.2422 -0.2374 -0.2374 0.6549 0.6549 0.6643 0.6643 1.8581 1.8581 1.8615 1.8615 2.4273 2.4273 2.4349 2.4349 3.3753 3.3753 3.3826 3.3826 4.0442 4.0442 4.0444 4.0444 5.1454 5.1454 5.1460 5.1460 11.6936 11.6936 11.6989 11.6989 12.0138 12.0138 12.0140 12.0140 13.0949 13.0949 k = 0.0951 0.1537 0.5383 ( 4344 PWs) bands (ev): -13.6499 -13.6499 -13.6498 -13.6498 -9.9908 -9.9908 -9.9900 -9.9900 -9.0443 -9.0443 -9.0430 -9.0430 -3.8290 -3.8290 -3.8283 -3.8283 -0.4921 -0.4921 -0.4920 -0.4920 -0.2197 -0.2197 -0.2151 -0.2151 0.6621 0.6621 0.6709 0.6709 1.8704 1.8704 1.8735 1.8735 2.4364 2.4364 2.4436 2.4436 3.3928 3.3928 3.3997 3.3997 4.0425 4.0425 4.0427 4.0427 5.1680 5.1680 5.1686 5.1686 11.6529 11.6529 11.6578 11.6578 12.0110 12.0110 12.0112 12.0112 13.0560 13.0560 k = 0.0864 0.1397 0.5383 ( 4340 PWs) bands (ev): -13.6521 -13.6521 -13.6520 -13.6520 -10.0040 -10.0040 -10.0033 -10.0033 -9.0113 -9.0113 -9.0101 -9.0101 -3.8729 -3.8729 -3.8723 -3.8723 -0.5137 -0.5137 -0.5137 -0.5137 -0.2000 -0.2000 -0.1956 -0.1956 0.6694 0.6694 0.6777 0.6777 1.8819 1.8819 1.8847 1.8847 2.4443 2.4443 2.4509 2.4509 3.4107 3.4107 3.4171 3.4171 4.0412 4.0412 4.0414 4.0414 5.1888 5.1888 5.1894 5.1894 11.6152 11.6152 11.6196 11.6196 12.0094 12.0094 12.0096 12.0096 13.0204 13.0205 k = 0.0778 0.1257 0.5383 ( 4344 PWs) bands (ev): -13.6541 -13.6541 -13.6540 -13.6540 -10.0160 -10.0160 -10.0153 -10.0153 -8.9807 -8.9807 -8.9795 -8.9795 -3.9138 -3.9138 -3.9131 -3.9131 -0.5334 -0.5334 -0.5334 -0.5334 -0.1829 -0.1829 -0.1788 -0.1788 0.6768 0.6768 0.6844 0.6844 1.8926 1.8926 1.8951 1.8951 2.4509 2.4509 2.4570 2.4570 3.4285 3.4285 3.4345 3.4345 4.0402 4.0402 4.0404 4.0404 5.2077 5.2077 5.2083 5.2083 11.5805 11.5805 11.5845 11.5845 12.0087 12.0087 12.0089 12.0089 12.9886 12.9886 k = 0.0691 0.1118 0.5383 ( 4344 PWs) bands (ev): -13.6559 -13.6559 -13.6559 -13.6559 -10.0267 -10.0267 -10.0261 -10.0261 -8.9525 -8.9525 -8.9514 -8.9514 -3.9511 -3.9511 -3.9506 -3.9506 -0.5511 -0.5511 -0.5511 -0.5511 -0.1681 -0.1681 -0.1644 -0.1644 0.6840 0.6840 0.6908 0.6908 1.9023 1.9023 1.9045 1.9045 2.4565 2.4565 2.4619 2.4619 3.4458 3.4458 3.4513 3.4513 4.0394 4.0394 4.0396 4.0396 5.2247 5.2247 5.2253 5.2253 11.5491 11.5491 11.5526 11.5526 12.0086 12.0086 12.0087 12.0087 12.9609 12.9609 k = 0.0605 0.0978 0.5383 ( 4348 PWs) bands (ev): -13.6576 -13.6576 -13.6575 -13.6575 -10.0362 -10.0362 -10.0357 -10.0357 -8.9271 -8.9271 -8.9261 -8.9261 -3.9848 -3.9848 -3.9843 -3.9843 -0.5667 -0.5667 -0.5667 -0.5667 -0.1556 -0.1556 -0.1523 -0.1523 0.6908 0.6908 0.6969 0.6969 1.9111 1.9111 1.9130 1.9130 2.4610 2.4610 2.4658 2.4658 3.4623 3.4623 3.4672 3.4672 4.0388 4.0388 4.0390 4.0390 5.2398 5.2398 5.2404 5.2404 11.5210 11.5210 11.5241 11.5241 12.0089 12.0089 12.0090 12.0090 12.9373 12.9373 k = 0.0518 0.0838 0.5383 ( 4354 PWs) bands (ev): -13.6590 -13.6590 -13.6590 -13.6590 -10.0444 -10.0444 -10.0440 -10.0440 -8.9046 -8.9046 -8.9038 -8.9038 -4.0146 -4.0146 -4.0141 -4.0141 -0.5803 -0.5803 -0.5803 -0.5803 -0.1451 -0.1451 -0.1422 -0.1422 0.6972 0.6972 0.7025 0.7025 1.9188 1.9188 1.9204 1.9204 2.4646 2.4646 2.4688 2.4688 3.4776 3.4776 3.4818 3.4818 4.0384 4.0384 4.0385 4.0385 5.2529 5.2529 5.2535 5.2535 11.4964 11.4964 11.4991 11.4991 12.0094 12.0094 12.0095 12.0095 12.9178 12.9178 k = 0.0432 0.0698 0.5383 ( 4350 PWs) bands (ev): -13.6602 -13.6602 -13.6602 -13.6602 -10.0514 -10.0514 -10.0510 -10.0510 -8.8852 -8.8852 -8.8845 -8.8845 -4.0402 -4.0402 -4.0398 -4.0398 -0.5918 -0.5918 -0.5918 -0.5918 -0.1364 -0.1364 -0.1340 -0.1340 0.7029 0.7029 0.7074 0.7074 1.9254 1.9254 1.9268 1.9268 2.4675 2.4675 2.4710 2.4710 3.4912 3.4912 3.4948 3.4948 4.0381 4.0381 4.0382 4.0382 5.2641 5.2641 5.2645 5.2645 11.4755 11.4755 11.4777 11.4777 12.0099 12.0099 12.0100 12.0100 12.9022 12.9022 k = 0.0346 0.0559 0.5383 ( 4350 PWs) bands (ev): -13.6612 -13.6612 -13.6612 -13.6612 -10.0571 -10.0571 -10.0568 -10.0568 -8.8691 -8.8691 -8.8686 -8.8686 -4.0614 -4.0614 -4.0611 -4.0611 -0.6013 -0.6013 -0.6013 -0.6013 -0.1295 -0.1295 -0.1275 -0.1275 0.7079 0.7079 0.7115 0.7115 1.9309 1.9309 1.9320 1.9320 2.4697 2.4697 2.4725 2.4725 3.5029 3.5029 3.5058 3.5058 4.0379 4.0379 4.0380 4.0380 5.2732 5.2732 5.2736 5.2736 11.4583 11.4583 11.4601 11.4601 12.0104 12.0104 12.0105 12.0105 12.8903 12.8904 k = 0.0259 0.0419 0.5383 ( 4350 PWs) bands (ev): -13.6620 -13.6620 -13.6620 -13.6620 -10.0615 -10.0615 -10.0613 -10.0613 -8.8564 -8.8564 -8.8560 -8.8560 -4.0781 -4.0781 -4.0778 -4.0778 -0.6086 -0.6086 -0.6086 -0.6086 -0.1242 -0.1242 -0.1227 -0.1227 0.7120 0.7120 0.7147 0.7147 1.9353 1.9353 1.9361 1.9361 2.4714 2.4714 2.4735 2.4735 3.5124 3.5124 3.5146 3.5146 4.0378 4.0378 4.0379 4.0379 5.2804 5.2804 5.2807 5.2807 11.4449 11.4449 11.4462 11.4462 12.0107 12.0107 12.0108 12.0108 12.8816 12.8816 k = 0.0173 0.0279 0.5383 ( 4360 PWs) bands (ev): -13.6626 -13.6626 -13.6626 -13.6626 -10.0646 -10.0646 -10.0645 -10.0645 -8.8473 -8.8473 -8.8470 -8.8470 -4.0901 -4.0901 -4.0899 -4.0899 -0.6139 -0.6139 -0.6139 -0.6139 -0.1204 -0.1204 -0.1194 -0.1194 0.7151 0.7151 0.7169 0.7169 1.9384 1.9384 1.9390 1.9390 2.4726 2.4726 2.4741 2.4741 3.5195 3.5195 3.5210 3.5210 4.0378 4.0378 4.0378 4.0378 5.2855 5.2855 5.2857 5.2857 11.4353 11.4353 11.4362 11.4362 12.0110 12.0110 12.0110 12.0110 12.8758 12.8758 k = 0.0086 0.0140 0.5383 ( 4364 PWs) bands (ev): -13.6629 -13.6629 -13.6629 -13.6629 -10.0665 -10.0665 -10.0664 -10.0664 -8.8417 -8.8417 -8.8415 -8.8415 -4.0973 -4.0973 -4.0972 -4.0972 -0.6171 -0.6171 -0.6171 -0.6171 -0.1180 -0.1180 -0.1175 -0.1175 0.7172 0.7172 0.7181 0.7181 1.9404 1.9404 1.9407 1.9407 2.4735 2.4735 2.4742 2.4742 3.5239 3.5239 3.5247 3.5247 4.0377 4.0377 4.0378 4.0378 5.2886 5.2886 5.2887 5.2887 11.4296 11.4296 11.4301 11.4301 12.0111 12.0111 12.0111 12.0111 12.8724 12.8724 k = 0.0000 0.0000 0.5383 ( 4356 PWs) bands (ev): -13.6630 -13.6630 -13.6630 -13.6630 -10.0671 -10.0671 -10.0671 -10.0671 -8.8398 -8.8398 -8.8398 -8.8398 -4.0997 -4.0997 -4.0997 -4.0997 -0.6181 -0.6181 -0.6181 -0.6181 -0.1171 -0.1171 -0.1171 -0.1171 0.7182 0.7182 0.7182 0.7182 1.9411 1.9411 1.9411 1.9411 2.4740 2.4740 2.4740 2.4740 3.5257 3.5257 3.5257 3.5257 4.0377 4.0377 4.0377 4.0377 5.2897 5.2897 5.2897 5.2897 11.4279 11.4279 11.4279 11.4279 12.0112 12.0112 12.0112 12.0112 12.8713 12.8713 k = 0.0000 0.0000 0.5383 ( 4356 PWs) bands (ev): -13.6630 -13.6630 -13.6630 -13.6630 -10.0671 -10.0671 -10.0671 -10.0671 -8.8398 -8.8398 -8.8398 -8.8398 -4.0997 -4.0997 -4.0997 -4.0997 -0.6181 -0.6181 -0.6181 -0.6181 -0.1171 -0.1171 -0.1171 -0.1171 0.7182 0.7182 0.7182 0.7182 1.9411 1.9411 1.9411 1.9411 2.4740 2.4740 2.4740 2.4740 3.5257 3.5257 3.5257 3.5257 4.0377 4.0377 4.0377 4.0377 5.2897 5.2897 5.2897 5.2897 11.4279 11.4279 11.4279 11.4279 12.0112 12.0112 12.0112 12.0112 12.8713 12.8713 k = 0.0000 0.0000 0.5220 ( 4360 PWs) bands (ev): -13.6749 -13.6749 -13.6512 -13.6512 -10.1099 -10.1099 -10.0233 -10.0233 -8.8452 -8.8452 -8.8349 -8.8349 -4.1010 -4.1010 -4.0958 -4.0958 -0.6359 -0.6359 -0.5997 -0.5997 -0.2039 -0.2039 -0.0433 -0.0433 0.7063 0.7063 0.7429 0.7429 1.9150 1.9150 1.9628 1.9628 2.4708 2.4708 2.4790 2.4790 3.5144 3.5144 3.5368 3.5368 4.0125 4.0125 4.0616 4.0616 5.2705 5.2705 5.3077 5.3077 11.4230 11.4230 11.4427 11.4427 12.0060 12.0060 12.0151 12.0151 12.8322 12.8322 k = 0.0000 0.0000 0.5057 ( 4370 PWs) bands (ev): -13.6870 -13.6870 -13.6395 -13.6395 -10.1515 -10.1515 -9.9785 -9.9785 -8.8511 -8.8511 -8.8306 -8.8306 -4.1000 -4.1000 -4.0895 -4.0895 -0.6531 -0.6531 -0.5808 -0.5808 -0.3009 -0.3009 0.0151 0.0151 0.7048 0.7048 0.7823 0.7823 1.8844 1.8844 1.9800 1.9800 2.4691 2.4691 2.4860 2.4860 3.5031 3.5031 3.5478 3.5478 3.9860 3.9860 4.0840 4.0840 5.2504 5.2504 5.3246 5.3246 11.4279 11.4279 11.4674 11.4674 12.0004 12.0004 12.0166 12.0166 12.7929 12.7929 k = 0.0000 0.0000 0.4893 ( 4356 PWs) bands (ev): -13.6990 -13.6990 -13.6280 -13.6280 -10.1919 -10.1919 -9.9327 -9.9327 -8.8575 -8.8575 -8.8269 -8.8269 -4.0966 -4.0966 -4.0807 -4.0807 -0.6694 -0.6694 -0.5615 -0.5615 -0.4055 -0.4055 0.0575 0.0575 0.7112 0.7112 0.8366 0.8366 1.8496 1.8496 1.9924 1.9924 2.4686 2.4686 2.4954 2.4954 3.4917 3.4917 3.5587 3.5587 3.9583 3.9583 4.1050 4.1050 5.2292 5.2292 5.3403 5.3403 11.4428 11.4428 11.5016 11.5016 11.9951 11.9951 12.0141 12.0141 12.7560 12.7560 k = 0.0000 0.0000 0.4730 ( 4350 PWs) bands (ev): -13.7112 -13.7112 -13.6167 -13.6167 -10.2312 -10.2312 -9.8860 -9.8860 -8.8643 -8.8643 -8.8237 -8.8237 -4.0910 -4.0910 -4.0694 -4.0694 -0.6850 -0.6850 -0.5421 -0.5421 -0.5150 -0.5150 0.0851 0.0851 0.7236 0.7236 0.9042 0.9042 1.8108 1.8108 2.0002 2.0002 2.4693 2.4693 2.5073 2.5073 3.4802 3.4802 3.5694 3.5694 3.9295 3.9295 4.1247 4.1247 5.2071 5.2071 5.3549 5.3549 11.4674 11.4674 11.5453 11.5453 11.9906 11.9906 12.0061 12.0061 12.7238 12.7238 k = 0.0000 0.0000 0.4567 ( 4348 PWs) bands (ev): -13.7233 -13.7233 -13.6056 -13.6056 -10.2692 -10.2692 -9.8385 -9.8385 -8.8716 -8.8716 -8.8212 -8.8212 -4.0831 -4.0831 -4.0556 -4.0556 -0.6996 -0.6996 -0.6288 -0.6288 -0.5218 -0.5218 0.1005 0.1005 0.7406 0.7406 0.9819 0.9819 1.7680 1.7680 2.0031 2.0031 2.4709 2.4709 2.5222 2.5222 3.4687 3.4687 3.5799 3.5799 3.9000 3.9000 4.1431 4.1431 5.1842 5.1842 5.3683 5.3683 11.5016 11.5016 11.5981 11.5981 11.9870 11.9870 11.9908 11.9908 12.6990 12.6990 k = 0.0000 0.0000 0.4404 ( 4336 PWs) bands (ev): -13.7353 -13.7353 -13.5947 -13.5947 -10.3059 -10.3059 -9.7903 -9.7903 -8.8793 -8.8793 -8.8191 -8.8191 -4.0732 -4.0732 -4.0394 -4.0394 -0.7444 -0.7444 -0.7132 -0.7132 -0.5017 -0.5017 0.1065 0.1065 0.7610 0.7610 1.0664 1.0664 1.7214 1.7214 2.0013 2.0013 2.4732 2.4732 2.5405 2.5405 3.4572 3.4572 3.5902 3.5902 3.8699 3.8699 4.1604 4.1604 5.1605 5.1605 5.3806 5.3806 11.5451 11.5451 11.6595 11.6595 11.9668 11.9668 11.9848 11.9848 12.6833 12.6833 k = 0.0000 0.0000 0.4241 ( 4340 PWs) bands (ev): -13.7473 -13.7473 -13.5841 -13.5841 -10.3413 -10.3413 -9.7414 -9.7414 -8.8873 -8.8873 -8.8176 -8.8176 -4.0614 -4.0614 -4.0208 -4.0208 -0.8612 -0.8612 -0.7258 -0.7258 -0.4814 -0.4814 0.1056 0.1056 0.7842 0.7842 1.1543 1.1543 1.6713 1.6713 1.9946 1.9946 2.4761 2.4761 2.5625 2.5625 3.4457 3.4457 3.6003 3.6003 3.8395 3.8395 4.1766 4.1766 5.1362 5.1362 5.3918 5.3918 11.5976 11.5976 11.7292 11.7292 11.9337 11.9337 11.9838 11.9838 12.6778 12.6778 k = 0.0000 0.0000 0.4078 ( 4336 PWs) bands (ev): -13.7592 -13.7592 -13.5737 -13.5737 -10.3755 -10.3755 -9.6921 -9.6921 -8.8957 -8.8957 -8.8166 -8.8166 -4.0477 -4.0477 -3.9999 -3.9999 -0.9784 -0.9784 -0.7371 -0.7371 -0.4611 -0.4611 0.1000 0.1000 0.8094 0.8094 1.2431 1.2431 1.6179 1.6179 1.9830 1.9830 2.4793 2.4793 2.5887 2.5887 3.4343 3.4343 3.6102 3.6102 3.8092 3.8092 4.1920 4.1920 5.1113 5.1113 5.4020 5.4020 11.6588 11.6588 11.8067 11.8067 11.8918 11.8918 11.9843 11.9843 12.6826 12.6826 k = 0.0000 0.0000 0.3915 ( 4346 PWs) bands (ev): -13.7710 -13.7710 -13.5637 -13.5637 -10.4083 -10.4083 -9.6423 -9.6423 -8.9042 -8.9042 -8.8161 -8.8161 -4.0324 -4.0324 -3.9768 -3.9768 -1.0953 -1.0953 -0.7473 -0.7473 -0.4408 -0.4408 0.0911 0.0911 0.8363 0.8363 1.3306 1.3306 1.5614 1.5614 1.9667 1.9667 2.4828 2.4828 2.6195 2.6195 3.4230 3.4230 3.6199 3.6199 3.7793 3.7793 4.2066 4.2066 5.0860 5.0860 5.4111 5.4111 11.7282 11.7282 11.8422 11.8422 11.8914 11.8914 11.9861 11.9861 12.6968 12.6968 k = 0.0000 0.0000 0.3752 ( 4346 PWs) bands (ev): -13.7826 -13.7826 -13.5540 -13.5540 -10.4398 -10.4398 -9.5922 -9.5922 -8.9130 -8.9130 -8.8161 -8.8161 -4.0156 -4.0156 -3.9517 -3.9517 -1.2114 -1.2114 -0.7561 -0.7561 -0.4206 -0.4206 0.0799 0.0799 0.8646 0.8646 1.4150 1.4150 1.5021 1.5021 1.9457 1.9457 2.4862 2.4862 2.6554 2.6554 3.4119 3.4119 3.6294 3.6294 3.7500 3.7500 4.2206 4.2206 5.0604 5.0604 5.4194 5.4194 11.7861 11.7861 11.8056 11.8056 11.9821 11.9821 11.9895 11.9895 12.7194 12.7194 k = 0.0000 0.0000 0.3589 ( 4336 PWs) bands (ev): -13.7940 -13.7940 -13.5446 -13.5446 -10.4699 -10.4699 -9.5420 -9.5420 -8.9219 -8.9219 -8.8166 -8.8166 -3.9974 -3.9974 -3.9245 -3.9245 -1.3262 -1.3262 -0.7635 -0.7635 -0.4004 -0.4004 0.0673 0.0673 0.8938 0.8938 1.4403 1.4403 1.4951 1.4951 1.9202 1.9202 2.4896 2.4896 2.6965 2.6965 3.4009 3.4009 3.6386 3.6386 3.7218 3.7218 4.2342 4.2342 5.0347 5.0347 5.4268 5.4268 11.7255 11.7255 11.8899 11.8899 11.9934 11.9934 12.0791 12.0791 12.7491 12.7491 k = 0.0000 0.0000 0.3425 ( 4334 PWs) bands (ev): -13.8051 -13.8051 -13.5355 -13.5355 -10.4986 -10.4986 -9.4918 -9.4918 -8.9309 -8.9309 -8.8174 -8.8174 -3.9781 -3.9781 -3.8956 -3.8956 -1.4393 -1.4393 -0.7695 -0.7695 -0.3804 -0.3804 0.0537 0.0537 0.9239 0.9239 1.3764 1.3764 1.5696 1.5696 1.8903 1.8903 2.4928 2.4928 2.7431 2.7431 3.3901 3.3901 3.6475 3.6475 3.6949 3.6949 4.2473 4.2473 5.0089 5.0089 5.4334 5.4334 11.6611 11.6611 11.9811 11.9811 11.9988 11.9988 12.1801 12.1801 12.7846 12.7846 k = 0.0000 0.0000 0.3262 ( 4330 PWs) bands (ev): -13.8161 -13.8161 -13.5268 -13.5268 -10.5260 -10.5260 -9.4418 -9.4418 -8.9399 -8.9399 -8.8185 -8.8185 -3.9578 -3.9578 -3.8650 -3.8650 -1.5503 -1.5503 -0.7740 -0.7740 -0.3607 -0.3607 0.0396 0.0396 0.9546 0.9546 1.3107 1.3107 1.6382 1.6382 1.8564 1.8564 2.4956 2.4956 2.7949 2.7949 3.3796 3.3796 3.6546 3.6546 3.6709 3.6709 4.2600 4.2600 4.9832 4.9832 5.4394 5.4394 11.5944 11.5944 12.0049 12.0049 12.0787 12.0787 12.2839 12.2839 12.8249 12.8249 k = 0.0000 0.0000 0.3099 ( 4330 PWs) bands (ev): -13.8267 -13.8267 -13.5184 -13.5184 -10.5521 -10.5521 -9.3920 -9.3920 -8.9489 -8.9489 -8.8200 -8.8200 -3.9367 -3.9367 -3.8330 -3.8330 -1.6587 -1.6587 -0.7769 -0.7769 -0.3411 -0.3411 0.0253 0.0253 0.9858 0.9858 1.2434 1.2434 1.7003 1.7003 1.8187 1.8187 2.4978 2.4978 2.8516 2.8516 3.3695 3.3695 3.6423 3.6423 3.6676 3.6676 4.2725 4.2725 4.9577 4.9577 5.4448 5.4448 11.5262 11.5262 12.0119 12.0119 12.1819 12.1819 12.3877 12.3877 12.8690 12.8690 k = 0.0000 0.0000 0.2936 ( 4338 PWs) bands (ev): -13.8369 -13.8369 -13.5105 -13.5105 -10.5767 -10.5767 -9.3428 -9.3428 -8.9578 -8.9578 -8.8218 -8.8218 -3.9151 -3.9151 -3.7998 -3.7998 -1.7644 -1.7644 -0.7783 -0.7783 -0.3218 -0.3218 0.0111 0.0111 1.0171 1.0171 1.1751 1.1751 1.7560 1.7560 1.7776 1.7776 2.4995 2.4995 2.9126 2.9126 3.3598 3.3598 3.6205 3.6205 3.6754 3.6754 4.2848 4.2848 4.9326 4.9326 5.4497 5.4497 11.4572 11.4572 12.0193 12.0193 12.2902 12.2902 12.4864 12.4864 12.9012 12.9012 k = 0.0000 0.0000 0.2773 ( 4350 PWs) bands (ev): -13.8469 -13.8469 -13.5029 -13.5029 -10.6001 -10.6001 -9.2943 -9.2943 -8.9666 -8.9666 -8.8238 -8.8238 -3.8931 -3.8931 -3.7655 -3.7655 -1.8669 -1.8669 -0.7782 -0.7782 -0.3027 -0.3027 -0.0030 -0.0030 1.0486 1.0486 1.1061 1.1061 1.7334 1.7334 1.8057 1.8057 2.5005 2.5005 2.9768 2.9768 3.3507 3.3507 3.5997 3.5997 3.6836 3.6836 4.2968 4.2968 4.9080 4.9080 5.4543 5.4543 11.3883 11.3883 12.0271 12.0271 12.4030 12.4030 12.5704 12.5704 12.8874 12.8874 k = 0.0000 0.0000 0.2610 ( 4344 PWs) bands (ev): -13.8564 -13.8564 -13.4957 -13.4957 -10.6220 -10.6220 -9.2467 -9.2467 -8.9752 -8.9752 -8.8260 -8.8260 -3.8709 -3.8709 -3.7305 -3.7305 -1.9658 -1.9658 -0.7765 -0.7765 -0.2840 -0.2840 -0.0167 -0.0167 1.0364 1.0364 1.0802 1.0802 1.6869 1.6869 1.8495 1.8495 2.5007 2.5007 3.0431 3.0431 3.3425 3.3425 3.5805 3.5805 3.6917 3.6917 4.3087 4.3087 4.8841 4.8841 5.4587 5.4587 11.3199 11.3199 12.0349 12.0349 12.5196 12.5196 12.6229 12.6229 12.8746 12.8746 k = 0.0000 0.0000 0.2447 ( 4348 PWs) bands (ev): -13.8655 -13.8655 -13.4889 -13.4889 -10.6426 -10.6426 -9.2002 -9.2002 -8.9836 -8.9836 -8.8283 -8.8283 -3.8488 -3.8488 -3.6951 -3.6951 -2.0610 -2.0610 -0.7733 -0.7733 -0.2655 -0.2655 -0.0300 -0.0300 0.9672 0.9672 1.1113 1.1113 1.6384 1.6384 1.8882 1.8882 2.5002 2.5002 3.1098 3.1098 3.3359 3.3359 3.5630 3.5630 3.6996 3.6996 4.3203 4.3203 4.8608 4.8608 5.4629 5.4629 11.2526 11.2526 12.0427 12.0427 12.6291 12.6291 12.6407 12.6407 12.8636 12.8636 k = 0.0000 0.0000 0.2284 ( 4344 PWs) bands (ev): -13.8742 -13.8742 -13.4826 -13.4826 -10.6618 -10.6618 -9.1551 -9.1551 -8.9916 -8.9916 -8.8307 -8.8307 -3.8270 -3.8270 -3.6595 -3.6595 -2.1520 -2.1520 -0.7687 -0.7687 -0.2473 -0.2473 -0.0427 -0.0427 0.8983 0.8983 1.1420 1.1420 1.5886 1.5886 1.9222 1.9222 2.4988 2.4988 3.1742 3.1742 3.3324 3.3324 3.5472 3.5472 3.7074 3.7074 4.3316 4.3316 4.8385 4.8385 5.4670 5.4670 11.1869 11.1869 12.0501 12.0501 12.6006 12.6006 12.7618 12.7618 12.8549 12.8549 k = 0.0000 0.0000 0.2120 ( 4338 PWs) bands (ev): -13.8824 -13.8824 -13.4766 -13.4766 -10.6797 -10.6797 -9.1116 -9.1116 -8.9993 -8.9993 -8.8332 -8.8332 -3.8055 -3.8055 -3.6240 -3.6240 -2.2386 -2.2386 -0.7627 -0.7627 -0.2293 -0.2293 -0.0547 -0.0547 0.8303 0.8303 1.1722 1.1722 1.5379 1.5379 1.9521 1.9521 2.4965 2.4965 3.2299 3.2299 3.3375 3.3375 3.5330 3.5330 3.7150 3.7150 4.3426 4.3426 4.8172 4.8172 5.4711 5.4711 11.1231 11.1231 12.0571 12.0571 12.5517 12.5517 12.8484 12.8484 12.8859 12.8859 k = 0.0000 0.0000 0.1957 ( 4334 PWs) bands (ev): -13.8901 -13.8901 -13.4711 -13.4711 -10.6962 -10.6962 -9.0699 -9.0699 -9.0066 -9.0066 -8.8356 -8.8356 -3.7848 -3.7848 -3.5890 -3.5890 -2.3204 -2.3204 -0.7554 -0.7554 -0.2115 -0.2115 -0.0661 -0.0661 0.7637 0.7637 1.2015 1.2015 1.4872 1.4872 1.9783 1.9783 2.4936 2.4936 3.2630 3.2630 3.3639 3.3639 3.5203 3.5203 3.7223 3.7223 4.3533 4.3533 4.7970 4.7970 5.4753 5.4753 11.0618 11.0618 12.0634 12.0634 12.4955 12.4955 12.8445 12.8445 13.0108 13.0108 k = 0.0000 0.0000 0.1794 ( 4338 PWs) bands (ev): -13.8972 -13.8972 -13.4660 -13.4660 -10.7113 -10.7113 -9.0304 -9.0304 -9.0135 -9.0135 -8.8381 -8.8381 -3.7649 -3.7649 -3.5548 -3.5548 -2.3971 -2.3971 -0.7471 -0.7471 -0.1939 -0.1939 -0.0767 -0.0767 0.6987 0.6987 1.2299 1.2299 1.4369 1.4369 2.0014 2.0014 2.4899 2.4899 3.2720 3.2720 3.4124 3.4124 3.5092 3.5092 3.7292 3.7292 4.3635 4.3635 4.7780 4.7780 5.4795 5.4795 11.0033 11.0033 12.0691 12.0691 12.4379 12.4379 12.8429 12.8429 13.1358 13.1358 k = 0.0000 0.0000 0.1631 ( 4322 PWs) bands (ev): -13.9039 -13.9039 -13.4613 -13.4613 -10.7252 -10.7252 -9.0201 -9.0201 -8.9930 -8.9930 -8.8404 -8.8404 -3.7461 -3.7461 -3.5218 -3.5218 -2.4685 -2.4685 -0.7380 -0.7380 -0.1765 -0.1765 -0.0865 -0.0865 0.6359 0.6359 1.2570 1.2570 1.3877 1.3877 2.0217 2.0217 2.4856 2.4856 3.2714 3.2714 3.4671 3.4671 3.5001 3.5001 3.7359 3.7359 4.3732 4.3732 4.7603 4.7603 5.4838 5.4838 10.9481 10.9481 12.0739 12.0739 12.3819 12.3819 12.8435 12.8435 13.2599 13.2599 k = 0.0000 0.0000 0.1468 ( 4322 PWs) bands (ev): -13.9099 -13.9099 -13.4571 -13.4571 -10.7377 -10.7377 -9.0260 -9.0260 -8.9583 -8.9583 -8.8427 -8.8427 -3.7285 -3.7285 -3.4904 -3.4904 -2.5341 -2.5341 -0.7282 -0.7282 -0.1592 -0.1592 -0.0955 -0.0955 0.5757 0.5757 1.2826 1.2826 1.3404 1.3404 2.0395 2.0395 2.4809 2.4809 3.2679 3.2679 3.4889 3.4889 3.5244 3.5244 3.7422 3.7422 4.3823 4.3823 4.7440 4.7440 5.4882 5.4882 10.8966 10.8966 12.0781 12.0781 12.3290 12.3290 12.8462 12.8462 13.3684 13.3684 k = 0.0000 0.0000 0.1305 ( 4326 PWs) bands (ev): -13.9154 -13.9154 -13.4533 -13.4533 -10.7488 -10.7488 -9.0314 -9.0314 -8.9265 -8.9265 -8.8448 -8.8448 -3.7123 -3.7123 -3.4610 -3.4610 -2.5937 -2.5937 -0.7181 -0.7181 -0.1419 -0.1419 -0.1036 -0.1036 0.5185 0.5185 1.2955 1.2955 1.3066 1.3066 2.0549 2.0549 2.4758 2.4758 3.2637 3.2637 3.4821 3.4821 3.5753 3.5753 3.7481 3.7481 4.3907 4.3907 4.7291 4.7291 5.4926 5.4926 10.8492 10.8492 12.0814 12.0814 12.2804 12.2804 12.8506 12.8506 13.4092 13.4092 k = 0.0000 0.0000 0.1142 ( 4330 PWs) bands (ev): -13.9203 -13.9203 -13.4499 -13.4499 -10.7587 -10.7587 -9.0363 -9.0363 -8.8978 -8.8978 -8.8467 -8.8467 -3.6976 -3.6976 -3.4339 -3.4339 -2.6471 -2.6471 -0.7080 -0.7080 -0.1248 -0.1248 -0.1107 -0.1107 0.4648 0.4648 1.2539 1.2539 1.3285 1.3285 2.0682 2.0682 2.4706 2.4706 3.2594 3.2594 3.4758 3.4758 3.6221 3.6221 3.7535 3.7535 4.3984 4.3984 4.7159 4.7159 5.4970 5.4970 10.8063 10.8063 12.0841 12.0841 12.2364 12.2364 12.8563 12.8563 13.4452 13.4452 k = 0.0000 0.0000 0.0979 ( 4330 PWs) bands (ev): -13.9245 -13.9245 -13.4470 -13.4470 -10.7672 -10.7672 -9.0405 -9.0405 -8.8724 -8.8724 -8.8484 -8.8484 -3.6845 -3.6845 -3.4095 -3.4095 -2.6939 -2.6939 -0.6982 -0.6982 -0.1174 -0.1174 -0.1074 -0.1074 0.4151 0.4151 1.2162 1.2162 1.3482 1.3482 2.0796 2.0796 2.4655 2.4655 3.2554 3.2554 3.4705 3.4705 3.6637 3.6637 3.7584 3.7584 4.4052 4.4052 4.7042 4.7042 5.5011 5.5011 10.7682 10.7682 12.0861 12.0861 12.1977 12.1977 12.8628 12.8628 13.4764 13.4764 k = 0.0000 0.0000 0.0816 ( 4334 PWs) bands (ev): -13.9282 -13.9282 -13.4446 -13.4446 -10.7744 -10.7744 -9.0442 -9.0442 -8.8517 -8.8517 -8.8487 -8.8487 -3.6733 -3.6733 -3.3882 -3.3882 -2.7340 -2.7340 -0.6890 -0.6890 -0.1226 -0.1226 -0.0909 -0.0909 0.3700 0.3700 1.1829 1.1829 1.3654 1.3654 2.0890 2.0890 2.4607 2.4607 3.2518 3.2518 3.4660 3.4660 3.6994 3.6994 3.7629 3.7629 4.4111 4.4111 4.6943 4.6943 5.5049 5.5049 10.7353 10.7353 12.0876 12.0876 12.1646 12.1646 12.8696 12.8696 13.5025 13.5025 k = 0.0000 0.0000 0.0652 ( 4330 PWs) bands (ev): -13.9311 -13.9311 -13.4425 -13.4425 -10.7803 -10.7803 -9.0472 -9.0472 -8.8514 -8.8514 -8.8320 -8.8320 -3.6640 -3.6640 -3.3702 -3.3702 -2.7671 -2.7671 -0.6809 -0.6809 -0.1270 -0.1270 -0.0750 -0.0750 0.3302 0.3302 1.1547 1.1547 1.3799 1.3799 2.0967 2.0967 2.4565 2.4565 3.2488 3.2488 3.4624 3.4624 3.7286 3.7286 3.7671 3.7671 4.4160 4.4160 4.6860 4.6860 5.5083 5.5083 10.7079 10.7079 12.0887 12.0887 12.1371 12.1371 12.8763 12.8763 13.5234 13.5234 k = 0.0000 0.0000 0.0489 ( 4330 PWs) bands (ev): -13.9335 -13.9335 -13.4410 -13.4410 -10.7848 -10.7848 -9.0495 -9.0495 -8.8523 -8.8523 -8.8177 -8.8177 -3.6566 -3.6566 -3.3560 -3.3560 -2.7930 -2.7930 -0.6742 -0.6742 -0.1304 -0.1304 -0.0606 -0.0606 0.2968 0.2968 1.1322 1.1322 1.3915 1.3915 2.1026 2.1026 2.4529 2.4529 3.2464 3.2464 3.4597 3.4597 3.7502 3.7502 3.7718 3.7718 4.4199 4.4199 4.6796 4.6796 5.5111 5.5111 10.6863 10.6863 12.0895 12.0895 12.1156 12.1156 12.8821 12.8821 13.5393 13.5393 k = 0.0000 0.0000 0.0326 ( 4334 PWs) bands (ev): -13.9351 -13.9351 -13.4398 -13.4398 -10.7881 -10.7881 -9.0512 -9.0512 -8.8531 -8.8531 -8.8074 -8.8074 -3.6514 -3.6514 -3.3456 -3.3456 -2.8116 -2.8116 -0.6692 -0.6692 -0.1329 -0.1329 -0.0486 -0.0486 0.2711 0.2711 1.1158 1.1158 1.3998 1.3998 2.1068 2.1068 2.4502 2.4502 3.2446 3.2446 3.4578 3.4578 3.7622 3.7622 3.7787 3.7787 4.4227 4.4227 4.6750 4.6750 5.5132 5.5132 10.6707 10.6707 12.0899 12.0899 12.1002 12.1002 12.8867 12.8867 13.5504 13.5504 k = 0.0000 0.0000 0.0163 ( 4326 PWs) bands (ev): -13.9361 -13.9361 -13.4392 -13.4392 -10.7901 -10.7901 -9.0522 -9.0522 -8.8535 -8.8535 -8.8011 -8.8011 -3.6482 -3.6482 -3.3393 -3.3393 -2.8229 -2.8229 -0.6661 -0.6661 -0.1344 -0.1344 -0.0404 -0.0404 0.2547 0.2547 1.1058 1.1058 1.4049 1.4049 2.1093 2.1093 2.4485 2.4485 3.2436 3.2436 3.4566 3.4566 3.7665 3.7665 3.7857 3.7857 4.4244 4.4244 4.6722 4.6722 5.5145 5.5145 10.6612 10.6612 12.0902 12.0902 12.0909 12.0909 12.8897 12.8897 13.5569 13.5569 k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.9365 -13.9365 -13.4389 -13.4389 -10.7907 -10.7907 -9.0526 -9.0526 -8.8536 -8.8536 -8.7991 -8.7991 -3.6471 -3.6471 -3.3372 -3.3372 -2.8266 -2.8266 -0.6650 -0.6650 -0.1349 -0.1349 -0.0375 -0.0375 0.2490 0.2490 1.1024 1.1024 1.4066 1.4066 2.1101 2.1101 2.4480 2.4480 3.2432 3.2432 3.4562 3.4562 3.7676 3.7676 3.7885 3.7885 4.4250 4.4250 4.6713 4.6713 5.5150 5.5150 10.6581 10.6581 12.0878 12.0878 12.0903 12.0903 12.8907 12.8907 13.5591 13.5591 k = 0.0000 0.0000 0.0000 ( 4323 PWs) bands (ev): -13.9365 -13.9365 -13.4389 -13.4389 -10.7907 -10.7907 -9.0526 -9.0526 -8.8536 -8.8536 -8.7991 -8.7991 -3.6471 -3.6471 -3.3372 -3.3372 -2.8266 -2.8266 -0.6650 -0.6650 -0.1349 -0.1349 -0.0375 -0.0375 0.2490 0.2490 1.1024 1.1024 1.4066 1.4066 2.1101 2.1101 2.4480 2.4480 3.2432 3.2432 3.4562 3.4562 3.7676 3.7676 3.7885 3.7885 4.4250 4.4250 4.6713 4.6713 5.5150 5.5150 10.6581 10.6581 12.0878 12.0878 12.0903 12.0903 12.8907 12.8907 13.5591 13.5591 k =-0.0139 0.0086 0.0000 ( 4321 PWs) bands (ev): -13.9360 -13.9360 -13.4390 -13.4389 -10.7921 -10.7921 -9.0524 -9.0524 -8.8546 -8.8539 -8.7988 -8.7979 -3.6448 -3.6446 -3.3393 -3.3390 -2.8237 -2.8235 -0.6661 -0.6658 -0.1332 -0.1332 -0.0394 -0.0392 0.2480 0.2480 1.1011 1.1012 1.4080 1.4080 2.1116 2.1117 2.4478 2.4479 3.2421 3.2424 3.4534 3.4536 3.7667 3.7667 3.7878 3.7878 4.4251 4.4253 4.6725 4.6726 5.5144 5.5144 10.6615 10.6615 12.0394 12.0403 12.1381 12.1383 12.8907 12.8908 13.5570 13.5574 k =-0.0278 0.0172 0.0000 ( 4327 PWs) bands (ev): -13.9346 -13.9346 -13.4391 -13.4390 -10.7962 -10.7962 -9.0520 -9.0519 -8.8567 -8.8554 -8.7971 -8.7955 -3.6378 -3.6374 -3.3451 -3.3447 -2.8148 -2.8145 -0.6691 -0.6684 -0.1282 -0.1281 -0.0446 -0.0443 0.2448 0.2448 1.0974 1.0977 1.4120 1.4121 2.1162 2.1163 2.4473 2.4476 3.2391 3.2397 3.4452 3.4455 3.7640 3.7641 3.7857 3.7857 4.4257 4.4261 4.6762 4.6765 5.5126 5.5126 10.6715 10.6716 11.9904 11.9917 12.1865 12.1872 12.8908 12.8909 13.5513 13.5521 k =-0.0417 0.0258 0.0000 ( 4329 PWs) bands (ev): -13.9323 -13.9323 -13.4392 -13.4391 -10.8031 -10.8030 -9.0513 -9.0510 -8.8596 -8.8579 -8.7943 -8.7921 -3.6261 -3.6254 -3.3543 -3.3536 -2.8006 -2.8000 -0.6738 -0.6728 -0.1199 -0.1198 -0.0533 -0.0529 0.2396 0.2396 1.0914 1.0917 1.4186 1.4188 2.1237 2.1239 2.4466 2.4470 3.2341 3.2349 3.4317 3.4322 3.7596 3.7597 3.7822 3.7822 4.4268 4.4273 4.6824 4.6827 5.5096 5.5096 10.6882 10.6883 11.9422 11.9440 12.2342 12.2354 12.8910 12.8911 13.5423 13.5435 k =-0.0556 0.0344 0.0000 ( 4327 PWs) bands (ev): -13.9291 -13.9291 -13.4394 -13.4392 -10.8126 -10.8125 -9.0502 -9.0499 -8.8631 -8.8610 -8.7906 -8.7879 -3.6097 -3.6088 -3.3662 -3.3654 -2.7814 -2.7807 -0.6802 -0.6790 -0.1085 -0.1082 -0.0654 -0.0647 0.2323 0.2323 1.0829 1.0834 1.4279 1.4282 2.1341 2.1344 2.4456 2.4462 3.2268 3.2279 3.4134 3.4141 3.7534 3.7536 3.7774 3.7774 4.4283 4.4290 4.6908 4.6912 5.5055 5.5055 10.7114 10.7115 11.8952 11.8975 12.2806 12.2823 12.8912 12.8914 13.5304 13.5319 k =-0.0694 0.0430 0.0000 ( 4327 PWs) bands (ev): -13.9250 -13.9249 -13.4396 -13.4394 -10.8246 -10.8246 -9.0489 -9.0486 -8.8668 -8.8646 -8.7864 -8.7834 -3.5887 -3.5876 -3.3803 -3.3792 -2.7581 -2.7572 -0.6883 -0.6867 -0.0940 -0.0936 -0.0805 -0.0798 0.2230 0.2230 1.0722 1.0727 1.4398 1.4401 2.1472 2.1477 2.4444 2.4451 3.2169 3.2184 3.3907 3.3916 3.7455 3.7457 3.7713 3.7713 4.4305 4.4313 4.7013 4.7017 5.5002 5.5003 10.7410 10.7411 11.8499 11.8527 12.3256 12.3277 12.8914 12.8917 13.5161 13.5178 k =-0.0833 0.0515 0.0000 ( 4333 PWs) bands (ev): -13.9199 -13.9199 -13.4398 -13.4396 -10.8392 -10.8391 -9.0474 -9.0470 -8.8706 -8.8683 -8.7819 -8.7786 -3.5631 -3.5618 -3.3957 -3.3945 -2.7313 -2.7302 -0.6977 -0.6959 -0.0991 -0.0979 -0.0762 -0.0760 0.2118 0.2118 1.0592 1.0598 1.4542 1.4545 2.1630 2.1635 2.4429 2.4438 3.2040 3.2059 3.3643 3.3655 3.7359 3.7362 3.7639 3.7640 4.4332 4.4341 4.7134 4.7138 5.4939 5.4940 10.7766 10.7767 11.8067 11.8098 12.3687 12.3712 12.8916 12.8919 13.4999 13.5017 k =-0.0972 0.0601 0.0000 ( 4333 PWs) bands (ev): -13.9141 -13.9140 -13.4401 -13.4399 -10.8560 -10.8559 -9.0457 -9.0452 -8.8744 -8.8720 -8.7772 -8.7737 -3.5331 -3.5316 -3.4121 -3.4108 -2.7016 -2.7002 -0.7085 -0.7064 -0.1203 -0.1190 -0.0559 -0.0556 0.1987 0.1988 1.0441 1.0448 1.4710 1.4713 2.1812 2.1817 2.4413 2.4423 3.1873 3.1896 3.3354 3.3369 3.7247 3.7250 3.7554 3.7556 4.4365 4.4375 4.7271 4.7275 5.4867 5.4867 10.8180 10.8182 11.7658 11.7694 12.4097 12.4126 12.8919 12.8922 13.4822 13.4841 k =-0.1111 0.0687 0.0000 ( 4331 PWs) bands (ev): -13.9074 -13.9073 -13.4404 -13.4402 -10.8750 -10.8748 -9.0438 -9.0433 -8.8780 -8.8756 -8.7725 -8.7688 -3.4988 -3.4971 -3.4290 -3.4274 -2.6694 -2.6678 -0.7205 -0.7181 -0.1442 -0.1427 -0.0328 -0.0325 0.1839 0.1840 1.0268 1.0276 1.4902 1.4905 2.2016 2.2022 2.4395 2.4406 3.1658 3.1685 3.3053 3.3070 3.7120 3.7122 3.7458 3.7460 4.4404 4.4414 4.7419 4.7423 5.4785 5.4785 10.8649 10.8651 11.7278 11.7317 12.4483 12.4515 12.8922 12.8925 13.4633 13.4654 k =-0.1250 0.0773 0.0000 ( 4335 PWs) bands (ev): -13.8999 -13.8998 -13.4408 -13.4405 -10.8960 -10.8958 -9.0418 -9.0412 -8.8815 -8.8790 -8.7679 -8.7641 -3.4602 -3.4583 -3.4458 -3.4442 -2.6353 -2.6335 -0.7335 -0.7309 -0.1707 -0.1689 -0.0072 -0.0069 0.1674 0.1675 1.0075 1.0083 1.5116 1.5119 2.2241 2.2247 2.4374 2.4387 3.1386 3.1415 3.2755 3.2773 3.6977 3.6980 3.7351 3.7354 4.4448 4.4458 4.7577 4.7580 5.4694 5.4695 10.9170 10.9173 11.6929 11.6971 12.4841 12.4876 12.8927 12.8930 13.4437 13.4458 k =-0.1389 0.0859 0.0000 ( 4327 PWs) bands (ev): -13.8916 -13.8915 -13.4411 -13.4409 -10.9188 -10.9187 -9.0397 -9.0391 -8.8846 -8.8821 -8.7634 -8.7595 -3.4625 -3.4607 -3.4175 -3.4154 -2.5995 -2.5974 -0.7476 -0.7447 -0.1994 -0.1973 0.0209 0.0213 0.1493 0.1495 0.9861 0.9870 1.5352 1.5355 2.2483 2.2490 2.4353 2.4367 3.1048 3.1078 3.2471 3.2489 3.6820 3.6823 3.7235 