Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:39:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgCNO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 32 10 1113 480 84 Max 58 33 11 1114 491 86 Sum 2027 1171 361 40103 17517 3045 bravais-lattice index = 14 lattice parameter (alat) = 8.8176 a.u. unit-cell volume = 401.6436 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 4 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.817617 celldm(2)= 1.000000 celldm(3)= 0.587216 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.068154 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.068154 0.997675 0.000000 ) a(3) = ( 0.000000 0.000000 0.587216 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.068313 -0.000000 ) b(2) = ( 0.000000 1.002331 -0.000000 ) b(3) = ( 0.000000 0.000000 1.702950 ) PseudoPot. # 1 for O read from file: /users/gautes/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 N read from file: /users/gautes/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 PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 504 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 2) = ( 0.0099595 0.0106631 -0.0000000), wk = 0.0019841 k( 3) = ( 0.0199190 0.0213262 -0.0000000), wk = 0.0019841 k( 4) = ( 0.0298786 0.0319893 -0.0000000), wk = 0.0019841 k( 5) = ( 0.0398381 0.0426524 -0.0000000), wk = 0.0019841 k( 6) = ( 0.0497976 0.0533155 -0.0000000), wk = 0.0019841 k( 7) = ( 0.0597571 0.0639785 -0.0000000), wk = 0.0019841 k( 8) = ( 0.0697166 0.0746416 -0.0000000), wk = 0.0019841 k( 9) = ( 0.0796761 0.0853047 -0.0000000), wk = 0.0019841 k( 10) = ( 0.0896356 0.0959678 -0.0000000), wk = 0.0019841 k( 11) = ( 0.0995951 0.1066309 -0.0000000), wk = 0.0019841 k( 12) = ( 0.1095547 0.1172940 -0.0000000), wk = 0.0019841 k( 13) = ( 0.1195142 0.1279571 -0.0000000), wk = 0.0019841 k( 14) = ( 0.1294737 0.1386202 -0.0000000), wk = 0.0019841 k( 15) = ( 0.1394332 0.1492833 -0.0000000), wk = 0.0019841 k( 16) = ( 0.1493927 0.1599464 -0.0000000), wk = 0.0019841 k( 17) = ( 0.1593522 0.1706095 -0.0000000), wk = 0.0019841 k( 18) = ( 0.1693118 0.1812726 -0.0000000), wk = 0.0019841 k( 19) = ( 0.1792713 0.1919356 -0.0000000), wk = 0.0019841 k( 20) = ( 0.1892308 0.2025987 -0.0000000), wk = 0.0019841 k( 21) = ( 0.1991903 0.2132618 -0.0000000), wk = 0.0019841 k( 22) = ( 0.2091498 0.2239249 -0.0000000), wk = 0.0019841 k( 23) = ( 0.2191093 0.2345880 -0.0000000), wk = 0.0019841 k( 24) = ( 0.2290688 0.2452511 -0.0000000), wk = 0.0019841 k( 25) = ( 0.2390284 0.2559142 -0.0000000), wk = 0.0019841 k( 26) = ( 0.2489879 0.2665773 -0.0000000), wk = 0.0019841 k( 27) = ( 0.2589474 0.2772404 -0.0000000), wk = 0.0019841 k( 28) = ( 0.2689069 0.2879035 -0.0000000), wk = 0.0019841 k( 29) = ( 0.2788664 0.2985666 -0.0000000), wk = 0.0019841 k( 30) = ( 0.2888259 0.3092297 -0.0000000), wk = 0.0019841 k( 31) = ( 0.2987855 0.3198928 -0.0000000), wk = 0.0019841 k( 32) = ( 0.3087450 0.3305558 -0.0000000), wk = 0.0019841 k( 33) = ( 0.3187045 0.3412189 -0.0000000), wk = 0.0019841 k( 34) = ( 0.3286640 0.3518820 -0.0000000), wk = 0.0019841 k( 35) = ( 0.3386235 0.3625451 -0.0000000), wk = 0.0019841 k( 36) = ( 0.3485830 0.3732082 -0.0000000), wk = 0.0019841 k( 37) = ( 0.3585426 0.3838713 -0.0000000), wk = 0.0019841 k( 38) = ( 0.3685021 0.3945344 -0.0000000), wk = 0.0019841 k( 39) = ( 0.3784616 0.4051975 -0.0000000), wk = 0.0019841 k( 40) = ( 0.3884211 0.4158606 -0.0000000), wk = 0.0019841 k( 41) = ( 0.3983806 0.4265237 -0.0000000), wk = 0.0019841 k( 42) = ( 0.4083401 0.4371868 -0.0000000), wk = 0.0019841 k( 43) = ( 0.4182996 0.4478499 -0.0000000), wk = 0.0019841 k( 44) = ( 0.4282592 0.4585129 -0.0000000), wk = 0.0019841 k( 45) = ( 0.4382187 0.4691760 -0.0000000), wk = 0.0019841 k( 46) = ( 0.4481782 0.4798391 -0.0000000), wk = 0.0019841 k( 47) = ( 0.4581377 0.4905022 -0.0000000), wk = 0.0019841 k( 48) = ( 0.4680972 0.5011653 -0.0000000), wk = 0.0019841 k( 49) = ( 0.4680972 0.5011653 -0.0000000), wk = 0.0019841 k( 50) = ( 0.4534692 0.5011653 -0.0000000), wk = 0.0019841 k( 51) = ( 0.4388411 0.5011653 -0.0000000), wk = 0.0019841 k( 52) = ( 0.4242131 0.5011653 -0.0000000), wk = 0.0019841 k( 53) = ( 0.4095851 0.5011653 -0.0000000), wk = 0.0019841 k( 54) = ( 0.3949570 0.5011653 -0.0000000), wk = 0.0019841 k( 55) = ( 0.3803290 0.5011653 -0.0000000), wk = 0.0019841 k( 56) = ( 0.3657010 0.5011653 -0.0000000), wk = 0.0019841 k( 57) = ( 0.3510729 0.5011653 -0.0000000), wk = 0.0019841 k( 58) = ( 0.3364449 0.5011653 -0.0000000), wk = 0.0019841 k( 59) = ( 0.3218168 0.5011653 -0.0000000), wk = 0.0019841 k( 60) = ( 0.3071888 0.5011653 -0.0000000), wk = 0.0019841 k( 61) = ( 0.2925608 0.5011653 -0.0000000), wk = 0.0019841 k( 62) = ( 0.2779327 0.5011653 -0.0000000), wk = 0.0019841 k( 63) = ( 0.2633047 0.5011653 -0.0000000), wk = 0.0019841 k( 64) = ( 0.2486766 0.5011653 -0.0000000), wk = 0.0019841 k( 65) = ( 0.2340486 0.5011653 -0.0000000), wk = 0.0019841 k( 66) = ( 0.2194206 0.5011653 -0.0000000), wk = 0.0019841 k( 67) = ( 0.2047925 0.5011653 -0.0000000), wk = 0.0019841 k( 68) = ( 0.1901645 0.5011653 -0.0000000), wk = 0.0019841 k( 69) = ( 0.1755365 0.5011653 -0.0000000), wk = 0.0019841 k( 70) = ( 0.1609084 0.5011653 -0.0000000), wk = 0.0019841 k( 71) = ( 0.1462804 0.5011653 -0.0000000), wk = 0.0019841 k( 72) = ( 0.1316523 0.5011653 -0.0000000), wk = 0.0019841 k( 73) = ( 0.1170243 0.5011653 -0.0000000), wk = 0.0019841 k( 74) = ( 0.1023963 0.5011653 -0.0000000), wk = 0.0019841 k( 75) = ( 0.0877682 0.5011653 -0.0000000), wk = 0.0019841 k( 76) = ( 0.0731402 0.5011653 -0.0000000), wk = 0.0019841 k( 77) = ( 0.0585121 0.5011653 -0.0000000), wk = 0.0019841 k( 78) = ( 0.0438841 0.5011653 -0.0000000), wk = 0.0019841 k( 79) = ( 0.0292561 0.5011653 -0.0000000), wk = 0.0019841 k( 80) = ( 0.0146280 0.5011653 -0.0000000), wk = 0.0019841 k( 81) = ( 0.0000000 0.5011653 -0.0000000), wk = 0.0019841 k( 82) = ( 0.0000000 0.5011653 -0.0000000), wk = 0.0019841 k( 83) = ( 0.0000000 0.5011653 0.0146806), wk = 0.0019841 k( 84) = ( 0.0000000 0.5011653 0.0293612), wk = 0.0019841 k( 85) = ( 0.0000000 0.5011653 0.0440418), wk = 0.0019841 k( 86) = ( 0.0000000 0.5011653 0.0587224), wk = 0.0019841 k( 87) = ( 0.0000000 0.5011653 0.0734030), wk = 0.0019841 k( 88) = ( 0.0000000 0.5011653 0.0880836), wk = 0.0019841 k( 89) = ( 0.0000000 0.5011653 0.1027642), wk = 0.0019841 k( 90) = ( 0.0000000 0.5011653 0.1174448), wk = 0.0019841 k( 91) = ( 0.0000000 0.5011653 0.1321254), wk = 0.0019841 k( 92) = ( 0.0000000 0.5011653 0.1468060), wk = 0.0019841 k( 93) = ( 0.0000000 0.5011653 0.1614866), wk = 0.0019841 k( 94) = ( 0.0000000 0.5011653 0.1761672), wk = 0.0019841 k( 95) = ( 0.0000000 0.5011653 0.1908478), wk = 0.0019841 k( 96) = ( 0.0000000 0.5011653 0.2055284), wk = 0.0019841 k( 97) = ( 0.0000000 0.5011653 0.2202090), wk = 0.0019841 k( 98) = ( 0.0000000 0.5011653 0.2348896), wk = 0.0019841 k( 99) = ( 0.0000000 0.5011653 0.2495702), wk = 0.0019841 k( 100) = ( 0.0000000 0.5011653 0.2642508), wk = 0.0019841 k( 101) = ( 0.0000000 0.5011653 0.2789314), wk = 0.0019841 k( 102) = ( 0.0000000 0.5011653 0.2936120), wk = 0.0019841 k( 103) = ( 0.0000000 0.5011653 0.3082926), wk = 0.0019841 k( 104) = ( 0.0000000 0.5011653 0.3229732), wk = 0.0019841 k( 105) = ( 0.0000000 0.5011653 0.3376538), wk = 0.0019841 k( 106) = ( 0.0000000 0.5011653 0.3523344), wk = 0.0019841 k( 107) = ( 0.0000000 0.5011653 0.3670150), wk = 0.0019841 k( 108) = ( 0.0000000 0.5011653 0.3816956), wk = 0.0019841 k( 109) = ( 0.0000000 0.5011653 0.3963762), wk = 0.0019841 k( 110) = ( 0.0000000 0.5011653 0.4110568), wk = 0.0019841 k( 111) = ( 0.0000000 0.5011653 0.4257374), wk = 0.0019841 k( 112) = ( 0.0000000 0.5011653 0.4404180), wk = 0.0019841 k( 113) = ( 0.0000000 0.5011653 0.4550986), wk = 0.0019841 k( 114) = ( 0.0000000 0.5011653 0.4697793), wk = 0.0019841 k( 115) = ( 0.0000000 0.5011653 0.4844599), wk = 0.0019841 k( 116) = ( 0.0000000 0.5011653 0.4991405), wk = 0.0019841 k( 117) = ( 0.0000000 0.5011653 0.5138211), wk = 0.0019841 k( 118) = ( 0.0000000 0.5011653 0.5285017), wk = 0.0019841 k( 119) = ( 0.0000000 0.5011653 0.5431823), wk = 0.0019841 k( 120) = ( 0.0000000 0.5011653 0.5578629), wk = 0.0019841 k( 121) = ( 0.0000000 0.5011653 0.5725435), wk = 0.0019841 k( 122) = ( 0.0000000 0.5011653 0.5872241), wk = 0.0019841 k( 123) = ( 0.0000000 0.5011653 0.6019047), wk = 0.0019841 k( 124) = ( 0.0000000 0.5011653 0.6165853), wk = 0.0019841 k( 125) = ( 0.0000000 0.5011653 0.6312659), wk = 0.0019841 k( 126) = ( 0.0000000 0.5011653 0.6459465), wk = 0.0019841 k( 127) = ( 0.0000000 0.5011653 0.6606271), wk = 0.0019841 k( 128) = ( 0.0000000 0.5011653 0.6753077), wk = 0.0019841 k( 129) = ( 0.0000000 0.5011653 0.6899883), wk = 0.0019841 k( 130) = ( 0.0000000 0.5011653 0.7046689), wk = 0.0019841 k( 131) = ( 0.0000000 0.5011653 0.7193495), wk = 0.0019841 k( 132) = ( 0.0000000 0.5011653 0.7340301), wk = 0.0019841 k( 133) = ( 0.0000000 0.5011653 0.7487107), wk = 0.0019841 k( 134) = ( 0.0000000 0.5011653 0.7633913), wk = 0.0019841 k( 135) = ( 0.0000000 0.5011653 0.7780719), wk = 0.0019841 k( 136) = ( 0.0000000 0.5011653 0.7927525), wk = 0.0019841 k( 137) = ( 0.0000000 0.5011653 0.8074331), wk = 0.0019841 k( 138) = ( 0.0000000 0.5011653 0.8221137), wk = 0.0019841 k( 139) = ( 0.0000000 0.5011653 0.8367943), wk = 0.0019841 k( 140) = ( 0.0000000 0.5011653 0.8514749), wk = 0.0019841 k( 141) = ( 0.0000000 0.5011653 0.8514749), wk = 0.0019841 k( 142) = ( 0.0146280 0.5011653 0.8514749), wk = 0.0019841 k( 143) = ( 0.0292561 0.5011653 0.8514749), wk = 0.0019841 k( 144) = ( 0.0438841 0.5011653 0.8514749), wk = 0.0019841 k( 145) = ( 0.0585121 0.5011653 0.8514749), wk = 0.0019841 k( 146) = ( 0.0731402 0.5011653 0.8514749), wk = 0.0019841 k( 147) = ( 0.0877682 0.5011653 0.8514749), wk = 0.0019841 k( 148) = ( 0.1023963 0.5011653 0.8514749), wk = 0.0019841 k( 149) = ( 0.1170243 0.5011653 0.8514749), wk = 0.0019841 k( 150) = ( 0.1316523 0.5011653 0.8514749), wk = 0.0019841 k( 151) = ( 0.1462804 0.5011653 0.8514749), wk = 0.0019841 k( 152) = ( 0.1609084 0.5011653 0.8514749), wk = 0.0019841 k( 153) = ( 0.1755365 0.5011653 0.8514749), wk = 0.0019841 k( 154) = ( 0.1901645 0.5011653 0.8514749), wk = 0.0019841 k( 155) = ( 0.2047925 0.5011653 0.8514749), wk = 0.0019841 k( 156) = ( 0.2194206 0.5011653 0.8514749), wk = 0.0019841 k( 157) = ( 0.2340486 0.5011653 0.8514749), wk = 0.0019841 k( 158) = ( 0.2486766 0.5011653 0.8514749), wk = 0.0019841 k( 159) = ( 0.2633047 0.5011653 0.8514749), wk = 0.0019841 k( 160) = ( 0.2779327 0.5011653 0.8514749), wk = 0.0019841 k( 161) = ( 0.2925608 0.5011653 0.8514749), wk = 0.0019841 k( 162) = ( 0.3071888 0.5011653 0.8514749), wk = 0.0019841 k( 163) = ( 0.3218168 0.5011653 0.8514749), wk = 0.0019841 k( 164) = ( 0.3364449 0.5011653 0.8514749), wk = 0.0019841 k( 165) = ( 0.3510729 0.5011653 0.8514749), wk = 0.0019841 k( 166) = ( 0.3657010 0.5011653 0.8514749), wk = 0.0019841 k( 167) = ( 0.3803290 0.5011653 0.8514749), wk = 0.0019841 k( 168) = ( 0.3949570 0.5011653 0.8514749), wk = 0.0019841 k( 169) = ( 0.4095851 0.5011653 0.8514749), wk = 0.0019841 k( 170) = ( 0.4242131 0.5011653 0.8514749), wk = 0.0019841 k( 171) = ( 0.4388411 0.5011653 0.8514749), wk = 0.0019841 k( 172) = ( 0.4534692 0.5011653 0.8514749), wk = 0.0019841 k( 173) = ( 0.4680972 0.5011653 0.8514749), wk = 0.0019841 k( 174) = ( 0.4680972 0.5011653 0.8514749), wk = 0.0019841 k( 175) = ( 0.4581377 0.4905022 0.8514749), wk = 0.0019841 k( 176) = ( 0.4481782 0.4798391 0.8514749), wk = 0.0019841 k( 177) = ( 0.4382187 0.4691760 0.8514749), wk = 0.0019841 k( 178) = ( 0.4282592 0.4585129 0.8514749), wk = 0.0019841 k( 179) = ( 0.4182996 0.4478499 0.8514749), wk = 0.0019841 k( 180) = ( 0.4083401 0.4371868 0.8514749), wk = 0.0019841 k( 181) = ( 0.3983806 0.4265237 0.8514749), wk = 0.0019841 k( 182) = ( 0.3884211 0.4158606 0.8514749), wk = 0.0019841 k( 183) = ( 0.3784616 0.4051975 0.8514749), wk = 0.0019841 k( 184) = ( 0.3685021 0.3945344 0.8514749), wk = 0.0019841 k( 185) = ( 0.3585426 0.3838713 0.8514749), wk = 0.0019841 k( 186) = ( 0.3485830 0.3732082 0.8514749), wk = 0.0019841 k( 187) = ( 0.3386235 0.3625451 0.8514749), wk = 0.0019841 k( 188) = ( 0.3286640 0.3518820 0.8514749), wk = 0.0019841 k( 189) = ( 0.3187045 0.3412189 0.8514749), wk = 0.0019841 k( 190) = ( 0.3087450 0.3305558 0.8514749), wk = 0.0019841 k( 191) = ( 0.2987855 0.3198928 0.8514749), wk = 0.0019841 k( 192) = ( 0.2888259 0.3092297 0.8514749), wk = 0.0019841 k( 193) = ( 0.2788664 0.2985666 0.8514749), wk = 0.0019841 k( 194) = ( 0.2689069 0.2879035 0.8514749), wk = 0.0019841 k( 195) = ( 0.2589474 0.2772404 0.8514749), wk = 0.0019841 k( 196) = ( 0.2489879 0.2665773 0.8514749), wk = 0.0019841 k( 197) = ( 0.2390284 0.2559142 0.8514749), wk = 0.0019841 k( 198) = ( 0.2290688 0.2452511 0.8514749), wk = 0.0019841 k( 199) = ( 0.2191093 0.2345880 0.8514749), wk = 0.0019841 k( 200) = ( 0.2091498 0.2239249 0.8514749), wk = 0.0019841 k( 201) = ( 0.1991903 0.2132618 0.8514749), wk = 0.0019841 k( 202) = ( 0.1892308 0.2025987 0.8514749), wk = 0.0019841 k( 203) = ( 0.1792713 0.1919356 0.8514749), wk = 0.0019841 k( 204) = ( 0.1693118 0.1812726 0.8514749), wk = 0.0019841 k( 205) = ( 0.1593522 0.1706095 0.8514749), wk = 0.0019841 k( 206) = ( 0.1493927 0.1599464 0.8514749), wk = 0.0019841 k( 207) = ( 0.1394332 0.1492833 0.8514749), wk = 0.0019841 k( 208) = ( 0.1294737 0.1386202 0.8514749), wk = 0.0019841 k( 209) = ( 0.1195142 0.1279571 0.8514749), wk = 0.0019841 k( 210) = ( 0.1095547 0.1172940 0.8514749), wk = 0.0019841 k( 211) = ( 0.0995951 0.1066309 0.8514749), wk = 0.0019841 k( 212) = ( 0.0896356 0.0959678 0.8514749), wk = 0.0019841 k( 213) = ( 0.0796761 0.0853047 0.8514749), wk = 0.0019841 k( 214) = ( 0.0697166 0.0746416 0.8514749), wk = 0.0019841 k( 215) = ( 0.0597571 0.0639785 0.8514749), wk = 0.0019841 k( 216) = ( 0.0497976 0.0533155 0.8514749), wk = 0.0019841 k( 217) = ( 0.0398381 0.0426524 0.8514749), wk = 0.0019841 k( 218) = ( 0.0298786 0.0319893 0.8514749), wk = 0.0019841 k( 219) = ( 0.0199190 0.0213262 0.8514749), wk = 0.0019841 k( 220) = ( 0.0099595 0.0106631 0.8514749), wk = 0.0019841 k( 221) = ( 0.0000000 0.0000000 0.8514749), wk = 0.0019841 k( 222) = ( 0.0000000 0.0000000 0.8514749), wk = 0.0019841 k( 223) = ( 0.0000000 0.0000000 0.8367943), wk = 0.0019841 k( 224) = ( 0.0000000 0.0000000 0.8221137), wk = 0.0019841 k( 225) = ( 0.0000000 0.0000000 0.8074331), wk = 0.0019841 k( 226) = ( 0.0000000 0.0000000 0.7927525), wk = 0.0019841 k( 227) = ( 0.0000000 0.0000000 0.7780719), wk = 0.0019841 k( 228) = ( 0.0000000 0.0000000 0.7633913), wk = 0.0019841 k( 229) = ( 0.0000000 0.0000000 0.7487107), wk = 0.0019841 k( 230) = ( 0.0000000 0.0000000 0.7340301), wk = 0.0019841 k( 231) = ( 0.0000000 0.0000000 0.7193495), wk = 0.0019841 k( 232) = ( 0.0000000 0.0000000 0.7046689), wk = 0.0019841 k( 233) = ( 0.0000000 0.0000000 0.6899883), wk = 0.0019841 k( 234) = ( 0.0000000 0.0000000 0.6753077), wk = 0.0019841 k( 235) = ( 0.0000000 0.0000000 0.6606271), wk = 0.0019841 k( 236) = ( 0.0000000 0.0000000 0.6459465), wk = 0.0019841 k( 237) = ( 0.0000000 0.0000000 0.6312659), wk = 0.0019841 k( 238) = ( 0.0000000 0.0000000 0.6165853), wk = 0.0019841 k( 239) = ( 0.0000000 0.0000000 0.6019047), wk = 0.0019841 k( 240) = ( 0.0000000 0.0000000 0.5872241), wk = 0.0019841 k( 241) = ( 0.0000000 0.0000000 0.5725435), wk = 0.0019841 k( 242) = ( 0.0000000 0.0000000 0.5578629), wk = 0.0019841 k( 243) = ( 0.0000000 0.0000000 0.5431823), wk = 0.0019841 k( 244) = ( 0.0000000 0.0000000 0.5285017), wk = 0.0019841 k( 245) = ( 0.0000000 0.0000000 0.5138211), wk = 0.0019841 k( 246) = ( 0.0000000 0.0000000 0.4991405), wk = 0.0019841 k( 247) = ( 0.0000000 0.0000000 0.4844599), wk = 0.0019841 k( 248) = ( 0.0000000 0.0000000 0.4697793), wk = 0.0019841 k( 249) = ( 0.0000000 0.0000000 0.4550986), wk = 0.0019841 k( 250) = ( 0.0000000 0.0000000 0.4404180), wk = 0.0019841 k( 251) = ( 0.0000000 0.0000000 0.4257374), wk = 0.0019841 k( 252) = ( 0.0000000 0.0000000 0.4110568), wk = 0.0019841 k( 253) = ( 0.0000000 0.0000000 0.3963762), wk = 0.0019841 k( 254) = ( 0.0000000 0.0000000 0.3816956), wk = 0.0019841 k( 255) = ( 0.0000000 0.0000000 0.3670150), wk = 0.0019841 k( 256) = ( 0.0000000 0.0000000 0.3523344), wk = 0.0019841 k( 257) = ( 0.0000000 0.0000000 0.3376538), wk = 0.0019841 k( 258) = ( 0.0000000 0.0000000 0.3229732), wk = 0.0019841 k( 259) = ( 0.0000000 0.0000000 0.3082926), wk = 0.0019841 k( 260) = ( 0.0000000 0.0000000 0.2936120), wk = 0.0019841 k( 261) = ( 0.0000000 0.0000000 0.2789314), wk = 0.0019841 k( 262) = ( 0.0000000 0.0000000 0.2642508), wk = 0.0019841 k( 263) = ( 0.0000000 0.0000000 0.2495702), wk = 0.0019841 k( 264) = ( 0.0000000 0.0000000 0.2348896), wk = 0.0019841 k( 265) = ( 0.0000000 0.0000000 0.2202090), wk = 0.0019841 k( 266) = ( 0.0000000 0.0000000 0.2055284), wk = 0.0019841 k( 267) = ( 0.0000000 0.0000000 0.1908478), wk = 0.0019841 k( 268) = ( 0.0000000 0.0000000 0.1761672), wk = 0.0019841 k( 269) = ( 0.0000000 0.0000000 0.1614866), wk = 0.0019841 k( 270) = ( 0.0000000 0.0000000 0.1468060), wk = 0.0019841 k( 271) = ( 0.0000000 0.0000000 0.1321254), wk = 0.0019841 k( 272) = ( 0.0000000 0.0000000 0.1174448), wk = 0.0019841 k( 273) = ( 0.0000000 0.0000000 0.1027642), wk = 0.0019841 k( 274) = ( 0.0000000 0.0000000 0.0880836), wk = 0.0019841 k( 275) = ( 0.0000000 0.0000000 0.0734030), wk = 0.0019841 k( 276) = ( 0.0000000 0.0000000 0.0587224), wk = 0.0019841 k( 277) = ( 0.0000000 0.0000000 0.0440418), wk = 0.0019841 k( 278) = ( 0.0000000 0.0000000 0.0293612), wk = 0.0019841 k( 279) = ( 0.0000000 0.0000000 0.0146806), wk = 0.0019841 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 282) = ( -0.0106383 0.0099364 0.0000000), wk = 0.0019841 k( 283) = ( -0.0212766 0.0198727 0.0000000), wk = 0.0019841 k( 284) = ( -0.0319149 0.0298091 