3.7238 4.4497 4.4506 4.7742 4.7743 5.4597 5.4598 10.9740 10.9743 11.6613 11.6659 12.5168 12.5205 12.8935 12.8938 13.4235 13.4256 k =-0.1528 0.0945 0.0000 ( 4326 PWs) bands (ev): -13.8826 -13.8825 -13.4415 -13.4413 -10.9433 -10.9431 -9.0375 -9.0369 -8.8874 -8.8849 -8.7592 -8.7552 -3.4786 -3.4768 -3.3709 -3.3686 -2.5624 -2.5601 -0.7625 -0.7593 -0.2302 -0.2278 0.0514 0.0517 0.1297 0.1300 0.9627 0.9637 1.5609 1.5611 2.2742 2.2749 2.4330 2.4346 3.0646 3.0675 3.2206 3.2221 3.6649 3.6652 3.7109 3.7113 4.4548 4.4558 4.7910 4.7911 5.4493 5.4494 11.0354 11.0357 11.6335 11.6383 12.5461 12.5499 12.8951 12.8953 13.4029 13.4050 k =-0.1667 0.1031 0.0000 ( 4338 PWs) bands (ev): -13.8729 -13.8728 -13.4420 -13.4417 -10.9692 -10.9691 -9.0354 -9.0347 -8.8899 -8.8874 -8.7553 -8.7512 -3.4941 -3.4921 -3.3205 -3.3180 -2.5243 -2.5217 -0.7782 -0.7748 -0.2628 -0.2601 0.0840 0.0843 0.1089 0.1092 0.9374 0.9383 1.5885 1.5887 2.3013 2.3022 2.4307 2.4324 3.0190 3.0217 3.1953 3.1965 3.6464 3.6468 3.6975 3.6979 4.4603 4.4611 4.8081 4.8081 5.4384 5.4385 11.1009 11.1012 11.6094 11.6145 12.5715 12.5753 12.8977 12.8978 13.3821 13.3842 k =-0.1806 0.1117 0.0000 ( 4338 PWs) bands (ev): -13.8626 -13.8625 -13.4424 -13.4421 -10.9964 -10.9963 -9.0332 -9.0325 -8.8919 -8.8894 -8.7517 -8.7475 -3.5087 -3.5067 -3.2665 -3.2638 -2.4853 -2.4825 -0.7947 -0.7910 -0.2969 -0.2938 0.0865 0.0868 0.1191 0.1193 0.9100 0.9110 1.6179 1.6181 2.3296 2.3305 2.4284 2.4302 2.9690 2.9715 3.1706 3.1714 3.6267 3.6271 3.6833 3.6838 4.4658 4.4667 4.8252 4.8253 5.4271 5.4272 11.1700 11.1705 11.5895 11.5947 12.5926 12.5963 12.9018 12.9019 13.3612 13.3632 k =-0.1944 0.1203 0.0000 ( 4334 PWs) bands (ev): -13.8517 -13.8516 -13.4429 -13.4426 -11.0246 -11.0245 -9.0311 -9.0304 -8.8936 -8.8911 -8.7485 -8.7442 -3.5224 -3.5204 -3.2090 -3.2062 -2.4457 -2.4426 -0.8119 -0.8080 -0.3322 -0.3289 0.0633 0.0637 0.1558 0.1561 0.8807 0.8817 1.6491 1.6491 2.3587 2.3596 2.4261 2.4280 2.9160 2.9183 3.1459 3.1463 3.6056 3.6061 3.6684 3.6690 4.4714 4.4722 4.8421 4.8423 5.4155 5.4156 11.2425 11.2430 11.5737 11.5791 12.6089 12.6124 12.9076 12.9079 13.3402 13.3421 k =-0.2083 0.1289 0.0000 ( 4326 PWs) bands (ev): -13.8403 -13.8402 -13.4434 -13.4431 -11.0537 -11.0536 -9.0291 -9.0283 -8.8948 -8.8923 -8.7457 -8.7414 -3.5352 -3.5331 -3.1483 -3.1452 -2.4056 -2.4023 -0.8298 -0.8256 -0.3686 -0.3649 0.0390 0.0395 0.1945 0.1948 0.8495 0.8505 1.6818 1.6818 2.3882 2.3892 2.4239 2.4260 2.8608 2.8630 3.1206 3.1207 3.5834 3.5839 3.6529 3.6535 4.4770 4.4777 4.8587 4.8590 5.4037 5.4038 11.3179 11.3184 11.5621 11.5677 12.6203 12.6236 12.9155 12.9160 13.3191 13.3209 k =-0.2222 0.1375 0.0000 ( 4326 PWs) bands (ev): -13.8285 -13.8284 -13.4439 -13.4436 -11.0834 -11.0833 -9.0271 -9.0264 -8.8956 -8.8931 -8.7433 -8.7389 -3.5468 -3.5447 -3.0845 -3.0812 -2.3653 -2.3617 -0.8484 -0.8439 -0.4057 -0.4016 0.0139 0.0145 0.2349 0.2352 0.8163 0.8174 1.7158 1.7160 2.4176 2.4177 2.4232 2.4245 2.8045 2.8065 3.0945 3.0947 3.5599 3.5605 3.6368 3.6375 4.4824 4.4830 4.8749 4.8753 5.3918 5.3919 11.3957 11.3963 11.5549 11.5606 12.6268 12.6297 12.9254 12.9262 13.2981 13.2998 k =-0.2361 0.1461 0.0000 ( 4314 PWs) bands (ev): -13.8162 -13.8161 -13.4444 -13.4441 -11.1135 -11.1134 -9.0252 -9.0245 -8.8960 -8.8935 -8.7413 -8.7369 -3.5574 -3.5553 -3.0178 -3.0144 -2.3249 -2.3211 -0.8676 -0.8629 -0.4433 -0.4389 -0.0119 -0.0112 0.2769 0.2772 0.7813 0.7824 1.7510 1.7514 2.4195 2.4221 2.4477 2.4491 2.7476 2.7495 3.0678 3.0683 3.5352 3.5359 3.6203 3.6210 4.4875 4.4881 4.8907 4.8911 5.3800 5.3801 11.4756 11.4762 11.5521 11.5579 12.6285 12.6312 12.9373 12.9382 13.2770 13.2786 k =-0.2500 0.1546 0.0000 ( 4320 PWs) bands (ev): -13.8037 -13.8036 -13.4449 -13.4446 -11.1438 -11.1437 -9.0235 -9.0228 -8.8959 -8.8934 -8.7398 -8.7354 -3.5670 -3.5648 -2.9485 -2.9449 -2.2846 -2.2805 -0.8876 -0.8827 -0.4811 -0.4763 -0.0383 -0.0374 0.3204 0.3206 0.7444 0.7456 1.7873 1.7878 2.4180 2.4208 2.4762 2.4777 2.6909 2.6929 3.0408 3.0415 3.5094 3.5101 3.6032 3.6040 4.4923 4.4928 4.9058 4.9063 5.3683 5.3684 11.5535 11.5572 11.5578 11.5594 12.6260 12.6283 12.9506 12.9517 13.2560 13.2574 k =-0.2639 0.1632 0.0000 ( 4316 PWs) bands (ev): -13.7910 -13.7909 -13.4454 -13.4451 -11.1741 -11.1740 -9.0219 -9.0211 -8.8955 -8.8929 -8.7388 -8.7344 -3.5754 -3.5733 -2.8768 -2.8730 -2.2444 -2.2402 -0.9083 -0.9032 -0.5188 -0.5137 -0.0650 -0.0641 0.3649 0.3652 0.7060 0.7072 1.8244 1.8251 2.4169 2.4199 2.5028 2.5047 2.6353 2.6374 3.0139 3.0149 3.4824 3.4832 3.5858 3.5865 4.4967 4.4972 4.9203 4.9209 5.3568 5.3569 11.5592 11.5650 11.6400 11.6408 12.6197 12.6217 12.9649 12.9661 13.2350 13.2363 k =-0.2778 0.1718 0.0000 ( 4314 PWs) bands (ev): -13.7781 -13.7780 -13.4459 -13.4456 -11.2042 -11.2041 -9.0203 -9.0196 -8.8946 -8.8920 -8.7382 -8.7338 -3.5828 -3.5807 -2.8029 -2.7989 -2.2047 -2.2002 -0.9299 -0.9245 -0.5562 -0.5508 -0.0921 -0.0910 0.4104 0.4106 0.6662 0.6675 1.8622 1.8631 2.4162 2.4195 2.5244 2.5272 2.5830 2.5859 2.9881 2.9894 3.4542 3.4551 3.5679 3.5687 4.5006 4.5010 4.9341 4.9347 5.3457 5.3458 11.5689 11.5747 11.7238 11.7246 12.6100 12.6118 12.9797 12.9809 13.2141 13.2153 k =-0.2917 0.1804 0.0000 ( 4308 PWs) bands (ev): -13.7652 -13.7651 -13.4464 -13.4461 -11.2338 -11.2337 -9.0190 -9.0183 -8.8933 -8.8907 -8.7380 -8.7337 -3.5892 -3.5872 -2.7270 -2.7228 -2.1656 -2.1609 -0.9525 -0.9468 -0.5931 -0.5873 -0.1191 -0.1180 0.4559 0.4561 0.6258 0.6271 1.9002 1.9013 2.4163 2.4198 2.5157 2.5174 2.5612 2.5628 2.9646 2.9661 3.4250 3.4260 3.5497 3.5505 4.5040 4.5044 4.9471 4.9477 5.3349 5.3351 11.5826 11.5884 11.8079 11.8088 12.5976 12.5991 12.9945 12.9957 13.1935 13.1946 k =-0.3056 0.1890 0.0000 ( 4314 PWs) bands (ev): -13.7524 -13.7523 -13.4469 -13.4466 -11.2628 -11.2627 -9.0177 -9.0171 -8.8916 -8.8891 -8.7383 -8.7341 -3.5946 -3.5926 -2.6494 -2.6450 -2.1272 -2.1223 -0.9762 -0.9702 -0.6291 -0.6230 -0.1461 -0.1449 0.4988 0.4991 0.5874 0.5887 1.9382 1.9396 2.4173 2.4210 2.4699 2.4700 2.5739 2.5741 2.9449 2.9466 3.3948 3.3958 3.5311 3.5320 4.5069 4.5073 4.9593 4.9600 5.3247 5.3248 11.6001 11.6058 11.8921 11.8930 12.5825 12.5838 13.0090 13.0101 13.1732 13.1741 k =-0.3194 0.1976 0.0000 ( 4310 PWs) bands (ev): -13.7397 -13.7397 -13.4474 -13.4471 -11.2909 -11.2908 -9.0166 -9.0160 -8.8896 -8.8871 -8.7390 -8.7348 -3.5992 -3.5973 -2.5704 -2.5658 -2.0897 -2.0847 -1.0011 -0.9949 -0.6640 -0.6577 -0.1728 -0.1715 0.5158 0.5168 0.5746 0.5752 1.9759 1.9775 2.4187 2.4210 2.4219 2.4239 2.5832 2.5838 2.9309 2.9328 3.3636 3.3647 3.5122 3.5131 4.5094 4.5097 4.9708 4.9715 5.3150 5.3151 11.6211 11.6267 11.9758 11.9768 12.5652 12.5663 13.0229 13.0239 13.1534 13.1542 k =-0.3333 0.2062 0.0000 ( 4308 PWs) bands (ev): -13.7274 -13.7273 -13.4478 -13.4475 -11.3180 -11.3179 -9.0156 -9.0150 -8.8873 -8.8848 -8.7401 -8.7360 -3.6029 -3.6011 -2.4903 -2.4855 -2.0534 -2.0483 -1.0275 -1.0211 -0.6975 -0.6911 -0.1990 -0.1976 0.4833 0.4847 0.6108 0.6110 2.0126 2.0145 2.3743 2.3747 2.4230 2.4273 2.5851 2.5859 2.9245 2.9264 3.3315 3.3327 3.4929 3.4938 4.5113 4.5116 4.9814 4.9821 5.3058 5.3059 11.6453 11.6508 12.0586 12.0597 12.5458 12.5467 13.0359 13.0367 13.1342 13.1350 k =-0.3472 0.2148 0.0000 ( 4310 PWs) bands (ev): -13.7155 -13.7154 -13.4482 -13.4480 -11.3438 -11.3437 -9.0147 -9.0141 -8.8847 -8.8822 -8.7415 -8.7375 -3.6058 -3.6041 -2.4093 -2.4042 -2.0185 -2.0133 -1.0556 -1.0490 -0.7295 -0.7229 -0.2244 -0.2230 0.4413 0.4427 0.6563 0.6565 2.0479 2.0501 2.3301 2.3304 2.4284 2.4330 2.5787 2.5795 2.9263 2.9282 3.2986 3.3000 3.4732 3.4741 4.5128 4.5131 4.9912 4.9919 5.2973 5.2974 11.6726 11.6779 12.1400 12.1411 12.5244 12.5250 13.0480 13.0485 13.1161 13.1169 k =-0.3611 0.2234 0.0000 ( 4310 PWs) bands (ev): -13.7040 -13.7040 -13.4486 -13.4484 -11.3681 -11.3681 -9.0139 -9.0134 -8.8819 -8.8795 -8.7432 -8.7394 -3.6081 -3.6065 -2.3277 -2.3225 -1.9852 -1.9800 -1.0857 -1.0788 -0.7597 -0.7531 -0.2488 -0.2474 0.3982 0.3996 0.7027 0.7029 2.0812 2.0837 2.2885 2.2888 2.4360 2.4408 2.5648 2.5654 2.9358 2.9376 3.2652 3.2666 3.4531 3.4540 4.5139 4.5142 5.0002 5.0008 5.2894 5.2895 11.7024 11.7075 12.2194 12.2206 12.5011 12.5016 13.0586 13.0587 13.0995 13.1005 k =-0.3750 0.2320 0.0000 ( 4326 PWs) bands (ev): -13.6932 -13.6932 -13.4490 -13.4488 -11.3908 -11.3908 -9.0132 -9.0128 -8.8789 -8.8766 -8.7452 -8.7415 -3.6098 -3.6084 -2.2459 -2.2405 -1.9537 -1.9486 -1.1180 -1.1110 -0.7878 -0.7813 -0.2721 -0.2706 0.3558 0.3572 0.7485 0.7486 2.1118 2.1145 2.2498 2.2501 2.4462 2.4512 2.5451 2.5456 2.9514 2.9531 3.2314 3.2328 3.4326 3.4335 4.5147 4.5149 5.0083 5.0089 5.2822 5.2823 11.7345 11.7394 12.2962 12.2974 12.4761 12.4764 13.0654 13.0661 13.0863 13.0879 k =-0.3889 0.2406 0.0000 ( 4322 PWs) bands (ev): -13.6832 -13.6831 -13.4494 -13.4491 -11.4116 -11.4116 -9.0126 -9.0122 -8.8758 -8.8736 -8.7473 -8.7438 -3.6111 -3.6097 -2.1642 -2.1586 -1.9243 -1.9194 -1.1529 -1.1457 -0.8137 -0.8073 -0.2939 -0.2924 0.3150 0.3164 0.7928 0.7929 2.1390 2.1419 2.2142 2.2144 2.4594 2.4645 2.5220 2.5223 2.9714 2.9729 3.1974 3.1990 3.4118 3.4127 4.5151 4.5153 5.0156 5.0162 5.2758 5.2759 11.7685 11.7731 12.3695 12.3708 12.4496 12.4496 13.0622 13.0632 13.0842 13.0859 k =-0.4028 0.2492 0.0000 ( 4318 PWs) bands (ev): -13.6740 -13.6740 -13.4497 -13.4495 -11.4305 -11.4305 -9.0121 -9.0118 -8.8727 -8.8706 -8.7495 -8.7463 -3.6119 -3.6107 -2.0831 -2.0772 -1.8973 -1.8927 -1.1907 -1.1833 -0.8370 -0.8310 -0.3139 -0.3126 0.2766 0.2779 0.8349 0.8351 2.1624 2.1654 2.1818 2.1821 2.4754 2.4806 2.4974 2.4977 2.9942 2.9955 3.1637 3.1654 3.3907 3.3916 4.5153 4.5154 5.0221 5.0226 5.2701 5.2701 11.8037 11.8081 12.4213 12.4214 12.4390 12.4400 13.0525 13.0532 13.0902 13.0913 k =-0.4167 0.2577 0.0000 ( 4314 PWs) bands (ev): -13.6658 -13.6658 -13.4499 -13.4497 -11.4472 -11.4472 -9.0117 -9.0114 -8.8697 -8.8677 -8.7517 -8.7487 -3.6124 -3.6114 -2.0028 -1.9967 -1.8730 -1.8687 -1.2317 -1.2242 -0.8577 -0.8521 -0.3320 -0.3307 0.2414 0.2426 0.8741 0.8743 2.1526 2.1526 2.1822 2.1847 2.4727 2.4729 2.4947 2.4993 3.0184 3.0197 3.1309 3.1325 3.3695 3.3704 4.5153 4.5154 5.0277 5.0281 5.2651 5.2651 11.8397 11.8437 12.3922 12.3926 12.5025 12.5037 13.0434 13.0440 13.0967 13.0974 k =-0.4306 0.2663 0.0000 ( 4306 PWs) bands (ev): -13.6587 -13.6587 -13.4501 -13.4500 -11.4616 -11.4616 -9.0113 -9.0111 -8.8668 -8.8651 -8.7537 -8.7512 -3.6126 -3.6118 -1.9239 -1.9176 -1.8517 -1.8479 -1.2760 -1.2685 -0.8754 -0.8704 -0.3478 -0.3466 0.2101 0.2112 0.9095 0.9096 2.1270 2.1270 2.1977 2.2000 2.4499 2.4501 2.5153 2.5196 3.0431 3.0443 3.0995 3.1011 3.3483 3.3492 4.5152 4.5153 5.0324 5.0328 5.2609 5.2609 11.8757 11.8793 12.3625 12.3631 12.5598 12.5609 13.0365 13.0370 13.1024 13.1030 k =-0.4444 0.2749 0.0000 ( 4324 PWs) bands (ev): -13.6528 -13.6527 -13.4503 -13.4502 -11.4735 -11.4735 -9.0111 -9.0108 -8.8642 -8.8627 -8.7556 -8.7534 -3.6127 -3.6120 -1.8467 -1.8403 -1.8336 -1.8304 -1.3239 -1.3164 -0.8901 -0.8859 -0.3610 -0.3601 0.1835 0.1845 0.9403 0.9403 2.1052 2.1052 2.2096 2.2116 2.4297 2.4299 2.5366 2.5403 3.0664 3.0679 3.0711 3.0730 3.3275 3.3284 4.5150 4.5151 5.0363 5.0366 5.2574 5.2574 11.9106 11.9138 12.3330 12.3338 12.6090 12.6101 13.0323 13.0327 13.1072 13.1076 k =-0.4583 0.2835 0.0000 ( 4316 PWs) bands (ev): -13.6480 -13.6480 -13.4505 -13.4504 -11.4830 -11.4829 -9.0108 -9.0107 -8.8620 -8.8608 -8.7571 -8.7554 -3.6127 -3.6122 -1.8192 -1.8167 -1.7719 -1.7653 -1.3753 -1.3678 -0.9015 -0.8982 -0.3716 -0.3708 0.1622 0.1629 0.9654 0.9655 2.0876 2.0877 2.2184 2.2199 2.4131 2.4133 2.5567 2.5597 3.0452 3.0464 3.0903 3.0911 3.3079 3.3086 4.5149 4.5149 5.0394 5.0396 5.2547 5.2547 11.9429 11.9456 12.3053 12.3061 12.6489 12.6498 13.0306 13.0309 13.1110 13.1112 k =-0.4722 0.2921 0.0000 ( 4320 PWs) bands (ev): -13.6446 -13.6446 -13.4506 -13.4505 -11.4897 -11.4897 -9.0107 -9.0106 -8.8602 -8.8594 -8.7582 -8.7570 -3.6127 -3.6123 -1.8085 -1.8068 -1.7003 -1.6936 -1.4298 -1.4225 -0.9096 -0.9074 -0.3792 -0.3787 0.1466 0.1471 0.9841 0.9842 2.0747 2.0747 2.2244 2.2254 2.4008 2.4009 2.5736 2.5758 3.0253 3.0263 3.1099 3.1106 3.2907 3.2913 4.5147 4.5147 5.0415 5.0417 5.2528 5.2528 11.9705 11.9725 12.2813 12.2821 12.6782 12.6788 13.0308 13.0311 13.1137 13.1139 k =-0.4861 0.3007 0.0000 ( 4318 PWs) bands (ev): -13.6425 -13.6425 -13.4506 -13.4506 -11.4938 -11.4938 -9.0106 -9.0105 -8.8590 -8.8586 -8.7588 -8.7582 -3.6126 -3.6124 -1.8019 -1.8010 -1.6339 -1.6277 -1.4852 -1.4786 -0.9143 -0.9131 -0.3838 -0.3836 0.1371 0.1374 0.9957 0.9957 2.0667 2.0667 2.2279 2.2284 2.3933 2.3933 2.5852 2.5863 3.0125 3.0130 3.1240 3.1244 3.2783 3.2787 4.5146 4.5146 5.0429 5.0429 5.2516 5.2516 11.9899 11.9910 12.2645 12.2649 12.6961 12.6964 13.0318 13.0319 13.1154 13.1154 k =-0.5000 0.3093 0.0000 ( 4326 PWs) bands (ev): -13.6418 -13.6418 -13.4506 -13.4506 -11.4952 -11.4952 -9.0105 -9.0105 -8.8585 -8.8585 -8.7588 -8.7588 -3.6125 -3.6125 -1.7993 -1.7993 -1.5902 -1.5902 -1.5190 -1.5190 -0.9154 -0.9154 -0.3853 -0.3853 0.1340 0.1340 0.9996 0.9996 2.0640 2.0640 2.2292 2.2292 2.3907 2.3907 2.5896 2.5896 3.0082 3.0082 3.1294 3.1294 3.2738 3.2738 4.5146 4.5146 5.0433 5.0433 5.2512 5.2512 11.9973 11.9973 12.2584 12.2584 12.7022 12.7022 13.0323 13.0323 13.1159 13.1159 k =-0.5000 0.3093 0.0000 ( 4326 PWs) bands (ev): -13.6418 -13.6418 -13.4506 -13.4506 -11.4952 -11.4952 -9.0105 -9.0105 -8.8585 -8.8585 -8.7588 -8.7588 -3.6125 -3.6125 -1.7993 -1.7993 -1.5902 -1.5902 -1.5190 -1.5190 -0.9154 -0.9154 -0.3853 -0.3853 0.1340 0.1340 0.9996 0.9996 2.0640 2.0640 2.2292 2.2292 2.3907 2.3907 2.5896 2.5896 3.0082 3.0082 3.1294 3.1294 3.2738 3.2738 4.5146 4.5146 5.0433 5.0433 5.2512 5.2512 11.9973 11.9973 12.2584 12.2584 12.7022 12.7022 13.0323 13.0323 13.1159 13.1159 k =-0.4914 0.3232-0.0000 ( 4326 PWs) bands (ev): -13.6419 -13.6419 -13.4507 -13.4507 -11.4943 -11.4943 -9.0186 -9.0171 -8.8581 -8.8578 -8.7540 -8.7520 -3.6122 -3.6121 -1.8037 -1.8032 -1.5820 -1.5817 -1.5195 -1.5195 -0.9165 -0.9163 -0.3950 -0.3922 0.1398 0.1429 0.9991 0.9994 2.0620 2.0632 2.2278 2.2320 2.3912 2.3944 2.5875 2.5884 3.0092 3.0094 3.1275 3.1284 3.2737 3.2738 4.5154 4.5158 5.0400 5.0408 5.2499 5.2507 11.9985 11.9987 12.2593 12.2594 12.7060 12.7068 13.0018 13.0154 13.1358 13.1496 k =-0.4829 0.3370-0.0000 ( 4326 PWs) bands (ev): -13.6423 -13.6423 -13.4509 -13.4509 -11.4914 -11.4914 -9.0395 -9.0367 -8.8565 -8.8559 -8.7392 -8.7356 -3.6114 -3.6112 -1.8146 -1.8136 -1.5591 -1.5584 -1.5212 -1.5212 -0.9194 -0.9189 -0.4197 -0.4145 0.1593 0.1649 0.9978 0.9985 2.0574 2.0597 2.2277 2.2355 2.3960 2.4020 2.5822 2.5838 3.0123 3.0128 3.1227 3.1246 3.2734 3.2736 4.5183 4.5191 5.0310 5.0324 5.2467 5.2482 12.0022 12.0025 12.2620 12.2621 12.7181 12.7196 12.9589 12.9748 13.1852 13.2015 k =-0.4743 0.3509-0.0000 ( 4320 PWs) bands (ev): -13.6429 -13.6428 -13.4511 -13.4511 -11.4866 -11.4866 -9.0693 -9.0660 -8.8539 -8.8530 -8.7179 -8.7133 -3.6099 -3.6097 -1.8283 -1.8269 -1.5281 -1.5271 -1.5210 -1.5209 -0.9242 -0.9235 -0.4563 -0.4494 0.1893 0.1969 0.9958 0.9969 2.0509 2.0539 2.2287 2.2392 2.4051 2.4133 2.5734 2.5759 3.0176 3.0183 3.1151 3.1180 3.2731 3.2734 4.5232 4.5244 5.0165 5.0185 5.2416 5.2437 12.0084 12.0088 12.2665 12.2667 12.7385 12.7406 12.9162 12.9326 13.2425 13.2593 k =-0.4657 0.3647-0.0000 ( 4316 PWs) bands (ev): -13.6437 -13.6437 -13.4515 -13.4515 -11.4799 -11.4799 -9.1052 -9.1015 -8.8501 -8.8489 -8.6934 -8.6880 -3.6080 -3.6077 -1.8417 -1.8399 -1.5290 -1.5289 -1.4820 -1.4807 -0.9307 -0.9297 -0.5015 -0.4934 0.2266 0.2357 0.9930 0.9945 2.0433 2.0465 2.2304 2.2424 2.4183 2.4279 2.5613 2.5646 3.0249 3.0259 3.1048 3.1086 3.2727 3.2731 4.5301 4.5317 4.9969 4.9994 5.2346 5.2372 12.0170 12.0173 12.2728 12.2730 12.7668 12.7693 12.8760 12.8924 13.3037 13.3205 k =-0.4571 0.3786-0.0000 ( 4314 PWs) bands (ev): -13.6447 -13.6447 -13.4520 -13.4520 -11.4713 -11.4713 -9.1451 -9.1412 -8.8453 -8.8438 -8.6678 -8.6618 -3.6055 -3.6052 -1.8532 -1.8510 -1.5343 -1.5341 -1.4337 -1.4320 -0.9389 -0.9377 -0.5526 -0.5438 0.2685 0.2785 0.9894 0.9911 2.0350 2.0383 2.2325 2.2450 2.4353 2.4456 2.5459 2.5499 3.0344 3.0357 3.0919 3.0965 3.2722 3.2727 4.5390 4.5410 4.9725 4.9754 5.2255 5.2285 12.0279 12.0280 12.2808 12.2810 12.8028 12.8046 12.8390 12.8563 13.3679 13.3846 k =-0.4486 0.3925-0.0000 ( 4312 PWs) bands (ev): -13.6461 -13.6460 -13.4526 -13.4526 -11.4608 -11.4608 -9.1877 -9.1838 -8.8394 -8.8376 -8.6422 -8.6358 -3.6026 -3.6022 -1.8618 -1.8592 -1.5408 -1.5407 -1.3802 -1.3781 -0.9488 -0.9473 -0.6079 -0.5986 0.3131 0.3238 0.9847 0.9868 2.0268 2.0299 2.2345 2.2468 2.4555 2.4659 2.5269 2.5318 3.0460 3.0477 3.0764 3.0820 3.2717 3.2724 4.5498 4.5521 4.9438 4.9470 5.2143 5.2176 12.0404 12.0407 12.2905 12.2907 12.8057 12.8167 12.8462 12.8541 13.4345 13.4510 k =-0.4400 0.4063-0.0000 ( 4316 PWs) bands (ev): -13.6476 -13.6476 -13.4533 -13.4533 -11.4484 -11.4484 -9.2323 -9.2285 -8.8324 -8.8304 -8.6174 -8.6107 -3.5992 -3.5987 -1.8667 -1.8638 -1.5486 -1.5484 -1.3224 -1.3199 -0.9601 -0.9584 -0.6659 -0.6563 0.3589 0.3701 0.9790 0.9814 2.0190 2.0219 2.2363 2.2479 2.4782 2.4883 2.5045 2.5102 3.0584 3.0600 3.0615 3.0655 3.2713 3.2722 4.5624 4.5652 4.9113 4.9147 5.2010 5.2046 12.0544 12.0553 12.3017 12.3020 12.7766 12.7889 12.8964 12.9026 13.5033 13.5192 k =-0.4314 0.4202-0.0000 ( 4320 PWs) bands (ev): -13.6495 -13.6494 -13.4540 -13.4540 -11.4341 -11.4341 -9.2783 -9.2747 -8.8244 -8.8221 -8.5940 -8.5870 -3.5954 -3.5949 -1.8679 -1.8646 -1.5575 -1.5573 -1.2609 -1.2579 -0.9729 -0.9709 -0.7256 -0.7159 0.4052 0.4167 0.9721 0.9749 2.0121 2.0147 2.2380 2.2485 2.4785 2.4841 2.5040 2.5126 3.0387 3.0460 3.0755 3.0783 3.2711 3.2722 4.5768 4.5799 4.8753 4.8788 5.1858 5.1895 12.0695 12.0711 12.3145 12.3148 12.7520 12.7636 12.9530 12.9592 13.5139 13.5159 k =-0.4228 0.4340-0.0000 ( 4330 PWs) bands (ev): -13.6516 -13.6516 -13.4548 -13.4547 -11.4180 -11.4179 -9.3254 -9.3219 -8.8154 -8.8128 -8.5723 -8.5651 -3.5914 -3.5908 -1.8651 -1.8615 -1.5675 -1.5673 -1.1962 -1.1928 -0.9868 -0.9846 -0.7864 -0.7766 0.4512 0.4631 0.9639 0.9669 2.0063 2.0085 2.2394 2.2487 2.4489 2.4556 2.5301 2.5382 3.0169 3.0250 3.0932 3.0967 3.2711 3.2726 4.5930 4.5964 4.8364 4.8400 5.1688 5.1725 12.0851 12.0877 12.3287 12.3291 12.7324 12.7429 13.0155 13.0219 13.4906 13.4930 k =-0.4143 0.4479-0.0000 ( 4330 PWs) bands (ev): -13.6541 -13.6540 -13.4555 -13.4555 -11.4000 -11.3999 -9.3733 -9.3699 -8.8054 -8.8025 -8.5524 -8.5450 -3.5872 -3.5865 -1.8582 -1.8544 -1.5787 -1.5785 -1.1290 -1.1250 -1.0019 -0.9993 -0.8471 -0.8376 0.4967 0.5087 0.9543 0.9576 2.0019 2.0038 2.2407 2.2488 2.4158 2.4231 2.5576 2.5647 2.9934 3.0022 3.1128 3.1173 3.2714 3.2735 4.6107 4.6144 4.7949 4.7985 5.1500 5.1538 12.1007 12.1044 12.3442 12.3446 12.7185 12.7275 13.0834 13.0899 13.4561 13.4589 k =-0.4057 0.4618-0.0000 ( 4324 PWs) bands (ev): -13.6568 -13.6568 -13.4563 -13.4563 -11.3801 -11.3800 -9.4218 -9.4185 -8.7944 -8.7913 -8.5346 -8.5269 -3.5828 -3.5821 -1.8475 -1.8433 -1.5911 -1.5907 -1.0613 -1.0563 -1.0178 -1.0149 -0.9058 -0.8969 0.5412 0.5534 0.9431 0.9466 1.9990 2.0006 2.2419 2.2487 2.3790 2.3868 2.5858 2.5918 2.9684 2.9779 3.1341 3.1399 3.2724 3.2753 4.6299 4.6340 4.7513 4.7549 5.1297 5.1335 12.1155 12.1206 12.3609 12.3614 12.7107 12.7181 13.1560 13.1627 13.4129 13.4157 k =-0.3971 0.4756-0.0000 ( 4310 PWs) bands (ev): -13.6599 -13.6599 -13.4571 -13.4571 -11.3583 -11.3582 -9.4706 -9.4675 -8.7826 -8.7792 -8.5188 -8.5110 -3.5784 -3.5777 -1.8329 -1.8285 -1.6045 -1.6041 -1.0346 -1.0313 -1.0115 -1.0026 -0.9438 -0.9384 0.5846 0.5969 0.9302 0.9339 1.9979 1.9992 2.2431 2.2487 2.3386 2.3469 2.6141 2.6190 2.9422 2.9524 3.1568 3.1642 3.2744 3.2783 4.6505 4.6549 4.7059 4.7095 5.1080 5.1118 12.1287 12.1353 12.3786 12.3791 12.7099 12.7155 13.2329 13.2397 13.3635 13.3664 k =-0.3885 0.4895-0.0000 ( 4320 PWs) bands (ev): -13.6634 -13.6633 -13.4579 -13.4579 -11.3347 -11.3346 -9.5195 -9.5166 -8.7699 -8.7662 -8.5051 -8.4971 -3.5741 -3.5733 -1.8149 -1.8103 -1.6191 -1.6187 -1.0525 -1.0482 -1.0445 -1.0345 -0.8953 -0.8915 0.6268 0.6391 0.9155 0.9194 1.9986 1.9997 2.2444 2.2487 2.2946 2.3033 2.6423 2.6460 2.9150 2.9258 3.1801 3.1898 3.2778 3.2835 4.6592 4.6623 4.6729 4.6772 5.0851 5.0889 12.1399 12.1481 12.3972 12.3977 12.7163 12.7200 13.3097 13.3109 13.3155 13.3209 k =-0.3800 0.5034-0.0000 ( 4320 PWs) bands (ev): -13.6671 -13.6670 -13.4586 -13.4586 -11.3093 -11.3092 -9.5685 -9.5657 -8.7564 -8.7524 -8.4935 -8.4854 -3.5700 -3.5691 -1.7938 -1.7890 -1.6347 -1.6343 -1.1021 -1.0912 -1.0689 -1.0654 -0.8209 -0.8165 0.6677 0.6801 0.8989 0.9030 2.0014 2.0022 2.2439 2.2489 2.2490 2.2561 2.6700 2.6724 2.8871 2.8983 3.2029 3.2156 3.2841 3.2921 4.6115 4.6148 4.6957 4.7005 5.0614 5.0650 12.1486 12.1582 12.4164 12.4170 12.7304 12.7323 13.2542 13.2569 13.3971 13.4042 k =-0.3714 0.5172-0.0000 ( 4314 PWs) bands (ev): -13.6712 -13.6712 -13.4593 -13.4592 -11.2821 -11.2820 -9.6174 -9.6147 -8.7421 -8.7378 -8.4840 -8.4759 -3.5661 -3.5653 -1.7703 -1.7654 -1.6515 -1.6510 -1.1592 -1.1485 -1.0865 -1.0826 -0.7422 -0.7373 0.7073 0.7197 0.8804 0.8846 2.0063 2.0069 2.1958 2.2053 2.2477 2.2497 2.6968 2.6980 2.8585 2.8702 3.2232 3.2388 3.2959 3.3061 4.5630 4.5662 4.7199 4.7250 5.0368 5.0403 12.1547 12.1656 12.4360 12.4366 12.7520 12.7522 13.1965 13.1991 13.4832 13.4905 k =-0.3628 0.5311-0.0000 ( 4312 PWs) bands (ev): -13.6757 -13.6756 -13.4598 -13.4598 -11.2531 -11.2530 -9.6661 -9.6635 -8.7271 -8.7226 -8.4766 -8.4684 -3.5627 -3.5618 -1.7454 -1.7405 -1.6694 -1.6689 -1.2143 -1.2036 -1.1040 -1.0997 -0.6611 -0.6558 0.7457 0.7581 0.8598 0.8641 2.0134 2.0138 2.1416 2.1513 2.2496 2.2506 2.7224 2.7224 2.8295 2.8416 3.2395 3.2560 3.3169 3.3272 4.5141 4.5172 4.7451 4.7504 5.0116 5.0151 12.1581 12.1701 12.4558 12.4564 12.7797 12.7810 13.1375 13.1399 13.5714 13.5788 k =-0.3542 0.5449-0.0000 ( 4314 PWs) bands (ev): -13.6806 -13.6805 -13.4603 -13.4603 -11.2224 -11.2222 -9.7143 -9.7119 -8.7115 -8.7067 -8.4713 -8.4630 -3.5599 -3.5590 -1.7209 -1.7159 -1.6885 -1.6879 -1.2652 -1.2544 -1.1210 -1.1164 -0.5785 -0.5728 0.7827 0.7951 0.8372 0.8416 2.0227 2.0231 2.0842 2.0940 2.2519 2.2520 2.7454 2.7466 2.8003 2.8126 3.2521 3.2676 3.3466 3.3551 4.4651 4.4680 4.7710 4.7765 4.9861 4.9894 12.1594 12.1722 12.4753 12.4759 12.8142 12.8167 13.0776 13.0798 13.6609 13.6685 k =-0.3457 0.5588-0.0000 ( 4320 PWs) bands (ev): -13.6858 -13.6857 -13.4608 -13.4607 -11.1899 -11.1896 -9.7622 -9.7599 -8.6953 -8.6902 -8.4679 -8.4596 -3.5578 -3.5568 -1.7091 -1.7081 -1.6990 -1.6945 -1.3091 -1.2982 -1.1373 -1.1324 -0.4947 -0.4886 0.8121 0.8154 0.8203 0.8315 2.0238 2.0320 2.0348 2.0361 2.2539 2.2546 2.7667 2.7683 2.7718 2.7835 3.2627 3.2768 3.3818 3.3883 4.4161 4.4189 4.7977 4.8034 4.9603 4.9635 12.1588 12.1722 12.4943 12.4947 12.8550 12.8585 13.0175 13.0193 13.7222 13.7223 k =-0.3457 0.5588-0.0000 ( 4320 PWs) bands (ev): -13.6858 -13.6857 -13.4608 -13.4607 -11.1899 -11.1896 -9.7622 -9.7599 -8.6953 -8.6902 -8.4679 -8.4596 -3.5578 -3.5568 -1.7091 -1.7081 -1.6990 -1.6945 -1.3091 -1.2982 -1.1373 -1.1324 -0.4947 -0.4886 0.8121 0.8154 0.8203 0.8315 2.0238 2.0320 2.0348 2.0361 2.2539 2.2546 2.7667 2.7683 2.7718 2.7835 3.2627 3.2768 3.3818 3.3883 4.4161 4.4189 4.7977 4.8034 4.9603 4.9635 12.1588 12.1722 12.4943 12.4947 12.8550 12.8585 13.0175 13.0193 13.7222 13.7223 k =-0.3457 0.5588 0.0163 ( 4320 PWs) bands (ev): -13.6856 -13.6855 -13.4609 -13.4608 -11.1889 -11.1887 -9.7616 -9.7594 -8.6976 -8.6926 -8.4688 -8.4605 -3.5554 -3.5544 -1.7106 -1.7086 -1.7070 -1.7035 -1.2976 -1.2867 -1.1356 -1.1308 -0.4983 -0.4922 0.8127 0.8162 0.8216 0.8329 2.0217 2.0300 2.0330 2.0342 2.2553 2.2560 2.7686 2.7689 2.7722 2.7827 3.2616 3.2755 3.3839 3.3902 4.4158 4.4186 4.7973 4.8030 4.9597 4.9629 12.1563 12.1696 12.4929 12.4933 12.8562 12.8596 13.0138 13.0157 13.7210 13.7210 k =-0.3457 0.5588 0.0326 ( 4321 PWs) bands (ev): -13.6852 -13.6850 -13.4611 -13.4611 -11.1860 -11.1858 -9.7599 -9.7577 -8.7048 -8.6998 -8.4716 -8.4633 -3.5483 -3.5474 -1.7328 -1.7276 -1.7106 -1.7100 -1.2656 -1.2549 -1.1306 -1.1258 -0.5089 -0.5030 0.8147 0.8186 0.8257 0.8372 2.0155 2.0240 2.0278 2.0285 2.2592 2.2599 2.7675 2.7741 2.7769 2.7802 3.2584 3.2717 3.3899 3.3956 4.4150 4.4178 4.7961 4.8017 4.9578 4.9610 12.1489 12.1621 12.4888 12.4893 12.8597 12.8628 13.0029 13.0047 13.7174 13.7174 k =-0.3457 0.5588 0.0489 ( 4323 PWs) bands (ev): -13.6844 -13.6843 -13.4616 -13.4616 -11.1812 -11.1809 -9.7571 -9.7548 -8.7166 -8.7116 -8.4762 -8.4680 -3.5366 -3.5357 -1.7667 -1.7615 -1.7131 -1.7124 -1.2189 -1.2084 -1.1223 -1.1175 -0.5264 -0.5207 0.8180 0.8222 0.8326 0.8441 2.0052 2.0139 2.0196 2.0198 2.2655 2.2662 2.7638 2.7757 2.7835 2.7859 3.2537 3.2662 3.3990 3.4040 4.4137 4.4164 4.7940 4.7996 4.9548 4.9579 12.1371 12.1502 12.4822 12.4826 12.8654 12.8679 12.9847 12.9865 13.7120 13.7121 k =-0.3457 0.5588 0.0652 ( 4322 PWs) bands (ev): -13.6833 -13.6832 -13.4623 -13.4623 -11.1744 -11.1742 -9.7531 -9.7509 -8.7329 -8.7280 -8.4827 -8.4746 -3.5203 -3.5195 -1.8055 -1.8002 -1.7166 -1.7159 -1.1623 -1.1519 -1.1105 -1.1058 -0.5502 -0.5449 0.8225 0.8269 0.8420 0.8531 1.9911 1.9996 2.0088 2.0090 2.2735 2.2743 2.7582 2.7696 2.7959 2.7984 3.2480 3.2598 3.4106 3.4149 4.4119 4.4145 4.7911 4.7966 4.9504 4.9535 12.1219 12.1348 12.4730 12.4735 12.8731 12.8748 12.9594 12.9612 13.7056 13.7058 k =-0.3457 0.5588 0.0816 ( 4325 PWs) bands (ev): -13.6818 -13.6817 -13.4631 -13.4631 -11.1657 -11.1655 -9.7480 -9.7458 -8.7537 -8.7489 -8.4910 -8.4829 -3.4998 -3.4990 -1.8462 -1.8409 -1.7210 -1.7203 -1.1007 -1.0936 -1.0909 -1.0885 -0.5799 -0.5749 0.8284 0.8329 0.8531 0.8639 1.9731 1.9812 1.9962 1.9966 2.2828 2.2837 2.7509 2.7616 2.8114 2.8140 3.2419 3.2530 3.4239 3.4277 4.4096 4.4122 4.7872 4.7928 4.9448 4.9479 12.1044 12.1171 12.4615 12.4620 12.8825 12.8834 12.9275 12.9294 13.6988 13.6991 k =-0.3457 0.5588 0.0979 ( 4333 PWs) bands (ev): -13.6801 -13.6800 -13.4642 -13.4641 -11.1551 -11.1549 -9.7418 -9.7396 -8.7787 -8.7740 -8.5010 -8.4931 -3.4751 -3.4745 -1.8868 -1.8816 -1.7265 -1.7258 -1.0773 -1.0724 -1.0304 -1.0205 -0.6147 -0.6101 0.8356 0.8402 0.8656 0.8757 1.9516 1.9591 1.9826 1.9832 2.2932 2.2942 2.7415 2.7515 2.8297 2.8324 3.2357 3.2462 3.4387 3.4420 4.4069 4.4094 4.7824 4.7879 4.9380 4.9410 12.0855 12.0980 12.4476 12.4482 12.8885 12.8898 12.8950 12.8957 13.6921 13.6925 k =-0.3457 0.5588 0.1142 ( 4328 PWs) bands (ev): -13.6781 -13.6780 -13.4654 -13.4654 -11.1426 -11.1424 -9.7344 -9.7323 -8.8078 -8.8032 -8.5128 -8.5050 -3.4466 -3.4461 -1.9262 -1.9211 -1.7330 -1.7323 -1.0553 -1.0505 -0.9588 -0.9489 -0.6541 -0.6499 0.8440 0.8488 0.8787 0.8882 1.9266 1.9335 1.9684 1.9691 2.3043 2.3055 2.7301 2.7392 2.8504 2.8532 3.2296 3.2397 3.4546 3.4576 4.4039 4.4063 4.7767 4.7821 4.9298 4.9328 12.0664 12.0788 12.4314 12.4320 12.8477 12.8495 12.9057 12.9063 13.6855 13.6860 k =-0.3457 0.5588 0.1305 ( 4328 PWs) bands (ev): -13.6758 -13.6757 -13.4668 -13.4668 -11.1281 -11.1280 -9.7259 -9.7239 -8.8407 -8.8362 -8.5263 -8.5186 -3.4146 -3.4142 -1.9638 -1.9589 -1.7405 -1.7398 -1.0298 -1.0252 -0.8846 -0.8746 -0.6974 -0.6936 0.8538 0.8587 0.8918 0.9007 1.8984 1.9046 1.9540 1.9550 2.3160 2.3172 2.7163 2.7245 2.8731 2.8759 3.2241 3.2338 3.4714 3.4742 4.4005 4.4029 4.7699 4.7753 4.9204 4.9233 12.0481 12.0603 12.4124 12.4131 12.8033 12.8050 12.9186 12.9201 13.6789 13.6794 k =-0.3457 0.5588 0.1468 ( 4332 PWs) bands (ev): -13.6732 -13.6731 -13.4684 -13.4684 -11.1118 -11.1117 -9.7163 -9.7143 -8.8772 -8.8728 -8.5414 -8.5339 -3.3794 -3.3791 -1.9992 -1.9944 -1.7492 -1.7485 -1.0009 -0.9964 -0.8087 -0.7989 -0.7435 -0.7400 0.8649 0.8699 0.9046 0.9128 1.8672 1.8726 1.9400 1.9412 2.3279 2.3293 2.7002 2.7074 2.8972 2.9001 3.2192 3.2286 3.4890 3.4916 4.3969 4.3992 4.7621 4.7673 4.9098 4.9125 12.0313 12.0435 12.3903 12.3909 12.7585 12.7602 12.9328 12.9350 13.6718 13.6723 k =-0.3457 0.5588 0.1631 ( 4330 PWs) bands (ev): -13.6704 -13.6702 -13.4702 -13.4702 -11.0936 -11.0935 -9.7056 -9.7037 -8.9170 -8.9127 -8.5581 -8.5507 -3.3413 -3.3411 -2.0319 -2.0273 -1.7590 -1.7583 -0.9685 -0.9641 -0.7948 -0.7918 -0.7290 -0.7189 0.8773 0.8824 0.9166 0.9241 1.8333 1.8378 1.9267 1.9280 2.3401 2.3416 2.6815 2.6876 2.9222 2.9253 3.2152 3.2243 3.5072 3.5098 4.3932 4.3953 4.7531 4.7582 4.8978 4.9005 12.0170 12.0291 12.3642 12.3649 12.7158 12.7173 12.9481 12.9511 13.6637 13.6642 k =-0.3457 0.5588 0.1794 ( 4330 PWs) bands (ev): -13.6672 -13.6671 -13.4722 -13.4722 -11.0735 -11.0734 -9.6938 -9.6920 -8.9599 -8.9557 -8.5763 -8.5691 -3.3007 -3.3006 -2.0619 -2.0575 -1.7699 -1.7692 -0.9326 -0.9283 -0.8459 -0.8434 -0.6504 -0.6404 0.8910 0.8963 0.9274 0.9342 1.7967 1.8005 1.9143 1.9159 2.3522 2.3539 2.6600 2.6651 2.9476 2.9508 3.2123 3.2212 3.5260 3.5286 4.3894 4.3915 4.7428 4.7479 4.8847 4.8872 12.0055 12.0177 12.3336 12.3344 12.6774 12.6788 12.9643 12.9680 13.6539 13.6544 k =-0.3457 0.5588 