0.0000000), wk = 0.0019841 k( 285) = ( -0.0425532 0.0397454 0.0000000), wk = 0.0019841 k( 286) = ( -0.0531915 0.0496818 0.0000000), wk = 0.0019841 k( 287) = ( -0.0638298 0.0596181 0.0000000), wk = 0.0019841 k( 288) = ( -0.0744681 0.0695545 0.0000000), wk = 0.0019841 k( 289) = ( -0.0851064 0.0794909 0.0000000), wk = 0.0019841 k( 290) = ( -0.0957447 0.0894272 0.0000000), wk = 0.0019841 k( 291) = ( -0.1063830 0.0993636 0.0000000), wk = 0.0019841 k( 292) = ( -0.1170213 0.1092999 0.0000000), wk = 0.0019841 k( 293) = ( -0.1276596 0.1192363 0.0000000), wk = 0.0019841 k( 294) = ( -0.1382979 0.1291726 0.0000000), wk = 0.0019841 k( 295) = ( -0.1489362 0.1391090 0.0000000), wk = 0.0019841 k( 296) = ( -0.1595745 0.1490454 0.0000000), wk = 0.0019841 k( 297) = ( -0.1702128 0.1589817 0.0000000), wk = 0.0019841 k( 298) = ( -0.1808511 0.1689181 0.0000000), wk = 0.0019841 k( 299) = ( -0.1914894 0.1788544 0.0000000), wk = 0.0019841 k( 300) = ( -0.2021277 0.1887908 0.0000000), wk = 0.0019841 k( 301) = ( -0.2127660 0.1987272 0.0000000), wk = 0.0019841 k( 302) = ( -0.2234043 0.2086635 0.0000000), wk = 0.0019841 k( 303) = ( -0.2340425 0.2185999 0.0000000), wk = 0.0019841 k( 304) = ( -0.2446809 0.2285362 0.0000000), wk = 0.0019841 k( 305) = ( -0.2553191 0.2384726 0.0000000), wk = 0.0019841 k( 306) = ( -0.2659574 0.2484089 0.0000000), wk = 0.0019841 k( 307) = ( -0.2765957 0.2583453 0.0000000), wk = 0.0019841 k( 308) = ( -0.2872340 0.2682816 0.0000000), wk = 0.0019841 k( 309) = ( -0.2978723 0.2782180 0.0000000), wk = 0.0019841 k( 310) = ( -0.3085106 0.2881544 0.0000000), wk = 0.0019841 k( 311) = ( -0.3191489 0.2980907 0.0000000), wk = 0.0019841 k( 312) = ( -0.3297872 0.3080271 0.0000000), wk = 0.0019841 k( 313) = ( -0.3404255 0.3179634 0.0000000), wk = 0.0019841 k( 314) = ( -0.3510638 0.3278998 0.0000000), wk = 0.0019841 k( 315) = ( -0.3617021 0.3378362 0.0000000), wk = 0.0019841 k( 316) = ( -0.3723404 0.3477725 0.0000000), wk = 0.0019841 k( 317) = ( -0.3829787 0.3577089 0.0000000), wk = 0.0019841 k( 318) = ( -0.3936170 0.3676452 0.0000000), wk = 0.0019841 k( 319) = ( -0.4042553 0.3775816 0.0000000), wk = 0.0019841 k( 320) = ( -0.4148936 0.3875179 0.0000000), wk = 0.0019841 k( 321) = ( -0.4255319 0.3974543 0.0000000), wk = 0.0019841 k( 322) = ( -0.4361702 0.4073907 0.0000000), wk = 0.0019841 k( 323) = ( -0.4468085 0.4173270 0.0000000), wk = 0.0019841 k( 324) = ( -0.4574468 0.4272634 0.0000000), wk = 0.0019841 k( 325) = ( -0.4680851 0.4371997 0.0000000), wk = 0.0019841 k( 326) = ( -0.4787234 0.4471361 0.0000000), wk = 0.0019841 k( 327) = ( -0.4893617 0.4570724 0.0000000), wk = 0.0019841 k( 328) = ( -0.5000000 0.4670088 0.0000000), wk = 0.0019841 k( 329) = ( -0.5000000 0.4670088 0.0000000), wk = 0.0019841 k( 330) = ( -0.4920243 0.4755479 -0.0000000), wk = 0.0019841 k( 331) = ( -0.4840486 0.4840871 -0.0000000), wk = 0.0019841 k( 332) = ( -0.4760729 0.4926262 -0.0000000), wk = 0.0019841 k( 333) = ( -0.4680972 0.5011653 -0.0000000), wk = 0.0019841 k( 334) = ( -0.4680972 0.5011653 -0.0000000), wk = 0.0019841 k( 335) = ( -0.4680972 0.5011653 0.0146806), wk = 0.0019841 k( 336) = ( -0.4680972 0.5011653 0.0293612), wk = 0.0019841 k( 337) = ( -0.4680972 0.5011653 0.0440418), wk = 0.0019841 k( 338) = ( -0.4680972 0.5011653 0.0587224), wk = 0.0019841 k( 339) = ( -0.4680972 0.5011653 0.0734030), wk = 0.0019841 k( 340) = ( -0.4680972 0.5011653 0.0880836), wk = 0.0019841 k( 341) = ( -0.4680972 0.5011653 0.1027642), wk = 0.0019841 k( 342) = ( -0.4680972 0.5011653 0.1174448), wk = 0.0019841 k( 343) = ( -0.4680972 0.5011653 0.1321254), wk = 0.0019841 k( 344) = ( -0.4680972 0.5011653 0.1468060), wk = 0.0019841 k( 345) = ( -0.4680972 0.5011653 0.1614866), wk = 0.0019841 k( 346) = ( -0.4680972 0.5011653 0.1761672), wk = 0.0019841 k( 347) = ( -0.4680972 0.5011653 0.1908478), wk = 0.0019841 k( 348) = ( -0.4680972 0.5011653 0.2055284), wk = 0.0019841 k( 349) = ( -0.4680972 0.5011653 0.2202090), wk = 0.0019841 k( 350) = ( -0.4680972 0.5011653 0.2348896), wk = 0.0019841 k( 351) = ( -0.4680972 0.5011653 0.2495702), wk = 0.0019841 k( 352) = ( -0.4680972 0.5011653 0.2642508), wk = 0.0019841 k( 353) = ( -0.4680972 0.5011653 0.2789314), wk = 0.0019841 k( 354) = ( -0.4680972 0.5011653 0.2936120), wk = 0.0019841 k( 355) = ( -0.4680972 0.5011653 0.3082926), wk = 0.0019841 k( 356) = ( -0.4680972 0.5011653 0.3229732), wk = 0.0019841 k( 357) = ( -0.4680972 0.5011653 0.3376538), wk = 0.0019841 k( 358) = ( -0.4680972 0.5011653 0.3523344), wk = 0.0019841 k( 359) = ( -0.4680972 0.5011653 0.3670150), wk = 0.0019841 k( 360) = ( -0.4680972 0.5011653 0.3816956), wk = 0.0019841 k( 361) = ( -0.4680972 0.5011653 0.3963762), wk = 0.0019841 k( 362) = ( -0.4680972 0.5011653 0.4110568), wk = 0.0019841 k( 363) = ( -0.4680972 0.5011653 0.4257374), wk = 0.0019841 k( 364) = ( -0.4680972 0.5011653 0.4404180), wk = 0.0019841 k( 365) = ( -0.4680972 0.5011653 0.4550986), wk = 0.0019841 k( 366) = ( -0.4680972 0.5011653 0.4697793), wk = 0.0019841 k( 367) = ( -0.4680972 0.5011653 0.4844599), wk = 0.0019841 k( 368) = ( -0.4680972 0.5011653 0.4991405), wk = 0.0019841 k( 369) = ( -0.4680972 0.5011653 0.5138211), wk = 0.0019841 k( 370) = ( -0.4680972 0.5011653 0.5285017), wk = 0.0019841 k( 371) = ( -0.4680972 0.5011653 0.5431823), wk = 0.0019841 k( 372) = ( -0.4680972 0.5011653 0.5578629), wk = 0.0019841 k( 373) = ( -0.4680972 0.5011653 0.5725435), wk = 0.0019841 k( 374) = ( -0.4680972 0.5011653 0.5872241), wk = 0.0019841 k( 375) = ( -0.4680972 0.5011653 0.6019047), wk = 0.0019841 k( 376) = ( -0.4680972 0.5011653 0.6165853), wk = 0.0019841 k( 377) = ( -0.4680972 0.5011653 0.6312659), wk = 0.0019841 k( 378) = ( -0.4680972 0.5011653 0.6459465), wk = 0.0019841 k( 379) = ( -0.4680972 0.5011653 0.6606271), wk = 0.0019841 k( 380) = ( -0.4680972 0.5011653 0.6753077), wk = 0.0019841 k( 381) = ( -0.4680972 0.5011653 0.6899883), wk = 0.0019841 k( 382) = ( -0.4680972 0.5011653 0.7046689), wk = 0.0019841 k( 383) = ( -0.4680972 0.5011653 0.7193495), wk = 0.0019841 k( 384) = ( -0.4680972 0.5011653 0.7340301), wk = 0.0019841 k( 385) = ( -0.4680972 0.5011653 0.7487107), wk = 0.0019841 k( 386) = ( -0.4680972 0.5011653 0.7633913), wk = 0.0019841 k( 387) = ( -0.4680972 0.5011653 0.7780719), wk = 0.0019841 k( 388) = ( -0.4680972 0.5011653 0.7927525), wk = 0.0019841 k( 389) = ( -0.4680972 0.5011653 0.8074331), wk = 0.0019841 k( 390) = ( -0.4680972 0.5011653 0.8221137), wk = 0.0019841 k( 391) = ( -0.4680972 0.5011653 0.8367943), wk = 0.0019841 k( 392) = ( -0.4680972 0.5011653 0.8514749), wk = 0.0019841 k( 393) = ( -0.4680972 0.5011653 0.8514749), wk = 0.0019841 k( 394) = ( -0.4760729 0.4926262 0.8514749), wk = 0.0019841 k( 395) = ( -0.4840486 0.4840871 0.8514749), wk = 0.0019841 k( 396) = ( -0.4920243 0.4755479 0.8514749), wk = 0.0019841 k( 397) = ( -0.5000000 0.4670088 0.8514749), wk = 0.0019841 k( 398) = ( -0.5000000 0.4670088 0.8514749), wk = 0.0019841 k( 399) = ( -0.5000000 0.4670088 0.8367943), wk = 0.0019841 k( 400) = ( -0.5000000 0.4670088 0.8221137), wk = 0.0019841 k( 401) = ( -0.5000000 0.4670088 0.8074331), wk = 0.0019841 k( 402) = ( -0.5000000 0.4670088 0.7927525), wk = 0.0019841 k( 403) = ( -0.5000000 0.4670088 0.7780719), wk = 0.0019841 k( 404) = ( -0.5000000 0.4670088 0.7633913), wk = 0.0019841 k( 405) = ( -0.5000000 0.4670088 0.7487107), wk = 0.0019841 k( 406) = ( -0.5000000 0.4670088 0.7340301), wk = 0.0019841 k( 407) = ( -0.5000000 0.4670088 0.7193495), wk = 0.0019841 k( 408) = ( -0.5000000 0.4670088 0.7046689), wk = 0.0019841 k( 409) = ( -0.5000000 0.4670088 0.6899883), wk = 0.0019841 k( 410) = ( -0.5000000 0.4670088 0.6753077), wk = 0.0019841 k( 411) = ( -0.5000000 0.4670088 0.6606271), wk = 0.0019841 k( 412) = ( -0.5000000 0.4670088 0.6459465), wk = 0.0019841 k( 413) = ( -0.5000000 0.4670088 0.6312659), wk = 0.0019841 k( 414) = ( -0.5000000 0.4670088 0.6165853), wk = 0.0019841 k( 415) = ( -0.5000000 0.4670088 0.6019047), wk = 0.0019841 k( 416) = ( -0.5000000 0.4670088 0.5872241), wk = 0.0019841 k( 417) = ( -0.5000000 0.4670088 0.5725435), wk = 0.0019841 k( 418) = ( -0.5000000 0.4670088 0.5578629), wk = 0.0019841 k( 419) = ( -0.5000000 0.4670088 0.5431823), wk = 0.0019841 k( 420) = ( -0.5000000 0.4670088 0.5285017), wk = 0.0019841 k( 421) = ( -0.5000000 0.4670088 0.5138211), wk = 0.0019841 k( 422) = ( -0.5000000 0.4670088 0.4991405), wk = 0.0019841 k( 423) = ( -0.5000000 0.4670088 0.4844599), wk = 0.0019841 k( 424) = ( -0.5000000 0.4670088 0.4697793), wk = 0.0019841 k( 425) = ( -0.5000000 0.4670088 0.4550986), wk = 0.0019841 k( 426) = ( -0.5000000 0.4670088 0.4404180), wk = 0.0019841 k( 427) = ( -0.5000000 0.4670088 0.4257374), wk = 0.0019841 k( 428) = ( -0.5000000 0.4670088 0.4110568), wk = 0.0019841 k( 429) = ( -0.5000000 0.4670088 0.3963762), wk = 0.0019841 k( 430) = ( -0.5000000 0.4670088 0.3816956), wk = 0.0019841 k( 431) = ( -0.5000000 0.4670088 0.3670150), wk = 0.0019841 k( 432) = ( -0.5000000 0.4670088 0.3523344), wk = 0.0019841 k( 433) = ( -0.5000000 0.4670088 0.3376538), wk = 0.0019841 k( 434) = ( -0.5000000 0.4670088 0.3229732), wk = 0.0019841 k( 435) = ( -0.5000000 0.4670088 0.3082926), wk = 0.0019841 k( 436) = ( -0.5000000 0.4670088 0.2936120), wk = 0.0019841 k( 437) = ( -0.5000000 0.4670088 0.2789314), wk = 0.0019841 k( 438) = ( -0.5000000 0.4670088 0.2642508), wk = 0.0019841 k( 439) = ( -0.5000000 0.4670088 0.2495702), wk = 0.0019841 k( 440) = ( -0.5000000 0.4670088 0.2348896), wk = 0.0019841 k( 441) = ( -0.5000000 0.4670088 0.2202090), wk = 0.0019841 k( 442) = ( -0.5000000 0.4670088 0.2055284), wk = 0.0019841 k( 443) = ( -0.5000000 0.4670088 0.1908478), wk = 0.0019841 k( 444) = ( -0.5000000 0.4670088 0.1761672), wk = 0.0019841 k( 445) = ( -0.5000000 0.4670088 0.1614866), wk = 0.0019841 k( 446) = ( -0.5000000 0.4670088 0.1468060), wk = 0.0019841 k( 447) = ( -0.5000000 0.4670088 0.1321254), wk = 0.0019841 k( 448) = ( -0.5000000 0.4670088 0.1174448), wk = 0.0019841 k( 449) = ( -0.5000000 0.4670088 0.1027642), wk = 0.0019841 k( 450) = ( -0.5000000 0.4670088 0.0880836), wk = 0.0019841 k( 451) = ( -0.5000000 0.4670088 0.0734030), wk = 0.0019841 k( 452) = ( -0.5000000 0.4670088 0.0587224), wk = 0.0019841 k( 453) = ( -0.5000000 0.4670088 0.0440418), wk = 0.0019841 k( 454) = ( -0.5000000 0.4670088 0.0293612), wk = 0.0019841 k( 455) = ( -0.5000000 0.4670088 0.0146806), wk = 0.0019841 k( 456) = ( -0.5000000 0.4670088 0.0000000), wk = 0.0019841 k( 457) = ( 0.0000000 0.0000000 0.8514749), wk = 0.0019841 k( 458) = ( -0.0106383 0.0099364 0.8514749), wk = 0.0019841 k( 459) = ( -0.0212766 0.0198727 0.8514749), wk = 0.0019841 k( 460) = ( -0.0319149 0.0298091 0.8514749), wk = 0.0019841 k( 461) = ( -0.0425532 0.0397454 0.8514749), wk = 0.0019841 k( 462) = ( -0.0531915 0.0496818 0.8514749), wk = 0.0019841 k( 463) = ( -0.0638298 0.0596181 0.8514749), wk = 0.0019841 k( 464) = ( -0.0744681 0.0695545 0.8514749), wk = 0.0019841 k( 465) = ( -0.0851064 0.0794909 0.8514749), wk = 0.0019841 k( 466) = ( -0.0957447 0.0894272 0.8514749), wk = 0.0019841 k( 467) = ( -0.1063830 0.0993636 0.8514749), wk = 0.0019841 k( 468) = ( -0.1170213 0.1092999 0.8514749), wk = 0.0019841 k( 469) = ( -0.1276596 0.1192363 0.8514749), wk = 0.0019841 k( 470) = ( -0.1382979 0.1291726 0.8514749), wk = 0.0019841 k( 471) = ( -0.1489362 0.1391090 0.8514749), wk = 0.0019841 k( 472) = ( -0.1595745 0.1490454 0.8514749), wk = 0.0019841 k( 473) = ( -0.1702128 0.1589817 0.8514749), wk = 0.0019841 k( 474) = ( -0.1808511 0.1689181 0.8514749), wk = 0.0019841 k( 475) = ( -0.1914894 0.1788544 0.8514749), wk = 0.0019841 k( 476) = ( -0.2021277 0.1887908 0.8514749), wk = 0.0019841 k( 477) = ( -0.2127660 0.1987272 0.8514749), wk = 0.0019841 k( 478) = ( -0.2234043 0.2086635 0.8514749), wk = 0.0019841 k( 479) = ( -0.2340425 0.2185999 0.8514749), wk = 0.0019841 k( 480) = ( -0.2446809 0.2285362 0.8514749), wk = 0.0019841 k( 481) = ( -0.2553191 0.2384726 0.8514749), wk = 0.0019841 k( 482) = ( -0.2659574 0.2484089 0.8514749), wk = 0.0019841 k( 483) = ( -0.2765957 0.2583453 0.8514749), wk = 0.0019841 k( 484) = ( -0.2872340 0.2682816 0.8514749), wk = 0.0019841 k( 485) = ( -0.2978723 0.2782180 0.8514749), wk = 0.0019841 k( 486) = ( -0.3085106 0.2881544 0.8514749), wk = 0.0019841 k( 487) = ( -0.3191489 0.2980907 0.8514749), wk = 0.0019841 k( 488) = ( -0.3297872 0.3080271 0.8514749), wk = 0.0019841 k( 489) = ( -0.3404255 0.3179634 0.8514749), wk = 0.0019841 k( 490) = ( -0.3510638 0.3278998 0.8514749), wk = 0.0019841 k( 491) = ( -0.3617021 0.3378362 0.8514749), wk = 0.0019841 k( 492) = ( -0.3723404 0.3477725 0.8514749), wk = 0.0019841 k( 493) = ( -0.3829787 0.3577089 0.8514749), wk = 0.0019841 k( 494) = ( -0.3936170 0.3676452 0.8514749), wk = 0.0019841 k( 495) = ( -0.4042553 0.3775816 0.8514749), wk = 0.0019841 k( 496) = ( -0.4148936 0.3875179 0.8514749), wk = 0.0019841 k( 497) = ( -0.4255319 0.3974543 0.8514749), wk = 0.0019841 k( 498) = ( -0.4361702 0.4073907 0.8514749), wk = 0.0019841 k( 499) = ( -0.4468085 0.4173270 0.8514749), wk = 0.0019841 k( 500) = ( -0.4574468 0.4272634 0.8514749), wk = 0.0019841 k( 501) = ( -0.4680851 0.4371997 0.8514749), wk = 0.0019841 k( 502) = ( -0.4787234 0.4471361 0.8514749), wk = 0.0019841 k( 503) = ( -0.4893617 0.4570724 0.8514749), wk = 0.0019841 k( 504) = ( -0.5000000 0.4670088 0.8514749), wk = 0.0019841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 2) = ( 0.0099595 0.0099595 0.0000000), wk = 0.0019841 k( 3) = ( 0.0199190 0.0199190 -0.0000000), wk = 0.0019841 k( 4) = ( 0.0298786 0.0298786 -0.0000000), wk = 0.0019841 k( 5) = ( 0.0398381 0.0398381 -0.0000000), wk = 0.0019841 k( 6) = ( 0.0497976 0.0497976 -0.0000000), wk = 0.0019841 k( 7) = ( 0.0597571 0.0597571 -0.0000000), wk = 0.0019841 k( 8) = ( 0.0697166 0.0697166 0.0000000), wk = 0.0019841 k( 9) = ( 0.0796761 0.0796761 -0.0000000), wk = 0.0019841 k( 10) = ( 0.0896356 0.0896356 -0.0000000), wk = 0.0019841 k( 11) = ( 0.0995951 0.0995952 -0.0000000), wk = 0.0019841 k( 12) = ( 0.1095547 0.1095547 -0.0000000), wk = 0.0019841 k( 13) = ( 0.1195142 0.1195142 -0.0000000), wk = 0.0019841 k( 14) = ( 0.1294737 0.1294737 0.0000000), wk = 0.0019841 k( 15) = ( 0.1394332 0.1394332 -0.0000000), wk = 0.0019841 k( 16) = ( 0.1493927 0.1493927 -0.0000000), wk = 0.0019841 k( 17) = ( 0.1593522 0.1593522 -0.0000000), wk = 0.0019841 k( 18) = ( 0.1693118 0.1693118 -0.0000000), wk = 0.0019841 k( 19) = ( 0.1792713 0.1792713 0.0000000), wk = 0.0019841 k( 20) = ( 0.1892308 0.1892308 -0.0000000), wk = 0.0019841 k( 21) = ( 0.1991903 0.1991903 -0.0000000), wk = 0.0019841 k( 22) = ( 0.2091498 0.2091498 -0.0000000), wk = 0.0019841 k( 23) = ( 0.2191093 0.2191093 -0.0000000), wk = 0.0019841 k( 24) = ( 0.2290688 0.2290689 -0.0000000), wk = 0.0019841 k( 25) = ( 0.2390284 0.2390284 0.0000000), wk = 0.0019841 k( 26) = ( 0.2489879 0.2489879 -0.0000000), wk = 0.0019841 k( 27) = ( 0.2589474 0.2589474 0.0000000), wk = 0.0019841 k( 28) = ( 0.2689069 0.2689069 0.0000000), wk = 0.0019841 k( 29) = ( 0.2788664 0.2788664 -0.0000000), wk = 0.0019841 k( 30) = ( 0.2888259 0.2888259 -0.0000000), wk = 0.0019841 k( 31) = ( 0.2987855 0.2987855 -0.0000000), wk = 0.0019841 k( 32) = ( 0.3087450 0.3087450 -0.0000000), wk = 0.0019841 k( 33) = ( 0.3187045 0.3187045 -0.0000000), wk = 0.0019841 k( 34) = ( 0.3286640 0.3286640 0.0000000), wk = 0.0019841 k( 35) = ( 0.3386235 0.3386235 -0.0000000), wk = 0.0019841 k( 36) = ( 0.3485830 0.3485830 -0.0000000), wk = 0.0019841 k( 37) = ( 0.3585426 0.3585426 -0.0000000), wk = 0.0019841 k( 38) = ( 0.3685021 0.3685021 -0.0000000), wk = 0.0019841 k( 39) = ( 0.3784616 0.3784616 -0.0000000), wk = 0.0019841 k( 40) = ( 0.3884211 0.3884211 -0.0000000), wk = 0.0019841 k( 41) = ( 0.3983806 0.3983806 -0.0000000), wk = 0.0019841 k( 42) = ( 0.4083401 0.4083401 -0.0000000), wk = 0.0019841 k( 43) = ( 0.4182996 0.4182996 -0.0000000), wk = 0.0019841 k( 44) = ( 0.4282592 0.4282592 -0.0000000), wk = 0.0019841 k( 45) = ( 0.4382187 0.4382187 0.0000000), wk = 0.0019841 k( 46) = ( 0.4481782 0.4481782 0.0000000), wk = 0.0019841 k( 47) = ( 0.4581377 0.4581377 -0.0000000), wk = 0.0019841 k( 48) = ( 0.4680972 0.4680972 0.0000000), wk = 0.0019841 k( 49) = ( 0.4680972 0.4680972 0.0000000), wk = 0.0019841 k( 50) = ( 0.4534692 0.4690942 0.0000000), wk = 0.0019841 k( 51) = ( 0.4388411 0.4700911 0.0000000), wk = 0.0019841 k( 52) = ( 0.4242131 0.4710881 -0.0000000), wk = 0.0019841 k( 53) = ( 0.4095851 0.4720851 -0.0000000), wk = 0.0019841 k( 54) = ( 0.3949570 0.4730820 0.0000000), wk = 0.0019841 k( 55) = ( 0.3803290 0.4740790 0.0000000), wk = 0.0019841 k( 56) = ( 0.3657010 0.4750760 -0.0000000), wk = 0.0019841 k( 57) = ( 0.3510729 0.4760729 0.0000000), wk = 0.0019841 k( 58) = ( 0.3364449 0.4770699 0.0000000), wk = 0.0019841 k( 59) = ( 0.3218168 0.4780668 0.0000000), wk = 0.0019841 k( 60) = ( 0.3071888 0.4790638 0.0000000), wk = 0.0019841 k( 61) = ( 0.2925608 0.4800608 -0.0000000), wk = 0.0019841 k( 62) = ( 0.2779327 0.4810577 0.0000000), wk = 0.0019841 k( 63) = ( 0.2633047 0.4820547 0.0000000), wk = 0.0019841 k( 64) = ( 0.2486766 0.4830516 -0.0000000), wk = 0.0019841 k( 65) = ( 0.2340486 0.4840486 0.0000000), wk = 0.0019841 k( 66) = ( 0.2194206 0.4850456 0.0000000), wk = 0.0019841 k( 67) = ( 0.2047925 0.4860425 0.0000000), wk = 0.0019841 k( 68) = ( 0.1901645 0.4870395 -0.0000000), wk = 0.0019841 k( 69) = ( 0.1755365 0.4880365 0.0000000), wk = 0.0019841 k( 70) = ( 0.1609084 0.4890334 0.0000000), wk = 0.0019841 k( 71) = ( 0.1462804 0.4900304 0.0000000), wk = 0.0019841 k( 72) = ( 0.1316523 0.4910273 0.0000000), wk = 0.0019841 k( 73) = ( 0.1170243 0.4920243 0.0000000), wk = 0.0019841 k( 74) = ( 0.1023963 0.4930213 0.0000000), wk = 0.0019841 k( 75) = ( 0.0877682 0.4940182 -0.0000000), wk = 0.0019841 k( 76) = ( 0.0731402 0.4950152 -0.0000000), wk = 0.0019841 k( 77) = ( 0.0585121 0.4960122 0.0000000), wk = 0.0019841 k( 78) = ( 0.0438841 0.4970091 0.0000000), wk = 0.0019841 k( 79) = ( 0.0292561 0.4980061 0.0000000), wk = 0.0019841 k( 80) = ( 0.0146280 0.4990030 0.0000000), wk = 0.0019841 k( 81) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 82) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 83) = ( 0.0000000 0.5000000 0.0086207), wk = 0.0019841 k( 84) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0019841 k( 85) = ( 0.0000000 0.5000000 0.0258621), wk = 0.0019841 k( 86) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0019841 k( 87) = ( 0.0000000 0.5000000 0.0431035), wk = 0.0019841 k( 88) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0019841 k( 89) = ( 0.0000000 0.5000000 0.0603448), wk = 0.0019841 k( 90) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0019841 k( 91) = ( 0.0000000 0.5000000 0.0775862), wk = 0.0019841 k( 92) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0019841 k( 93) = ( 0.0000000 0.5000000 0.0948276), wk = 0.0019841 k( 94) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0019841 k( 95) = ( 0.0000000 0.5000000 0.1120690), wk = 0.0019841 k( 96) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0019841 k( 97) = ( 0.0000000 0.5000000 0.1293103), wk = 0.0019841 k( 98) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0019841 k( 99) = ( 0.0000000 0.5000000 0.1465517), wk = 0.0019841 k( 100) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0019841 k( 101) = ( 0.0000000 0.5000000 0.1637931), wk = 0.0019841 k( 102) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0019841 k( 103) = ( 0.0000000 0.5000000 0.1810345), wk = 0.0019841 k( 104) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0019841 k( 105) = ( 0.0000000 0.5000000 0.1982759), wk = 0.0019841 k( 106) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0019841 k( 107) = ( 0.0000000 0.5000000 0.2155172), wk = 0.0019841 k( 108) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0019841 k( 109) = ( 0.0000000 0.5000000 0.2327586), wk = 0.0019841 k( 110) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0019841 k( 111) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0019841 k( 112) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0019841 k( 113) = ( 0.0000000 0.5000000 0.2672414), wk = 0.0019841 k( 114) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0019841 k( 115) = ( 0.0000000 0.5000000 0.2844828), wk = 0.0019841 k( 116) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0019841 k( 117) = ( 0.0000000 0.5000000 0.3017241), wk = 0.0019841 k( 118) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0019841 k( 119) = ( 0.0000000 0.5000000 0.3189655), wk = 0.0019841 k( 120) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0019841 k( 121) = ( 0.0000000 0.5000000 0.3362069), wk = 0.0019841 k( 122) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0019841 k( 123) = ( 0.0000000 0.5000000 0.3534483), wk = 0.0019841 k( 124) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0019841 k( 125) = ( 0.0000000 0.5000000 0.3706897), wk = 0.0019841 k( 126) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0019841 k( 127) = ( 0.0000000 0.5000000 0.3879310), wk = 0.0019841 k( 128) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0019841 k( 129) = ( 0.0000000 0.5000000 0.4051724), wk = 0.0019841 k( 130) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0019841 k( 131) = ( 0.0000000 0.5000000 0.4224138), wk = 0.0019841 k( 132) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0019841 k( 133) = ( 0.0000000 0.5000000 0.4396552), wk = 0.0019841 k( 134) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0019841 k( 135) = ( 0.0000000 0.5000000 0.4568966), wk = 0.0019841 k( 136) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0019841 k( 137) = ( 0.0000000 0.5000000 0.4741379), wk = 0.0019841 k( 138) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0019841 k( 139) = ( 0.0000000 0.5000000 0.4913793), wk = 0.0019841 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019841 k( 141) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019841 k( 142) = ( 0.0146280 0.4990030 0.5000000), wk = 0.0019841 k( 143) = ( 0.0292561 0.4980061 0.5000000), wk = 0.0019841 k( 144) = ( 0.0438841 0.4970091 0.5000000), wk = 0.0019841 k( 145) = ( 0.0585121 0.4960122 0.5000000), wk = 0.0019841 k( 146) = ( 0.0731402 0.4950152 0.5000000), wk = 0.0019841 k( 147) = ( 0.0877682 0.4940182 0.5000000), wk = 0.0019841 k( 148) = ( 0.1023963 0.4930213 0.5000000), wk = 0.0019841 k( 149) = ( 0.1170243 0.4920243 0.5000000), wk = 0.0019841 k( 150) = ( 0.1316523 0.4910273 0.5000000), wk = 0.0019841 k( 151) = ( 0.1462804 0.4900304 0.5000000), wk = 0.0019841 k( 152) = ( 0.1609084 0.4890334 0.5000000), wk = 0.0019841 k( 153) = ( 0.1755365 0.4880365 0.5000000), wk = 0.0019841 k( 154) = ( 0.1901645 0.4870395 0.5000000), wk = 0.0019841 k( 155) = ( 0.2047925 0.4860425 0.5000000), wk = 0.0019841 k( 156) = ( 0.2194206 0.4850456 0.5000000), wk = 0.0019841 k( 157) = ( 0.2340486 0.4840486 0.5000000), wk = 0.0019841 k( 158) = ( 0.2486766 0.4830516 0.5000000), wk = 0.0019841 k( 159) = ( 0.2633047 0.4820547 0.5000000), wk = 0.0019841 k( 160) = ( 0.2779327 0.4810577 0.5000000), wk = 0.0019841 k( 161) = ( 0.2925608 0.4800608 0.5000000), wk = 0.0019841 k( 162) = ( 0.3071888 0.4790638 0.5000000), wk = 0.0019841 k( 163) = ( 0.3218168 0.4780668 0.5000000), wk = 0.0019841 k( 164) = ( 0.3364449 0.4770699 0.5000000), wk = 0.0019841 k( 165) = ( 0.3510729 0.4760729 0.5000000), wk = 0.0019841 k( 166) = ( 0.3657010 0.4750760 0.5000000), wk = 0.0019841 k( 167) = ( 0.3803290 0.4740790 0.5000000), wk = 0.0019841 k( 168) = ( 0.3949570 0.4730820 0.5000000), wk = 0.0019841 k( 169) = ( 0.4095851 0.4720851 0.5000000), wk = 0.0019841 k( 170) = ( 0.4242131 0.4710881 0.5000000), wk = 0.0019841 k( 171) = ( 0.4388411 0.4700911 0.5000000), wk = 0.0019841 k( 172) = ( 0.4534692 0.4690942 0.5000000), wk = 0.0019841 k( 173) = ( 0.4680972 0.4680972 0.5000000), wk = 0.0019841 k( 174) = ( 0.4680972 0.4680972 0.5000000), wk = 0.0019841 k( 175) = ( 0.4581377 0.4581377 0.5000000), wk = 0.0019841 k( 176) = ( 0.4481782 0.4481782 0.5000000), wk = 0.0019841 k( 177) = ( 0.4382187 0.4382187 0.5000000), wk = 0.0019841 k( 178) = ( 0.4282592 0.4282592 0.5000000), wk = 0.0019841 k( 179) = ( 0.4182996 0.4182996 0.5000000), wk = 0.0019841 k( 180) = ( 0.4083401 0.4083401 0.5000000), wk = 0.0019841 k( 181) = ( 0.3983806 0.3983806 0.5000000), wk = 0.0019841 k( 182) = ( 0.3884211 0.3884211 0.5000000), wk = 0.0019841 k( 183) = ( 0.3784616 0.3784616 0.5000000), wk = 0.0019841 k( 184) = ( 0.3685021 0.3685021 0.5000000), wk = 0.0019841 k( 185) = ( 0.3585426 0.3585426 0.5000000), wk = 0.0019841 k( 186) = ( 0.3485830 0.3485830 0.5000000), wk = 0.0019841 k( 187) = ( 0.3386235 0.3386235 0.5000000), wk = 0.0019841 k( 188) = ( 0.3286640 0.3286640 0.5000000), wk = 0.0019841 k( 189) = ( 0.3187045 0.3187045 0.5000000), wk = 0.0019841 k( 190) = ( 0.3087450 0.3087450 0.5000000), wk = 0.0019841 k( 191) = ( 0.2987855 0.2987855 0.5000000), wk = 0.0019841 k( 192) = ( 0.2888259 0.2888259 0.5000000), wk = 0.0019841 k( 193) = ( 0.2788664 0.2788664 0.5000000), wk = 0.0019841 k( 194) = ( 0.2689069 0.2689069 0.5000000), wk = 0.0019841 k( 195) = ( 0.2589474 0.2589474 0.5000000), wk = 0.0019841 k( 196) = ( 0.2489879 0.2489879 0.5000000), wk = 0.0019841 k( 197) = ( 0.2390284 0.2390284 0.5000000), wk = 0.0019841 k( 198) = ( 0.2290688 0.2290689 0.5000000), wk = 0.0019841 k( 199) = ( 0.2191093 0.2191093 0.5000000), wk = 0.0019841 k( 200) = ( 0.2091498 0.2091498 0.5000000), wk = 0.0019841 k( 201) = ( 0.1991903 0.1991903 0.5000000), wk = 0.0019841 k( 202) = ( 0.1892308 0.1892308 0.5000000), wk = 0.0019841 k( 203) = ( 0.1792713 0.1792713 0.5000000), wk = 0.0019841 k( 204) = ( 0.1693118 0.1693118 0.5000000), wk = 0.0019841 k( 205) = ( 0.1593522 0.1593522 0.5000000), wk = 0.0019841 k( 206) = ( 0.1493927 0.1493927 0.5000000), wk = 0.0019841 k( 207) = ( 0.1394332 0.1394332 0.5000000), wk = 0.0019841 k( 208) = ( 0.1294737 0.1294737 0.5000000), wk = 0.0019841 k( 209) = ( 0.1195142 0.1195142 0.5000000), wk = 0.0019841 k( 210) = ( 0.1095547 0.1095547 0.5000000), wk = 0.0019841 k( 211) = ( 0.0995951 0.0995952 0.5000000), wk = 0.0019841 k( 212) = ( 0.0896356 0.0896356 0.5000000), wk = 0.0019841 k( 213) = ( 0.0796761 0.0796761 0.5000000), wk = 0.0019841 k( 214) = ( 0.0697166 0.0697166 0.5000000), wk = 0.0019841 k( 215) = ( 0.0597571 0.0597571 0.5000000), wk = 0.0019841 k( 216) = ( 0.0497976 0.0497976 0.5000000), wk = 0.0019841 k( 217) = ( 0.0398381 0.0398381 0.5000000), wk = 0.0019841 k( 218) = ( 0.0298786 0.0298786 0.5000000), wk = 0.0019841 k( 219) = ( 0.0199190 0.0199190 0.5000000), wk = 0.0019841 k( 220) = ( 0.0099595 0.0099595 0.5000000), wk = 0.0019841 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 223) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0019841 k( 224) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0019841 k( 225) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0019841 k( 226) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0019841 k( 227) = ( 0.0000000 0.0000000 0.4568966), wk = 0.0019841 k( 228) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0019841 k( 229) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0019841 k( 230) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0019841 k( 231) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0019841 k( 232) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0019841 k( 233) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0019841 k( 234) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0019841 k( 235) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0019841 k( 236) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0019841 k( 237) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0019841 k( 238) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0019841 k( 239) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0019841 k( 240) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0019841 k( 241) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0019841 k( 242) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0019841 k( 243) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0019841 k( 244) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0019841 k( 245) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0019841 k( 246) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0019841 k( 247) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0019841 k( 248) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0019841 k( 249) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0019841 k( 250) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0019841 k( 251) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019841 k( 252) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0019841 k( 253) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0019841 k( 254) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0019841 k( 255) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0019841 k( 256) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0019841 k( 257) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0019841 k( 258) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0019841 k( 259) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0019841 k( 260) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0019841 k( 261) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0019841 k( 262) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0019841 k( 263) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0019841 k( 264) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0019841 k( 265) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0019841 k( 266) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0019841 k( 267) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0019841 k( 268) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0019841 k( 269) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0019841 k( 270) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0019841 k( 271) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0019841 k( 272) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0019841 k( 273) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0019841 k( 274) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0019841 k( 275) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0019841 k( 276) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0019841 k( 277) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0019841 k( 278) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0019841 k( 279) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0019841 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 281) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 282) = ( -0.0106383 0.0106383 0.0000000), wk = 0.0019841 k( 283) = ( -0.0212766 0.0212766 0.0000000), wk = 0.0019841 k( 284) = ( -0.0319149 0.0319149 0.0000000), wk = 0.0019841 k( 285) = ( -0.0425532 0.0425532 0.0000000), wk = 0.0019841 k( 286) = ( -0.0531915 0.0531915 0.0000000), wk = 0.0019841 k( 287) = ( -0.0638298 0.0638298 0.0000000), wk = 0.0019841 k( 288) = ( -0.0744681 0.0744681 0.0000000), wk = 0.0019841 k( 289) = ( -0.0851064 0.0851064 0.0000000), wk = 0.0019841 k( 290) = ( -0.0957447 0.0957447 0.0000000), wk = 0.0019841 k( 291) = ( -0.1063830 0.1063830 0.0000000), wk = 0.0019841 k( 292) = ( -0.1170213 0.1170213 0.0000000), wk = 0.0019841 k( 293) = ( -0.1276596 0.1276596 0.0000000), wk = 0.0019841 k( 294) = ( -0.1382979 0.1382979 0.0000000), wk = 0.0019841 k( 295) = ( -0.1489362 0.1489362 0.0000000), wk = 0.0019841 k( 296) = ( -0.1595745 0.1595745 0.0000000), wk = 0.0019841 k( 297) = ( -0.1702128 0.1702128 0.0000000), wk = 0.0019841 k( 298) = ( -0.1808511 0.1808511 0.0000000), wk = 0.0019841 k( 299) = ( -0.1914894 0.1914894 0.0000000), wk = 0.0019841 k( 300) = ( -0.2021277 0.2021277 0.0000000), wk = 0.0019841 k( 301) = ( -0.2127660 0.2127660 0.0000000), wk = 0.0019841 k( 302) = ( -0.2234043 0.2234043 0.0000000), wk = 0.0019841 k( 303) = ( -0.2340425 0.2340426 0.0000000), wk = 0.0019841 k( 304) = ( -0.2446809 0.2446809 0.0000000), wk = 0.0019841 k( 305) = ( -0.2553191 0.2553192 0.0000000), wk = 0.0019841 k( 306) = ( -0.2659574 0.2659574 0.0000000), wk = 0.0019841 k( 307) = ( -0.2765957 0.2765957 0.0000000), wk = 0.0019841 k( 308) = ( -0.2872340 0.2872340 0.0000000), wk = 0.0019841 k( 309) = ( -0.2978723 0.2978723 0.0000000), wk = 0.0019841 k( 310) = ( -0.3085106 0.3085106 0.0000000), wk = 0.0019841 k( 311) = ( -0.3191489 0.3191489 0.0000000), wk = 0.0019841 k( 312) = ( -0.3297872 0.3297872 0.0000000), wk = 0.0019841 k( 313) = ( -0.3404255 0.3404255 0.0000000), wk = 0.0019841 k( 314) = ( -0.3510638 0.3510638 0.0000000), wk = 0.0019841 k( 315) = ( -0.3617021 0.3617021 0.0000000), wk = 0.0019841 k( 316) = ( -0.3723404 0.3723404 0.0000000), wk = 0.0019841 k( 317) = ( -0.3829787 0.3829787 0.0000000), wk = 0.0019841 k( 318) = ( -0.3936170 0.3936170 0.0000000), wk = 0.0019841 k( 319) = ( -0.4042553 0.4042553 0.0000000), wk = 0.0019841 k( 320) = ( -0.4148936 0.4148936 0.0000000), wk = 0.0019841 k( 321) = ( -0.4255319 0.4255319 0.0000000), wk = 0.0019841 k( 322) = ( -0.4361702 0.4361702 0.0000000), wk = 0.0019841 k( 323) = ( -0.4468085 0.4468085 0.0000000), wk = 0.0019841 k( 324) = ( -0.4574468 0.4574468 0.0000000), wk = 0.0019841 k( 325) = ( -0.4680851 0.4680851 0.0000000), wk = 0.0019841 k( 326) = ( -0.4787234 0.4787234 0.0000000), wk = 0.0019841 k( 327) = ( -0.4893617 0.4893617 0.0000000), wk = 0.0019841 k( 328) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019841 k( 329) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019841 k( 330) = ( -0.4920243 0.5079757 0.0000000), wk = 0.0019841 k( 331) = ( -0.4840486 0.5159514 0.0000000), wk = 0.0019841 k( 332) = ( -0.4760729 0.5239271 0.0000000), wk = 0.0019841 k( 333) = ( -0.4680972 0.5319028 0.0000000), wk = 0.0019841 k( 334) = ( -0.4680972 0.5319028 0.0000000), wk = 0.0019841 k( 335) = ( -0.4680972 0.5319028 0.0086207), wk = 0.0019841 k( 336) = ( -0.4680972 0.5319028 0.0172414), wk = 0.0019841 k( 337) = ( -0.4680972 0.5319028 0.0258621), wk = 0.0019841 k( 338) = ( -0.4680972 0.5319028 0.0344828), wk = 0.0019841 k( 339) = ( -0.4680972 0.5319028 0.0431035), wk = 0.0019841 k( 340) = ( -0.4680972 0.5319028 0.0517241), wk = 0.0019841 k( 341) = ( -0.4680972 0.5319028 0.0603448), wk = 0.0019841 k( 342) = ( -0.4680972 0.5319028 0.0689655), wk = 0.0019841 k( 343) = ( -0.4680972 0.5319028 0.0775862), wk = 0.0019841 k( 344) = ( -0.4680972 0.5319028 0.0862069), wk = 0.0019841 k( 345) = ( -0.4680972 0.5319028 0.0948276), wk = 0.0019841 k( 346) = ( -0.4680972 0.5319028 0.1034483), wk = 0.0019841 k( 347) = ( -0.4680972 0.5319028 0.1120690), wk = 0.0019841 k( 348) = ( -0.4680972 0.5319028 0.1206897), wk = 0.0019841 k( 349) = ( -0.4680972 0.5319028 0.1293103), wk = 0.0019841 k( 350) = ( -0.4680972 0.5319028 0.1379310), wk = 0.0019841 k( 351) = ( -0.4680972 0.5319028 0.1465517), wk = 0.0019841 k( 352) = ( -0.4680972 0.5319028 0.1551724), wk = 0.0019841 k( 353) = ( -0.4680972 0.5319028 0.1637931), wk = 0.0019841 k( 354) = ( -0.4680972 0.5319028 0.1724138), wk = 0.0019841 k( 355) = ( -0.4680972 0.5319028 0.1810345), wk = 0.0019841 k( 356) = ( -0.4680972 0.5319028 0.1896552), wk = 0.0019841 k( 357) = ( -0.4680972 0.5319028 0.1982759), wk = 0.0019841 k( 358) = ( -0.4680972 0.5319028 0.2068966), wk = 0.0019841 k( 359) = ( -0.4680972 0.5319028 0.2155172), wk = 0.0019841 k( 360) = ( -0.4680972 0.5319028 0.2241379), wk = 0.0019841 k( 361) = ( -0.4680972 0.5319028 0.2327586), wk = 0.0019841 k( 362) = ( -0.4680972 0.5319028 0.2413793), wk = 0.0019841 k( 363) = ( -0.4680972 0.5319028 0.2500000), wk = 0.0019841 k( 364) = ( -0.4680972 0.5319028 0.2586207), wk = 0.0019841 k( 365) = ( -0.4680972 0.5319028 0.2672414), wk = 0.0019841 k( 366) = ( -0.4680972 0.5319028 0.2758621), wk = 0.0019841 k( 367) = ( -0.4680972 0.5319028 0.2844828), wk = 0.0019841 k( 368) = ( -0.4680972 0.5319028 0.2931035), wk = 0.0019841 k( 369) = ( -0.4680972 0.5319028 0.3017241), wk = 0.0019841 k( 370) = ( -0.4680972 0.5319028 0.3103448), wk = 0.0019841 k( 371) = ( -0.4680972 0.5319028 0.3189655), wk = 0.0019841 k( 372) = ( -0.4680972 0.5319028 0.3275862), wk = 0.0019841 k( 373) = ( -0.4680972 0.5319028 0.3362069), wk = 0.0019841 k( 374) = ( -0.4680972 0.5319028 0.3448276), wk = 0.0019841 k( 375) = ( -0.4680972 0.5319028 0.3534483), wk = 0.0019841 k( 376) = ( -0.4680972 0.5319028 0.3620690), wk = 0.0019841 k( 377) = ( -0.4680972 0.5319028 0.3706897), wk = 0.0019841 k( 378) = ( -0.4680972 0.5319028 0.3793103), wk = 0.0019841 k( 379) = ( -0.4680972 0.5319028 0.3879310), wk = 0.0019841 k( 380) = ( -0.4680972 0.5319028 0.3965517), wk = 0.0019841 k( 381) = ( -0.4680972 0.5319028 0.4051724), wk = 0.0019841 k( 382) = ( -0.4680972 0.5319028 0.4137931), wk = 0.0019841 k( 383) = ( -0.4680972 0.5319028 0.4224138), wk = 0.0019841 k( 384) = ( -0.4680972 0.5319028 0.4310345), wk = 0.0019841 k( 385) = ( -0.4680972 0.5319028 0.4396552), wk = 0.0019841 k( 386) = ( -0.4680972 0.5319028 0.4482759), wk = 0.0019841 k( 387) = ( -0.4680972 0.5319028 0.4568966), wk = 0.0019841 k( 388) = ( -0.4680972 0.5319028 0.4655172), wk = 0.0019841 k( 389) = ( -0.4680972 0.5319028 0.4741379), wk = 0.0019841 k( 390) = ( -0.4680972 0.5319028 0.4827586), wk = 0.0019841 k( 391) = ( -0.4680972 0.5319028 0.4913793), wk = 0.0019841 k( 392) = ( -0.4680972 0.5319028 0.5000000), wk = 0.0019841 k( 393) = ( -0.4680972 0.5319028 0.5000000), wk = 0.0019841 k( 394) = ( -0.4760729 0.5239271 0.5000000), wk = 0.0019841 k( 395) = ( -0.4840486 0.5159514 0.5000000), wk = 0.0019841 k( 396) = ( -0.4920243 0.5079757 0.5000000), wk = 0.0019841 k( 397) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019841 k( 398) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019841 k( 399) = ( -0.5000000 0.5000000 0.4913793), wk = 0.0019841 k( 400) = ( -0.5000000 0.5000000 0.4827586), wk = 0.0019841 k( 401) = ( -0.5000000 0.5000000 0.4741379), wk = 0.0019841 k( 402) = ( -0.5000000 0.5000000 0.4655172), wk = 0.0019841 k( 403) = ( -0.5000000 0.5000000 0.4568966), wk = 0.0019841 k( 404) = ( -0.5000000 0.5000000 0.4482759), wk = 0.0019841 k( 405) = ( -0.5000000 0.5000000 0.4396552), wk = 0.0019841 k( 406) = ( -0.5000000 0.5000000 0.4310345), wk = 0.0019841 k( 407) = ( -0.5000000 0.5000000 0.4224138), wk = 0.0019841 k( 408) = ( -0.5000000 0.5000000 0.4137931), wk = 0.0019841 k( 409) = ( -0.5000000 0.5000000 0.4051724), wk = 0.0019841 k( 410) = ( -0.5000000 0.5000000 0.3965517), wk = 0.0019841 k( 411) = ( -0.5000000 0.5000000 0.3879310), wk = 0.0019841 k( 412) = ( -0.5000000 0.5000000 0.3793103), wk = 0.0019841 k( 413) = ( -0.5000000 0.5000000 0.3706897), wk = 0.0019841 k( 414) = ( -0.5000000 0.5000000 0.3620690), wk = 0.0019841 k( 415) = ( -0.5000000 0.5000000 0.3534483), wk = 0.0019841 k( 416) = ( -0.5000000 0.5000000 0.3448276), wk = 0.0019841 k( 417) = ( -0.5000000 0.5000000 0.3362069), wk = 0.0019841 k( 418) = ( -0.5000000 0.5000000 0.3275862), wk = 0.0019841 k( 419) = ( -0.5000000 0.5000000 0.3189655), wk = 0.0019841 k( 420) = ( -0.5000000 0.5000000 0.3103448), wk = 0.0019841 k( 421) = ( -0.5000000 0.5000000 0.3017241), wk = 0.0019841 k( 422) = ( -0.5000000 0.5000000 0.2931034), wk = 0.0019841 k( 423) = ( -0.5000000 0.5000000 0.2844828), wk = 0.0019841 k( 424) = ( -0.5000000 0.5000000 0.2758621), wk = 0.0019841 k( 425) = ( -0.5000000 0.5000000 0.2672414), wk = 0.0019841 k( 426) = ( -0.5000000 0.5000000 0.2586207), wk = 0.0019841 k( 427) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0019841 k( 428) = ( -0.5000000 0.5000000 0.2413793), wk = 0.0019841 k( 429) = ( -0.5000000 0.5000000 0.2327586), wk = 0.0019841 k( 430) = ( -0.5000000 0.5000000 0.2241379), wk = 0.0019841 k( 431) = ( -0.5000000 0.5000000 0.2155172), wk = 0.0019841 k( 432) = ( -0.5000000 0.5000000 0.2068966), wk = 0.0019841 k( 433) = ( -0.5000000 0.5000000 0.1982759), wk = 0.0019841 k( 434) = ( -0.5000000 0.5000000 0.1896552), wk = 0.0019841 k( 435) = ( -0.5000000 0.5000000 0.1810345), wk = 0.0019841 k( 436) = ( -0.5000000 0.5000000 0.1724138), wk = 0.0019841 k( 437) = ( -0.5000000 0.5000000 0.1637931), wk = 0.0019841 k( 438) = ( -0.5000000 0.5000000 0.1551724), wk = 0.0019841 k( 439) = ( -0.5000000 0.5000000 0.1465517), wk = 0.0019841 k( 440) = ( -0.5000000 0.5000000 0.1379310), wk = 0.0019841 k( 441) = ( -0.5000000 0.5000000 0.1293103), wk = 0.0019841 k( 442) = ( -0.5000000 0.5000000 0.1206897), wk = 0.0019841 k( 443) = ( -0.5000000 0.5000000 0.1120690), wk = 0.0019841 k( 444) = ( -0.5000000 0.5000000 0.1034483), wk = 0.0019841 k( 445) = ( -0.5000000 0.5000000 0.0948276), wk = 0.0019841 k( 446) = ( -0.5000000 0.5000000 0.0862069), wk = 0.0019841 k( 447) = ( -0.5000000 0.5000000 0.0775862), wk = 0.0019841 k( 448) = ( -0.5000000 0.5000000 0.0689655), wk = 0.0019841 k( 449) = ( -0.5000000 0.5000000 0.0603448), wk = 0.0019841 k( 450) = ( -0.5000000 0.5000000 0.0517241), wk = 0.0019841 k( 451) = ( -0.5000000 0.5000000 0.0431035), wk = 0.0019841 k( 452) = ( -0.5000000 0.5000000 0.0344828), wk = 0.0019841 k( 453) = ( -0.5000000 0.5000000 0.0258621), wk = 0.0019841 k( 454) = ( -0.5000000 0.5000000 0.0172414), wk = 0.0019841 k( 455) = ( -0.5000000 0.5000000 0.0086207), wk = 0.0019841 k( 456) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0019841 k( 457) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 458) = ( -0.0106383 0.0106383 0.5000000), wk = 0.0019841 k( 459) = ( -0.0212766 0.0212766 0.5000000), wk = 0.0019841 k( 460) = ( -0.0319149 0.0319149 0.5000000), wk = 0.0019841 k( 461) = ( -0.0425532 0.0425532 0.5000000), wk = 0.0019841 k( 462) = ( -0.0531915 0.0531915 0.5000000), wk = 0.0019841 k( 463) = ( -0.0638298 0.0638298 0.5000000), wk = 0.0019841 k( 464) = ( -0.0744681 0.0744681 0.5000000), wk = 0.0019841 k( 465) = ( -0.0851064 0.0851064 0.5000000), wk = 0.0019841 k( 466) = ( -0.0957447 0.0957447 0.5000000), wk = 0.0019841 k( 467) = ( -0.1063830 0.1063830 0.5000000), wk = 0.0019841 k( 468) = ( -0.1170213 0.1170213 0.5000000), wk = 0.0019841 k( 469) = ( -0.1276596 0.1276596 0.5000000), wk = 0.0019841 k( 470) = ( -0.1382979 0.1382979 0.5000000), wk = 0.0019841 k( 471) = ( -0.1489362 0.1489362 0.5000000), wk = 0.0019841 k( 472) = ( -0.1595745 0.1595745 0.5000000), wk = 0.0019841 k( 473) = ( -0.1702128 0.1702128 0.5000000), wk = 0.0019841 k( 474) = ( -0.1808511 0.1808511 0.5000000), wk = 0.0019841 k( 475) = ( -0.1914894 0.1914894 0.5000000), wk = 0.0019841 k( 476) = ( -0.2021277 0.2021277 0.5000000), wk = 0.0019841 k( 477) = ( -0.2127660 0.2127660 0.5000000), wk = 0.0019841 k( 478) = ( -0.2234043 0.2234043 0.5000000), wk = 0.0019841 k( 479) = ( -0.2340425 0.2340426 0.5000000), wk = 0.0019841 k( 480) = ( -0.2446809 0.2446809 0.5000000), wk = 0.0019841 k( 481) = ( -0.2553191 0.2553192 0.5000000), wk = 0.0019841 k( 482) = ( -0.2659574 0.2659574 0.5000000), wk = 0.0019841 k( 483) = ( -0.2765957 0.2765957 0.5000000), wk = 0.0019841 k( 484) = ( -0.2872340 0.2872340 0.5000000), wk = 0.0019841 k( 485) = ( -0.2978723 0.2978723 0.5000000), wk = 0.0019841 k( 486) = ( -0.3085106 0.3085106 0.5000000), wk = 0.0019841 k( 487) = ( -0.3191489 0.3191489 0.5000000), wk = 0.0019841 k( 488) = ( -0.3297872 0.3297872 0.5000000), wk = 0.0019841 k( 489) = ( -0.3404255 0.3404255 0.5000000), wk = 0.0019841 k( 490) = ( -0.3510638 0.3510638 0.5000000), wk = 0.0019841 k( 491) = ( -0.3617021 0.3617021 0.5000000), wk = 0.0019841 k( 492) = ( -0.3723404 0.3723404 0.5000000), wk = 0.0019841 k( 493) = ( -0.3829787 0.3829787 0.5000000), wk = 0.0019841 k( 494) = ( -0.3936170 0.3936170 0.5000000), wk = 0.0019841 k( 495) = ( -0.4042553 0.4042553 0.5000000), wk = 0.0019841 k( 496) = ( -0.4148936 0.4148936 0.5000000), wk = 0.0019841 k( 497) = ( -0.4255319 0.4255319 0.5000000), wk = 0.0019841 k( 498) = ( -0.4361702 0.4361702 0.5000000), wk = 0.0019841 k( 499) = ( -0.4468085 0.4468085 0.5000000), wk = 0.0019841 k( 500) = ( -0.4574468 0.4574468 0.5000000), wk = 0.0019841 k( 501) = ( -0.4680851 0.4680851 0.5000000), wk = 0.0019841 k( 502) = ( -0.4787234 0.4787234 0.5000000), wk = 0.0019841 k( 503) = ( -0.4893617 0.4893617 0.5000000), wk = 0.0019841 k( 504) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019841 Dense grid: 40103 G-vectors FFT dimensions: ( 54, 54, 30) Smooth grid: 17517 G-vectors FFT dimensions: ( 40, 40, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 136, 34) NL pseudopotentials 0.08 Mb ( 68, 76) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 1114) G-vector shells 0.00 Mb ( 585) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 136, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.08 Mb ( 76, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./AgCNO.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.4 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.7 secs Computing kpt #: 23 total cpu time spent up to now is 6.9 secs Computing kpt #: 24 total cpu time spent up to now is 7.0 secs Computing kpt #: 25 total cpu time spent up to now is 7.2 secs Computing kpt #: 26 total cpu time spent up to now is 7.4 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.7 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 9.5 secs Computing kpt #: 32 total cpu time spent up to now is 9.7 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.3 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 10.9 secs Computing kpt #: 40 total cpu time spent up to now is 11.1 secs Computing kpt #: 41 total cpu time spent up to now is 11.2 secs Computing kpt #: 42 total cpu time spent up to now is 11.4 secs Computing kpt #: 43 total cpu time spent up to now is 11.6 secs Computing kpt #: 44 total cpu time spent up to now is 11.8 secs Computing kpt #: 45 total cpu time spent up to now is 11.9 secs Computing kpt #: 46 total cpu time spent up to now is 12.1 secs Computing kpt #: 47 total cpu time spent up to now is 12.2 secs Computing kpt #: 48 total cpu time spent up to now is 12.4 secs Computing kpt #: 49 total cpu time spent up to now is 12.6 secs Computing kpt #: 50 total cpu time spent up to now is 12.7 secs Computing kpt #: 51 total cpu time spent up to now is 12.9 secs Computing kpt #: 52 total cpu time spent up to now is 13.0 secs Computing kpt #: 53 total cpu time spent up to now is 13.2 secs Computing kpt #: 54 total cpu time spent up to now is 13.4 secs Computing kpt #: 55 total cpu time spent up to now is 13.5 secs Computing kpt #: 56 total cpu time spent up to now is 13.7 secs Computing kpt #: 57 total cpu time spent up to now is 13.9 secs Computing kpt #: 58 total cpu time spent up to now is 14.0 secs Computing kpt #: 59 total cpu time spent up to now is 14.2 secs Computing kpt #: 60 total cpu time spent up to now is 14.3 secs Computing kpt #: 61 total cpu time spent up to now is 14.5 secs Computing kpt #: 62 total cpu time spent up to now is 14.6 secs Computing kpt #: 63 total cpu time spent up to now is 14.8 secs Computing kpt #: 64 total cpu time spent up to now is 14.9 secs Computing kpt #: 65 total cpu time spent up to now is 15.1 secs Computing kpt #: 66 total cpu time spent up to now is 15.2 secs Computing kpt #: 67 total cpu time spent up to now is 15.4 secs Computing kpt #: 68 total cpu time spent up to now is 15.5 secs Computing kpt #: 69 total cpu time spent up to now is 15.7 secs Computing kpt #: 70 total cpu time spent up to now is 15.8 secs Computing kpt #: 71 total cpu time spent up to now is 15.9 secs Computing kpt #: 72 total cpu time spent up to now is 16.1 secs Computing kpt #: 73 total cpu time spent up to now is 16.2 secs Computing kpt #: 74 total cpu time spent up to now is 16.4 secs Computing kpt #: 75 total cpu time spent up to now is 16.5 secs Computing kpt #: 76 total cpu time spent up to now is 16.7 secs Computing kpt #: 77 total cpu time spent up to now is 16.8 secs Computing kpt #: 78 total cpu time spent up to now is 16.9 secs Computing kpt #: 79 total cpu time spent up to now is 17.1 secs Computing kpt #: 80 total cpu time spent up to now is 17.2 secs Computing kpt #: 81 total cpu time spent up to now is 17.4 secs Computing kpt #: 82 total cpu time spent up to now is 17.5 secs Computing kpt #: 83 total cpu time spent up to now is 17.6 secs Computing kpt #: 84 total cpu time spent up to now is 17.8 secs Computing kpt #: 85 total cpu time spent up to now is 17.9 secs Computing kpt #: 86 total cpu time spent up to now is 18.1 secs Computing kpt #: 87 total cpu time spent up to now is 18.2 secs Computing kpt #: 88 total cpu time spent up to now is 18.3 secs Computing kpt #: 89 total cpu time spent up to now is 18.5 secs Computing kpt #: 90 total cpu time spent up to now is 18.6 secs Computing kpt #: 91 total cpu time spent up to now is 18.8 secs Computing kpt #: 92 total cpu time spent up to now is 18.9 secs Computing kpt #: 93 total cpu time spent up to now is 19.1 secs Computing kpt #: 94 total cpu time spent up to now is 19.2 secs Computing kpt #: 95 total cpu time spent up to now is 19.3 secs Computing kpt #: 96 total cpu time spent up to now is 19.5 secs Computing kpt #: 97 total cpu time spent up to now is 19.6 secs Computing kpt #: 98 total cpu time spent up to now is 19.7 secs Computing kpt #: 99 total cpu time spent up to now is 19.9 secs Computing kpt #: 100 total cpu time spent up to now is 20.0 secs Computing kpt #: 101 total cpu time spent up to now is 20.1 secs Computing kpt #: 102 total cpu time spent up to now is 20.3 secs Computing kpt #: 103 total cpu time spent up to now is 20.4 secs Computing kpt #: 104 total cpu time spent up to now is 20.5 secs Computing kpt #: 105 total cpu time spent up to now is 20.7 secs Computing kpt #: 106 total cpu time spent up to now is 20.8 secs Computing kpt #: 107 total cpu time spent up to now is 20.9 secs Computing kpt #: 108 total cpu time spent up to now is 21.1 secs Computing kpt #: 109 total cpu time spent up to now is 21.2 secs Computing kpt #: 110 total cpu time spent up to now is 21.3 secs Computing kpt #: 111 total cpu time spent up to now is 21.5 secs Computing kpt #: 112 total cpu time spent up to now is 21.6 secs Computing kpt #: 113 total cpu time spent up to now is 21.8 secs Computing kpt #: 114 total cpu time spent up to now is 21.9 secs Computing kpt #: 115 total cpu time spent up to now is 22.1 secs Computing kpt #: 116 total cpu time spent up to now is 22.2 secs Computing kpt #: 117 total cpu time spent up to now is 22.4 secs Computing kpt #: 118 total cpu time spent up to now is 22.5 secs Computing kpt #: 119 total cpu time spent up to now is 22.6 secs Computing kpt #: 120 total cpu time spent up to now is 22.8 secs Computing kpt #: 121 total cpu time spent up to now is 22.9 secs Computing kpt #: 122 total cpu time spent up to now is 23.1 secs Computing kpt #: 123 total cpu time spent up to now is 23.2 secs Computing kpt #: 124 total cpu time spent up to now is 23.4 secs Computing kpt #: 125 total cpu time spent up to now is 23.5 secs Computing kpt #: 126 total cpu time spent up to now is 23.7 secs Computing kpt #: 127 total cpu time spent up to now is 23.8 secs Computing kpt #: 128 total cpu time spent up to now is 24.0 secs Computing kpt #: 129 total cpu time spent up to now is 24.1 secs Computing kpt #: 130 total cpu time spent up to now is 24.3 secs Computing kpt #: 131 total cpu time spent up to now is 24.5 secs Computing kpt #: 132 total cpu time spent up to now is 24.6 secs Computing kpt #: 133 total cpu time spent up to now is 24.8 secs Computing kpt #: 134 total cpu time spent up to now is 25.0 secs Computing kpt #: 135 total cpu time spent up to now is 25.2 secs Computing kpt #: 136 total cpu time spent up to now is 25.4 secs Computing kpt #: 137 total cpu time spent up to now is 25.6 secs Computing kpt #: 138 total cpu time spent up to now is 25.8 secs Computing kpt #: 139 total cpu time spent up to now is 26.0 secs Computing kpt #: 140 total cpu time spent up to now is 26.2 secs Computing kpt #: 141 total cpu time spent up to now is 26.4 secs Computing kpt #: 142 total cpu time spent up to now is 26.5 secs Computing kpt #: 143 total cpu time spent up to now is 26.7 secs Computing kpt #: 144 total cpu time spent up to now is 26.9 secs Computing kpt #: 145 total cpu time spent up to now is 27.1 secs Computing kpt #: 146 total cpu time spent up to now is 27.3 secs Computing kpt #: 147 total cpu time spent up to now is 27.5 secs Computing kpt #: 148 total cpu time spent up to now is 27.7 secs Computing kpt #: 149 total cpu time spent up to now is 27.9 secs Computing kpt #: 150 total cpu time spent up to now is 28.1 secs Computing kpt #: 151 total cpu time spent up to now is 28.3 secs Computing kpt #: 152 total cpu time spent up to now is 28.5 secs Computing kpt #: 153 total cpu time spent up to now is 28.7 secs Computing kpt #: 154 total cpu time spent up to now is 28.9 secs Computing kpt #: 155 total cpu time spent up to now is 29.0 secs Computing kpt #: 156 total cpu time spent up to now is 29.2 secs Computing kpt #: 157 total cpu time spent up to now is 29.4 secs Computing kpt #: 158 total cpu time spent up to now is 29.6 secs Computing kpt #: 159 total cpu time spent up to now is 29.7 secs Computing kpt #: 160 total cpu time spent up to now is 29.9 secs Computing kpt #: 161 total cpu time spent up to now is 30.1 secs Computing kpt #: 162 total cpu time spent up to now is 30.3 secs Computing kpt #: 163 total cpu time spent up to now is 30.4 secs Computing kpt #: 164 total cpu time spent up to now is 30.6 secs Computing kpt #: 165 total cpu time spent up