0.1957 ( 4339 PWs) bands (ev): -13.6638 -13.6637 -13.4743 -13.4743 -11.0515 -11.0515 -9.6810 -9.6792 -9.0055 -9.0015 -8.5959 -8.5890 -3.2579 -3.2579 -2.0890 -2.0847 -1.7819 -1.7812 -0.9005 -0.8974 -0.8921 -0.8888 -0.5707 -0.5606 0.9061 0.9115 0.9369 0.9429 1.7578 1.7608 1.9033 1.9051 2.3643 2.3661 2.6358 2.6397 2.9728 2.9761 3.2108 3.2195 3.5454 3.5480 4.3856 4.3876 4.7314 4.7363 4.8703 4.8727 11.9976 12.0098 12.2981 12.2990 12.6450 12.6463 12.9812 12.9856 13.6419 13.6424 k =-0.3457 0.5588 0.2120 ( 4339 PWs) bands (ev): -13.6602 -13.6601 -13.4767 -13.4767 -11.0277 -11.0277 -9.6670 -9.6653 -9.0536 -9.0498 -8.6169 -8.6102 -3.2134 -3.2132 -2.1130 -2.1090 -1.7951 -1.7944 -0.9544 -0.9524 -0.8501 -0.8463 -0.4906 -0.4805 0.9225 0.9280 0.9447 0.9500 1.7167 1.7189 1.8940 1.8960 2.3760 2.3780 2.6086 2.6115 2.9969 3.0003 3.2112 3.2196 3.5653 3.5679 4.3819 4.3839 4.7185 4.7234 4.8548 4.8571 11.9935 12.0057 12.2584 12.2593 12.6197 12.6209 12.9987 13.0038 13.6269 13.6275 k =-0.3457 0.5588 0.2284 ( 4335 PWs) bands (ev): -13.6564 -13.6563 -13.4793 -13.4792 -11.0021 -11.0021 -9.6520 -9.6504 -9.1040 -9.1003 -8.6392 -8.6328 -3.1674 -3.1671 -2.1340 -2.1302 -1.8094 -1.8088 -1.0103 -1.0087 -0.8038 -0.8002 -0.4105 -0.4005 0.9401 0.9453 0.9511 0.9553 1.6737 1.6751 1.8866 1.8889 2.3872 2.3894 2.5786 2.5803 3.0194 3.0228 3.2137 3.2217 3.5858 3.5885 4.3786 4.3804 4.7044 4.7091 4.8383 4.8404 11.9935 12.0057 12.2155 12.2165 12.6015 12.6026 13.0164 13.0222 13.6084 13.6090 k =-0.3457 0.5588 0.2447 ( 4331 PWs) bands (ev): -13.6523 -13.6522 -13.4820 -13.4820 -10.9747 -10.9746 -9.6359 -9.6344 -9.1564 -9.1528 -8.6628 -8.6565 -3.1202 -3.1198 -2.1518 -2.1483 -1.8249 -1.8243 -1.0670 -1.0656 -0.7540 -0.7507 -0.3308 -0.3208 0.9540 0.9569 0.9608 0.9657 1.6288 1.6294 1.8813 1.8839 2.3978 2.4001 2.5455 2.5461 3.0395 3.0427 3.2188 3.2262 3.6070 3.6098 4.3755 4.3774 4.6887 4.6933 4.8207 4.8228 11.9978 12.0101 12.1711 12.1723 12.5897 12.5907 13.0339 13.0404 13.5857 13.5864 k =-0.3457 0.5588 0.2610 ( 4335 PWs) bands (ev): -13.6480 -13.6479 -13.4849 -13.4849 -10.9455 -10.9454 -9.6188 -9.6174 -9.2105 -9.2071 -8.6875 -8.6814 -3.0721 -3.0716 -2.1665 -2.1632 -1.8416 -1.8410 -1.1240 -1.1228 -0.7010 -0.6979 -0.2519 -0.2420 0.9562 0.9595 0.9799 0.9860 1.5822 1.5823 1.8786 1.8814 2.4074 2.4099 2.5090 2.5095 3.0567 3.0596 3.2265 3.2330 3.6290 3.6318 4.3730 4.3747 4.6717 4.6761 4.8023 4.8042 12.0065 12.0189 12.1270 12.1283 12.5836 12.5845 13.0508 13.0580 13.5578 13.5587 k =-0.3457 0.5588 0.2773 ( 4335 PWs) bands (ev): -13.6436 -13.6435 -13.4880 -13.4880 -10.9145 -10.9144 -9.6006 -9.5993 -9.2661 -9.2628 -8.7132 -8.7074 -3.0235 -3.0229 -2.1781 -2.1750 -1.8595 -1.8589 -1.1811 -1.1801 -0.6447 -0.6420 -0.1742 -0.1643 0.9563 0.9590 1.0013 1.0077 1.5337 1.5344 1.8785 1.8816 2.4158 2.4185 2.4690 2.4706 3.0708 3.0733 3.2365 3.2421 3.6519 3.6547 4.3710 4.3727 4.6531 4.6574 4.7831 4.7848 12.0197 12.0321 12.0847 12.0863 12.5822 12.5831 13.0665 13.0744 13.5239 13.5250 k =-0.3457 0.5588 0.2936 ( 4341 PWs) bands (ev): -13.6389 -13.6388 -13.4913 -13.4913 -10.8818 -10.8816 -9.5815 -9.5803 -9.3229 -9.3198 -8.7398 -8.7344 -2.9745 -2.9738 -2.1865 -2.1836 -1.8785 -1.8780 -1.2380 -1.2373 -0.5854 -0.5830 -0.0980 -0.0882 0.9543 0.9564 1.0239 1.0304 1.4840 1.4853 1.8812 1.8847 2.4223 2.4236 2.4283 2.4293 3.0822 3.0842 3.2481 3.2527 3.6759 3.6787 4.3696 4.3713 4.6329 4.6371 4.7633 4.7648 12.0373 12.0458 12.0461 12.0512 12.5850 12.5859 13.0802 13.0888 13.4830 13.4844 k =-0.3457 0.5588 0.3099 ( 4342 PWs) bands (ev): -13.6341 -13.6340 -13.4947 -13.4947 -10.8474 -10.8471 -9.5613 -9.5603 -9.3808 -9.3778 -8.7674 -8.7622 -2.9254 -2.9246 -2.1917 -2.1891 -1.8987 -1.8983 -1.2946 -1.2940 -0.5232 -0.5212 -0.0237 -0.0140 0.9504 0.9518 1.0473 1.0539 1.4336 1.4354 1.8871 1.8908 2.3804 2.3843 2.4282 2.4315 3.0915 3.0929 3.2603 3.2639 3.7011 3.7039 4.3691 4.3707 4.6113 4.6154 4.7429 4.7443 12.0109 12.0128 12.0594 12.0719 12.5912 12.5920 13.0911 13.1004 13.4341 13.4360 k =-0.3457 0.5588 0.3262 ( 4341 PWs) bands (ev): -13.6292 -13.6291 -13.4984 -13.4983 -10.8113 -10.8109 -9.5402 -9.5394 -9.4396 -9.4367 -8.7957 -8.7908 -2.8764 -2.8756 -2.1939 -2.1915 -1.9201 -1.9197 -1.3507 -1.3502 -0.4582 -0.4566 0.0484 0.0580 0.9445 0.9454 1.0709 1.0775 1.3833 1.3853 1.8960 1.9000 2.3325 2.3374 2.4316 2.4350 3.0992 3.1003 3.2721 3.2746 3.7277 3.7304 4.3693 4.3709 4.5881 4.5920 4.7221 4.7233 11.9813 11.9835 12.0856 12.0981 12.6001 12.6009 13.0981 13.1081 13.3769 13.3794 k =-0.3457 0.5588 0.3425 ( 4340 PWs) bands (ev): -13.6241 -13.6240 -13.5022 -13.5021 -10.7735 -10.7731 -9.5182 -9.5175 -9.4989 -9.4962 -8.8247 -8.8200 -2.8277 -2.8269 -2.1930 -2.1908 -1.9427 -1.9424 -1.4060 -1.4056 -0.3907 -0.3895 0.1180 0.1274 0.9368 0.9371 1.0934 1.0995 1.3347 1.3365 1.9082 1.9124 2.2823 2.2882 2.4328 2.4364 3.1062 3.1070 3.2825 3.2842 3.7557 3.7584 4.3705 4.3721 4.5634 4.5672 4.7010 4.7021 11.9576 11.9601 12.1158 12.1283 12.6109 12.6117 13.1003 13.1108 13.3121 13.3153 k =-0.3457 0.5588 0.3589 ( 4344 PWs) bands (ev): -13.6189 -13.6188 -13.5061 -13.5061 -10.7340 -10.7336 -9.5588 -9.5562 -9.4952 -9.4947 -8.8543 -8.8499 -2.7795 -2.7787 -2.1890 -2.1870 -1.9665 -1.9662 -1.4604 -1.4601 -0.3210 -0.3202 0.1847 0.1939 0.9270 0.9272 1.1108 1.1157 1.2922 1.2929 1.9236 1.9280 2.2301 2.2369 2.4316 2.4355 3.1129 3.1136 3.2909 3.2917 3.7852 3.7879 4.3727 4.3742 4.5373 4.5409 4.6799 4.6807 11.9404 11.9430 12.1498 12.1623 12.6225 12.6233 13.0967 13.1077 13.2419 13.2456 k =-0.3457 0.5588 0.3752 ( 4338 PWs) bands (ev): -13.6137 -13.6136 -13.5103 -13.5102 -10.6930 -10.6925 -9.6188 -9.6164 -9.4714 -9.4710 -8.8845 -8.8803 -2.7319 -2.7311 -2.1820 -2.1802 -1.9915 -1.9912 -1.5137 -1.5135 -0.2491 -0.2489 0.2484 0.2573 0.9151 0.9159 1.1137 1.1153 1.2641 1.2665 1.9422 1.9468 2.1762 2.1838 2.4278 2.4319 3.1199 3.1206 3.2968 3.2970 3.8162 3.8188 4.3759 4.3774 4.5097 4.5132 4.6587 4.6593 11.9299 11.9328 12.1874 12.1998 12.6332 12.6340 13.0865 13.0978 13.1696 13.1738 k =-0.3457 0.5588 0.3915 ( 4344 PWs) bands (ev): -13.6083 -13.6082 -13.5146 -13.5145 -10.6504 -10.6498 -9.6791 -9.6767 -9.4467 -9.4465 -8.9150 -8.9111 -2.6850 -2.6842 -2.1721 -2.1705 -2.0176 -2.0174 -1.5658 -1.5657 -0.1759 -0.1756 0.3087 0.3174 0.9016 0.9029 1.0883 1.0904 1.2616 1.2677 1.9638 1.9685 2.1209 2.1293 2.4212 2.4255 3.1274 3.1281 3.2996 3.3001 3.8486 3.8511 4.3802 4.3817 4.4807 4.4841 4.6376 4.6381 11.9266 11.9297 12.2282 12.2406 12.6403 12.6409 13.0694 13.0808 13.1000 13.1045 k =-0.3457 0.5588 0.4078 ( 4341 PWs) bands (ev): -13.6029 -13.6028 -13.5190 -13.5189 -10.6063 -10.6057 -9.7392 -9.7370 -9.4212 -9.4212 -8.9459 -8.9422 -2.6389 -2.6381 -2.1593 -2.1579 -2.0449 -2.0448 -1.6165 -1.6164 -0.1014 -0.1006 0.3657 0.3741 0.8865 0.8883 1.0418 1.0458 1.2807 1.2888 1.9881 1.9930 2.0645 2.0736 2.4117 2.4162 3.1356 3.1364 3.2996 3.3006 3.8822 3.8846 4.3856 4.3871 4.4505 4.4537 4.6168 4.6170 11.9305 11.9339 12.2721 12.2843 12.6395 12.6397 13.0391 13.0435 13.0456 13.0571 k =-0.3457 0.5588 0.4241 ( 4341 PWs) bands (ev): -13.5974 -13.5973 -13.5236 -13.5235 -10.5607 -10.5600 -9.7992 -9.7972 -9.3951 -9.3950 -8.9770 -8.9736 -2.5937 -2.5929 -2.1437 -2.1425 -2.0734 -2.0733 -1.6658 -1.6657 -0.0258 -0.0244 0.4192 0.4273 0.8697 0.8719 0.9858 0.9907 1.3105 1.3196 2.0072 2.0142 2.0179 2.0202 2.3992 2.4039 3.1447 3.1457 3.2971 3.2985 3.9168 3.9192 4.3922 4.3935 4.4191 4.4222 4.5963 4.5964 11.9419 11.9455 12.3185 12.3307 12.6242 12.6247 12.9948 12.9988 13.0152 13.0266 k =-0.3457 0.5588 0.4404 ( 4336 PWs) bands (ev): -13.5919 -13.5918 -13.5283 -13.5282 -10.5136 -10.5129 -9.8589 -9.8570 -9.3683 -9.3680 -9.0082 -9.0051 -2.5494 -2.5487 -2.1254 -2.1244 -2.1030 -2.1029 -1.7134 -1.7134 0.0507 0.0526 0.4693 0.4770 0.8513 0.8540 0.9248 0.9301 1.3460 1.3557 1.9500 1.9603 2.0440 2.0491 2.3838 2.3887 3.1546 3.1559 3.2921 3.2939 3.9524 3.9548 4.3863 4.3895 4.4000 4.4015 4.5762 4.5763 11.9606 11.9644 12.3672 12.3793 12.5902 12.5917 12.9714 12.9753 12.9799 12.9903 k =-0.3457 0.5588 0.4567 ( 4339 PWs) bands (ev): -13.5864 -13.5863 -13.5331 -13.5331 -10.4652 -10.4644 -9.9182 -9.9163 -9.3408 -9.3403 -9.0396 -9.0367 -2.5062 -2.5055 -2.1342 -2.1342 -2.1039 -2.1030 -1.7594 -1.7593 0.1276 0.1300 0.5160 0.5233 0.8312 0.8343 0.8607 0.8662 1.3851 1.3953 1.8927 1.9034 2.0746 2.0798 2.3654 2.3704 3.1655 3.1669 3.2851 3.2871 3.9886 3.9910 4.3529 4.3558 4.4088 4.4102 4.5566 4.5569 11.9866 11.9906 12.4178 12.4299 12.5394 12.5418 12.9373 12.9491 12.9712 12.9730 k =-0.3457 0.5588 0.4730 ( 4339 PWs) bands (ev): -13.5808 -13.5807 -13.5381 -13.5380 -10.4154 -10.4145 -9.9769 -9.9752 -9.3126 -9.3119 -9.0709 -9.0683 -2.4639 -2.4633 -2.1662 -2.1661 -2.0802 -2.0794 -1.8035 -1.8035 0.2047 0.2077 0.5594 0.5663 0.7939 0.7995 0.8095 0.8133 1.4271 1.4376 1.8357 1.8468 2.1065 2.1117 2.3442 2.3493 3.1772 3.1788 3.2762 3.2784 4.0254 4.0277 4.3184 4.3213 4.4189 4.4201 4.5377 4.5381 12.0197 12.0238 12.4676 12.4803 12.4805 12.4825 12.8924 12.9039 12.9850 12.9863 k =-0.3457 0.5588 0.4893 ( 4344 PWs) bands (ev): -13.5753 -13.5752 -13.5432 -13.5431 -10.3644 -10.3634 -10.0349 -10.0333 -9.2839 -9.2830 -9.1021 -9.0998 -2.4228 -2.4222 -2.1994 -2.1992 -2.0539 -2.0532 -1.8457 -1.8456 0.2817 0.2852 0.5996 0.6062 0.7253 0.7308 0.7860 0.7901 1.4716 1.4824 1.7795 1.7907 2.1390 2.1443 2.3204 2.3256 3.1895 3.1913 3.2658 3.2681 4.0625 4.0648 4.2832 4.2860 4.4301 4.4312 4.5195 4.5200 12.0597 12.0639 12.4110 12.4150 12.5240 12.5354 12.8441 12.8555 13.0091 13.0100 k =-0.3457 0.5588 0.5057 ( 4336 PWs) bands (ev): -13.5698 -13.5697 -13.5484 -13.5483 -10.3121 -10.3110 -10.0922 -10.0907 -9.2546 -9.2535 -9.1332 -9.1312 -2.3827 -2.3822 -2.2338 -2.2335 -2.0250 -2.0245 -1.8860 -1.8858 0.3582 0.3622 0.6368 0.6428 0.6550 0.6602 0.7606 0.7651 1.5183 1.5294 1.7242 1.7356 2.1717 2.1770 2.2941 2.2993 3.2024 3.2044 3.2542 3.2565 4.0997 4.1021 4.2473 4.2500 4.4424 4.4435 4.5022 4.5028 12.1061 12.1104 12.3438 12.3480 12.5781 12.5895 12.7933 12.8047 13.0400 13.0406 k =-0.3457 0.5588 0.5220 ( 4338 PWs) bands (ev): -13.5644 -13.5643 -13.5536 -13.5535 -10.2587 -10.2575 -10.1487 -10.1473 -9.2248 -9.2235 -9.1641 -9.1623 -2.3438 -2.3434 -2.2693 -2.2690 -1.9937 -1.9933 -1.9241 -1.9239 0.4340 0.4384 0.5825 0.5876 0.6715 0.6773 0.7331 0.7380 1.5671 1.5784 1.6703 1.6817 2.2041 2.2094 2.2657 2.2710 3.2155 3.2177 3.2417 3.2440 4.1370 4.1394 4.2109 4.2135 4.4558 4.4568 4.4857 4.4865 12.1584 12.1628 12.2783 12.2826 12.6325 12.6440 12.7407 12.7521 13.0754 13.0759 k =-0.3457 0.5588 0.5383 ( 4330 PWs) bands (ev): -13.5590 -13.5590 -13.5589 -13.5589 -10.2042 -10.2042 -10.2029 -10.2029 -9.1946 -9.1946 -9.1930 -9.1930 -2.3060 -2.3060 -2.3056 -2.3056 -1.9600 -1.9600 -1.9597 -1.9597 0.5089 0.5089 0.5137 0.5137 0.7035 0.7035 0.7088 0.7088 1.6178 1.6178 1.6293 1.6293 2.2356 2.2356 2.2409 2.2409 3.2287 3.2287 3.2310 3.2310 4.1741 4.1741 4.1766 4.1766 4.4703 4.4703 4.4712 4.4712 12.2161 12.2161 12.2205 12.2205 12.6869 12.6869 12.6983 12.6983 13.1140 13.1140 k =-0.3457 0.5588 0.5383 ( 4330 PWs) bands (ev): -13.5590 -13.5590 -13.5589 -13.5589 -10.2042 -10.2042 -10.2029 -10.2029 -9.1946 -9.1946 -9.1930 -9.1930 -2.3060 -2.3060 -2.3056 -2.3056 -1.9600 -1.9600 -1.9597 -1.9597 0.5089 0.5089 0.5137 0.5137 0.7035 0.7035 0.7088 0.7088 1.6178 1.6178 1.6293 1.6293 2.2356 2.2356 2.2409 2.2409 3.2287 3.2287 3.2310 3.2310 4.1741 4.1741 4.1766 4.1766 4.4703 4.4703 4.4712 4.4712 12.2161 12.2161 12.2205 12.2205 12.6869 12.6869 12.6983 12.6983 13.1140 13.1140 k =-0.3542 0.5449 0.5383 ( 4328 PWs) bands (ev): -13.5565 -13.5565 -13.5564 -13.5564 -10.2325 -10.2325 -10.2313 -10.2313 -9.1624 -9.1624 -9.1609 -9.1609 -2.2710 -2.2710 -2.2706 -2.2706 -2.0306 -2.0306 -2.0302 -2.0302 0.5292 0.5292 0.5340 0.5340 0.7101 0.7101 0.7152 0.7152 1.6258 1.6258 1.6371 1.6371 2.2445 2.2445 2.2496 2.2496 3.2246 3.2246 3.2266 3.2266 4.1448 4.1448 4.1473 4.1473 4.5020 4.5020 4.5029 4.5029 12.1681 12.1681 12.1723 12.1723 12.6780 12.6780 12.6888 12.6888 13.1429 13.1429 k =-0.3628 0.5311 0.5383 ( 4328 PWs) bands (ev): -13.5542 -13.5542 -13.5541 -13.5541 -10.2594 -10.2594 -10.2582 -10.2582 -9.1309 -9.1309 -9.1294 -9.1294 -2.2380 -2.2380 -2.2376 -2.2376 -2.0990 -2.0990 -2.0985 -2.0985 0.5475 0.5475 0.5523 0.5523 0.7167 0.7167 0.7214 0.7214 1.6348 1.6348 1.6458 1.6458 2.2539 2.2539 2.2588 2.2588 3.2200 3.2200 3.2219 3.2219 4.1170 4.1170 4.1195 4.1195 4.5341 4.5341 4.5350 4.5350 12.1196 12.1196 12.1237 12.1237 12.6680 12.6680 12.6783 12.6783 13.1730 13.1731 k =-0.3714 0.5172 0.5383 ( 4332 PWs) bands (ev): -13.5520 -13.5520 -13.5520 -13.5520 -10.2848 -10.2848 -10.2837 -10.2837 -9.1003 -9.1003 -9.0989 -9.0989 -2.2070 -2.2070 -2.2067 -2.2067 -2.1648 -2.1648 -2.1643 -2.1643 0.5637 0.5637 0.5684 0.5684 0.7232 0.7232 0.7276 0.7276 1.6445 1.6445 1.6552 1.6552 2.2637 2.2637 2.2684 2.2684 3.2151 3.2151 3.2169 3.2169 4.0907 4.0907 4.0932 4.0932 4.5664 4.5664 4.5673 4.5673 12.0716 12.0716 12.0755 12.0755 12.6577 12.6577 12.6675 12.6675 13.2035 13.2036 k =-0.3800 0.5034 0.5383 ( 4336 PWs) bands (ev): -13.5500 -13.5500 -13.5499 -13.5499 -10.3087 -10.3087 -10.3077 -10.3077 -9.0707 -9.0707 -9.0693 -9.0693 -2.2283 -2.2283 -2.2277 -2.2277 -2.1777 -2.1777 -2.1773 -2.1773 0.5780 0.5780 0.5826 0.5826 0.7295 0.7295 0.7337 0.7337 1.6548 1.6548 1.6651 1.6651 2.2738 2.2738 2.2782 2.2782 3.2100 3.2100 3.2116 3.2116 4.0660 4.0660 4.0684 4.0684 4.5985 4.5985 4.5994 4.5994 12.0247 12.0247 12.0284 12.0284 12.6475 12.6475 12.6567 12.6567 13.2337 13.2337 k =-0.3885 0.4895 0.5383 ( 4340 PWs) bands (ev): -13.5480 -13.5480 -13.5480 -13.5480 -10.3311 -10.3311 -10.3301 -10.3301 -9.0422 -9.0422 -9.0409 -9.0409 -2.2884 -2.2884 -2.2878 -2.2878 -2.1507 -2.1507 -2.1503 -2.1503 0.5906 0.5906 0.5950 0.5950 0.7357 0.7357 0.7396 0.7396 1.6655 1.6655 1.6753 1.6753 2.2838 2.2838 2.2880 2.2880 3.2046 3.2046 3.2061 3.2061 4.0429 4.0429 4.0453 4.0453 4.6303 4.6303 4.6311 4.6311 11.9794 11.9794 11.9829 11.9829 12.6379 12.6379 12.6466 12.6466 13.2631 13.2631 k =-0.3971 0.4756 0.5383 ( 4340 PWs) bands (ev): -13.5463 -13.5463 -13.5462 -13.5462 -10.3519 -10.3519 -10.3510 -10.3510 -9.0151 -9.0151 -9.0138 -9.0138 -2.3453 -2.3453 -2.3447 -2.3447 -2.1256 -2.1256 -2.1252 -2.1252 0.6015 0.6015 0.6057 0.6057 0.7417 0.7417 0.7452 0.7452 1.6763 1.6763 1.6855 1.6855 2.2939 2.2939 2.2978 2.2978 3.1991 3.1991 3.2005 3.2005 4.0215 4.0215 4.0238 4.0238 