to now is 30.8 secs Computing kpt #: 166 total cpu time spent up to now is 30.9 secs Computing kpt #: 167 total cpu time spent up to now is 31.1 secs Computing kpt #: 168 total cpu time spent up to now is 31.3 secs Computing kpt #: 169 total cpu time spent up to now is 31.4 secs Computing kpt #: 170 total cpu time spent up to now is 31.6 secs Computing kpt #: 171 total cpu time spent up to now is 31.8 secs Computing kpt #: 172 total cpu time spent up to now is 31.9 secs Computing kpt #: 173 total cpu time spent up to now is 32.1 secs Computing kpt #: 174 total cpu time spent up to now is 32.2 secs Computing kpt #: 175 total cpu time spent up to now is 32.4 secs Computing kpt #: 176 total cpu time spent up to now is 32.6 secs Computing kpt #: 177 total cpu time spent up to now is 32.7 secs Computing kpt #: 178 total cpu time spent up to now is 32.9 secs Computing kpt #: 179 total cpu time spent up to now is 33.1 secs Computing kpt #: 180 total cpu time spent up to now is 33.2 secs Computing kpt #: 181 total cpu time spent up to now is 33.4 secs Computing kpt #: 182 total cpu time spent up to now is 33.6 secs Computing kpt #: 183 total cpu time spent up to now is 33.7 secs Computing kpt #: 184 total cpu time spent up to now is 33.9 secs Computing kpt #: 185 total cpu time spent up to now is 34.1 secs Computing kpt #: 186 total cpu time spent up to now is 34.2 secs Computing kpt #: 187 total cpu time spent up to now is 34.4 secs Computing kpt #: 188 total cpu time spent up to now is 34.6 secs Computing kpt #: 189 total cpu time spent up to now is 34.7 secs Computing kpt #: 190 total cpu time spent up to now is 34.9 secs Computing kpt #: 191 total cpu time spent up to now is 35.1 secs Computing kpt #: 192 total cpu time spent up to now is 35.2 secs Computing kpt #: 193 total cpu time spent up to now is 35.4 secs Computing kpt #: 194 total cpu time spent up to now is 35.6 secs Computing kpt #: 195 total cpu time spent up to now is 35.7 secs Computing kpt #: 196 total cpu time spent up to now is 35.9 secs Computing kpt #: 197 total cpu time spent up to now is 36.1 secs Computing kpt #: 198 total cpu time spent up to now is 36.3 secs Computing kpt #: 199 total cpu time spent up to now is 36.5 secs Computing kpt #: 200 total cpu time spent up to now is 36.6 secs Computing kpt #: 201 total cpu time spent up to now is 36.8 secs Computing kpt #: 202 total cpu time spent up to now is 37.0 secs Computing kpt #: 203 total cpu time spent up to now is 37.2 secs Computing kpt #: 204 total cpu time spent up to now is 37.4 secs Computing kpt #: 205 total cpu time spent up to now is 37.6 secs Computing kpt #: 206 total cpu time spent up to now is 37.8 secs Computing kpt #: 207 total cpu time spent up to now is 38.0 secs Computing kpt #: 208 total cpu time spent up to now is 38.1 secs Computing kpt #: 209 total cpu time spent up to now is 38.3 secs Computing kpt #: 210 total cpu time spent up to now is 38.5 secs Computing kpt #: 211 total cpu time spent up to now is 38.7 secs Computing kpt #: 212 total cpu time spent up to now is 38.8 secs Computing kpt #: 213 total cpu time spent up to now is 39.0 secs Computing kpt #: 214 total cpu time spent up to now is 39.2 secs Computing kpt #: 215 total cpu time spent up to now is 39.3 secs Computing kpt #: 216 total cpu time spent up to now is 39.5 secs Computing kpt #: 217 total cpu time spent up to now is 39.6 secs Computing kpt #: 218 total cpu time spent up to now is 39.8 secs Computing kpt #: 219 total cpu time spent up to now is 40.0 secs Computing kpt #: 220 total cpu time spent up to now is 40.1 secs Computing kpt #: 221 total cpu time spent up to now is 40.3 secs Computing kpt #: 222 total cpu time spent up to now is 40.4 secs Computing kpt #: 223 total cpu time spent up to now is 40.6 secs Computing kpt #: 224 total cpu time spent up to now is 40.7 secs Computing kpt #: 225 total cpu time spent up to now is 40.9 secs Computing kpt #: 226 total cpu time spent up to now is 41.1 secs Computing kpt #: 227 total cpu time spent up to now is 41.2 secs Computing kpt #: 228 total cpu time spent up to now is 41.4 secs Computing kpt #: 229 total cpu time spent up to now is 41.5 secs Computing kpt #: 230 total cpu time spent up to now is 41.7 secs Computing kpt #: 231 total cpu time spent up to now is 41.9 secs Computing kpt #: 232 total cpu time spent up to now is 42.0 secs Computing kpt #: 233 total cpu time spent up to now is 42.2 secs Computing kpt #: 234 total cpu time spent up to now is 42.3 secs Computing kpt #: 235 total cpu time spent up to now is 42.5 secs Computing kpt #: 236 total cpu time spent up to now is 42.6 secs Computing kpt #: 237 total cpu time spent up to now is 42.8 secs Computing kpt #: 238 total cpu time spent up to now is 42.9 secs Computing kpt #: 239 total cpu time spent up to now is 43.1 secs Computing kpt #: 240 total cpu time spent up to now is 43.3 secs Computing kpt #: 241 total cpu time spent up to now is 43.4 secs Computing kpt #: 242 total cpu time spent up to now is 43.6 secs Computing kpt #: 243 total cpu time spent up to now is 43.8 secs Computing kpt #: 244 total cpu time spent up to now is 44.1 secs Computing kpt #: 245 total cpu time spent up to now is 44.3 secs Computing kpt #: 246 total cpu time spent up to now is 44.5 secs Computing kpt #: 247 total cpu time spent up to now is 44.8 secs Computing kpt #: 248 total cpu time spent up to now is 45.0 secs Computing kpt #: 249 total cpu time spent up to now is 45.2 secs Computing kpt #: 250 total cpu time spent up to now is 45.4 secs Computing kpt #: 251 total cpu time spent up to now is 45.6 secs Computing kpt #: 252 total cpu time spent up to now is 45.8 secs Computing kpt #: 253 total cpu time spent up to now is 46.0 secs Computing kpt #: 254 total cpu time spent up to now is 46.2 secs Computing kpt #: 255 total cpu time spent up to now is 46.4 secs Computing kpt #: 256 total cpu time spent up to now is 46.6 secs Computing kpt #: 257 total cpu time spent up to now is 46.8 secs Computing kpt #: 258 total cpu time spent up to now is 47.0 secs Computing kpt #: 259 total cpu time spent up to now is 47.1 secs Computing kpt #: 260 total cpu time spent up to now is 47.3 secs Computing kpt #: 261 total cpu time spent up to now is 47.5 secs Computing kpt #: 262 total cpu time spent up to now is 47.7 secs Computing kpt #: 263 total cpu time spent up to now is 47.9 secs Computing kpt #: 264 total cpu time spent up to now is 48.1 secs Computing kpt #: 265 total cpu time spent up to now is 48.3 secs Computing kpt #: 266 total cpu time spent up to now is 48.5 secs Computing kpt #: 267 total cpu time spent up to now is 48.7 secs Computing kpt #: 268 total cpu time spent up to now is 48.9 secs Computing kpt #: 269 total cpu time spent up to now is 49.1 secs Computing kpt #: 270 total cpu time spent up to now is 49.3 secs Computing kpt #: 271 total cpu time spent up to now is 49.5 secs Computing kpt #: 272 total cpu time spent up to now is 49.7 secs Computing kpt #: 273 total cpu time spent up to now is 49.9 secs Computing kpt #: 274 total cpu time spent up to now is 50.1 secs Computing kpt #: 275 total cpu time spent up to now is 50.3 secs Computing kpt #: 276 total cpu time spent up to now is 50.4 secs Computing kpt #: 277 total cpu time spent up to now is 50.6 secs Computing kpt #: 278 total cpu time spent up to now is 50.8 secs Computing kpt #: 279 total cpu time spent up to now is 51.0 secs Computing kpt #: 280 total cpu time spent up to now is 51.2 secs Computing kpt #: 281 total cpu time spent up to now is 51.4 secs Computing kpt #: 282 total cpu time spent up to now is 51.6 secs Computing kpt #: 283 total cpu time spent up to now is 51.7 secs Computing kpt #: 284 total cpu time spent up to now is 51.9 secs Computing kpt #: 285 total cpu time spent up to now is 52.1 secs Computing kpt #: 286 total cpu time spent up to now is 52.3 secs Computing kpt #: 287 total cpu time spent up to now is 52.5 secs Computing kpt #: 288 total cpu time spent up to now is 52.7 secs Computing kpt #: 289 total cpu time spent up to now is 52.9 secs Computing kpt #: 290 total cpu time spent up to now is 53.0 secs Computing kpt #: 291 total cpu time spent up to now is 53.2 secs Computing kpt #: 292 total cpu time spent up to now is 53.3 secs Computing kpt #: 293 total cpu time spent up to now is 53.5 secs Computing kpt #: 294 total cpu time spent up to now is 53.6 secs Computing kpt #: 295 total cpu time spent up to now is 53.8 secs Computing kpt #: 296 total cpu time spent up to now is 54.0 secs Computing kpt #: 297 total cpu time spent up to now is 54.1 secs Computing kpt #: 298 total cpu time spent up to now is 54.3 secs Computing kpt #: 299 total cpu time spent up to now is 54.4 secs Computing kpt #: 300 total cpu time spent up to now is 54.6 secs Computing kpt #: 301 total cpu time spent up to now is 54.7 secs Computing kpt #: 302 total cpu time spent up to now is 54.9 secs Computing kpt #: 303 total cpu time spent up to now is 55.0 secs Computing kpt #: 304 total cpu time spent up to now is 55.2 secs Computing kpt #: 305 total cpu time spent up to now is 55.3 secs Computing kpt #: 306 total cpu time spent up to now is 55.5 secs Computing kpt #: 307 total cpu time spent up to now is 55.6 secs Computing kpt #: 308 total cpu time spent up to now is 55.8 secs Computing kpt #: 309 total cpu time spent up to now is 55.9 secs Computing kpt #: 310 total cpu time spent up to now is 56.1 secs Computing kpt #: 311 total cpu time spent up to now is 56.2 secs Computing kpt #: 312 total cpu time spent up to now is 56.4 secs Computing kpt #: 313 total cpu time spent up to now is 56.5 secs Computing kpt #: 314 total cpu time spent up to now is 56.7 secs Computing kpt #: 315 total cpu time spent up to now is 56.8 secs Computing kpt #: 316 total cpu time spent up to now is 57.0 secs Computing kpt #: 317 total cpu time spent up to now is 57.1 secs Computing kpt #: 318 total cpu time spent up to now is 57.3 secs Computing kpt #: 319 total cpu time spent up to now is 57.4 secs Computing kpt #: 320 total cpu time spent up to now is 57.6 secs Computing kpt #: 321 total cpu time spent up to now is 57.7 secs Computing kpt #: 322 total cpu time spent up to now is 57.9 secs Computing kpt #: 323 total cpu time spent up to now is 58.1 secs Computing kpt #: 324 total cpu time spent up to now is 58.2 secs Computing kpt #: 325 total cpu time spent up to now is 58.4 secs Computing kpt #: 326 total cpu time spent up to now is 58.5 secs Computing kpt #: 327 total cpu time spent up to now is 58.7 secs Computing kpt #: 328 total cpu time spent up to now is 58.8 secs Computing kpt #: 329 total cpu time spent up to now is 59.0 secs Computing kpt #: 330 total cpu time spent up to now is 59.1 secs Computing kpt #: 331 total cpu time spent up to now is 59.3 secs Computing kpt #: 332 total cpu time spent up to now is 59.4 secs Computing kpt #: 333 total cpu time spent up to now is 59.6 secs Computing kpt #: 334 total cpu time spent up to now is 59.7 secs Computing kpt #: 335 total cpu time spent up to now is 59.9 secs Computing kpt #: 336 total cpu time spent up to now is 60.0 secs Computing kpt #: 337 total cpu time spent up to now is 60.2 secs Computing kpt #: 338 total cpu time spent up to now is 60.3 secs Computing kpt #: 339 total cpu time spent up to now is 60.5 secs Computing kpt #: 340 total cpu time spent up to now is 60.6 secs Computing kpt #: 341 total cpu time spent up to now is 60.8 secs Computing kpt #: 342 total cpu time spent up to now is 61.0 secs Computing kpt #: 343 total cpu time spent up to now is 61.1 secs Computing kpt #: 344 total cpu time spent up to now is 61.3 secs Computing kpt #: 345 total cpu time spent up to now is 61.4 secs Computing kpt #: 346 total cpu time spent up to now is 61.6 secs Computing kpt #: 347 total cpu time spent up to now is 61.7 secs Computing kpt #: 348 total cpu time spent up to now is 61.9 secs Computing kpt #: 349 total cpu time spent up to now is 62.1 secs Computing kpt #: 350 total cpu time spent up to now is 62.2 secs Computing kpt #: 351 total cpu time spent up to now is 62.4 secs Computing kpt #: 352 total cpu time spent up to now is 62.6 secs Computing kpt #: 353 total cpu time spent up to now is 62.8 secs Computing kpt #: 354 total cpu time spent up to now is 62.9 secs Computing kpt #: 355 total cpu time spent up to now is 63.1 secs Computing kpt #: 356 total cpu time spent up to now is 63.3 secs Computing kpt #: 357 total cpu time spent up to now is 63.4 secs Computing kpt #: 358 total cpu time spent up to now is 63.6 secs Computing kpt #: 359 total cpu time spent up to now is 63.7 secs Computing kpt #: 360 total cpu time spent up to now is 63.9 secs Computing kpt #: 361 total cpu time spent up to now is 64.1 secs Computing kpt #: 362 total cpu time spent up to now is 64.2 secs Computing kpt #: 363 total cpu time spent up to now is 64.4 secs Computing kpt #: 364 total cpu time spent up to now is 64.6 secs Computing kpt #: 365 total cpu time spent up to now is 64.7 secs Computing kpt #: 366 total cpu time spent up to now is 64.9 secs Computing kpt #: 367 total cpu time spent up to now is 65.1 secs Computing kpt #: 368 total cpu time spent up to now is 65.2 secs Computing kpt #: 369 total cpu time spent up to now is 65.4 secs Computing kpt #: 370 total cpu time spent up to now is 65.6 secs Computing kpt #: 371 total cpu time spent up to now is 65.7 secs Computing kpt #: 372 total cpu time spent up to now is 65.9 secs Computing kpt #: 373 total cpu time spent up to now is 66.1 secs Computing kpt #: 374 total cpu time spent up to now is 66.2 secs Computing kpt #: 375 total cpu time spent up to now is 66.4 secs Computing kpt #: 376 total cpu time spent up to now is 66.6 secs Computing kpt #: 377 total cpu time spent up to now is 66.7 secs Computing kpt #: 378 total cpu time spent up to now is 66.9 secs Computing kpt #: 379 total cpu time spent up to now is 67.1 secs Computing kpt #: 380 total cpu time spent up to now is 67.2 secs Computing kpt #: 381 total cpu time spent up to now is 67.4 secs Computing kpt #: 382 total cpu time spent up to now is 67.6 secs Computing kpt #: 383 total cpu time spent up to now is 67.7 secs Computing kpt #: 384 total cpu time spent up to now is 67.9 secs Computing kpt #: 385 total cpu time spent up to now is 68.1 secs Computing kpt #: 386 total cpu time spent up to now is 68.2 secs Computing kpt #: 387 total cpu time spent up to now is 68.4 secs Computing kpt #: 388 total cpu time spent up to now is 68.6 secs Computing kpt #: 389 total cpu time spent up to now is 68.7 secs Computing kpt #: 390 total cpu time spent up to now is 68.9 secs Computing kpt #: 391 total cpu time spent up to now is 69.1 secs Computing kpt #: 392 total cpu time spent up to now is 69.2 secs Computing kpt #: 393 total cpu time spent up to now is 69.4 secs Computing kpt #: 394 total cpu time spent up to now is 69.5 secs Computing kpt #: 395 total cpu time spent up to now is 69.7 secs Computing kpt #: 396 total cpu time spent up to now is 69.9 secs Computing kpt #: 397 total cpu time spent up to now is 70.0 secs Computing kpt #: 398 total cpu time spent up to now is 70.2 secs Computing kpt #: 399 total cpu time spent up to now is 70.4 secs Computing kpt #: 400 total cpu time spent up to now is 70.5 secs Computing kpt #: 401 total cpu time spent up to now is 70.7 secs Computing kpt #: 402 total cpu time spent up to now is 70.8 secs Computing kpt #: 403 total cpu time spent up to now is 71.0 secs Computing kpt #: 404 total cpu time spent up to now is 71.2 secs Computing kpt #: 405 total cpu time spent up to now is 71.3 secs Computing kpt #: 406 total cpu time spent up to now is 71.5 secs Computing kpt #: 407 total cpu time spent up to now is 71.7 secs Computing kpt #: 408 total cpu time spent up to now is 71.8 secs Computing kpt #: 409 total cpu time spent up to now is 72.0 secs Computing kpt #: 410 total cpu time spent up to now is 72.2 secs Computing kpt #: 411 total cpu time spent up to now is 72.3 secs Computing kpt #: 412 total cpu time spent up to now is 72.5 secs Computing kpt #: 413 total cpu time spent up to now is 72.7 secs Computing kpt #: 414 total cpu time spent up to now is 72.8 secs Computing kpt #: 415 total cpu time spent up to now is 73.0 secs Computing kpt #: 416 total cpu time spent up to now is 73.2 secs Computing kpt #: 417 total cpu time spent up to now is 73.3 secs Computing kpt #: 418 total cpu time spent up to now is 73.5 secs Computing kpt #: 419 total cpu time spent up to now is 73.7 secs Computing kpt #: 420 total cpu time spent up to now is 73.8 secs Computing kpt #: 421 total cpu time spent up to now is 74.0 secs Computing kpt #: 422 total cpu time spent up to now is 74.1 secs Computing kpt #: 423 total cpu time spent up to now is 74.3 secs Computing kpt #: 424 total cpu time spent up to now is 74.5 secs Computing kpt #: 425 total cpu time spent up to now is 74.6 secs Computing kpt #: 426 total cpu time spent up to now is 74.8 secs Computing kpt #: 427 total cpu time spent up to now is 75.0 secs Computing kpt #: 428 total cpu time spent up to now is 75.1 secs Computing kpt #: 429 total cpu time spent up to now is 75.3 secs Computing kpt #: 430 total cpu time spent up to now is 75.4 secs Computing kpt #: 431 total cpu time spent up to now is 75.6 secs Computing kpt #: 432 total cpu time spent up to now is 75.8 secs Computing kpt #: 433 total cpu time spent up to now is 75.9 secs Computing kpt #: 434 total cpu time spent up to now is 76.1 secs Computing kpt #: 435 total cpu time spent up to now is 76.3 secs Computing kpt #: 436 total cpu time spent up to now is 76.4 secs Computing kpt #: 437 total cpu time spent up to now is 76.6 secs Computing kpt #: 438 total cpu time spent up to now is 76.7 secs Computing kpt #: 439 total cpu time spent up to now is 76.9 secs Computing kpt #: 440 total cpu time spent up to now is 77.1 secs Computing kpt #: 441 total cpu time spent up to now is 77.2 secs Computing kpt #: 442 total cpu time spent up to now is 77.4 secs Computing kpt #: 443 total cpu time spent up to now is 77.5 secs Computing kpt #: 444 total cpu time spent up to now is 77.7 secs Computing kpt #: 445 total cpu time spent up to now is 77.8 secs Computing kpt #: 446 total cpu time spent up to now is 78.0 secs Computing kpt #: 447 total cpu time spent up to now is 78.1 secs Computing kpt #: 448 total cpu time spent up to now is 78.3 secs Computing kpt #: 449 total cpu time spent up to now is 78.5 secs Computing kpt #: 450 total cpu time spent up to now is 78.7 secs Computing kpt #: 451 total cpu time spent up to now is 78.8 secs Computing kpt #: 452 total cpu time spent up to now is 79.0 secs Computing kpt #: 453 total cpu time spent up to now is 79.1 secs Computing kpt #: 454 total cpu time spent up to now is 79.3 secs Computing kpt #: 455 total cpu time spent up to now is 79.4 secs Computing kpt #: 456 total cpu time spent up to now is 79.6 secs Computing kpt #: 457 total cpu time spent up to now is 79.7 secs Computing kpt #: 458 total cpu time spent up to now is 79.9 secs Computing kpt #: 459 total cpu time spent up to now is 80.1 secs Computing kpt #: 460 total cpu time spent up to now is 80.2 secs Computing kpt #: 461 total cpu time spent up to now is 80.4 secs Computing kpt #: 462 total cpu time spent up to now is 80.5 secs Computing kpt #: 463 total cpu time spent up to now is 80.7 secs Computing kpt #: 464 total cpu time spent up to now is 80.9 secs Computing kpt #: 465 total cpu time spent up to now is 81.0 secs Computing kpt #: 466 total cpu time spent up to now is 81.2 secs Computing kpt #: 467 total cpu time spent up to now is 81.4 secs Computing kpt #: 468 total cpu time spent up to now is 81.5 secs Computing kpt #: 469 total cpu time spent up to now is 81.7 secs Computing kpt #: 470 total cpu time spent up to now is 81.9 secs Computing kpt #: 471 total cpu time spent up to now is 82.1 secs Computing kpt #: 472 total cpu time spent up to now is 82.2 secs Computing kpt #: 473 total cpu time spent up to now is 82.4 secs Computing kpt #: 474 total cpu time spent up to now is 82.6 secs Computing kpt #: 475 total cpu time spent up to now is 82.8 secs Computing kpt #: 476 total cpu time spent up to now is 83.0 secs Computing kpt #: 477 total cpu time spent up to now is 83.2 secs Computing kpt #: 478 total cpu time spent up to now is 83.4 secs Computing kpt #: 479 total cpu time spent up to now is 83.6 secs Computing kpt #: 480 total cpu time spent up to now is 83.8 secs Computing kpt #: 481 total cpu time spent up to now is 83.9 secs Computing kpt #: 482 total cpu time spent up to now is 84.1 secs Computing kpt #: 483 total cpu time spent up to now is 84.3 secs Computing kpt #: 484 total cpu time spent up to now is 84.5 secs Computing kpt #: 485 total cpu time spent up to now is 84.7 secs Computing kpt #: 486 total cpu time spent up to now is 84.8 secs Computing kpt #: 487 total cpu time spent up to now is 85.0 secs Computing kpt #: 488 total cpu time spent up to now is 85.2 secs Computing kpt #: 489 total cpu time spent up to now is 85.4 secs Computing kpt #: 490 total cpu time spent up to now is 85.5 secs Computing kpt #: 491 total cpu time spent up to now is 85.7 secs Computing kpt #: 492 total cpu time spent up to now is 85.9 secs Computing kpt #: 493 total cpu time spent up to now is 86.1 secs Computing kpt #: 494 total cpu time spent up to now is 86.2 secs Computing kpt #: 495 total cpu time spent up to now is 86.4 secs Computing kpt #: 496 total cpu time spent up to now is 86.6 secs Computing kpt #: 497 total cpu time spent up to now is 86.7 secs Computing kpt #: 498 total cpu time spent up to now is 86.9 secs Computing kpt #: 499 total cpu time spent up to now is 87.1 secs Computing kpt #: 500 total cpu time spent up to now is 87.2 secs Computing kpt #: 501 total cpu time spent up to now is 87.4 secs Computing kpt #: 502 total cpu time spent up to now is 87.6 secs Computing kpt #: 503 total cpu time spent up to now is 87.7 secs Computing kpt #: 504 total cpu time spent up to now is 87.9 secs ethr = 3.85E-08, avg # of iterations = 17.6 total cpu time spent up to now is 87.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2189 PWs) bands (ev): -18.0529 -18.0529 -16.7257 -16.7257 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2389 -2.2389 -2.0719 -2.0719 -1.4712 -1.4712 -1.0468 -1.0468 -0.2512 -0.2512 0.1697 0.1697 0.3967 0.3967 3.8333 3.8333 6.0888 6.0888 9.5521 9.5521 9.6508 9.6508 11.5718 11.5718 k = 0.0100 0.0107-0.0000 ( 2183 PWs) bands (ev): -18.0529 -18.0529 -16.7257 -16.7257 -7.1976 -7.1976 -3.1522 -3.1522 -2.9389 -2.9389 -2.2398 -2.2398 -2.0723 -2.0723 -1.4706 -1.4706 -1.0463 -1.0463 -0.2507 -0.2507 0.1699 0.1699 0.3969 0.3969 3.8327 3.8327 6.0888 6.0888 9.5529 9.5529 9.6498 9.6498 11.5721 11.5721 k = 0.0199 0.0213-0.0000 ( 2187 PWs) bands (ev): -18.0528 -18.0528 -16.7258 -16.7258 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2423 -2.2423 -2.0734 -2.0734 -1.4690 -1.4690 -1.0451 -1.0451 -0.2492 -0.2492 0.1704 0.1704 0.3973 0.3973 3.8308 3.8308 6.0888 6.0888 9.5554 9.5554 9.6466 9.6466 11.5732 11.5732 k = 0.0299 0.0320-0.0000 ( 2187 PWs) bands (ev): -18.0527 -18.0527 -16.7258 -16.7258 -7.1976 -7.1976 -3.1523 -3.1523 -2.9391 -2.9391 -2.2465 -2.2465 -2.0751 -2.0751 -1.4664 -1.4664 -1.0429 -1.0429 -0.2468 -0.2468 0.1712 0.1712 0.3981 0.3981 3.8276 3.8276 6.0889 6.0889 9.5594 9.5594 9.6415 9.6415 11.5750 11.5750 k = 0.0398 0.0427-0.0000 ( 2187 PWs) bands (ev): -18.0526 -18.0526 -16.7259 -16.7259 -7.1976 -7.1976 -3.1524 -3.1524 -2.9391 -2.9391 -2.2522 -2.2522 -2.0775 -2.0775 -1.4629 -1.4629 -1.0399 -1.0399 -0.2434 -0.2434 0.1724 0.1724 0.3993 0.3993 3.8232 3.8232 6.0889 6.0889 9.5649 9.5649 9.6344 9.6344 11.5775 11.5775 k = 0.0498 0.0533-0.0000 ( 2183 PWs) bands (ev): -18.0524 -18.0524 -16.7260 -16.7260 -7.1976 -7.1976 -3.1524 -3.1524 -2.9392 -2.9392 -2.2593 -2.2593 -2.0806 -2.0806 -1.4585 -1.4585 -1.0362 -1.0362 -0.2390 -0.2390 0.1739 0.1739 0.4008 0.4008 3.8176 3.8176 6.0889 6.0889 9.5717 9.5717 9.6255 9.6255 11.5807 11.5807 k = 0.0598 0.0640-0.0000 ( 2183 PWs) bands (ev): -18.0522 -18.0522 -16.7261 -16.7261 -7.1976 -7.1976 -3.1525 -3.1525 -2.9393 -2.9393 -2.2677 -2.2677 -2.0842 -2.0842 -1.4535 -1.4535 -1.0319 -1.0319 -0.2338 -0.2338 0.1757 0.1757 0.4026 0.4026 3.8109 3.8109 6.0890 6.0890 9.5792 9.5792 9.6154 9.6154 11.5847 11.5847 k = 0.0697 0.0746-0.0000 ( 2185 PWs) bands (ev): -18.0520 -18.0520 -16.7262 -16.7262 -7.1976 -7.1976 -3.1526 -3.1526 -2.9394 -2.9394 -2.2771 -2.2771 -2.0884 -2.0884 -1.4479 -1.4479 -1.0271 -1.0271 -0.2278 -0.2278 0.1779 0.1779 0.4050 0.4050 3.8031 3.8031 6.0891 6.0891 9.5850 9.5850 9.6065 9.6065 11.5893 11.5893 k = 0.0797 0.0853-0.0000 ( 2181 PWs) bands (ev): -18.0518 -18.0518 -16.7263 -16.7263 -7.1976 -7.1976 -3.1527 -3.1527 -2.9396 -2.9396 -2.2874 -2.2874 -2.0931 -2.0931 -1.4418 -1.4418 -1.0217 -1.0217 -0.2210 -0.2210 0.1803 0.1803 0.4077 0.4077 3.7942 3.7942 6.0891 6.0891 9.5802 9.5802 9.6078 9.6078 11.5948 11.5948 k = 0.0896 0.0960-0.0000 ( 2187 PWs) bands (ev): -18.0515 -18.0515 -16.7265 -16.7265 -7.1976 -7.1976 -3.1529 -3.1529 -2.9398 -2.9398 -2.2985 -2.2985 -2.0983 -2.0983 -1.4354 -1.4354 -1.0162 -1.0162 -0.2136 -0.2136 0.1829 0.1829 0.4110 0.4110 3.7845 3.7845 6.0892 6.0892 9.5663 9.5663 9.6174 9.6174 11.6009 11.6009 k = 0.0996 0.1066-0.0000 ( 2187 PWs) bands (ev): -18.0512 -18.0512 -16.7267 -16.7267 -7.1976 -7.1976 -3.1530 -3.1530 -2.9400 -2.9400 -2.3102 -2.3102 -2.1038 -2.1038 -1.4289 -1.4289 -1.0104 -1.0104 -0.2055 -0.2055 0.1858 0.1858 0.4148 0.4148 3.7739 3.7739 6.0892 6.0892 9.5495 9.5495 9.6293 9.6293 11.6078 11.6078 k = 0.1096 0.1173-0.0000 ( 2187 PWs) bands (ev): -18.0509 -18.0509 -16.7269 -16.7269 -7.1976 -7.1976 -3.1531 -3.1531 -2.9401 -2.9401 -2.3222 -2.3222 -2.1098 -2.1098 -1.4223 -1.4223 -1.0045 -1.0045 -0.1969 -0.1969 0.1889 0.1889 0.4193 0.4193 3.7627 3.7627 6.0893 6.0893 9.5310 9.5310 9.6421 9.6421 11.6154 11.6154 k = 0.1195 0.1280-0.0000 ( 2187 PWs) bands (ev): -18.0506 -18.0506 -16.7270 -16.7270 -7.1976 -7.1976 -3.1532 -3.1532 -2.9403 -2.9403 -2.3343 -2.3343 -2.1160 -2.1160 -1.4157 -1.4157 -0.9986 -0.9986 -0.1879 -0.1879 0.1922 0.1922 0.4243 0.4243 3.7508 3.7508 6.0894 6.0894 9.5113 9.5113 9.6552 9.6552 11.6194 11.6194 k = 0.1295 0.1386-0.0000 ( 2187 PWs) bands (ev): -18.0502 -18.0502 -16.7272 -16.7272 -7.1976 -7.1976 -3.1533 -3.1533 -2.9405 -2.9405 -2.3466 -2.3466 -2.1225 -2.1225 -1.4092 -1.4092 -0.9929 -0.9929 -0.1785 -0.1785 0.1955 0.1955 0.4299 0.4299 3.7384 3.7384 6.0895 6.0895 9.4905 9.4905 9.6682 9.6682 11.5799 11.5799 k = 0.1394 0.1493-0.0000 ( 2191 PWs) bands (ev): -18.0499 -18.0499 -16.7274 -16.7274 -7.1976 -7.1976 -3.1535 -3.1535 -2.9407 -2.9407 -2.3587 -2.3587 -2.1292 -2.1292 -1.4030 -1.4030 -0.9874 -0.9874 -0.1688 -0.1688 0.1989 0.1989 0.4362 0.4362 3.7257 3.7257 6.0896 6.0896 9.4687 9.4687 9.6807 9.6807 11.5400 11.5400 k = 0.1494 0.1599-0.0000 ( 2189 PWs) bands (ev): -18.0495 -18.0495 -16.7276 -16.7276 -7.1976 -7.1976 -3.1537 -3.1537 -2.9410 -2.9410 -2.3705 -2.3705 -2.1362 -2.1362 -1.3970 -1.3970 -0.9822 -0.9822 -0.1588 -0.1588 0.2023 0.2023 0.4431 0.4431 3.7128 3.7128 6.0898 6.0898 9.4463 9.4463 9.6922 9.6922 11.5009 11.5009 k = 0.1594 0.1706-0.0000 ( 2189 PWs) bands (ev): -18.0491 -18.0491 -16.7277 -16.7277 -7.1976 -7.1976 -3.1538 -3.1538 -2.9412 -2.9412 -2.3821 -2.3821 -2.1432 -2.1432 -1.3914 -1.3914 -0.9774 -0.9774 -0.1487 -0.1487 0.2056 0.2056 0.4506 0.4506 3.6997 3.6997 6.0899 6.0899 9.4233 9.4233 9.7022 9.7022 11.4633 11.4633 k = 0.1693 0.1813-0.0000 ( 2189 PWs) bands (ev): -18.0487 -18.0487 -16.7279 -16.7279 -7.1975 -7.1975 -3.1540 -3.1540 -2.9414 -2.9414 -2.3931 -2.3931 -2.1504 -2.1504 -1.3862 -1.3862 -0.9730 -0.9730 -0.1385 -0.1385 0.2089 0.2089 0.4586 0.4586 3.6867 3.6867 6.0900 6.0900 9.3999 9.3999 9.7102 9.7102 11.4280 11.4280 k = 0.1793 0.1919-0.0000 ( 2193 PWs) bands (ev): -18.0484 -18.0484 -16.7281 -16.7281 -7.1975 -7.1975 -3.1541 -3.1541 -2.9416 -2.9416 -2.4037 -2.4037 -2.1576 -2.1576 -1.3814 -1.3814 -0.9692 -0.9692 -0.1282 -0.1282 0.2121 0.2121 0.4671 0.4671 3.6739 3.6739 6.0902 6.0902 9.3762 9.3762 9.7157 9.7157 11.3960 11.3960 k = 0.1892 0.2026-0.0000 ( 2185 PWs) bands (ev): -18.0480 -18.0480 -16.7282 -16.7282 -7.1975 -7.1975 -3.1542 -3.1542 -2.9418 -2.9418 -2.4136 -2.4136 -2.1649 -2.1649 -1.3771 -1.3771 -0.9657 -0.9657 -0.1179 -0.1179 0.2151 0.2151 0.4759 0.4759 3.6614 3.6614 6.0904 6.0904 9.3523 9.3523 9.7182 9.7182 11.3681 11.3681 k = 0.1992 0.2133-0.0000 ( 2191 PWs) bands (ev): -18.0476 -18.0476 -16.7284 -16.7284 -7.1975 -7.1975 -3.1544 -3.1544 -2.9420 -2.9420 -2.4228 -2.4228 -2.1722 -2.1722 -1.3733 -1.3733 -0.9630 -0.9630 -0.1075 -0.1075 0.2180 0.2180 0.4849 0.4849 3.6494 3.6494 6.0905 6.0905 9.3283 9.3283 9.7172 9.7172 11.3450 11.3450 k = 0.2091 0.2239-0.0000 ( 2191 PWs) bands (ev): -18.0472 -18.0472 -16.7285 -16.7285 -7.1975 -7.1975 -3.1545 -3.1545 -2.9422 -2.9422 -2.4313 -2.4313 -2.1794 -2.1794 -1.3701 -1.3701 -0.9607 -0.9607 -0.0970 -0.0970 0.2207 0.2207 0.4940 0.4940 3.6379 3.6379 6.0907 6.0907 9.3043 9.3043 9.7122 9.7122 11.3276 11.3276 k = 0.2191 0.2346-0.0000 ( 2191 PWs) bands (ev): -18.0468 -18.0468 -16.7285 -16.7285 -7.1975 -7.1975 -3.1546 -3.1546 -2.9424 -2.9424 -2.4390 -2.4390 -2.1866 -2.1866 -1.3675 -1.3675 -0.9591 -0.9591 -0.0866 -0.0866 0.2233 0.2233 0.5029 0.5029 3.6272 3.6272 6.0909 6.0909 9.2805 9.2805 9.7031 9.7031 11.3163 11.3163 k = 0.2291 0.2453-0.0000 ( 2183 PWs) bands (ev): -18.0465 -18.0465 -16.7285 -16.7285 -7.1974 -7.1974 -3.1547 -3.1547 -2.9425 -2.9425 -2.4458 -2.4458 -2.1936 -2.1936 -1.3653 -1.3653 -0.9579 -0.9579 -0.0761 -0.0761 0.2258 0.2258 0.5117 0.5117 3.6173 3.6173 6.0911 6.0911 9.2569 9.2569 9.6897 9.6897 11.3115 11.3115 k = 0.2390 0.2559-0.0000 ( 2183 PWs) bands (ev): -18.0461 -18.0461 -16.7286 -16.7286 -7.1974 -7.1974 -3.1548 -3.1548 -2.9426 -2.9426 -2.4519 -2.4519 -2.2006 -2.2006 -1.3639 -1.3639 -0.9574 -0.9574 -0.0655 -0.0655 0.2281 0.2281 0.5199 0.5199 3.6083 3.6083 6.0913 6.0913 9.2336 9.2336 9.6719 9.6719 11.3135 11.3135 k = 0.2490 0.2666-0.0000 ( 2175 PWs) bands (ev): -18.0458 -18.0458 -16.7287 -16.7287 -7.1974 -7.1974 -3.1547 -3.1547 -2.9426 -2.9426 -2.4570 -2.4570 -2.2074 -2.2074 -1.3630 -1.3630 -0.9574 -0.9574 -0.0548 -0.0548 0.2304 0.2304 0.5275 0.5275 3.6003 3.6003 6.0915 6.0915 9.2107 9.2107 9.6500 9.6500 11.3223 11.3223 k = 0.2589 0.2772-0.0000 ( 2179 PWs) bands (ev): -18.0455 -18.0455 -16.7287 -16.7287 -7.1974 -7.1974 -3.1549 -3.1549 -2.9428 -2.9428 -2.4613 -2.4613 -2.2141 -2.2141 -1.3628 -1.3628 -0.9579 -0.9579 -0.0441 -0.0441 0.2326 0.2326 0.5344 0.5344 3.5934 3.5934 6.0917 6.0917 9.1883 9.1883 9.6243 9.6243 11.3378 11.3378 k = 0.2689 0.2879-0.0000 ( 2179 PWs) bands (ev): -18.0452 -18.0452 -16.7288 -16.7288 -7.1973 -7.1973 -3.1549 -3.1549 -2.9428 -2.9428 -2.4648 -2.4648 -2.2206 -2.2206 -1.3632 -1.3632 -0.9589 -0.9589 -0.0333 -0.0333 0.2347 0.2347 0.5403 0.5403 3.5877 3.5877 6.0919 6.0919 9.1664 9.1664 9.5951 9.5951 11.3596 11.3596 k = 0.2789 0.2986-0.0000 ( 2175 PWs) bands (ev): -18.0449 -18.0449 -16.7287 -16.7287 -7.1973 -7.1973 -3.1549 -3.1549 -2.9429 -2.9429 -2.4674 -2.4674 -2.2269 -2.2269 -1.3642 -1.3642 -0.9604 -0.9604 -0.0223 -0.0223 0.2368 0.2368 0.5452 0.5452 3.5831 3.5831 6.0921 6.0921 9.1451 9.1451 9.5631 9.5631 11.3874 11.3874 k = 0.2888 0.3092-0.0000 ( 2179 PWs) bands (ev): -18.0446 -18.0446 -16.7288 -16.7288 -7.1973 -7.1973 -3.1549 -3.1549 -2.9429 -2.9429 -2.4692 -2.4692 -2.2330 -2.2330 -1.3659 -1.3659 -0.9623 -0.9623 -0.0113 -0.0113 0.2389 0.2389 0.5489 0.5489 3.5796 3.5796 6.0923 6.0923 9.1244 9.1244 9.5287 9.5287 11.4208 11.4208 k = 0.2988 0.3199-0.0000 ( 2177 PWs) bands (ev): -18.0444 -18.0444 -16.7287 -16.7287 -7.1972 -7.1972 -3.1549 -3.1549 -2.9429 -2.9429 -2.4702 -2.4702 -2.2388 -2.2388 -1.3680 -1.3680 -0.9645 -0.9645 -0.0001 -0.0001 0.2411 0.2411 0.5515 0.5515 3.5774 3.5774 6.0925 6.0925 9.1045 9.1045 9.4926 9.4926 11.4592 11.4592 k = 0.3087 0.3306-0.0000 ( 2185 PWs) bands (ev): -18.0441 -18.0441 -16.7287 -16.7287 -7.1972 -7.1972 -3.1550 -3.1550 -2.9430 -2.9430 -2.4704 -2.4704 -2.2445 -2.2445 -1.3709 -1.3709 -0.9672 -0.9672 0.0112 0.0112 0.2433 0.2433 0.5527 0.5527 3.5763 3.5763 6.0927 6.0927 9.0852 9.0852 9.4552 9.4552 11.5022 11.5022 k = 0.3187 0.3412-0.0000 ( 2185 PWs) bands (ev): -18.0439 -18.0439 -16.7286 -16.7286 -7.1971 -7.1971 -3.1550 -3.1550 -2.9429 -2.9429 -2.4699 -2.4699 -2.2499 -2.2499 -1.3742 -1.3742 -0.9700 -0.9700 0.0226 0.0226 0.2457 0.2457 0.5526 0.5526 3.5763 3.5763 6.0929 6.0929 9.0668 9.0668 9.4171 9.4171 11.5493 11.5493 k = 0.3287 0.3519-0.0000 ( 2185 PWs) bands (ev): -18.0437 -18.0437 -16.7286 -16.7286 -7.1971 -7.1971 -3.1550 -3.1550 -2.9428 -2.9428 -2.4687 -2.4687 -2.2550 -2.2550 -1.3779 -1.3779 -0.9730 -0.9730 0.0341 0.0341 0.2481 0.2481 0.5511 0.5511 3.5773 3.5773 6.0931 6.0931 9.0492 9.0492 9.3787 9.3787 11.5999 11.5999 k = 0.3386 0.3625-0.0000 ( 2185 PWs) bands (ev): -18.0435 -18.0435 -16.7285 -16.7285 -7.1970 -7.1970 -3.1549 -3.1549 -2.9427 -2.9427 -2.4670 -2.4670 -2.2599 -2.2599 -1.3822 -1.3822 -0.9763 -0.9763 0.0457 0.0457 0.2508 0.2508 0.5483 0.5483 3.5793 3.5793 6.0933 6.0933 9.0324 9.0324 9.3406 9.3406 11.6537 11.6537 k = 0.3486 0.3732-0.0000 ( 2185 PWs) bands (ev): -18.0434 -18.0434 -16.7284 -16.7284 -7.1970 -7.1970 -3.1549 -3.1549 -2.9426 -2.9426 -2.4646 -2.4646 -2.2645 -2.2645 -1.3868 -1.3868 -0.9796 -0.9796 0.0572 0.0572 0.2537 0.2537 0.5442 0.5442 3.5821 3.5821 6.0935 6.0935 9.0165 9.0165 9.3031 9.3031 11.7100 11.7100 k = 0.3585 0.3839-0.0000 ( 2185 PWs) bands (ev): -18.0432 -18.0432 -16.7283 -16.7283 -7.1969 -7.1969 -3.1548 -3.1548 -2.9425 -2.9425 -2.4618 -2.4618 -2.2688 -2.2688 -1.3917 -1.3917 -0.9830 -0.9830 0.0686 0.0686 0.2569 0.2569 0.5388 0.5388 3.5856 3.5856 6.0937 6.0937 9.0015 9.0015 9.2666 9.2666 11.7685 11.7685 k = 0.3685 0.3945-0.0000 ( 2193 PWs) bands (ev): -18.0431 -18.0431 -16.7282 -16.7282 -7.1969 -7.1969 -3.1548 -3.1548 -2.9425 -2.9425 -2.4587 -2.4587 -2.2728 -2.2728 -1.3969 -1.3969 -0.9864 -0.9864 0.0800 0.0800 0.2604 0.2604 0.5322 0.5322 3.5897 3.5897 6.0939 6.0939 8.9875 8.9875 9.2314 9.2314 11.8287 11.8287 k = 0.3785 0.4052-0.0000 ( 2197 PWs) bands (ev): -18.0430 -18.0430 -16.7281 -16.7281 -7.1969 -7.1969 -3.1548 -3.1548 -2.9424 -2.9424 -2.4551 -2.4551 -2.2766 -2.2766 -1.4023 -1.4023 -0.9898 -0.9898 0.0910 0.0910 0.2644 0.2644 0.5244 0.5244 3.5943 3.5943 6.0941 6.0941 8.9744 8.9744 9.1977 9.1977 11.8898 11.8898 k = 0.3884 0.4159-0.0000 ( 2201 PWs) bands (ev): -18.0429 -18.0429 -16.7280 -16.7280 -7.1968 -7.1968 -3.1547 -3.1547 -2.9422 -2.9422 -2.4514 -2.4514 -2.2800 -2.2800 -1.4078 -1.4078 -0.9931 -0.9931 0.1018 0.1018 0.2688 0.2688 0.5156 0.5156 3.5992 3.5992 6.0942 6.0942 8.9622 8.9622 9.1659 9.1659 11.9511 11.9511 k = 0.3984 0.4265-0.0000 ( 2197 PWs) bands (ev): -18.0428 -18.0428 -16.7279 -16.7279 -7.1968 -7.1968 -3.1546 -3.1546 -2.9421 -2.9421 -2.4475 -2.4475 -2.2832 -2.2832 -1.4132 -1.4132 -0.9962 -0.9962 0.1120 0.1120 0.2740 0.2740 0.5058 0.5058 3.6043 3.6043 6.0944 6.0944 8.9511 8.9511 9.1362 9.1362 11.9879 11.9879 k = 0.4083 0.4372-0.0000 ( 2195 PWs) bands (ev): -18.0427 -18.0427 -16.7278 -16.7278 -7.1967 -7.1967 -3.1546 -3.1546 -2.9420 -2.9420 -2.4436 -2.4436 -2.2861 -2.2861 -1.4186 -1.4186 -0.9991 -0.9991 0.1217 0.1217 0.2798 0.2798 0.4951 0.4951 3.6095 3.6095 6.0945 6.0945 8.9409 8.9409 9.1087 9.1087 11.9982 11.9982 k = 0.4183 0.4478-0.0000 ( 2193 PWs) bands (ev): -18.0427 -18.0427 -16.7277 -16.7277 -7.1967 -7.1967 -3.1545 -3.1545 -2.9419 -2.9419 -2.4397 -2.4397 -2.2887 -2.2887 -1.4237 -1.4237 -1.0018 -1.0018 0.1306 0.1306 0.2864 0.2864 0.4836 0.4836 3.6145 3.6145 6.0947 6.0947 8.9318 8.9318 9.0836 9.0836 12.0070 12.0070 k = 0.4283 0.4585-0.0000 ( 2183 PWs) bands (ev): -18.0426 -18.0426 -16.7275 -16.7275 -7.1967 -7.1967 -3.1544 -3.1544 -2.9417 -2.9417 -2.4360 -2.4360 -2.2910 -2.2910 -1.4285 -1.4285 -1.0043 -1.0043 0.1387 0.1387 0.2939 0.2939 0.4715 0.4715 3.6193 3.6193 6.0948 6.0948 8.9237 8.9237 9.0610 9.0610 12.0150 12.0150 k = 0.4382 0.4692-0.0000 ( 2182 PWs) bands (ev): -18.0426 -18.0426 -16.7274 -16.7274 -7.1966 -7.1966 -3.1543 -3.1543 -2.9416 -2.9416 -2.4326 -2.4326 -2.2930 -2.2930 -1.4330 -1.4330 -1.0065 -1.0065 0.1459 0.1459 0.3024 0.3024 0.4589 0.4589 3.6238 3.6238 6.0949 6.0949 8.9167 8.9167 9.0411 9.0411 12.0219 12.0219 k = 0.4482 0.4798-0.0000 ( 2182 PWs) bands (ev): -18.0425 -18.0425 -16.7273 -16.7273 -7.1966 -7.1966 -3.1543 -3.1543 -2.9415 -2.9415 -2.4295 -2.4295 -2.2946 -2.2946 -1.4370 -1.4370 -1.0084 -1.0084 0.1519 0.1519 0.3117 0.3117 0.4458 0.4458 3.6278 3.6278 6.0950 6.0950 8.9106 8.9106 9.0240 9.0240 12.0279 12.0279 k = 0.4581 0.4905-0.0000 ( 2192 PWs) bands (ev): -18.0425 -18.0425 -16.7273 -16.7273 -7.1966 -7.1966 -3.1544 -3.1544 -2.9415 -2.9415 -2.4268 -2.4268 -2.2961 -2.2961 -1.4405 -1.4405 -1.0102 -1.0102 0.1569 0.1569 0.3219 0.3219 0.4324 0.4324 3.6313 3.6313 6.0951 6.0951 8.9056 8.9056 9.0098 9.0098 12.0328 12.0328 k = 0.4681 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0425 -18.0425 -16.7272 -16.7272 -7.1966 -7.1966 -3.1542 -3.1542 -2.9414 -2.9414 -2.4245 -2.4245 -2.2972 -2.2972 -1.4432 -1.4432 -1.0114 -1.0114 0.1609 0.1609 0.3329 0.3329 0.4190 0.4190 3.6341 3.6341 6.0952 6.0952 8.9017 8.9017 8.9986 8.9986 12.0368 12.0368 k = 0.4681 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0425 -18.0425 -16.7272 -16.7272 -7.1966 -7.1966 -3.1542 -3.1542 -2.9414 -2.9414 -2.4245 -2.4245 -2.2972 -2.2972 -1.4432 -1.4432 -1.0114 -1.0114 0.1609 0.1609 0.3329 0.3329 0.4190 0.4190 3.6341 3.6341 6.0952 6.0952 8.9017 8.9017 8.9986 8.9986 12.0368 12.0368 k = 0.4535 0.5012-0.0000 ( 2189 PWs) bands (ev): -18.0425 -18.0425 -16.7272 -16.7272 -7.1966 -7.1966 -3.1543 -3.1543 -2.9415 -2.9415 -2.4259 -2.4259 -2.2965 -2.2965 -1.4413 -1.4413 -1.0105 -1.0105 0.1580 0.1580 0.3253 0.3253 0.4283 0.4283 3.6322 3.6322 6.0951 6.0951 8.9050 8.9050 9.0062 9.0062 12.0310 12.0310 k = 0.4388 0.5012-0.0000 ( 2185 PWs) bands (ev): -18.0425 -18.0425 -16.7273 -16.7273 -7.1966 -7.1966 -3.1543 -3.1543 -2.9415 -2.9415 -2.4274 -2.4274 -2.2957 -2.2957 -1.4387 -1.4387 -1.0094 -1.0094 0.1539 0.1539 0.3178 0.3178 0.4381 0.4381 3.6298 3.6298 6.0951 6.0951 8.9105 8.9105 9.0157 9.0157 12.0171 12.0171 k = 0.4242 0.5012-0.0000 ( 2186 PWs) bands (ev): -18.0426 -18.0426 -16.7273 -16.7273 -7.1966 -7.1966 -3.1543 -3.1543 -2.9415 -2.9415 -2.4290 -2.4290 -2.2948 -2.2948 -1.4357 -1.4357 -1.0080 -1.0080 0.1488 0.1488 0.3105 0.3105 0.4482 0.4482 3.6271 3.6271 6.0950 6.0950 8.9179 8.9179 9.0271 9.0271 11.9930 11.9930 k = 0.4096 0.5012-0.0000 ( 2187 PWs) bands (ev): -18.0426 -18.0426 -16.7274 -16.7274 -7.1967 -7.1967 -3.1544 -3.1544 -2.9416 -2.9416 -2.4308 -2.4308 -2.2938 -2.2938 -1.4321 -1.4321 -1.0063 -1.0063 0.1427 0.1427 0.3031 0.3031 0.4586 0.4586 3.6239 3.6239 6.0949 6.0949 8.9274 8.9274 9.0403 9.0403 11.9574 11.9574 k = 0.3950 0.5012-0.0000 ( 2183 PWs) bands (ev): -18.0427 -18.0427 -16.7275 -16.7275 -7.1967 -7.1967 -3.1544 -3.1544 -2.9416 -2.9416 -2.4327 -2.4327 -2.2927 -2.2927 -1.4279 -1.4279 -1.0043 -1.0043 0.1358 0.1358 0.2956 0.2956 0.4693 0.4693 3.6203 3.6203 6.0948 6.0948 8.9389 8.9389 9.0553 9.0553 11.9106 11.9106 k = 0.3803 0.5012-0.0000 ( 2180 PWs) bands (ev): -18.0428 -18.0428 -16.7275 -16.7275 -7.1967 -7.1967 -3.1544 -3.1544 -2.9417 -2.9417 -2.4348 -2.4348 -2.2914 -2.2914 -1.4233 -1.4233 -1.0020 -1.0020 0.1281 0.1281 0.2880 0.2880 0.4804 0.4804 3.6165 3.6165 6.0947 6.0947 8.9522 8.9522 9.0720 9.0720 11.8544 11.8544 k = 0.3657 0.5012-0.0000 ( 2178 PWs) bands (ev): -18.0429 -18.0429 -16.7276 -16.7276 -7.1967 -7.1967 -3.1544 -3.1544 -2.9418 -2.9418 -2.4371 -2.4371 -2.2899 -2.2899 -1.4183 -1.4183 -0.9994 -0.9994 0.1197 0.1197 0.2802 0.2802 0.4916 0.4916 3.6123 3.6123 6.0946 6.0946 8.9674 8.9674 9.0904 9.0904 11.7907 11.7907 k = 0.3511 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0430 -18.0430 -16.7277 -16.7277 -7.1968 -7.1968 -3.1545 -3.1545 -2.9419 -2.9419 -2.4397 -2.4397 -2.2882 -2.2882 -1.4129 -1.4129 -0.9965 -0.9965 0.1107 0.1107 0.2721 0.2721 0.5031 0.5031 3.6078 3.6078 6.0944 6.0944 8.9843 8.9843 9.1104 9.1104 11.7215 11.7215 k = 0.3364 0.5012-0.0000 ( 2184 PWs) bands (ev): -18.0431 -18.0431 -16.7277 -16.7277 -7.1968 -7.1968 -3.1546 -3.1546 -2.9421 -2.9421 -2.4424 -2.4424 -2.2863 -2.2863 -1.4071 -1.4071 -0.9932 -0.9932 0.1011 0.1011 0.2639 0.2639 0.5147 0.5147 3.6030 3.6030 6.0943 6.0943 9.0031 9.0031 9.1318 9.1318 11.6484 11.6484 k = 0.3218 0.5012-0.0000 ( 2188 PWs) bands (ev): -18.0432 -18.0432 -16.7278 -16.7278 -7.1968 -7.1968 -3.1548 -3.1548 -2.9422 -2.9422 -2.4453 -2.4453 -2.2843 -2.2843 -1.4010 -1.4010 -0.9895 -0.9895 0.0909 0.0909 0.2555 0.2555 0.5263 0.5263 3.5981 3.5981 6.0941 6.0941 9.0235 9.0235 9.1546 9.1546 11.5725 11.5725 k = 0.3072 0.5012-0.0000 ( 2187 PWs) bands (ev): -18.0433 -18.0433 -16.7279 -16.7279 -7.1969 -7.1969 -3.1548 -3.1548 -2.9423 -2.9423 -2.4484 -2.4484 -2.2820 -2.2820 -1.3946 -1.3946 -0.9854 -0.9854 0.0802 0.0802 0.2471 0.2471 0.5379 0.5379 3.5930 3.5930 6.0939 6.0939 9.0455 9.0455 9.1786 9.1786 11.4947 11.4947 k = 0.2926 0.5012-0.0000 ( 2191 PWs) bands (ev): -18.0434 -18.0434 -16.7281 -16.7281 -7.1969 -7.1969 -3.1549 -3.1549 -2.9425 -2.9425 -2.4517 -2.4517 -2.2796 -2.2796 -1.3881 -1.3881 -0.9809 -0.9809 0.0689 0.0689 0.2386 0.2386 0.5495 0.5495 3.5878 3.5878 6.0937 6.0937 9.0691 9.0691 9.2038 9.2038 11.4158 11.4158 k = 0.2779 0.5012-0.0000 ( 2191 PWs) bands (ev): -18.0435 -18.0435 -16.7282 -16.7282 -7.1970 -7.1970 -3.1549 -3.1549 -2.9425 -2.9425 -2.4551 -2.4551 -2.2770 -2.2770 -1.3814 -1.3814 -0.9759 -0.9759 0.0571 0.0571 0.2303 0.2303 0.5609 0.5609 3.5825 3.5825 6.0936 6.0936 9.0942 9.0942 9.2299 9.2299 11.3364 11.3364 k = 0.2633 0.5012-0.0000 ( 2189 PWs) bands (ev): -18.0437 -18.0437 -16.7283 -16.7283 -7.1970 -7.1970 -3.1550 -3.1550 -2.9426 -2.9426 -2.4587 -2.4587 -2.2743 -2.2743 -1.3746 -1.3746 -0.9704 -0.9704 0.0447 0.0447 0.2221 0.2221 0.5722 0.5722 3.5771 3.5771 6.0934 6.0934 9.1208 9.1208 9.2567 9.2567 11.2567 11.2567 k = 0.2487 0.5012-0.0000 ( 2185 PWs) bands (ev): -18.0438 -18.0438 -16.7284 -16.7284 -7.1970 -7.1970 -3.1550 -3.1550 -2.9426 -2.9426 -2.4623 -2.4623 -2.2715 -2.2715 -1.3677 -1.3677 -0.9643 -0.9643 0.0318 0.0318 0.2143 0.2143 0.5832 0.5832 3.5718 3.5718 6.0932 6.0932 9.1488 9.1488 9.2842 9.2842 11.1773 11.1773 k = 0.2340 0.5012-0.0000 ( 2184 PWs) bands (ev): -18.0439 -18.0439 -16.7285 -16.7285 -7.1971 -7.1971 -3.1550 -3.1550 -2.9427 -2.9427 -2.4660 -2.4660 -2.2687 -2.2687 -1.3609 -1.3609 -0.9579 -0.9579 0.0183 0.0183 0.2067 0.2067 0.5939 0.5939 3.5665 3.5665 6.0930 6.0930 9.1781 9.1781 9.3121 9.3121 11.0985 11.0985 k = 0.2194 0.5012-0.0000 ( 2183 PWs) bands (ev): -18.0440 -18.0440 -16.7285 -16.7285 -7.1971 -7.1971 -3.1551 -3.1551 -2.9428 -2.9428 -2.4696 -2.4696 -2.2658 -2.2658 -1.3543 -1.3543 -0.9509 -0.9509 0.0044 0.0044 0.1995 0.1995 0.6043 0.6043 3.5612 3.5612 6.0929 6.0929 9.2085 9.2085 9.3403 9.3403 11.0204 11.0204 k = 0.2048 0.5012-0.0000 ( 2181 PWs) bands (ev): -18.0442 -18.0442 -16.7286 -16.7286 -7.1972 -7.1972 -3.1552 -3.1552 -2.9428 -2.9428 -2.4733 -2.4733 -2.2630 -2.2630 -1.3478 -1.3478 -0.9435 -0.9435 -0.0098 -0.0098 0.1928 0.1928 0.6142 0.6142 3.5561 3.5561 6.0927 6.0927 9.2401 9.2401 9.3686 9.3686 10.9433 10.9433 k = 0.1902 0.5012-0.0000 ( 2178 PWs) bands (ev): -18.0443 -18.0443 -16.7287 -16.7287 -7.1972 -7.1972 -3.1552 -3.1552 -2.9429 -2.9429 -2.4769 -2.4769 -2.2602 -2.2602 -1.3415 -1.3415 -0.9357 -0.9357 -0.0244 -0.0244 0.1866 0.1866 0.6237 0.6237 3.5512 3.5512 6.0925 6.0925 9.2725 9.2725 9.3969 9.3969 10.8675 10.8675 k = 0.1755 0.5012-0.0000 ( 2180 PWs) bands (ev): -18.0444 -18.0444 -16.7288 -16.7288 -7.1972 -7.1972 -3.1553 -3.1553 -2.9430 -2.9430 -2.4804 -2.4804 -2.2574 -2.2574 -1.3356 -1.3356 -0.9276 -0.9276 -0.0391 -0.0391 0.1809 0.1809 0.6327 0.6327 3.5465 3.5465 6.0924 6.0924 9.3055 9.3055 9.4251 9.4251 10.7930 10.7930 k = 0.1609 0.5012-0.0000 ( 2180 PWs) bands (ev): -18.0445 -18.0445 -16.7289 -16.7289 -7.1973 -7.1973 -3.1554 -3.1554 -2.9431 -2.9431 -2.4838 -2.4838 -2.2548 -2.2548 -1.3300 -1.3300 -0.9192 -0.9192 -0.0538 -0.0538 0.1757 0.1757 0.6411 0.6411 3.5420 3.5420 6.0922 6.0922 9.3389 9.3389 9.4533 9.4533 10.7202 10.7202 k = 0.1463 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0446 -18.0446 -16.7290 -16.7290 -7.1973 -7.1973 -3.1555 -3.1555 -2.9432 -2.9432 -2.4870 -2.4870 -2.2523 -2.2523 -1.3249 -1.3249 -0.9107 -0.9107 -0.0683 -0.0683 0.1709 0.1709 0.6490 0.6490 3.5378 3.5378 6.0921 6.0921 9.3720 9.3720 9.4816 9.4816 10.6492 10.6492 k = 0.1317 0.5012-0.0000 ( 2184 PWs) bands (ev): -18.0447 -18.0447 -16.7290 -16.7290 -7.1973 -7.1973 -3.1556 -3.1556 -2.9433 -2.9433 -2.4899 -2.4899 -2.2499 -2.2499 -1.3201 -1.3201 -0.9022 -0.9022 -0.0824 -0.0824 0.1667 0.1667 0.6562 0.6562 3.5338 3.5338 6.0919 6.0919 9.4042 9.4042 9.5103 9.5103 10.5801 10.5801 k = 0.1170 0.5012-0.0000 ( 2184 PWs) bands (ev): -18.0448 -18.0448 -16.7291 -16.7291 -7.1974 -7.1974 -3.1556 -3.1556 -2.9434 -2.9434 -2.4927 -2.4927 -2.2478 -2.2478 -1.3158 -1.3158 -0.8938 -0.8938 -0.0959 -0.0959 0.1630 0.1630 0.6627 0.6627 3.5303 3.5303 6.0918 6.0918 9.4347 9.4347 9.5399 9.5399 10.5134 10.5134 k = 0.1024 0.5012-0.0000 ( 2185 PWs) bands (ev): -18.0449 -18.0449 -16.7291 -16.7291 -7.1974 -7.1974 -3.1557 -3.1557 -2.9434 -2.9434 -2.4952 -2.4952 -2.2458 -2.2458 -1.3120 -1.3120 -0.8858 -0.8858 -0.1086 -0.1086 0.1598 0.1598 0.6685 0.6685 3.5270 3.5270 6.0917 6.0917 9.4624 9.4624 9.5707 9.5707 10.4493 10.4493 k = 0.0878 0.5012-0.0000 ( 2187 PWs) bands (ev): -18.0450 -18.0450 -16.7292 -16.7292 -7.1974 -7.1974 -3.1558 -3.1558 -2.9435 -2.9435 -2.4974 -2.4974 -2.2441 -2.2441 -1.3087 -1.3087 -0.8782 -0.8782 -0.1203 -0.1203 0.1570 0.1570 0.6737 0.6737 3.5242 3.5242 6.0916 6.0916 9.4866 9.4866 9.6031 9.6031 10.3884 10.3884 k = 0.0731 0.5012-0.0000 ( 2191 PWs) bands (ev): -18.0450 -18.0450 -16.7292 -16.7292 -7.1974 -7.1974 -3.1559 -3.1559 -2.9436 -2.9436 -2.4993 -2.4993 -2.2426 -2.2426 -1.3059 -1.3059 -0.8714 -0.8714 -0.1307 -0.1307 0.1546 0.1546 0.6780 0.6780 3.5217 3.5217 6.0915 6.0915 9.5069 9.5069 9.6364 9.6364 10.3312 10.3312 k = 0.0585 0.5012-0.0000 ( 2190 PWs) bands (ev): -18.0451 -18.0451 -16.7293 -16.7293 -7.1974 -7.1974 -3.1559 -3.1559 -2.9436 -2.9436 -2.5009 -2.5009 -2.2414 -2.2414 -1.3035 -1.3035 -0.8655 -0.8655 -0.1396 -0.1396 0.1528 0.1528 0.6816 0.6816 3.5197 3.5197 6.0914 6.0914 9.5233 9.5233 9.6696 9.6696 10.2790 10.2790 k = 0.0439 0.5012-0.0000 ( 2190 PWs) bands (ev): -18.0451 -18.0451 -16.7293 -16.7293 -7.1975 -7.1975 -3.1559 -3.1559 -2.9436 -2.9436 -2.5021 -2.5021 -2.2404 -2.2404 -1.3017 -1.3017 -0.8606 -0.8606 -0.1467 -0.1467 0.1513 0.1513 0.6845 0.6845 3.5181 3.5181 6.0914 6.0914 9.5358 9.5358 9.7009 9.7009 10.2332 10.2332 k = 0.0293 0.5012-0.0000 ( 2192 PWs) bands (ev): -18.0452 -18.0452 -16.7293 -16.7293 -7.1975 -7.1975 -3.1560 -3.1560 -2.9437 -2.9437 -2.5030 -2.5030 -2.2397 -2.2397 -1.3004 -1.3004 -0.8571 -0.8571 -0.1519 -0.1519 0.1503 0.1503 0.6865 0.6865 3.5170 3.5170 6.0913 6.0913 9.5446 9.5446 9.7274 9.7274 10.1965 10.1965 k = 0.0146 0.5012-0.0000 ( 2196 PWs) bands (ev): -18.0452 -18.0452 -16.7294 -16.7294 -7.1975 -7.1975 -3.1560 -3.1560 -2.9437 -2.9437 -2.5036 -2.5036 -2.2393 -2.2393 -1.2997 -1.2997 -0.8549 -0.8549 -0.1552 -0.1552 0.1497 0.1497 0.6877 0.6877 3.5163 3.5163 6.0913 6.0913 9.5499 9.5499 9.7457 9.7457 10.1722 10.1722 k = 0.0000 0.5012-0.0000 ( 2196 PWs) bands (ev): -18.0452 -18.0452 -16.7294 -16.7294 -7.1975 -7.1975 -3.1560 -3.1560 -2.9437 -2.9437 -2.5038 -2.5038 -2.2391 -2.2391 -1.2994 -1.2994 -0.8542 -0.8542 -0.1562 -0.1562 0.1495 0.1495 0.6881 0.6881 3.5160 3.5160 6.0913 6.0913 9.5516 9.5516 9.7524 9.7524 10.1635 10.1635 k = 0.0000 0.5012-0.0000 ( 2196 PWs) bands (ev): -18.0452 -18.0452 -16.7294 -16.7294 -7.1975 -7.1975 -3.1560 -3.1560 -2.9437 -2.9437 -2.5038 -2.5038 -2.2391 -2.2391 -1.2994 -1.2994 -0.8542 -0.8542 -0.1562 -0.1562 0.1495 0.1495 0.6881 0.6881 3.5160 3.5160 6.0913 6.0913 9.5516 9.5516 9.7524 9.7524 10.1635 10.1635 k = 0.0000 0.5012 0.0147 ( 2196 PWs) bands (ev): -18.0447 -18.0447 -16.7274 -16.7274 -7.2000 -7.2000 -3.1675 -3.1675 -2.9552 -2.9552 -2.5032 -2.5032 -2.2383 -2.2383 -1.2997 -1.2997 -0.8540 -0.8540 -0.1423 -0.1423 0.1637 0.1637 0.6839 0.6839 3.5205 3.5205 6.0874 6.0874 9.5501 9.5501 9.7490 9.7490 10.1652 10.1652 k = 0.0000 0.5012 0.0294 ( 2196 PWs) bands (ev): -18.0434 -18.0434 -16.7217 -16.7217 -7.2075 -7.2075 -3.2015 -3.2015 -2.9893 -2.9893 -2.5013 -2.5013 -2.2359 -2.2359 -1.3003 -1.3003 -0.8533 -0.8533 -0.1013 -0.1013 0.2059 0.2059 0.6713 0.6713 3.5339 3.5339 6.0759 6.0759 9.5453 9.5453 9.7388 9.7388 10.1701 10.1701 k = 0.0000 0.5012 0.0440 ( 2196 PWs) bands (ev): -18.0412 -18.0412 -16.7122 -16.7122 -7.2200 -7.2200 -3.2562 -3.2562 -3.0442 -3.0442 -2.4981 -2.4981 -2.2318 -2.2318 -1.3012 -1.3012 -0.8523 -0.8523 -0.0352 -0.0352 0.2740 0.2740 0.6502 0.6502 3.5562 3.5562 6.0570 6.0570 9.5372 9.5372 9.7220 9.7220 10.1783 10.1783 k = 0.0000 0.5012 0.0587 ( 2196 PWs) bands (ev): -18.0380 -18.0380 -16.6987 -16.6987 -7.2374 -7.2374 -3.3293 -3.3293 -3.1178 -3.1178 -2.4934 -2.4934 -2.2259 -2.2259 -1.3019 -1.3019 -0.8509 -0.8509 0.0535 0.0535 0.3653 0.3653 0.6208 0.6208 3.5872 3.5872 6.0311 6.0311 9.5255 9.5255 9.6986 9.6986 10.1898 10.1898 k = 0.0000 0.5012 0.0734 ( 2196 PWs) bands (ev): -18.0340 -18.0340 -16.6815 -16.6815 -7.2597 -7.2597 -3.4179 -3.4179 -3.2072 -3.2072 -2.4871 -2.4871 -2.2179 -2.2179 -1.3022 -1.3022 -0.8490 -0.8490 0.1616 0.1616 0.4768 0.4768 0.5831 0.5831 3.6270 3.6270 5.9989 5.9989 9.5099 9.5099 9.6687 9.6687 10.2046 10.2046 k = 0.0000 0.5012 0.0881 ( 2192 PWs) bands (ev): -18.0292 -18.0292 -16.6604 -16.6604 -7.2865 -7.2865 -3.5193 -3.5193 -3.3097 -3.3097 -2.4792 -2.4792 -2.2081 -2.2081 -1.3019 -1.3019 -0.8467 -0.8467 0.2861 0.2861 0.5365 0.5365 0.6061 0.6061 3.6754 3.6754 5.9610 5.9610 9.4898 9.4898 9.6326 9.6326 10.2226 10.2226 k = 0.0000 0.5012 0.1028 ( 2192 PWs) bands (ev): -18.0234 -18.0234 -16.6355 -16.6355 -7.3179 -7.3179 -3.6308 -3.6308 -3.4226 -3.4226 -2.4698 -2.4698 -2.1962 -2.1962 -1.3010 -1.3010 -0.8439 -0.8439 0.4228 0.4228 0.4839 0.4839 0.7492 0.7492 3.7322 3.7322 5.9182 5.9182 9.4649 9.4649 9.5906 9.5906 10.2439 10.2439 k = 0.0000 0.5012 0.1174 ( 2190 PWs) bands (ev): -18.0168 -18.0168 -16.6069 -16.6069 -7.3536 -7.3536 -3.7502 -3.7502 -3.5437 -3.5437 -2.4591 -2.4591 -2.1824 -2.1824 -1.2993 -1.2993 -0.8407 -0.8407 0.4179 0.4179 0.5760 0.5760 0.9047 0.9047 3.7972 3.7972 5.8713 5.8713 9.4345 9.4345 9.5431 9.5431 10.2684 10.2684 k = 0.0000 0.5012 0.1321 ( 2188 PWs) bands (ev): -18.0093 -18.0093 -16.5744 -16.5744 -7.3934 -7.3934 -3.8756 -3.8756 -3.6709 -3.6709 -2.4471 -2.4471 -2.1667 -2.1667 -1.2970 -1.2970 -0.8372 -0.8372 0.3475 0.3475 0.7351 0.7351 1.0704 1.0704 3.8704 3.8704 5.8212 5.8212 9.3977 9.3977 9.4908 9.4908 10.2961 10.2961 k = 0.0000 0.5012 0.1468 ( 2188 PWs) bands (ev): -18.0011 -18.0011 -16.5381 -16.5381 -7.4372 -7.4372 -4.0054 -4.0054 -3.8027 -3.8027 -2.4341 -2.4341 -2.1492 -2.1492 -1.2940 -1.2940 -0.8332 -0.8332 0.2689 0.2689 0.9025 0.9025 1.2447 1.2447 3.9513 3.9513 5.7686 5.7686 9.3536 9.3536 9.4349 9.4349 10.3271 10.3271 k = 0.0000 0.5012 0.1615 ( 2184 PWs) bands (ev): -17.9919 -17.9919 -16.4981 -16.4981 -7.4847 -7.4847 -4.1383 -4.1383 -3.9378 -3.9378 -2.4202 -2.4202 -2.1298 -2.1298 -1.2903 -1.2903 -0.8290 -0.8290 0.1827 0.1827 1.0765 1.0765 1.4262 1.4262 4.0400 4.0400 5.7144 5.7144 9.3007 9.3007 9.3767 9.3767 10.3612 10.3612 k = 0.0000 0.5012 0.1762 ( 2186 PWs) bands (ev): -17.9820 -17.9820 -16.4543 -16.4543 -7.5357 -7.5357 -4.2733 -4.2733 -4.0750 -4.0750 -2.4060 -2.4060 -2.1088 -2.1088 -1.2861 -1.2861 -0.8244 -0.8244 0.0895 0.0895 1.2562 1.2562 1.6139 1.6139 4.1361 4.1361 5.6593 5.6593 9.2383 9.2383 9.3171 9.3171 10.3985 10.3985 k = 0.0000 0.5012 0.1908 ( 2188 PWs) bands (ev): -17.9714 -17.9714 -16.4068 -16.4068 -7.5898 -7.5898 -4.4096 -4.4096 -4.2135 -4.2135 -2.3916 -2.3916 -2.0862 -2.0862 -1.2814 -1.2814 -0.8197 -0.8197 -0.0102 -0.0102 1.4404 1.4404 1.8069 1.8069 4.2393 4.2393 5.6039 5.6039 9.1668 9.1668 9.2560 9.2560 10.4390 10.4390 k = 0.0000 0.5012 0.2055 ( 2190 PWs) bands (ev): -17.9599 -17.9599 -16.3555 -16.3555 -7.6470 -7.6470 -4.5463 -4.5463 -4.3525 -4.3525 -2.3776 -2.3776 -2.0620 -2.0620 -1.2762 -1.2762 -0.8149 -0.8149 -0.1153 -0.1153 1.6285 1.6285 2.0044 2.0044 4.3495 4.3495 5.5488 5.5488 9.0876 9.0876 9.1923 9.1923 10.4825 10.4825 k = 0.0000 0.5012 0.2202 ( 2194 PWs) bands (ev): -17.9477 -17.9477 -16.3005 -16.3005 -7.7069 -7.7069 -4.6830 -4.6830 -4.4915 -4.4915 -2.3647 -2.3647 -2.0364 -2.0364 -1.2707 -1.2707 -0.8104 -0.8104 -0.2246 -0.2246 1.8198 1.8198 2.2057 2.2057 4.4663 4.4663 5.4945 5.4945 9.0020 9.0020 9.1252 9.1252 10.5291 10.5291 k = 0.0000 0.5012 0.2349 ( 2194 PWs) bands (ev): -17.9348 -17.9348 -16.2419 -16.2419 -7.7692 -7.7692 -4.8191 -4.8191 -4.6299 -4.6299 -2.3538 -2.3538 -2.0096 -2.0096 -1.2650 -1.2650 -0.8066 -0.8066 -0.3363 -0.3363 2.0137 2.0137 2.4105 2.4105 4.5895 4.5895 5.4414 5.4414 8.9108 8.9108 9.0543 9.0543 10.5787 10.5787 k = 0.0000 0.5012 0.2496 ( 2194 PWs) bands (ev): -17.9212 -17.9212 -16.1796 -16.1796 -7.8338 -7.8338 -4.9542 -4.9542 -4.7673 -4.7673 -2.3461 -2.3461 -1.9815 -1.9815 -1.2592 -1.2592 -0.8048 -0.8048 -0.4472 -0.4472 2.2098 2.2098 2.6181 2.6181 4.7188 4.7188 5.3898 5.3898 8.8147 8.8147 8.9795 8.9795 10.6313 10.6313 k = 0.0000 