4.6614 4.6614 4.6621 4.6621 11.9362 11.9362 11.9394 11.9394 12.6294 12.6294 12.6374 12.6374 13.2912 13.2913 k =-0.4057 0.4618 0.5383 ( 4342 PWs) bands (ev): -13.5446 -13.5446 -13.5445 -13.5445 -10.3711 -10.3711 -10.3702 -10.3702 -8.9894 -8.9894 -8.9882 -8.9882 -2.3987 -2.3987 -2.3981 -2.3981 -2.1024 -2.1024 -2.1021 -2.1021 0.6110 0.6110 0.6149 0.6149 0.7474 0.7474 0.7507 0.7507 1.6870 1.6870 1.6956 1.6956 2.3037 2.3037 2.3074 2.3074 3.1936 3.1936 3.1948 3.1948 4.0017 4.0017 4.0039 4.0039 4.6914 4.6914 4.6921 4.6921 11.8955 11.8955 11.8984 11.8984 12.6221 12.6221 12.6295 12.6295 13.3178 13.3178 k =-0.4143 0.4479 0.5383 ( 4334 PWs) bands (ev): -13.5431 -13.5431 -13.5430 -13.5430 -10.3887 -10.3887 -10.3879 -10.3879 -8.9653 -8.9653 -8.9642 -8.9642 -2.4483 -2.4483 -2.4477 -2.4477 -2.0813 -2.0813 -2.0810 -2.0810 0.6191 0.6191 0.6227 0.6227 0.7529 0.7529 0.7558 0.7558 1.6974 1.6974 1.7054 1.7054 2.3132 2.3132 2.3166 2.3166 3.1881 3.1881 3.1892 3.1892 3.9838 3.9838 3.9858 3.9858 4.7202 4.7202 4.7209 4.7209 11.8575 11.8575 11.8602 11.8602 12.6162 12.6162 12.6231 12.6231 13.3426 13.3426 k =-0.4228 0.4340 0.5383 ( 4326 PWs) bands (ev): -13.5417 -13.5417 -13.5417 -13.5417 -10.4046 -10.4046 -10.4039 -10.4039 -8.9430 -8.9430 -8.9420 -8.9420 -2.4940 -2.4940 -2.4934 -2.4934 -2.0622 -2.0622 -2.0619 -2.0619 0.6261 0.6261 0.6294 0.6294 0.7579 0.7579 0.7606 0.7606 1.7074 1.7074 1.7147 1.7147 2.3222 2.3222 2.3254 2.3254 3.1827 3.1827 3.1837 3.1837 3.9675 3.9675 3.9694 3.9694 4.7474 4.7474 4.7480 4.7480 11.8225 11.8225 11.8249 11.8249 12.6119 12.6119 12.6182 12.6182 13.3653 13.3654 k =-0.4314 0.4202 0.5383 ( 4334 PWs) bands (ev): -13.5405 -13.5405 -13.5404 -13.5404 -10.4190 -10.4190 -10.4183 -10.4183 -8.9226 -8.9226 -8.9216 -8.9216 -2.5355 -2.5355 -2.5349 -2.5349 -2.0451 -2.0451 -2.0448 -2.0448 0.6319 0.6319 0.6349 0.6349 0.7626 0.7626 0.7650 0.7650 1.7168 1.7168 1.7234 1.7234 2.3307 2.3307 2.3335 2.3335 3.1776 3.1776 3.1785 3.1785 3.9530 3.9530 3.9547 3.9547 4.7727 4.7727 4.7732 4.7732 11.7907 11.7907 11.7929 11.7929 12.6092 12.6092 12.6148 12.6148 13.3859 13.3860 k =-0.4400 0.4063 0.5383 ( 4350 PWs) bands (ev): -13.5394 -13.5394 -13.5393 -13.5393 -10.4316 -10.4316 -10.4311 -10.4311 -8.9042 -8.9042 -8.9034 -8.9034 -2.5725 -2.5725 -2.5721 -2.5721 -2.0300 -2.0300 -2.0298 -2.0298 0.6369 0.6369 0.6395 0.6395 0.7669 0.7669 0.7689 0.7689 1.7254 1.7254 1.7312 1.7312 2.3385 2.3385 2.3410 2.3410 3.1727 3.1727 3.1735 3.1735 3.9402 3.9402 3.9417 3.9417 4.7957 4.7957 4.7962 4.7962 11.7622 11.7622 11.7642 11.7642 12.6079 12.6079 12.6128 12.6128 13.4043 13.4043 k =-0.4486 0.3925 0.5383 ( 4354 PWs) bands (ev): -13.5384 -13.5384 -13.5384 -13.5384 -10.4426 -10.4426 -10.4422 -10.4422 -8.8880 -8.8880 -8.8873 -8.8873 -2.6051 -2.6051 -2.6047 -2.6047 -2.0169 -2.0169 -2.0167 -2.0167 0.6410 0.6410 0.6433 0.6433 0.7707 0.7707 0.7724 0.7724 1.7332 1.7332 1.7382 1.7382 2.3455 2.3455 2.3477 2.3477 3.1683 3.1683 3.1690 3.1690 3.9291 3.9291 3.9305 3.9305 4.8164 4.8164 4.8168 4.8168 11.7373 11.7373 11.7390 11.7390 12.6078 12.6078 12.6121 12.6121 13.4203 13.4203 k =-0.4571 0.3786 0.5383 ( 4362 PWs) bands (ev): -13.5376 -13.5376 -13.5376 -13.5376 -10.4520 -10.4520 -10.4516 -10.4516 -8.8740 -8.8740 -8.8734 -8.8734 -2.6329 -2.6329 -2.6325 -2.6325 -2.0059 -2.0059 -2.0057 -2.0057 0.6443 0.6443 0.6463 0.6463 0.7740 0.7740 0.7754 0.7754 1.7400 1.7400 1.7442 1.7442 2.3516 2.3516 2.3535 2.3535 3.1645 3.1645 3.1650 3.1650 3.9198 3.9198 3.9210 3.9210 4.8343 4.8343 4.8346 4.8346 11.7161 11.7161 11.7175 11.7175 12.6087 12.6087 12.6124 12.6124 13.4338 13.4339 k =-0.4657 0.3647 0.5383 ( 4358 PWs) bands (ev): -13.5370 -13.5370 -13.5369 -13.5369 -10.4596 -10.4596 -10.4593 -10.4593 -8.8625 -8.8625 -8.8620 -8.8620 -2.6558 -2.6558 -2.6555 -2.6555 -1.9968 -1.9968 -1.9966 -1.9966 0.6470 0.6470 0.6486 0.6486 0.7767 0.7767 0.7779 0.7779 1.7458 1.7458 1.7492 1.7492 2.3568 2.3568 2.3583 2.3583 3.1612 3.1612 3.1616 3.1616 3.9122 3.9122 3.9132 3.9132 4.8493 4.8493 4.8496 4.8496 11.6986 11.6986 11.6997 11.6997 12.6103 12.6103 12.6133 12.6133 13.4450 13.4450 k =-0.4743 0.3509 0.5383 ( 4358 PWs) bands (ev): -13.5364 -13.5364 -13.5364 -13.5364 -10.4655 -10.4655 -10.4653 -10.4653 -8.8534 -8.8534 -8.8530 -8.8530 -2.6738 -2.6738 -2.6735 -2.6735 -1.9897 -1.9897 -1.9896 -1.9896 0.6491 0.6491 0.6502 0.6502 0.7790 0.7790 0.7798 0.7798 1.7504 1.7504 1.7530 1.7530 2.3609 2.3609 2.3620 2.3620 3.1586 3.1586 3.1589 3.1589 3.9064 3.9064 3.9071 3.9071 4.8611 4.8611 4.8614 4.8614 11.6849 11.6849 11.6857 11.6857 12.6122 12.6122 12.6144 12.6144 13.4537 13.4537 k =-0.4829 0.3370 0.5383 ( 4360 PWs) bands (ev): -13.5361 -13.5361 -13.5361 -13.5361 -10.4698 -10.4698 -10.4696 -10.4696 -8.8468 -8.8468 -8.8466 -8.8466 -2.6866 -2.6866 -2.6865 -2.6865 -1.9847 -1.9847 -1.9846 -1.9846 0.6506 0.6506 0.6513 0.6513 0.7806 0.7806 0.7812 0.7812 1.7539 1.7539 1.7556 1.7556 2.3639 2.3639 2.3647 2.3647 3.1567 3.1567 3.1569 3.1569 3.9022 3.9022 3.9027 3.9027 4.8697 4.8697 4.8699 4.8699 11.6751 11.6751 11.6757 11.6757 12.6139 12.6139 12.6154 12.6154 13.4599 13.4599 k =-0.4914 0.3232 0.5383 ( 4372 PWs) bands (ev): -13.5359 -13.5359 -13.5359 -13.5359 -10.4723 -10.4723 -10.4722 -10.4722 -8.8428 -8.8428 -8.8427 -8.8427 -2.6944 -2.6944 -2.6943 -2.6943 -1.9817 -1.9817 -1.9816 -1.9816 0.6515 0.6515 0.6519 0.6519 0.7816 0.7816 0.7819 0.7819 1.7562 1.7562 1.7570 1.7570 2.3658 2.3658 2.3662 2.3662 3.1555 3.1555 3.1557 3.1557 3.8998 3.8998 3.9000 3.9000 4.8750 4.8750 4.8750 4.8750 11.6693 11.6693 11.6696 11.6696 12.6152 12.6152 12.6160 12.6160 13.4636 13.4637 k =-0.5000 0.3093 0.5383 ( 4376 PWs) bands (ev): -13.5358 -13.5358 -13.5358 -13.5358 -10.4731 -10.4731 -10.4731 -10.4731 -8.8414 -8.8414 -8.8414 -8.8414 -2.6969 -2.6969 -2.6969 -2.6969 -1.9807 -1.9807 -1.9807 -1.9807 0.6520 0.6520 0.6520 0.6520 0.7821 0.7821 0.7821 0.7821 1.7572 1.7572 1.7572 1.7572 2.3666 2.3666 2.3666 2.3666 3.1552 3.1552 3.1552 3.1552 3.8991 3.8991 3.8991 3.8991 4.8767 4.8767 4.8767 4.8767 11.6675 11.6675 11.6675 11.6675 12.6160 12.6160 12.6160 12.6160 13.4649 13.4649 k =-0.5000 0.3093 0.5383 ( 4376 PWs) bands (ev): -13.5358 -13.5358 -13.5358 -13.5358 -10.4731 -10.4731 -10.4731 -10.4731 -8.8414 -8.8414 -8.8414 -8.8414 -2.6969 -2.6969 -2.6969 -2.6969 -1.9807 -1.9807 -1.9807 -1.9807 0.6520 0.6520 0.6520 0.6520 0.7821 0.7821 0.7821 0.7821 1.7572 1.7572 1.7572 1.7572 2.3666 2.3666 2.3666 2.3666 3.1552 3.1552 3.1552 3.1552 3.8991 3.8991 3.8991 3.8991 4.8767 4.8767 4.8767 4.8767 11.6675 11.6675 11.6675 11.6675 12.6160 12.6160 12.6160 12.6160 13.4649 13.4649 k =-0.5000 0.3093 0.5220 ( 4376 PWs) bands (ev): -13.5404 -13.5404 -13.5312 -13.5312 -10.5301 -10.5301 -10.4150 -10.4150 -8.8477 -8.8477 -8.8354 -8.8354 -2.7019 -2.7019 -2.6889 -2.6889 -2.0184 -2.0184 -1.9452 -1.9452 0.5549 0.5549 0.7489 0.7489 0.7753 0.7753 0.7872 0.7872 1.7302 1.7302 1.7866 1.7866 2.3620 2.3620 2.3697 2.3697 3.1524 3.1524 3.1548 3.1548 3.8622 3.8622 3.9362 3.9362 4.8763 4.8763 4.8780 4.8780 11.6698 11.6698 11.6736 11.6736 12.6129 12.6129 12.6161 12.6161 13.4214 13.4214 k =-0.5000 0.3093 0.5057 ( 4364 PWs) bands (ev): -13.5450 -13.5450 -13.5267 -13.5267 -10.5858 -10.5858 -10.3559 -10.3559 -8.8542 -8.8542 -8.8295 -8.8295 -2.7037 -2.7037 -2.6778 -2.6778 -2.0585 -2.0585 -1.9119 -1.9119 0.4586 0.4586 0.7666 0.7666 0.7906 0.7906 0.8446 0.8446 1.7064 1.7064 1.8178 1.8178 2.3560 2.3560 2.3713 2.3713 3.1460 3.1460 3.1516 3.1516 3.8258 3.8258 3.9733 3.9733 4.8768 4.8768 4.8802 4.8802 11.6808 11.6808 11.6881 11.6881 12.6075 12.6075 12.6130 12.6130 13.3767 13.3767 k =-0.5000 0.3093 0.4893 ( 4360 PWs) bands (ev): -13.5497 -13.5497 -13.5223 -13.5223 -10.6403 -10.6403 -10.2958 -10.2958 -8.8608 -8.8608 -8.8239 -8.8239 -2.7023 -2.7023 -2.6637 -2.6637 -2.1010 -2.1010 -1.8807 -1.8807 0.3638 0.3638 0.7560 0.7560 0.7924 0.7924 0.9372 0.9372 1.6872 1.6872 1.8503 1.8503 2.3486 2.3486 2.3713 2.3713 3.1356 3.1356 3.1462 3.1462 3.7905 3.7905 4.0101 4.0101 4.8783 4.8783 4.8831 4.8831 11.7004 11.7004 11.7106 11.7106 12.6000 12.6000 12.6064 12.6064 13.3312 13.3312 k =-0.5000 0.3093 0.4730 ( 4368 PWs) bands (ev): -13.5543 -13.5543 -13.5180 -13.5180 -10.6935 -10.6935 -10.2349 -10.2349 -8.8675 -8.8675 -8.8185 -8.8185 -2.6979 -2.6979 -2.6465 -2.6465 -2.1462 -2.1462 -1.8514 -1.8514 0.2712 0.2712 0.7433 0.7433 0.7926 0.7926 1.0244 1.0244 1.6748 1.6748 1.8837 1.8837 2.3401 2.3401 2.3696 2.3696 3.1210 3.1210 3.1390 3.1390 3.7564 3.7564 4.0461 4.0461 4.8808 4.8808 4.8868 4.8868 11.7287 11.7287 11.7408 11.7408 12.5908 12.5908 12.5963 12.5963 13.2854 13.2854 k =-0.5000 0.3093 0.4567 ( 4356 PWs) bands (ev): -13.5590 -13.5590 -13.5137 -13.5137 -10.7453 -10.7453 -10.1731 -10.1731 -8.8744 -8.8744 -8.8134 -8.8134 -2.6903 -2.6903 -2.6264 -2.6264 -2.1939 -2.1939 -1.8239 -1.8239 0.1811 0.1811 0.7285 0.7285 0.7912 0.7912 1.1026 1.1026 1.6724 1.6724 1.9179 1.9179 2.3305 2.3305 2.3663 2.3663 3.1021 3.1021 3.1306 3.1306 3.7238 3.7238 4.0813 4.0813 4.8844 4.8844 4.8911 4.8911 11.7655 11.7655 11.7781 11.7781 12.5800 12.5800 12.5828 12.5828 13.2398 13.2398 k =-0.5000 0.3093 0.4404 ( 4352 PWs) bands (ev): -13.5637 -13.5637 -13.5095 -13.5095 -10.7957 -10.7957 -10.1108 -10.1108 -8.8814 -8.8814 -8.8085 -8.8085 -2.6797 -2.6797 -2.6035 -2.6035 -2.2442 -2.2442 -1.7982 -1.7982 0.0940 0.0940 0.7112 0.7112 0.7882 0.7882 1.1673 1.1673 1.6840 1.6840 1.9526 1.9526 2.3198 2.3198 2.3614 2.3614 3.0791 3.0791 3.1213 3.1213 3.6928 3.6928 4.1155 4.1155 4.8891 4.8891 4.8960 4.8960 11.8106 11.8106 11.8220 11.8220 12.5641 12.5641 12.5702 12.5702 13.1950 13.1950 k =-0.5000 0.3093 0.4241 ( 4356 PWs) bands (ev): -13.5683 -13.5683 -13.5055 -13.5055 -10.8446 -10.8446 -10.0478 -10.0478 -8.8884 -8.8884 -8.8039 -8.8039 -2.6660 -2.6660 -2.5777 -2.5777 -2.2972 -2.2972 -1.7741 -1.7741 0.0102 0.0102 0.6913 0.6913 0.7834 0.7834 1.2144 1.2144 1.7135 1.7135 1.9877 1.9877 2.3082 2.3082 2.3549 2.3549 3.0520 3.0520 3.1115 3.1115 3.6636 3.6636 4.1485 4.1485 4.8950 4.8950 4.9014 4.9014 11.8638 11.8638 11.8718 11.8718 12.5434 12.5434 12.5585 12.5585 13.1516 13.1516 k =-0.5000 0.3093 0.4078 ( 4362 PWs) bands (ev): -13.5729 -13.5729 -13.5015 -13.5015 -10.8919 -10.8919 -9.9845 -9.9845 -8.8955 -8.8955 -8.7996 -8.7996 -2.6493 -2.6493 -2.5491 -2.5491 -2.3527 -2.3527 -1.7515 -1.7515 -0.0699 -0.0699 0.6687 0.6687 0.7768 0.7768 1.2425 1.2425 1.7621 1.7621 2.0229 2.0229 2.2958 2.2958 2.3472 2.3472 3.0213 3.0213 3.1017 3.1017 3.6361 3.6361 4.1801 4.1801 4.9020 4.9020 4.9074 4.9074 11.9244 11.9244 11.9269 11.9269 12.5196 12.5196 12.5469 12.5469 13.1104 13.1104 k =-0.5000 0.3093 0.3915 ( 4356 PWs) bands (ev): -13.5775 -13.5775 -13.4977 -13.4977 -10.9377 -10.9377 -9.9208 -9.9208 -8.9026 -8.9026 -8.7955 -8.7955 -2.6296 -2.6296 -2.5180 -2.5180 -2.4107 -2.4107 -1.7304 -1.7304 -0.1462 -0.1462 0.6432 0.6432 0.7683 0.7683 1.2541 1.2541 1.8267 1.8267 2.0581 2.0581 2.2826 2.2826 2.3382 2.3382 2.9876 2.9876 3.0921 3.0921 3.6102 3.6102 4.2103 4.2103 4.9102 4.9102 4.9137 4.9137 11.9849 11.9849 11.9934 11.9934 12.4933 12.4933 12.5356 12.5356 13.0724 13.0724 k =-0.5000 0.3093 0.3752 ( 4350 PWs) bands (ev): -13.5820 -13.5820 -13.4940 -13.4940 -10.9819 -10.9819 -9.8570 -9.8570 -8.9097 -8.9097 -8.7917 -8.7917 -2.6070 -2.6070 -2.4843 -2.4843 -2.4709 -2.4709 -1.7106 -1.7106 -0.2185 -0.2185 0.6147 0.6147 0.7577 0.7577 1.2539 1.2539 1.9024 1.9024 2.0932 2.0932 2.2688 2.2688 2.3284 2.3284 2.9513 2.9513 3.0829 3.0829 3.5857 3.5857 4.2390 4.2390 4.9194 4.9194 4.9208 4.9208 12.0462 12.0462 12.0688 12.0688 12.4650 12.4650 12.5247 12.5247 13.0386 13.0386 k =-0.5000 0.3093 0.3589 ( 4350 PWs) bands (ev): -13.5864 -13.5864 -13.4904 -13.4904 -11.0245 -11.0245 -9.7932 -9.7932 -8.9168 -8.9168 -8.7881 -8.7881 -2.5816 -2.5816 -2.5335 -2.5335 -2.4480 -2.4480 -1.6922 -1.6922 -0.2867 -0.2867 0.5830 0.5830 0.7450 0.7450 1.2461 1.2461 1.9846 1.9846 2.1281 2.1281 2.2545 2.2545 2.3180 2.3180 2.9133 2.9133 3.0743 3.0743 3.5624 3.5624 4.2662 4.2662 4.9272 4.9272 4.9307 4.9307 12.1081 12.1081 12.1506 12.1506 12.4352 12.4352 12.5146 12.5146 13.0104 13.0104 k =-0.5000 0.3093 0.3425 ( 4358 PWs) bands (ev): -13.5907 -13.5907 -13.4869 -13.4869 -11.0653 -11.0653 -9.7296 -9.7296 -8.9238 -8.9238 -8.7848 -8.7848 -2.5978 -2.5978 -2.5534 -2.5534 -2.4096 -2.4096 -1.6749 -1.6749 -0.3507 -0.3507 0.5481 0.5481 0.7300 0.7300 1.2336 1.2336 2.0701 2.0701 2.1626 2.1626 2.2398 2.2398 2.3072 2.3072 2.8742 2.8742 3.0664 3.0664 3.5402 3.5402 4.2918 4.2918 4.9345 4.9345 4.9427 4.9427 12.1687 12.1687 12.2384 12.2384 12.4045 12.4045 12.5055 12.5055 12.9898 12.9898 k =-0.5000 0.3093 0.3262 ( 4356 PWs) bands (ev): -13.5950 -13.5950 -13.4836 -13.4836 -11.1044 -11.1044 -9.6663 -9.6663 -8.9307 -8.9307 -8.7818 -8.7818 -2.6636 -2.6636 -2.5226 -2.5226 -2.3690 -2.3690 -1.6588 -1.6588 -0.4106 -0.4106 0.5099 0.5099 0.7125 0.7125 1.2184 1.2184 2.1561 2.1561 2.1969 2.1969 2.2249 2.2249 2.2965 2.2965 2.8346 2.8346 3.0593 3.0593 3.5189 3.5189 4.3158 4.3158 4.9420 4.9420 4.9559 4.9559 12.2251 12.2251 12.3314 12.3314 12.3733 12.3733 12.4976 12.4976 12.9789 12.9789 k =-0.5000 0.3093 0.3099 ( 4342 PWs) bands (ev): -13.5991 -13.5991 -13.4805 -13.4805 -11.1418 -11.1418 -9.6036 -9.6036 -8.9374 -8.9374 -8.7790 -8.7790 -2.7305 -2.7305 -2.4893 -2.4893 -2.3264 -2.3264 -1.6439 -1.6439 -0.4664 -0.4664 0.4685 0.4685 0.6925 0.6925 1.2018 1.2018 2.2094 2.2094 2.2272 2.2272 2.2456 2.2456 2.2860 2.2860 2.7951 2.7951 3.0529 3.0529 3.4983 3.4983 4.3382 4.3382 4.9495 4.9495 4.9703 4.9703 12.2743 12.2743 12.3418 12.3418 12.4292 12.4292 12.4911 12.4911 12.9804 12.9804 k =-0.5000 0.3093 0.2936 ( 4336 PWs) bands (ev): -13.6031 -13.6031 -13.4775 -13.4775 -11.1775 -11.1775 -9.5416 -9.5416 -8.9440 -8.9440 -8.7764 -8.7764 -2.7983 -2.7983 -2.4536 -2.4536 -2.2820 -2.2820 -1.6299 -1.6299 -0.5182 -0.5182 0.4240 0.4240 0.6698 0.6698 1.1845 1.1845 2.1945 2.1945 2.2612 2.2612 2.2761 2.2761 2.3282 2.3282 2.7563 2.7563 3.0471 3.0471 3.4784 3.4784 4.3590 4.3590 4.9571 4.9571 4.9858 4.9858 12.3078 12.3078 12.3164 12.3164 12.4858 12.4858 12.5310 12.5310 12.9965 12.9965 k =-0.5000 0.3093 0.2773 ( 4336 PWs) bands (ev): -13.6069 -13.6069 -13.4746 -13.4746 -11.2113 -11.2113 -9.4806 -9.4806 -8.9505 -8.9505 -8.7741 -8.7741 -2.8664 -2.8664 -2.4157 -2.4157 -2.2360 -2.2360 -1.6170 -1.6170 -0.5661 -0.5661 0.3765 0.3765 0.6445 0.6445 1.1670 1.1670 2.1796 2.1796 2.2666 2.2666 2.2933 2.2933 2.4099 2.4099 2.7186 2.7186 3.0421 3.0421 3.4592 3.4592 4.3783 4.3783 4.9647 4.9647 5.0024 5.0024 12.2795 12.2795 12.3418 12.3418 12.4826 12.4826 12.6353 12.6353 13.0284 13.0284 k =-0.5000 0.3093 0.2610 ( 4340 PWs) bands (ev): -13.6106 -13.6106 -13.4719 -13.4719 -11.2433 -11.2433 -9.4208 -9.4208 -8.9567 -8.9567 -8.7720 -8.7720 -2.9344 -2.9344 -2.3757 -2.3757 -2.1886 -2.1886 -1.6050 -1.6050 -0.6102 -0.6102 0.3262 0.3262 0.6164 0.6164 1.1497 1.1497 2.1652 2.1652 2.2583 2.2583 2.3238 2.3238 2.4888 2.4888 2.6823 2.6823 3.0376 3.0376 3.4407 3.4407 4.3960 4.3960 4.9722 4.9722 5.0199 5.0199 12.2498 12.2498 12.3578 12.3578 12.4812 12.4812 12.7415 12.7415 13.0753 13.0753 k =-0.5000 0.3093 0.2447 ( 4338 PWs) bands (ev): -13.6142 -13.6142 -13.4693 -13.4693 -11.2735 -11.2735 -9.3625 -9.3625 -8.9627 -8.9627 -8.7701 -8.7701 -3.0018 -3.0018 -2.3340 -2.3340 -2.1400 -2.1400 -1.5940 -1.5940 -0.6507 -0.6507 0.2736 0.2736 0.5858 0.5858 1.1329 1.1329 2.1513 2.1513 2.2510 2.2510 2.3533 2.3533 2.5641 2.5641 2.6478 2.6478 3.0336 3.0336 3.4227 3.4227 4.4123 4.4123 4.9796 4.9796 5.0383 5.0383 12.2211 12.2211 12.3640 12.3640 12.4818 12.4818 12.8483 12.8483 13.1348 13.1348 k =-0.5000 0.3093 0.2284 ( 4330 PWs) bands (ev): -13.6175 -13.6175 -13.4669 -13.4669 -11.3018 -11.3018 -9.3059 -9.3059 -8.9684 -8.9684 -8.7684 -8.7684 -3.0681 -3.0681 -2.2906 -2.2906 -2.0906 -2.0906 -1.5838 -1.5838 -0.6877 -0.6877 0.2188 0.2188 0.5526 0.5526 1.1168 1.1168 2.1382 2.1382 2.2447 2.2447 2.3815 2.3815 2.6149 2.6149 2.6358 2.6358 3.0301 3.0301 3.4055 3.4055 4.4271 4.4271 4.9868 4.9868 5.0574 5.0574 12.1936 12.1936 12.3629 12.3629 12.4845 12.4845 12.9539 12.9539 13.2037 13.2037 k =-0.5000 0.3093 0.2120 ( 4330 PWs) bands (ev): -13.6207 -13.6207 -13.4647 -13.4647 -11.3282 -11.3282 -9.2513 -9.2513 -8.9739 -8.9739 -8.7668 -8.7668 -3.1328 -3.1328 -2.2459 -2.2459 -2.0407 -2.0407 -1.5745 -1.5745 -0.7214 -0.7214 0.1625 0.1625 0.5173 0.5173 1.1014 1.1014 2.1261 2.1261 2.2396 2.2396 2.4083 2.4083 2.5846 2.5846 2.7028 2.7028 3.0270 3.0270 3.3890 3.3890 4.4405 4.4405 4.9937 4.9937 5.0769 5.0769 12.1676 12.1676 12.3567 12.3567 12.4895 12.4895 13.0564 13.0564 13.2785 13.2785 k =-0.5000 0.3093 0.1957 ( 4326 PWs) bands (ev): -13.6237 -13.6237 -13.4626 -13.4626 -11.3527 -11.3527 -9.1990 -9.1990 -8.9790 -8.9790 -8.7655 -8.7655 -3.1954 -3.1954 -2.2003 -2.2003 -1.9907 -1.9907 -1.5659 -1.5659 -0.7519 -0.7519 0.1050 0.1050 0.4801 0.4801 1.0869 1.0869 2.1150 2.1150 2.2355 2.2355 2.4336 2.4336 2.5563 2.5563 2.7655 2.7655 3.0242 3.0242 3.3733 3.3733 4.4526 4.4526 5.0004 5.0004 5.0966 5.0966 12.1432 12.1432 12.3475 12.3475 12.4968 12.4968 13.1531 13.1531 13.2767 13.2767 k =-0.5000 0.3093 0.1794 ( 4318 PWs) bands (ev): -13.6265 -13.6265 -13.4607 -13.4607 -11.3754 -11.3754 -9.1493 -9.1493 -8.9838 -8.9838 -8.7643 -8.7643 -3.2553 -3.2553 -2.1540 -2.1540 -1.9409 -1.9409 -1.5582 -1.5582 -0.7795 -0.7795 0.0469 0.0469 0.4415 0.4415 1.0733 1.0733 2.1050 2.1050 2.2323 2.2323 2.4573 2.4573 2.5303 2.5303 2.8235 2.8235 3.0216 3.0216 3.3585 3.3585 4.4634 4.4634 5.0067 5.0067 5.1164 5.1164 12.1204 12.1204 12.3366 12.3366 12.5066 12.5066 13.2412 13.2412 13.2561 13.2561 k =-0.5000 0.3093 0.1631 ( 4326 PWs) bands (ev): -13.6291 -13.6291 -13.4590 -13.4590 -11.3961 -11.3961 -9.1026 -9.1026 -8.9883 -8.9883 -8.7632 -8.7632 -3.3121 -3.3121 -2.1076 -2.1076 -1.8919 -1.8919 -1.5512 -1.5512 -0.8041 -0.8041 -0.0110 -0.0110 0.4020 0.4020 1.0608 1.0608 2.0963 2.0963 2.2301 2.2301 2.4793 2.4793 2.5064 2.5064 2.8766 2.8766 3.0194 3.0194 3.3447 3.3447 4.4730 4.4730 5.0127 5.0127 5.1359 5.1359 12.0994 12.0994 12.3251 12.3251 12.5188 12.5188 13.2354 13.2354 13.3178 13.3178 k =-0.5000 0.3093 0.1468 ( 4322 PWs) bands (ev): -13.6315 -13.6315 -13.4574 -13.4574 -11.4148 -11.4148 -9.0590 -9.0590 -8.9924 -8.9924 -8.7623 -8.7623 -3.3653 -3.3653 -2.0616 -2.0616 -1.8442 -1.8442 -1.5450 -1.5450 -0.8261 -0.8261 -0.0681 -0.0681 0.3623 0.3623 1.0494 1.0494 2.0888 2.0888 2.2286 2.2286 2.4845 2.4845 2.4998 2.4998 2.9247 2.9247 3.0173 3.0173 3.3318 3.3318 4.4814 4.4814 5.0182 5.0182 5.1548 5.1548 12.0802 12.0802 12.3136 12.3136 12.5335 12.5335 13.2154 13.2154 13.3802 13.3802 k =-0.5000 0.3093 0.1305 ( 4314 PWs) bands (ev): -13.6336 -13.6336 -13.4560 -13.4560 -11.4316 -11.4316 -9.0190 -9.0190 -8.9961 -8.9961 -8.7615 -8.7615 -3.4143 -3.4143 -2.0166 -2.0166 -1.7983 -1.7983 -1.5394 -1.5394 -0.8454 -0.8454 -0.1236 -0.1236 0.3230 0.3230 1.0391 1.0391 2.0825 2.0825 2.2278 2.2278 2.4652 2.4652 2.5181 2.5181 2.9678 2.9678 3.0155 3.0155 3.3201 3.3201 4.4888 4.4888 5.0233 5.0233 5.1728 5.1728 12.0630 12.0630 12.3028 12.3028 12.5506 12.5506 13.1964 13.1964 13.3829 13.3829 k =-0.5000 0.3093 0.1142 ( 4318 PWs) bands (ev): -13.6355 -13.6355 -13.4547 -13.4547 -11.4465 -11.4465 -8.9995 -8.9995 -8.9828 -8.9828 -8.7608 -8.7608 -3.4588 -3.4588 -1.9733 -1.9733 -1.7551 -1.7551 -1.5346 -1.5346 -0.8622 -0.8622 -0.1766 -0.1766 0.2851 0.2851 1.0299 1.0299 2.0773 2.0773 2.2274 2.2274 2.4480 2.4480 2.5345 2.5345 3.0057 3.0057 3.0140 3.0140 3.3096 3.3096 4.4951 4.4951 5.0278 5.0278 5.1896 5.1896 12.0477 12.0477 12.2928 12.2928 12.5700 12.5700 13.1787 13.1787 13.3193 13.3193 k =-0.5000 0.3093 0.0979 ( 4318 PWs) bands (ev): -13.6372 -13.6372 -13.4536 -13.4536 -11.4594 -11.4594 -9.0023 -9.0023 -8.9508 -8.9508 -8.7602 -8.7602 -3.4983 -3.4983 -1.9326 -1.9326 -1.7152 -1.7152 -1.5304 -1.5304 -0.8765 -0.8765 -0.2260 -0.2260 0.2495 0.2495 1.0219 1.0219 2.0732 2.0732 2.2275 2.2275 2.4330 2.4330 2.5489 2.5489 3.0124 3.0124 3.0387 3.0387 3.3003 3.3003 4.5004 4.5004 5.0319 5.0319 5.2049 5.2049 12.0344 12.0344 12.2839 12.2839 12.5914 12.5914 13.1625 13.1625 13.2586 13.2586 k =-0.5000 0.3093 0.0816 ( 4330 PWs) bands (ev): -13.6386 -13.6386 -13.4527 -13.4527 -11.4703 -11.4703 -9.0048 -9.0048 -8.9231 -8.9231 -8.7598 -8.7598 -3.5324 -3.5324 -1.8955 -1.8955 -1.6795 -1.6795 -1.5269 -1.5269 -0.8886 -0.8886 -0.2708 -0.2708 0.2170 0.2170 1.0151 1.0151 2.0700 2.0700 2.2277 2.2277 2.4202 2.4202 2.5612 2.5612 3.0112 3.0112 3.0665 3.0665 3.2923 3.2923 4.5048 4.5048 5.0353 5.0353 5.2184 5.2184 12.0231 12.0231 12.2762 12.2762 12.6145 12.6145 13.1480 13.1480 13.2019 13.2019 k =-0.5000 0.3093 0.0652 ( 4342 PWs) bands (ev): -13.6397 -13.6397 -13.4520 -13.4520 -11.4793 -11.4793 -9.0069 -9.0069 -8.9002 -8.9002 -8.7594 -8.7594 -3.5608 -3.5608 -1.8630 -1.8630 -1.6488 -1.6488 -1.5241 -1.5241 -0.8983 -0.8983 -0.3098 -0.3098 0.1887 0.1887 1.0096 1.0096 2.0677 2.0677 2.2281 2.2281 2.4097 2.4097 2.5714 2.5714 3.0101 3.0101 3.0892 3.0892 3.2857 3.2857 4.5084 4.5084 5.0382 5.0382 5.2299 5.2299 12.0138 12.0138 12.2698 12.2698 12.6383 12.6383 13.1335 13.1335 13.1522 13.1522 k =-0.5000 0.3093 0.0489 ( 4330 PWs) bands (ev): -13.6407 -13.6407 -13.4514 -13.4514 -11.4863 -11.4863 -9.0084 -9.0084 -8.8821 -8.8821 -8.7591 -8.7591 -3.5832 -3.5832 -1.8361 -1.8361 -1.6238 -1.6238 -1.5218 -1.5218 -0.9058 -0.9058 -0.3418 -0.3418 0.1655 0.1655 1.0052 1.0052 2.0660 2.0660 2.2286 2.2286 2.4014 2.4014 2.5793 2.5793 3.0093 3.0093 3.1068 3.1068 3.2805 3.2805 4.5111 4.5111 5.0404 5.0404 5.2391 5.2391 12.0066 12.0066 12.2649 12.2649 12.6616 12.6616 13.1008 13.1008 13.1298 13.1298 k =-0.5000 0.3093 0.0326 ( 4326 PWs) bands (ev): -13.6413 -13.6413 -13.4510 -13.4510 -11.4912 -11.4912 -9.0096 -9.0096 -8.8690 -8.8690 -8.7589 -8.7589 -3.5994 -3.5994 -1.8160 -1.8160 -1.6054 -1.6054 -1.5202 -1.5202 -0.9112 -0.9112 -0.3656 -0.3656 0.1483 0.1483 1.0021 1.0021 2.0649 2.0649 2.2289 2.2289 2.3955 2.3955 2.5850 2.5850 3.0087 3.0087 3.1194 3.1194 3.2768 3.2768 4.5130 4.5130 5.0420 5.0420 5.2458 5.2458 12.0015 12.0015 12.2613 12.2613 12.6821 12.6821 13.0652 13.0652 13.1218 13.1218 k =-0.5000 0.3093 0.0163 ( 4324 PWs) bands (ev): -13.6417 -13.6417 -13.4507 -13.4507 -11.4942 -11.4942 -9.0103 -9.0103 -8.8611 -8.8611 -8.7588 -8.7588 -3.6092 -3.6092 -1.8035 -1.8035 -1.5941 -1.5941 -1.5193 -1.5193 -0.9144 -0.9144 -0.3803 -0.3803 0.1376 0.1376 1.0002 1.0002 2.0642 2.0642 2.2292 2.2292 2.3919 2.3919 2.5885 2.5885 3.0084 3.0084 3.1269 3.1269 3.2745 3.2745 4.5142 4.5142 5.0430 5.0430 5.2499 5.2499 11.9984 11.9984 12.2592 12.2592 12.6968 12.6968 13.0410 13.0410 13.1174 13.1174 k =-0.5000 0.3093 0.0000 ( 4326 PWs) bands (ev): -13.6418 -13.6418 -13.4506 -13.4506 -11.4952 -11.4952 -9.0105 -9.0105 -8.8585 -8.8585 -8.7588 -8.7588 -3.6125 -3.6125 -1.7993 -1.7993 -1.5902 -1.5902 -1.5190 -1.5190 -0.9154 -0.9154 -0.3853 -0.3853 0.1340 0.1340 0.9996 0.9996 2.0640 2.0640 2.2292 2.2292 2.3907 2.3907 2.5896 2.5896 3.0082 3.0082 3.1294 3.1294 3.2738 3.2738 4.5146 4.5146 5.0433 5.0433 5.2512 5.2512 11.9973 11.9973 12.2584 12.2584 12.7022 12.7022 13.0323 13.0323 13.1159 13.1159 k = 0.0000 0.0000 0.5383 ( 4356 PWs) bands (ev): -13.6630 -13.6630 -13.6630 -13.6630 -10.0671 -10.0671 -10.0671 -10.0671 -8.8398 -8.8398 -8.8398 -8.8398 -4.0997 -4.0997 -4.0997 -4.0997 -0.6181 -0.6181 -0.6181 -0.6181 -0.1171 -0.1171 -0.1171 -0.1171 0.7182 0.7182 0.7182 0.7182 1.9411 1.9411 1.9411 1.9411 2.4740 2.4740 2.4740 2.4740 3.5257 3.5257 3.5257 3.5257 4.0377 4.0377 4.0377 4.0377 5.2897 5.2897 5.2897 5.2897 11.4279 11.4279 11.4279 11.4279 12.0112 12.0112 12.0112 12.0112 12.8713 12.8713 k =-0.0139 0.0086 0.5383 ( 4360 PWs) bands (ev): -13.6628 -13.6628 -13.6628 -13.6628 -10.0680 -10.0680 -10.0679 -10.0679 -8.8398 -8.8398 -8.8397 -8.8397 -4.0981 -4.0981 -4.0978 -4.0978 -0.6208 -0.6208 -0.6206 -0.6206 -0.1151 -0.1151 -0.1148 -0.1148 0.7193 0.7193 0.7194 0.7194 1.9376 1.9376 1.9379 1.9379 2.4766 2.4766 2.4770 2.4770 3.5248 3.5248 3.5249 3.5249 4.0363 4.0363 4.0365 4.0365 5.2894 5.2894 5.2895 5.2895 11.4275 11.4275 11.4278 11.4278 12.0133 12.0133 12.0140 12.0140 12.8717 12.8717 k =-0.0278 0.0172 0.5383 ( 4368 PWs) bands (ev): -13.6621 -13.6621 -13.6621 -13.6621 -10.0705 -10.0705 -10.0704 -10.0704 -8.8397 -8.8397 -8.8394 -8.8394 -4.0931 -4.0931 -4.0925 -4.0925 -0.6287 -0.6287 -0.6283 -0.6283 -0.1090 -0.1090 -0.1085 -0.1085 0.7227 0.7227 0.7230 0.7230 1.9274 1.9274 1.9281 1.9281 2.4846 2.4846 2.4853 2.4853 3.5223 3.5223 3.5225 3.5225 4.0321 4.0321 4.0326 4.0326 5.2888 5.2888 5.2888 5.2888 11.4265 11.4265 11.4271 11.4271 12.0202 12.0202 12.0215 12.0215 12.8730 12.8730 k =-0.0417 0.0258 0.5383 ( 4352 PWs) bands (ev): -13.6610 -13.6610 -13.6610 -13.6610 -10.0747 -10.0747 -10.0745 -10.0745 -8.8395 -8.8395 -8.8391 -8.8391 -4.0847 -4.0847 -4.0838 -4.0838 -0.6413 -0.6413 -0.6408 -0.6408 -0.0990 -0.0990 -0.0983 -0.0983 0.7284 0.7284 0.7288 0.7288 1.9113 1.9113 1.9122 1.9122 2.4973 2.4973 2.4984 2.4984 3.5182 3.5182 3.5185 3.5185 4.0255 4.0255 4.0261 4.0261 5.2877 5.2877 5.2877 5.2877 11.4253 11.4253 11.4261 11.4261 12.0318 12.0318 12.0338 12.0338 12.8751 12.8752 k =-0.0556 0.0344 0.5383 ( 4346 PWs) bands (ev): -13.6595 -13.6595 -13.6594 -13.6594 -10.0804 -10.0804 -10.0802 -10.0802 -8.8393 -8.8393 -8.8388 -8.8388 -4.0728 -4.0728 -4.0718 -4.0718 -0.6584 -0.6584 -0.6577 -0.6577 -0.0856 -0.0856 -0.0847 -0.0847 0.7363 0.7363 0.7369 0.7369 1.8899 1.8899 1.8910 1.8910 2.5140 2.5140 2.5154 2.5154 3.5125 3.5125 3.5128 3.5128 4.0164 4.0164 4.0172 4.0172 5.2860 5.2860 5.2861 5.2861 11.4239 11.4239 11.4250 11.4250 12.0477 12.0477 12.0502 12.0502 12.8782 12.8782 k =-0.0694 0.0430 0.5383 ( 4338 PWs) bands (ev): -13.6575 -13.6575 -13.6574 -13.6574 -10.0877 -10.0877 -10.0875 -10.0875 -8.8389 -8.8389 -8.8383 -8.8383 -4.0577 -4.0577 -4.0564 -4.0564 -0.6794 -0.6794 -0.6786 -0.6786 -0.0692 -0.0692 -0.0681 -0.0681 0.7464 0.7464 0.7471 0.7471 1.8642 1.8642 1.8655 1.8655 2.5338 2.5338 2.5355 2.5355 3.5052 3.5052 3.5056 3.5056 4.0052 4.0052 4.0063 4.0063 5.2837 5.2837 5.2837 5.2837 11.4227 11.4227 11.4240 11.4240 12.0674 12.0674 12.0706 12.0706 12.8820 12.8820 k =-0.0833 0.0515 0.5383 ( 4342 PWs) bands (ev): -13.6551 -13.6551 -13.6550 -13.6550 -10.0965 -10.0965 -10.0962 -10.0962 -8.8385 -8.8385 -8.8378 -8.8378 -4.0392 -4.0392 -4.0376 -4.0376 -0.7039 -0.7039 -0.7030 -0.7030 -0.0502 -0.0502 -0.0490 -0.0490 0.7586 0.7586 0.7594 0.7594 1.8348 1.8348 1.8362 1.8362 2.5558 2.5558 2.5577 2.5577 3.4962 3.4962 3.4967 3.4967 3.9922 3.9922 3.9934 3.9934 5.2805 5.2805 5.2805 5.2805 11.4219 11.4219 11.4235 11.4235 12.0907 12.0907 12.0944 12.0944 12.8866 12.8866 k =-0.0972 0.0601 0.5383 ( 4338 PWs) bands (ev): -13.6523 -13.6523 -13.6522 -13.6522 -10.1066 -10.1066 -10.1064 -10.1064 -8.8381 -8.8381 -8.8373 -8.8373 -4.0175 -4.0175 -4.0157 -4.0157 -0.7315 -0.7315 -0.7304 -0.7304 -0.0291 -0.0291 -0.0277 -0.0277 0.7728 0.7728 0.7738 0.7738 1.8024 1.8024 1.8040 1.8040 2.5794 2.5794 2.5815 2.5815 3.4856 3.4856 3.4862 3.4862 3.9776 3.9776 3.9791 3.9791 5.2763 5.2763 5.2764 5.2764 11.4219 11.4219 11.4236 11.4236 12.1169 12.1169 12.1212 12.1212 12.8920 12.8920 k =-0.1111 0.0687 0.5383 ( 4338 PWs) bands (ev): -13.6491 -13.6491 -13.6490 -13.6490 -10.1181 -10.1181 -10.1178 -10.1178 -8.8377 -8.8377 -8.8367 -8.8367 -3.9926 -3.9926 -3.9906 -3.9906 -0.7617 -0.7617 -0.7606 -0.7606 -0.0060 -0.0060 -0.0046 -0.0046 0.7890 0.7890 0.7901 0.7901 1.7677 1.7677 1.7694 1.7694 2.6039 2.6039 2.6062 2.6062 3.4735 3.4735 3.4742 3.4742 3.9619 3.9619 3.9636 3.9636 5.2711 5.2711 5.2712 5.2712 11.4228 11.4228 11.4246 11.4246 12.1457 12.1457 12.1506 12.1506 12.8981 12.8981 k =-0.1250 0.0773 0.5383 ( 4342 PWs) bands (ev): -13.6456 -13.6456 -13.6454 -13.6454 -10.1307 -10.1307 -10.1304 -10.1304 -8.8372 -8.8372 -8.8362 -8.8362 -3.9646 -3.9646 -3.9623 -3.9623 -0.7944 -0.7944 -0.7931 -0.7931 0.0186 0.0186 0.0201 0.0201 0.8070 0.8070 0.8082 0.8082 1.7310 1.7310 1.7328 1.7328 2.6287 2.6287 2.6311 2.6311 3.4600 3.4600 3.4606 3.4606 3.9455 3.9455 3.9473 3.9473 5.2647 5.2647 5.2648 5.2648 11.4248 11.4248 11.4267 11.4267 12.1765 12.1765 12.1819 12.1819 12.9049 12.9049 k =-0.1389 0.0859 0.5383 ( 4340 PWs) bands (ev): -13.6417 -13.6417 -13.6415 -13.6415 -10.1444 -10.1444 -10.1441 -10.1441 -8.8368 -8.8368 -8.8357 -8.8357 -3.9336 -3.9336 -3.9311 -3.9311 -0.8292 -0.8292 -0.8279 -0.8279 0.0445 0.0445 0.0461 0.0461 0.8267 0.8267 0.8280 0.8280 1.6928 1.6928 1.6947 1.6947 2.6532 2.6532 2.6558 2.6558 3.4449 3.4449 3.4457 3.4457 3.9286 3.9286 3.9307 3.9307 5.2570 5.2570 5.2572 5.2572 11.4280 11.4280 11.4300 11.4300 12.2089 12.2089 12.2149 12.2149 12.9126 12.9126 k =-0.1528 0.0945 0.5383 ( 4334 PWs) bands (ev): -13.6375 -13.6375 -13.6373 -13.6373 -10.1591 -10.1591 -10.1587 -10.1587 -8.8364 -8.8364 -8.8352 -8.8352 -3.8996 -3.8996 -3.8969 -3.8969 -0.8660 -0.8660 -0.8646 -0.8646 0.0715 0.0715 0.0732 0.0732 0.8481 0.8481 0.8495 0.8495 1.6534 1.6534 1.6554 1.6554 2.6771 2.6771 2.6798 2.6798 3.4286 3.4286 3.4294 3.4294 3.9118 3.9118 3.9140 3.9140 5.2479 5.2479 5.2482 5.2482 11.4326 11.4326 11.4346 11.4346 12.2425 12.2425 12.2491 12.2491 12.9210 12.9210 k =-0.1667 0.1031 0.5383 ( 4336 PWs) bands (ev): -13.6330 -13.6330 -13.6328 -13.6328 -10.1745 -10.1745 -10.1741 -10.1741 -8.8360 -8.8360 -8.8348 -8.8348 -3.8628 -3.8628 -3.8600 -3.8600 -0.9046 -0.9046 -0.9031 -0.9031 0.0995 0.0995 0.1011 0.1011 0.8711 0.8711 0.8726 0.8726 1.6132 1.6132 1.6152 1.6152 2.6998 2.6998 2.7027 2.7027 3.4111 3.4111 3.4120 3.4120 3.8953 3.8953 3.8976 3.8976 5.2375 5.2375 5.2378 5.2378 11.4384 11.4384 11.4405 11.4405 12.2768 12.2768 12.2839 12.2839 12.9304 12.9305 k =-0.1806 0.1117 0.5383 ( 4338 PWs) bands (ev): -13.6283 -13.6283 -13.6280 -13.6280 -10.1907 -10.1907 -10.1903 -10.1903 -8.8357 -8.8357 -8.8345 -8.8345 -3.8233 -3.8233 -3.8203 -3.8203 -0.9449 -0.9449 -0.9433 -0.9433 0.1281 0.1281 0.1298 0.1298 0.8955 0.8955 0.8971 0.8971 1.5724 1.5724 1.5745 1.5745 2.7209 2.7209 2.7239 2.7239 3.3926 3.3926 3.3936 3.3936 3.8795 3.8795 3.8819 3.8819 5.2256 5.2256 5.2260 5.2260 11.4456 11.4456 11.4477 11.4477 12.3112 12.3112 12.3188 12.3188 12.9411 12.9411 k =-0.1944 0.1203 0.5383 ( 4340 PWs) bands (ev): -13.6233 -13.6233 -13.6230 -13.6230 -10.2074 -10.2074 -10.2070 -10.2070 -8.8355 -8.8355 -8.8343 -8.8343 -3.7813 -3.7813 -3.7781 -3.7781 -0.9868 -0.9868 -0.9851 -0.9851 0.1573 0.1573 0.1590 0.1590 0.9212 0.9212 0.9229 0.9229 1.5314 1.5314 1.5337 1.5337 2.7398 2.7398 2.7429 2.7429 3.3733 3.3733 3.3744 3.3744 3.8648 3.8648 3.8673 3.8673 5.2123 5.2123 5.2128 5.2128 11.4539 11.4539 11.4561 11.4561 12.3454 12.3454 12.3535 12.3535 12.9531 12.9531 k =-0.2083 0.1289 0.5383 ( 4340 PWs) bands (ev): -13.6181 -13.6181 -13.6179 -13.6179 -10.2246 -10.2246 -10.2241 -10.2241 -8.8354 -8.8354 -8.8341 -8.8341 -3.7367 -3.7367 -3.7334 -3.7334 -1.0301 -1.0301 -1.0284 -1.0284 0.1868 0.1868 0.1885 0.1885 0.9479 0.9479 0.9499 0.9499 1.4907 1.4907 1.4930 1.4930 2.7561 2.7561 2.7593 2.7593 3.3536 3.3536 3.3548 3.3548 3.8514 3.8514 3.8539 3.8539 5.1977 5.1977 5.1983 5.1983 11.4634 11.4634 11.4656 11.4656 12.3786 12.3786 12.3873 12.3873 12.9669 12.9669 k =-0.2222 0.1375 0.5383 ( 4328 PWs) bands (ev): -13.6128 -13.6128 -13.6125 -13.6125 -10.2420 -10.2420 -10.2416 -10.2416 -8.8353 -8.8353 -8.8340 -8.8340 -3.6898 -3.6898 -3.6863 -3.6863 -1.0749 -1.0749 -1.0731 -1.0731 0.2165 0.2165 0.2183 0.2183 0.9755 0.9755 0.9776 0.9776 1.4507 1.4507 1.4531 1.4531 2.7692 2.7692 2.7726 2.7726 3.3337 3.3337 3.3351 3.3351 3.8396 3.8396 3.8422 3.8422 5.1818 5.1818 5.1825 5.1825 11.4739 11.4739 11.4762 11.4762 12.4106 12.4106 12.4197 12.4197 12.9828 12.9828 k =-0.2361 0.1461 0.5383 ( 4328 PWs) bands (ev): -13.6074 -13.6074 -13.6071 -13.6071 -10.2596 -10.2596 -10.2592 -10.2592 -8.8353 -8.8353 -8.8341 -8.8341 -3.6407 -3.6407 -3.6371 -3.6371 -1.1210 -1.1210 -1.1191 -1.1191 0.2462 0.2462 0.2480 0.2480 1.0033 1.0033 1.0056 1.0056 1.4120 1.4120 1.4146 1.4146 2.7787 2.7787 2.7821 2.7821 3.3140 3.3140 3.3155 3.3155 3.8297 3.8297 3.8322 3.8322 5.1648 5.1648 5.1656 5.1656 11.4853 11.4853 11.4876 11.4876 12.4405 12.4405 12.4501 12.4501 13.0011 13.0011 k =-0.2500 0.1546 0.5383 ( 4324 PWs) bands (ev): -13.6019 -13.6019 -13.6016 -13.6016 -10.2772 -10.2772 -10.2768 -10.2768 -8.8355 -8.8355 -8.8342 -8.8342 -3.5896 -3.5896 -3.5859 -3.5859 -1.1684 -1.1684 -1.1664 -1.1664 0.2758 0.2758 0.2776 0.2776 1.0305 1.0305 1.0331 1.0331 1.3759 1.3759 1.3787 1.3787 2.7839 2.7839 2.7874 2.7874 3.2949 3.2949 3.2967 3.2967 3.8218 3.8218 3.8242 3.8242 5.1468 5.1468 5.1477 5.1477 11.4973 11.4973 11.4997 11.4997 12.4682 12.4682 12.4780 12.4780 13.0223 13.0223 k =-0.2639 0.1632 0.5383 ( 4328 PWs) bands (ev): -13.5963 -13.5963 -13.5960 -13.5960 -10.2948 -10.2948 -10.2943 -10.2943 -8.8356 -8.8356 -8.8344 -8.8344 -3.5366 -3.5366 -3.5328 -3.5328 -1.2170 -1.2170 -1.2150 -1.2150 0.3050 0.3050 0.3068 0.3068 1.0554 1.0554 1.0583 1.0583 1.3441 1.3441 1.3470 1.3470 2.7845 2.7845 2.7880 2.7880 3.2768 3.2768 3.2788 3.2788 3.8160 3.8160 3.8184 3.8184 5.1278 5.1278 5.1288 5.1288 11.5100 11.5100 11.5124 11.5124 12.4930 12.4930 12.5032 12.5032 13.0465 13.0465 k =-0.2778 0.1718 0.5383 ( 4328 PWs) bands (ev): -13.5908 -13.5908 -13.5905 -13.5905 -10.3120 -10.3120 -10.3116 -10.3116 -8.8359 -8.8359 -8.8347 -8.8347 -3.4819 -3.4819 -3.4781 -3.4781 -1.2668 -1.2668 -1.2646 -1.2646 0.3338 0.3338 0.3356 0.3356 1.0752 1.0752 1.0784 1.0784 1.3196 1.3196 1.3228 1.3228 2.7800 2.7800 2.7835 2.7835 3.2601 3.2601 3.2622 3.2622 3.8125 3.8125 3.8148 3.8148 5.1082 5.1082 5.1093 5.1093 11.5230 11.5230 11.5254 11.5254 12.5149 12.5149 12.5252 12.5252 13.0739 13.0739 k =-0.2917 0.1804 0.5383 ( 4336 PWs) bands (ev): -13.5853 -13.5853 -13.5850 -13.5850 -10.3290 -10.3290 -10.3286 -10.3286 -8.8363 -8.8363 -8.8351 -8.8351 -3.4257 -3.4257 -3.4218 -3.4218 -1.3176 -1.3176 -1.3154 -1.3154 0.3619 0.3619 0.3637 0.3637 1.0855 1.0855 1.0889 1.0889 1.3072 1.3072 1.3103 1.3103 2.7704 2.7704 2.7739 2.7739 3.2449 3.2449 3.2471 3.2471 3.8113 3.8113 3.8135 3.8135 5.0881 5.0881 5.0893 5.0893 11.5363 11.5363 11.5387 11.5387 12.5337 12.5337 12.5440 12.5440 13.1042 13.1042 k =-0.3056 0.1890 0.5383 ( 4336 PWs) bands (ev): -13.5799 -13.5799 -13.5796 -13.5796 -10.3455 -10.3455 -10.3450 -10.3450 -8.8366 -8.8366 -8.8355 -8.8355 -3.3682 -3.3682 -3.3643 -3.3643 -1.3694 -1.3694 -1.3671 -1.3671 0.3893 0.3893 0.3911 0.3911 1.0828 1.0828 1.0861 1.0861 1.3106 1.3106 1.3134 1.3134 2.7556 2.7556 2.7590 2.7590 3.2313 3.2313 3.2336 3.2336 3.8122 3.8122 3.8143 3.8143 5.0677 5.0677 5.0689 5.0689 11.5497 11.5497 11.5521 11.5521 12.5496 12.5496 12.5598 12.5598 13.1372 13.1372 k =-0.3194 0.1976 0.5383 ( 4328 PWs) bands (ev): -13.5746 -13.5746 -13.5743 -13.5743 -10.3613 -10.3613 -10.3609 -10.3609 -8.8371 -8.8371 -8.8360 -8.8360 -3.3097 -3.3097 -3.3057 -3.3057 -1.4221 -1.4221 -1.4197 -1.4197 0.4158 0.4158 0.4177 0.4177 1.0678 1.0678 1.0708 1.0708 1.3289 1.3289 1.3312 1.3312 2.7359 2.7359 2.7391 2.7391 3.2194 3.2194 3.2217 3.2217 3.8151 3.8151 3.8171 3.8171 5.0472 5.0472 5.0484 5.0484 11.5630 11.5630 11.5654 11.5654 12.5627 12.5627 12.5728 12.5728 13.1723 13.1723 k =-0.3333 0.2062 0.5383 ( 4320 PWs) bands (ev): -13.5695 -13.5695 -13.5693 -13.5693 -10.3765 -10.3765 -10.3761 -10.3761 -8.8375 -8.8375 -8.8366 -8.8366 -3.2503 -3.2503 -3.2463 -3.2463 -1.4754 -1.4754 -1.4730 -1.4730 0.4415 0.4415 0.4434 0.4434 1.0447 1.0447 1.0475 1.0475 1.3577 1.3577 1.3596 1.3596 2.7117 2.7117 2.7147 2.7147 3.2089 3.2089 3.2112 3.2112 3.8199 3.8199 3.8218 3.8218 5.0268 5.0268 5.0281 5.0281 11.5760 11.5760 11.5784 11.5784 12.5735 12.5735 12.5833 12.5833 13.2087 13.2087 k =-0.3472 0.2148 0.5383 ( 4324 PWs) bands (ev): -13.5647 -13.5647 -13.5644 -13.5644 -10.3909 -10.3909 -10.3905 -10.3905 -8.8380 -8.8380 -8.8371 -8.8371 -3.1904 -3.1904 -3.1864 -3.1864 -1.5294 -1.5294 -1.5268 -1.5268 0.4662 0.4662 0.4681 0.4681 1.0175 1.0175 1.0202 1.0202 1.3930 1.3930 1.3947 1.3947 2.6835 2.6835 2.6864 2.6864 3.1998 3.1998 3.2020 3.2020 3.8263 3.8263 3.8281 3.8281 5.0068 5.0068 5.0080 5.0080 11.5887 11.5887 11.5910 11.5910 12.5822 12.5822 12.5916 12.5916 13.2457 13.2457 k =-0.3611 0.2234 0.5383 ( 4324 PWs) bands (ev): -13.5600 -13.5600 -13.5598 -13.5598 -10.4043 -10.4043 -10.4040 -10.4040 -8.8385 -8.8385 -8.8377 -8.8377 -3.1303 -3.1303 -3.1264 -3.1264 -1.5836 -1.5836 -1.5810 -1.5810 0.4899 0.4899 0.4919 0.4919 0.9886 0.9886 0.9912 0.9912 1.4322 1.4322 1.4338 1.4338 2.6519 2.6519 2.6547 2.6547 3.1918 3.1918 3.1939 3.1939 3.8339 3.8339 3.8355 3.8355 4.9873 4.9873 4.9886 4.9886 11.6008 11.6008 11.6031 11.6031 12.5892 12.5892 12.5981 12.5981 13.2824 13.2824 k =-0.3750 0.2320 0.5383 ( 4342 PWs) bands (ev): -13.5557 -13.5557 -13.5555 -13.5555 -10.4168 -10.4168 -10.4165 -10.4165 -8.8390 -8.8390 -8.8383 -8.8383 -3.0705 -3.0705 -3.0666 -3.0666 -1.6378 -1.6378 -1.6352 -1.6352 0.5126 0.5126 0.5146 0.5146 0.9595 0.9595 0.9620 0.9620 1.4737 1.4737 1.4752 1.4752 2.6178 2.6178 2.6203 2.6203 3.1847 3.1847 3.1866 3.1866 3.8424 3.8424 3.8439 3.8439 4.9687 4.9687 4.9699 4.9699 11.6123 11.6123 11.6144 11.6144 12.5949 12.5949 12.6032 12.6032 13.3176 13.3176 k =-0.3889 0.2406 0.5383 ( 4346 PWs) bands (ev): -13.5518 -13.5518 -13.5516 -13.5516 -10.4282 -10.4282 -10.4279 -10.4279 -8.8395 -8.8395 -8.8388 -8.8388 -3.0114 -3.0114 -3.0076 -3.0076 -1.6915 -1.6915 -1.6889 -1.6889 0.5342 0.5342 0.5363 0.5363 0.9309 0.9309 0.9333 0.9333 1.5164 1.5164 1.5178 1.5178 2.5818 2.5818 2.5842 2.5842 3.1785 3.1785 3.1802 3.1802 3.8514 3.8514 3.8527 3.8527 4.9512 4.9512 4.9523 4.9523 11.6229 11.6229 11.6250 11.6250 12.5995 12.5995 12.6071 12.6071 13.3504 13.3504 k =-0.4028 0.2492 0.5383 ( 4354 PWs) bands (ev): -13.5482 -13.5482 -13.5480 -13.5480 -10.4385 -10.4385 -10.4382 -10.4382 -8.8400 -8.8400 -8.8393 -8.8393 -2.9536 -2.9536 -2.9501 -2.9501 -1.7443 -1.7443 -1.7417 -1.7417 0.5549 0.5549 0.5570 0.5570 0.9033 0.9033 0.9058 0.9058 1.5592 1.5592 1.5606 1.5606 2.5448 2.5448 2.5470 2.5470 3.1730 3.1730 3.1746 3.1746 3.8605 3.8605 3.8617 3.8617 4.9350 4.9350 4.9360 4.9360 11.6327 11.6327 11.6346 11.6346 12.6032 12.6032 12.6101 12.6101 13.3797 13.3797 k =-0.4167 0.2577 0.5383 ( 4350 PWs) bands (ev): -13.5450 -13.5450 -13.5448 -13.5448 -10.4475 -10.4475 -10.4473 -10.4473 -8.8404 -8.8404 -8.8398 -8.8398 -2.8981 -2.8981 -2.8947 -2.8947 -1.7953 -1.7953 -1.7928 -1.7928 0.5746 0.5746 0.5766 0.5766 0.8773 0.8773 0.8796 0.8796 1.6012 1.6012 1.6026 1.6026 2.5078 2.5078 2.5098 2.5098 3.1683 3.1683 3.1696 3.1696 3.8693 3.8693 3.8704 3.8704 4.9203 4.9203 4.9213 4.9213 11.6414 11.6414 11.6431 11.6431 12.6063 12.6063 12.6124 12.6124 13.4048 13.4048 k =-0.4306 0.2663 0.5383 ( 4354 PWs) bands (ev): -13.5422 -13.5422 -13.5421 -13.5421 -10.4552 -10.4552 -10.4550 -10.4550 -8.8407 -8.8407 -8.8403 -8.8403 -2.8458 -2.8458 -2.8428 -2.8428 -1.8435 -1.8435 -1.8412 -1.8412 0.5931 0.5931 0.5951 0.5951 0.8530 0.8530 0.8553 0.8553 1.6414 1.6414 1.6426 1.6426 2.4719 2.4719 2.4737 2.4737 3.1642 3.1642 3.1654 3.1654 3.8775 3.8775 3.8784 3.8784 4.9075 4.9075 4.9083 4.9083 11.6490 11.6490 11.6505 11.6505 12.6089 12.6089 12.6141 12.6141 13.4251 13.4251 k =-0.4444 0.2749 0.5383 ( 4364 PWs) bands (ev): -13.5400 -13.5400 -13.5399 -13.5399 -10.4616 -10.4616 -10.4615 -10.4615 -8.8410 -8.8410 -8.8406 -8.8406 -2.7983 -2.7983 -2.7956 -2.7956 -1.8876 -1.8876 -1.8855 -1.8855 0.6104 0.6104 0.6123 0.6123 0.8309 0.8309 0.8330 0.8330 1.6782 1.6782 1.6794 1.6794 2.4385 2.4385 2.4401 2.4401 3.1609 3.1609 3.1619 3.1619 3.8848 3.8848 3.8855 3.8855 4.8966 4.8966 4.8973 4.8973 11.6554 11.6554 11.6566 11.6566 12.6110 12.6110 12.6153 12.6153 13.4405 13.4405 k =-0.4583 0.2835 0.5383 ( 4368 PWs) bands (ev): -13.5382 -13.5382 -13.5381 -13.5381 -10.4666 -10.4666 -10.4665 -10.4665 -8.8412 -8.8412 -8.8410 -8.8410 -2.7573 -2.7573 -2.7551 -2.7551 -1.9256 -1.9256 -1.9238 -1.9238 0.6260 0.6260 0.6277 0.6277 0.8116 0.8116 0.8134 0.8134 1.7101 1.7101 1.7111 1.7111 2.4094 2.4094 2.4106 2.4106 3.1583 3.1583 3.1591 3.1591 3.8908 3.8908 3.8913 3.8913 4.8880 4.8880 4.8885 4.8885 11.6605 11.6605 11.6614 11.6614 12.6128 12.6128 12.6160 12.6160 13.4515 13.4515 k =-0.4722 0.2921 0.5383 ( 4372 PWs) bands (ev): -13.5368 -13.5368 -13.5368 -13.5368 -10.4702 -10.4702 -10.4702 -10.4702 -8.8414 -8.8414 -8.8412 -8.8412 -2.7252 -2.7252 -2.7237 -2.7237 -1.9553 -1.9553 -1.9540 -1.9540 0.6391 0.6391 0.6404 0.6404 0.7959 0.7959 0.7974 0.7974 1.7352 1.7352 1.7359 1.7359 2.3864 2.3864 2.3873 2.3873 3.1565 3.1565 3.1570 3.1570 3.8953 3.8953 3.8956 3.8956 4.8817 4.8817 4.8821 4.8821 11.6642 11.6642 11.6649 11.6649 12.6142 12.6142 12.6164 12.6164 13.4588 13.4588 k =-0.4861 0.3007 0.5383 ( 4372 PWs) bands (ev): -13.5361 -13.5361 -13.5360 -13.5360 -10.4724 -10.4724 -10.4724 -10.4724 -8.8415 -8.8415 -8.8414 -8.8414 -2.7044 -2.7044 -2.7036 -2.7036 -1.9743 -1.9743 -1.9736 -1.9736 0.6483 0.6483 0.6491 0.6491 0.7855 0.7855 0.7864 0.7864 1.7515 1.7515 1.7518 1.7518 2.3716 2.3716 2.3721 2.3721 3.1555 3.1555 3.1557 3.1557 3.8981 3.8981 3.8982 3.8982 4.8779 4.8779 4.8781 4.8781 11.6666 11.6666 11.6669 11.6669 12.6152 12.6152 12.6163 12.6163 13.4631 13.4631 k =-0.5000 0.3093 0.5383 ( 4376 PWs) bands (ev): -13.5358 -13.5358 -13.5358 -13.5358 -10.4731 -10.4731 -10.4731 -10.4731 -8.8414 -8.8414 -8.8414 -8.8414 -2.6969 -2.6969 -2.6969 -2.6969 -1.9807 -1.9807 -1.9807 -1.9807 0.6520 0.6520 0.6520 0.6520 0.7821 0.7821 0.7821 0.7821 1.7572 1.7572 1.7572 1.7572 2.3666 2.3666 2.3666 2.3666 3.1552 3.1552 3.1552 3.1552 3.8991 3.8991 3.8991 3.8991 4.8767 4.8767 4.8767 4.8767 11.6675 11.6675 11.6675 11.6675 12.6160 12.6160 12.6160 12.6160 13.4649 13.4649 Writing output data file Si2N2O.save init_run : 3.32s CPU 13.57s WALL ( 1 calls) electrons : 1238.54s CPU 1250.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1238.52s CPU 1250.03s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.21s CPU 0.67s WALL ( 1 calls) newd : 0.47s CPU 0.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 374 calls) cegterg : 1184.07s CPU 1192.62s WALL ( 1221 calls) Called by sum_band: Called by *egterg: h_psi : 423.05s CPU 436.24s WALL ( 23048 calls) s_psi : 67.45s CPU 67.62s WALL ( 23048 calls) g_psi : 0.91s CPU 1.00s WALL ( 21453 calls) cdiaghg : 535.91s CPU 531.85s WALL ( 21827 calls) cegterg:over : 88.07s CPU 84.18s WALL ( 21453 calls) cegterg:upda : 19.01s CPU 25.22s WALL ( 21453 calls) cegterg:last : 15.58s CPU 16.58s WALL ( 2727 calls) Called by h_psi: h_psi:vloc : 283.70s CPU 294.41s WALL ( 23048 calls) h_psi:vnl : 138.91s CPU 140.72s WALL ( 23048 calls) add_vuspsi : 49.60s CPU 56.54s WALL ( 23048 calls) General routines calbec : 89.21s CPU 83.94s WALL ( 23048 calls) fft : 0.45s CPU 1.11s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 267.13s CPU 273.33s WALL ( 1807000 calls) interpolate : 0.05s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.56s WALL ( 748 calls) Parallel routines fft_scatter : 168.82s CPU 173.51s WALL ( 1807023 calls) PWSCF : 21m47.07s CPU 23m19.45s WALL This run was terminated on: 17: 2:24 29Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=