0.5012 0.2643 ( 2192 PWs) bands (ev): -17.9070 -17.9070 -16.1137 -16.1137 -7.9003 -7.9003 -5.0880 -5.0880 -4.9034 -4.9034 -2.3432 -2.3432 -1.9525 -1.9525 -1.2538 -1.2538 -0.8082 -0.8082 -0.5519 -0.5519 2.4076 2.4076 2.8282 2.8282 4.8539 4.8539 5.3400 5.3400 8.7142 8.7142 8.9009 8.9009 10.6868 10.6868 k = 0.0000 0.5012 0.2789 ( 2184 PWs) bands (ev): -17.8921 -17.8921 -16.0441 -16.0441 -7.9686 -7.9686 -5.2201 -5.2201 -5.0379 -5.0379 -2.3474 -2.3474 -1.9226 -1.9226 -1.2494 -1.2494 -0.8254 -0.8254 -0.6383 -0.6383 2.6069 2.6069 3.0405 3.0405 4.9941 4.9941 5.2924 5.2924 8.6097 8.6097 8.8188 8.8188 10.7452 10.7452 k = 0.0000 0.5012 0.2936 ( 2186 PWs) bands (ev): -17.8766 -17.8766 -15.9710 -15.9710 -8.0383 -8.0383 -5.3506 -5.3506 -5.1706 -5.1706 -2.3614 -2.3614 -1.8921 -1.8921 -1.2469 -1.2469 -0.8699 -0.8699 -0.6889 -0.6889 2.8071 2.8071 3.2546 3.2546 5.1369 5.1369 5.2495 5.2495 8.5016 8.5016 8.7335 8.7335 10.8063 10.8063 k = 0.0000 0.5012 0.3083 ( 2188 PWs) bands (ev): -17.8606 -17.8606 -15.8945 -15.8945 -8.1093 -8.1093 -5.4790 -5.4790 -5.3012 -5.3012 -2.3889 -2.3889 -1.8612 -1.8612 -1.2480 -1.2480 -0.9339 -0.9339 -0.7056 -0.7056 3.0080 3.0080 3.4701 3.4701 5.1935 5.1935 5.2998 5.2998 8.3902 8.3902 8.6453 8.6453 10.8702 10.8702 k = 0.0000 0.5012 0.3230 ( 2184 PWs) bands (ev): -17.8440 -17.8440 -15.8144 -15.8144 -8.1813 -8.1813 -5.6050 -5.6050 -5.4295 -5.4295 -2.4335 -2.4335 -1.8300 -1.8300 -1.2546 -1.2546 -0.9929 -0.9929 -0.7067 -0.7067 3.2093 3.2093 3.6869 3.6869 5.1548 5.1548 5.4521 5.4521 8.2759 8.2759 8.5548 8.5548 10.9366 10.9366 k = 0.0000 0.5012 0.3377 ( 2186 PWs) bands (ev): -17.8269 -17.8269 -15.7308 -15.7308 -8.2540 -8.2540 -5.7288 -5.7288 -5.5553 -5.5553 -2.4985 -2.4985 -1.7987 -1.7987 -1.2675 -1.2675 -1.0334 -1.0334 -0.7012 -0.7012 3.4106 3.4106 3.9044 3.9044 5.1149 5.1149 5.6120 5.6120 8.1590 8.1590 8.4623 8.4623 11.0056 11.0056 k = 0.0000 0.5012 0.3523 ( 2190 PWs) bands (ev): -17.8093 -17.8093 -15.6439 -15.6439 -8.3274 -8.3274 -5.8500 -5.8500 -5.6787 -5.6787 -2.5861 -2.5861 -1.7675 -1.7675 -1.2829 -1.2829 -1.0533 -1.0533 -0.6925 -0.6925 3.6117 3.6117 4.1223 4.1223 5.0768 5.0768 5.7766 5.7766 8.0397 8.0397 8.3683 8.3683 11.0770 11.0770 k = 0.0000 0.5012 0.3670 ( 2186 PWs) bands (ev): -17.7914 -17.7914 -15.5535 -15.5535 -8.4010 -8.4010 -5.9686 -5.9686 -5.7993 -5.7993 -2.6961 -2.6961 -1.7364 -1.7364 -1.2944 -1.2944 -1.0574 -1.0574 -0.6815 -0.6815 3.8122 3.8122 4.3397 4.3397 5.0412 5.0412 5.9452 5.9452 7.9184 7.9184 8.2734 8.2734 11.1507 11.1507 k = 0.0000 0.5012 0.3817 ( 2186 PWs) bands (ev): -17.7731 -17.7731 -15.4600 -15.4600 -8.4749 -8.4749 -6.0843 -6.0843 -5.9171 -5.9171 -2.8268 -2.8268 -1.7055 -1.7055 -1.2977 -1.2977 -1.0511 -1.0511 -0.6690 -0.6690 4.0113 4.0113 4.5545 4.5545 5.0104 5.0104 6.1174 6.1174 7.7954 7.7954 8.1779 8.1779 11.2265 11.2265 k = 0.0000 0.5012 0.3964 ( 2188 PWs) bands (ev): -17.7544 -17.7544 -15.3631 -15.3631 -8.5486 -8.5486 -6.1973 -6.1973 -6.0320 -6.0320 -2.9752 -2.9752 -1.6748 -1.6748 -1.2917 -1.2917 -1.0379 -1.0379 -0.6549 -0.6549 4.2079 4.2079 4.7569 4.7569 4.9947 4.9947 6.2928 6.2928 7.6709 7.6709 8.0825 8.0825 11.3043 11.3043 k = 0.0000 0.5012 0.4111 ( 2188 PWs) bands (ev): -17.7355 -17.7355 -15.2631 -15.2631 -8.6221 -8.6221 -6.3073 -6.3073 -6.1439 -6.1439 -3.1381 -3.1381 -1.6445 -1.6445 -1.2773 -1.2773 -1.0195 -1.0195 -0.6393 -0.6393 4.3992 4.3992 4.8788 4.8788 5.0646 5.0646 6.4711 6.4711 7.5454 7.5454 7.9877 7.9877 11.3840 11.3840 k = 0.0000 0.5012 0.4257 ( 2182 PWs) bands (ev): -17.7163 -17.7163 -15.1599 -15.1599 -8.6952 -8.6952 -6.4142 -6.4142 -6.2527 -6.2527 -3.3127 -3.3127 -1.6147 -1.6147 -1.2562 -1.2562 -0.9968 -0.9968 -0.6223 -0.6223 4.5749 4.5749 4.8963 4.8963 5.2534 5.2534 6.6519 6.6519 7.4190 7.4190 7.8939 7.8939 11.4653 11.4653 k = 0.0000 0.5012 0.4404 ( 2182 PWs) bands (ev): -17.6970 -17.6970 -15.0537 -15.0537 -8.7676 -8.7676 -6.5180 -6.5180 -6.3583 -6.3583 -3.4965 -3.4965 -1.5855 -1.5855 -1.2302 -1.2302 -0.9702 -0.9702 -0.6036 -0.6036 4.6951 4.6951 4.9439 4.9439 5.4659 5.4659 6.8348 6.8348 7.2920 7.2920 7.8017 7.8017 11.5480 11.5480 k = 0.0000 0.5012 0.4551 ( 2180 PWs) bands (ev): -17.6775 -17.6775 -14.9446 -14.9446 -8.8392 -8.8392 -6.6186 -6.6186 -6.4607 -6.4607 -3.6875 -3.6875 -1.5573 -1.5573 -1.2007 -1.2007 -0.9398 -0.9398 -0.5831 -0.5831 4.7197 4.7197 5.0808 5.0808 5.6825 5.6825 7.0189 7.0189 7.1651 7.1651 7.7117 7.7117 11.6320 11.6320 k = 0.0000 0.5012 0.4698 ( 2176 PWs) bands (ev): -17.6579 -17.6579 -14.8326 -14.8326 -8.9099 -8.9099 -6.7160 -6.7160 -6.5597 -6.5597 -3.8841 -3.8841 -1.5302 -1.5302 -1.1693 -1.1693 -0.9057 -0.9057 -0.5608 -0.5608 4.6994 4.6994 5.2587 5.2587 5.8998 5.8998 7.0367 7.0367 7.2055 7.2055 7.6245 7.6245 11.7170 11.7170 k = 0.0000 0.5012 0.4845 ( 2182 PWs) bands (ev): -17.6384 -17.6384 -14.7180 -14.7180 -8.9794 -8.9794 -6.8101 -6.8101 -6.6555 -6.6555 -4.0850 -4.0850 -1.5045 -1.5045 -1.1369 -1.1369 -0.8679 -0.8679 -0.5364 -0.5364 4.6655 4.6655 5.4470 5.4470 6.1167 6.1167 6.9101 6.9101 7.3892 7.3892 7.5426 7.5426 11.8027 11.8027 k = 0.0000 0.5012 0.4991 ( 2182 PWs) bands (ev): -17.6189 -17.6189 -14.6007 -14.6007 -9.0476 -9.0476 -6.9009 -6.9009 -6.7479 -6.7479 -4.2890 -4.2890 -1.4802 -1.4802 -1.1045 -1.1045 -0.8265 -0.8265 -0.5097 -0.5097 4.6255 4.6255 5.6381 5.6381 6.3326 6.3326 6.7838 6.7838 7.4521 7.4521 7.5856 7.5856 11.8890 11.8890 k = 0.0000 0.5012 0.5138 ( 2186 PWs) bands (ev): -17.5995 -17.5995 -14.4810 -14.4810 -9.1144 -9.1144 -6.9883 -6.9883 -6.8368 -6.8368 -4.4953 -4.4953 -1.4573 -1.4573 -1.0728 -1.0728 -0.7816 -0.7816 -0.4806 -0.4806 4.5815 4.5815 5.8297 5.8297 6.5463 6.5463 6.6589 6.6589 7.3786 7.3786 7.7690 7.7690 11.9755 11.9755 k = 0.0000 0.5012 0.5285 ( 2184 PWs) bands (ev): -17.5803 -17.5803 -14.3589 -14.3589 -9.1795 -9.1795 -7.0722 -7.0722 -6.9222 -6.9222 -4.7031 -4.7031 -1.4361 -1.4361 -1.0423 -1.0423 -0.7335 -0.7335 -0.4490 -0.4490 4.5344 4.5344 6.0208 6.0208 6.5331 6.5331 6.7594 6.7594 7.3078 7.3078 7.9543 7.9543 12.0620 12.0620 k = 0.0000 0.5012 0.5432 ( 2184 PWs) bands (ev): -17.5613 -17.5613 -14.2347 -14.2347 -9.2429 -9.2429 -7.1527 -7.1527 -7.0040 -7.0040 -4.9115 -4.9115 -1.4163 -1.4163 -1.0134 -1.0134 -0.6825 -0.6825 -0.4149 -0.4149 4.4843 4.4843 6.2107 6.2107 6.4104 6.4104 6.9640 6.9640 7.2461 7.2461 8.1384 8.1384 12.1481 12.1481 k = 0.0000 0.5012 0.5579 ( 2184 PWs) bands (ev): -17.5426 -17.5426 -14.1086 -14.1086 -9.3044 -9.3044 -7.2296 -7.2296 -7.0823 -7.0823 -5.1200 -5.1200 -1.3981 -1.3981 -0.9863 -0.9863 -0.6290 -0.6290 -0.3783 -0.3783 4.4317 4.4317 6.2890 6.2890 6.3992 6.3992 7.1141 7.1141 7.2418 7.2418 8.3203 8.3203 12.2337 12.2337 k = 0.0000 0.5012 0.5725 ( 2184 PWs) bands (ev): -17.5243 -17.5243 -13.9808 -13.9808 -9.3639 -9.3639 -7.3030 -7.3030 -7.1569 -7.1569 -5.3279 -5.3279 -1.3813 -1.3813 -0.9612 -0.9612 -0.5734 -0.5734 -0.3394 -0.3394 4.3765 4.3765 6.1701 6.1701 6.5846 6.5846 7.0952 7.0952 7.4101 7.4101 8.4990 8.4990 12.3184 12.3184 k = 0.0000 0.5012 0.5872 ( 2186 PWs) bands (ev): -17.5064 -17.5064 -13.8517 -13.8517 -9.4212 -9.4212 -7.3728 -7.3728 -7.2280 -7.2280 -5.5347 -5.5347 -1.3659 -1.3659 -0.9381 -0.9381 -0.5161 -0.5161 -0.2984 -0.2984 4.3191 4.3191 6.0534 6.0534 6.7639 6.7639 7.0519 7.0519 7.6093 7.6093 8.6736 8.6736 12.4021 12.4021 k = 0.0000 0.5012 0.6019 ( 2182 PWs) bands (ev): -17.4889 -17.4889 -13.7212 -13.7212 -9.4762 -9.4762 -7.4390 -7.4390 -7.2953 -7.2953 -5.7397 -5.7397 -1.3517 -1.3517 -0.9169 -0.9169 -0.4575 -0.4575 -0.2556 -0.2556 4.2598 4.2598 5.9395 5.9395 6.9082 6.9082 7.0426 7.0426 7.8092 7.8092 8.8431 8.8431 12.4846 12.4846 k = 0.0000 0.5012 0.6166 ( 2184 PWs) bands (ev): -17.4721 -17.4721 -13.5902 -13.5902 -9.5287 -9.5287 -7.5016 -7.5016 -7.3589 -7.3589 -5.9423 -5.9423 -1.3387 -1.3387 -0.8977 -0.8977 -0.3981 -0.3981 -0.2114 -0.2114 4.1988 4.1988 5.8287 5.8287 6.9197 6.9197 7.1677 7.1677 8.0066 8.0066 9.0060 9.0060 12.5657 12.5657 k = 0.0000 0.5012 0.6313 ( 2184 PWs) bands (ev): -17.4558 -17.4558 -13.4587 -13.4587 -9.5788 -9.5788 -7.5604 -7.5604 -7.4187 -7.4187 -6.1418 -6.1418 -1.3269 -1.3269 -0.8803 -0.8803 -0.3382 -0.3382 -0.1662 -0.1662 4.1366 4.1366 5.7213 5.7213 6.8864 6.8864 7.3394 7.3394 8.2005 8.2005 9.1611 9.1611 12.6455 12.6455 k = 0.0000 0.5012 0.6459 ( 2190 PWs) bands (ev): -17.4403 -17.4403 -13.3274 -13.3274 -9.6262 -9.6262 -7.6157 -7.6157 -7.4749 -7.4749 -6.3376 -6.3376 -1.3161 -1.3161 -0.8646 -0.8646 -0.2785 -0.2785 -0.1204 -0.1204 4.0736 4.0736 5.6179 5.6179 6.8511 6.8511 7.5149 7.5149 8.3899 8.3899 9.3069 9.3069 12.7240 12.7240 k = 0.0000 0.5012 0.6606 ( 2192 PWs) bands (ev): -17.4255 -17.4255 -13.1968 -13.1968 -9.6708 -9.6708 -7.6672 -7.6672 -7.5272 -7.5272 -6.5289 -6.5289 -1.3062 -1.3062 -0.8505 -0.8505 -0.2193 -0.2193 -0.0745 -0.0745 4.0104 4.0104 5.5187 5.5187 6.8181 6.8181 7.6896 7.6896 8.5744 8.5744 9.4418 9.4418 12.8013 12.8014 k = 0.0000 0.5012 0.6753 ( 2192 PWs) bands (ev): -17.4115 -17.4115 -13.0677 -13.0677 -9.7126 -9.7126 -7.7150 -7.7150 -7.5757 -7.5757 -6.7148 -6.7148 -1.2973 -1.2973 -0.8378 -0.8378 -0.1610 -0.1610 -0.0290 -0.0290 3.9477 3.9477 5.4243 5.4243 6.7883 6.7883 7.8621 7.8621 8.7530 8.7530 9.5640 9.5640 12.8777 12.8777 k = 0.0000 0.5012 0.6900 ( 2196 PWs) bands (ev): -17.3984 -17.3984 -12.9406 -12.9406 -9.7514 -9.7514 -7.7592 -7.7592 -7.6205 -7.6205 -6.8945 -6.8945 -1.2892 -1.2892 -0.8265 -0.8265 -0.1044 -0.1044 0.0155 0.0155 3.8859 3.8859 5.3349 5.3349 6.7616 6.7616 8.0318 8.0318 8.9249 8.9249 9.6718 9.6718 12.9530 12.9530 k = 0.0000 0.5012 0.7047 ( 2194 PWs) bands (ev): -17.3862 -17.3862 -12.8166 -12.8166 -9.7871 -9.7871 -7.7995 -7.7995 -7.6614 -7.6614 -7.0668 -7.0668 -1.2819 -1.2819 -0.8165 -0.8165 -0.0497 -0.0497 0.0586 0.0586 3.8259 3.8259 5.2512 5.2512 6.7381 6.7381 8.1982 8.1982 9.0891 9.0891 9.7638 9.7638 13.0272 13.0272 k = 0.0000 0.5012 0.7193 ( 2192 PWs) bands (ev): -17.3750 -17.3750 -12.6968 -12.6968 -9.8197 -9.8197 -7.8361 -7.8361 -7.6984 -7.6984 -7.2306 -7.2306 -1.2754 -1.2754 -0.8076 -0.8076 0.0022 0.0022 0.0997 0.0997 3.7683 3.7683 5.1736 5.1736 6.7176 6.7176 8.3607 8.3607 9.2444 9.2444 9.8386 9.8386 13.0992 13.0992 k = 0.0000 0.5012 0.7340 ( 2190 PWs) bands (ev): -17.3648 -17.3648 -12.5825 -12.5825 -9.8491 -9.8491 -7.8691 -7.8691 -7.7316 -7.7316 -7.3843 -7.3843 -1.2697 -1.2697 -0.7998 -0.7998 0.0510 0.0510 0.1384 0.1384 3.7139 3.7139 5.1025 5.1025 6.6999 6.6999 8.5189 8.5189 9.3893 9.3893 9.8953 9.8953 13.1675 13.1675 k = 0.0000 0.5012 0.7487 ( 2194 PWs) bands (ev): -17.3557 -17.3557 -12.4751 -12.4751 -9.8753 -9.8753 -7.8985 -7.8985 -7.7609 -7.7609 -7.5264 -7.5264 -1.2647 -1.2647 -0.7932 -0.7932 0.0959 0.0959 0.1741 0.1741 3.6635 3.6635 5.0383 5.0383 6.6849 6.6849 8.6720 8.6720 9.5221 9.5221 9.9337 9.9337 13.2290 13.2290 k = 0.0000 0.5012 0.7634 ( 2190 PWs) bands (ev): -17.3478 -17.3478 -12.3762 -12.3762 -9.8980 -9.8980 -7.9245 -7.9245 -7.7863 -7.7863 -7.6550 -7.6550 -1.2603 -1.2603 -0.7874 -0.7874 0.1363 0.1363 0.2063 0.2063 3.6179 3.6179 4.9816 4.9816 6.6722 6.6722 8.8191 8.8191 9.6402 9.6402 9.9549 9.9549 13.2793 13.2793 k = 0.0000 0.5012 0.7781 ( 2186 PWs) bands (ev): -17.3409 -17.3409 -12.2877 -12.2877 -9.9174 -9.9174 -7.9475 -7.9475 -7.8079 -7.8079 -7.7675 -7.7675 -1.2567 -1.2567 -0.7826 -0.7826 0.1716 0.1716 0.2346 0.2346 3.5777 3.5777 4.9328 4.9328 6.6618 6.6618 8.9591 8.9591 9.7390 9.7390 9.9624 9.9624 13.3145 13.3145 k = 0.0000 0.5012 0.7928 ( 2190 PWs) bands (ev): -17.3353 -17.3353 -12.2117 -12.2117 -9.9333 -9.9333 -7.9692 -7.9692 -7.8611 -7.8611 -7.8251 -7.8251 -1.2538 -1.2538 -0.7787 -0.7787 0.2013 0.2013 0.2585 0.2585 3.5438 3.5438 4.8923 4.8923 6.6535 6.6535 9.0902 9.0902 9.8079 9.8079 9.9664 9.9664 13.3336 13.3336 k = 0.0000 0.5012 0.8074 ( 2192 PWs) bands (ev): -17.3309 -17.3309 -12.1498 -12.1498 -9.9457 -9.9457 -7.9945 -7.9945 -7.9278 -7.9278 -7.8390 -7.8390 -1.2515 -1.2515 -0.7758 -0.7758 0.2249 0.2249 0.2777 0.2777 3.5166 3.5166 4.8603 4.8603 6.6471 6.6471 9.2100 9.2100 9.8290 9.8290 9.9863 9.9863 13.3398 13.3398 k = 0.0000 0.5012 0.8221 ( 2194 PWs) bands (ev): -17.3278 -17.3278 -12.1042 -12.1042 -9.9546 -9.9546 -8.0284 -8.0284 -7.9611 -7.9611 -7.8489 -7.8489 -1.2499 -1.2499 -0.7737 -0.7737 0.2420 0.2420 0.2917 0.2917 3.4968 3.4968 4.8373 4.8373 6.6427 6.6427 9.3134 9.3134 9.8087 9.8087 10.0191 10.0191 13.3388 13.3388 k = 0.0000 0.5012 0.8368 ( 2196 PWs) bands (ev): -17.3259 -17.3259 -12.0762 -12.0762 -9.9599 -9.9599 -8.0567 -8.0567 -7.9739 -7.9739 -7.8548 -7.8548 -1.2489 -1.2489 -0.7724 -0.7724 0.2524 0.2524 0.3003 0.3003 3.4848 3.4848 4.8234 4.8234 6.6400 6.6400 9.3900 9.3900 9.7765 9.7765 10.0445 10.0445 13.3359 13.3359 k = 0.0000 0.5012 0.8515 ( 2196 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9617 -9.9617 -8.0670 -8.0670 -7.9774 -7.9774 -7.8567 -7.8567 -1.2486 -1.2486 -0.7720 -0.7720 0.2558 0.2558 0.3031 0.3031 3.4807 3.4807 4.8188 4.8188 6.6391 6.6391 9.4203 9.4203 9.7605 9.7605 10.0537 10.0537 13.3345 13.3345 k = 0.0000 0.5012 0.8515 ( 2196 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9617 -9.9617 -8.0670 -8.0670 -7.9774 -7.9774 -7.8567 -7.8567 -1.2486 -1.2486 -0.7720 -0.7720 0.2558 0.2558 0.3031 0.3031 3.4807 3.4807 4.8188 4.8188 6.6391 6.6391 9.4203 9.4203 9.7605 9.7605 10.0537 10.0537 13.3345 13.3345 k = 0.0146 0.5012 0.8515 ( 2198 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9617 -9.9617 -8.0670 -8.0670 -7.9774 -7.9774 -7.8568 -7.8568 -1.2485 -1.2485 -0.7719 -0.7719 0.2558 0.2558 0.3031 0.3031 3.4818 3.4818 4.8176 4.8176 6.6372 6.6372 9.4230 9.4230 9.7607 9.7607 10.0535 10.0535 13.3326 13.3326 k = 0.0293 0.5012 0.8515 ( 2198 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9617 -9.9617 -8.0669 -8.0669 -7.9775 -7.9775 -7.8568 -7.8568 -1.2483 -1.2483 -0.7717 -0.7717 0.2558 0.2558 0.3029 0.3029 3.4849 3.4849 4.8141 4.8141 6.6312 6.6312 9.4311 9.4311 9.7612 9.7612 10.0529 10.0529 13.3269 13.3269 k = 0.0439 0.5012 0.8515 ( 2192 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9616 -9.9616 -8.0668 -8.0668 -7.9776 -7.9776 -7.8569 -7.8569 -1.2479 -1.2479 -0.7712 -0.7712 0.2559 0.2559 0.3026 0.3026 3.4901 3.4901 4.8083 4.8083 6.6213 6.6213 9.4445 9.4445 9.7622 9.7622 10.0519 10.0519 13.3174 13.3174 k = 0.0585 0.5012 0.8515 ( 2192 PWs) bands (ev): -17.3252 -17.3252 -12.0667 -12.0667 -9.9616 -9.9616 -8.0666 -8.0666 -7.9777 -7.9777 -7.8571 -7.8571 -1.2474 -1.2474 -0.7707 -0.7707 0.2559 0.2559 0.3022 0.3022 3.4973 3.4973 4.8003 4.8003 6.6076 6.6076 9.4631 9.4631 9.7634 9.7634 10.0505 10.0505 13.3043 13.3043 k = 0.0731 0.5012 0.8515 ( 2192 PWs) bands (ev): -17.3251 -17.3251 -12.0667 -12.0667 -9.9615 -9.9615 -8.0664 -8.0664 -7.9779 -7.9779 -7.8574 -7.8574 -1.2469 -1.2469 -0.7700 -0.7700 0.2559 0.2559 0.3017 0.3017 3.5067 3.5067 4.7902 4.7902 6.5900 6.5900 9.4868 9.4868 9.7650 9.7650 10.0489 10.0489 13.2879 13.2879 k = 0.0878 0.5012 0.8515 ( 2190 PWs) bands (ev): -17.3251 -17.3251 -12.0666 -12.0666 -9.9615 -9.9615 -8.0662 -8.0662 -7.9781 -7.9781 -7.8577 -7.8577 -1.2461 -1.2461 -0.7691 -0.7691 0.2559 0.2559 0.3010 0.3010 3.5180 3.5180 4.7782 4.7782 6.5688 6.5688 9.5154 9.5154 9.7669 9.7669 10.0469 10.0469 13.2683 13.2683 k = 0.1024 0.5012 0.8515 ( 2188 PWs) bands (ev): -17.3250 -17.3250 -12.0666 -12.0666 -9.9614 -9.9614 -8.0658 -8.0658 -7.9784 -7.9784 -7.8580 -7.8580 -1.2452 -1.2452 -0.7681 -0.7681 0.2560 0.2560 0.3003 0.3003 3.5314 3.5314 4.7643 4.7643 6.5439 6.5439 9.5487 9.5487 9.7691 9.7691 10.0446 10.0446 13.2458 13.2458 k = 0.1170 0.5012 0.8515 ( 2184 PWs) bands (ev): -17.3250 -17.3250 -12.0665 -12.0665 -9.9613 -9.9613 -8.0655 -8.0655 -7.9787 -7.9787 -7.8583 -7.8583 -1.2442 -1.2442 -0.7670 -0.7670 0.2560 0.2560 0.2995 0.2995 3.5467 3.5467 4.7487 4.7487 6.5155 6.5155 9.5866 9.5866 9.7715 9.7715 10.0421 10.0421 13.2208 13.2208 k = 0.1317 0.5012 0.8515 ( 2186 PWs) bands (ev): -17.3249 -17.3249 -12.0665 -12.0665 -9.9612 -9.9612 -8.0651 -8.0651 -7.9791 -7.9791 -7.8588 -7.8588 -1.2432 -1.2432 -0.7658 -0.7658 0.2560 0.2560 0.2985 0.2985 3.5640 3.5640 4.7317 4.7317 6.4838 6.4838 9.6286 9.6286 9.7741 9.7741 10.0393 10.0393 13.1936 13.1936 k = 0.1463 0.5012 0.8515 ( 2182 PWs) bands (ev): -17.3248 -17.3248 -12.0665 -12.0665 -9.9610 -9.9610 -8.0647 -8.0647 -7.9795 -7.9795 -7.8592 -7.8592 -1.2420 -1.2420 -0.7644 -0.7644 0.2560 0.2560 0.2976 0.2976 3.5832 3.5832 4.7134 4.7134 6.4489 6.4489 9.6746 9.6746 9.7770 9.7770 10.0364 10.0364 13.1644 13.1644 k = 0.1609 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3248 -17.3248 -12.0665 -12.0665 -9.9609 -9.9609 -8.0642 -8.0642 -7.9799 -7.9799 -7.8597 -7.8597 -1.2407 -1.2407 -0.7629 -0.7629 0.2561 0.2561 0.2965 0.2965 3.6044 3.6044 4.6941 4.6941 6.4111 6.4111 9.7242 9.7242 9.7801 9.7801 10.0334 10.0334 13.1336 13.1336 k = 0.1755 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3247 -17.3247 -12.0664 -12.0664 -9.9608 -9.9608 -8.0637 -8.0637 -7.9804 -7.9804 -7.8603 -7.8603 -1.2394 -1.2394 -0.7614 -0.7614 0.2561 0.2561 0.2954 0.2954 3.6273 3.6273 4.6738 4.6738 6.3704 6.3704 9.7752 9.7752 9.7852 9.7852 10.0304 10.0304 13.1016 13.1016 k = 0.1902 0.5012 0.8515 ( 2186 PWs) bands (ev): -17.3246 -17.3246 -12.0665 -12.0665 -9.9607 -9.9607 -8.0631 -8.0631 -7.9809 -7.9809 -7.8608 -7.8608 -1.2381 -1.2381 -0.7599 -0.7599 0.2561 0.2561 0.2943 0.2943 3.6520 3.6520 4.6529 4.6529 6.3270 6.3270 9.7853 9.7853 9.8342 9.8342 10.0275 10.0275 13.0686 13.0686 k = 0.2048 0.5012 0.8515 ( 2184 PWs) bands (ev): -17.3245 -17.3245 -12.0664 -12.0664 -9.9605 -9.9605 -8.0626 -8.0626 -7.9814 -7.9814 -7.8614 -7.8614 -1.2366 -1.2366 -0.7582 -0.7582 0.2560 0.2560 0.2931 0.2931 3.6785 3.6785 4.6316 4.6316 6.2813 6.2813 9.7886 9.7886 9.8927 9.8927 10.0248 10.0248 13.0350 13.0350 k = 0.2194 0.5012 0.8515 ( 2184 PWs) bands (ev): -17.3244 -17.3244 -12.0664 -12.0664 -9.9604 -9.9604 -8.0620 -8.0620 -7.9819 -7.9819 -7.8620 -7.8620 -1.2351 -1.2351 -0.7565 -0.7565 0.2560 0.2560 0.2919 0.2919 3.7065 3.7065 4.6100 4.6100 6.2334 6.2334 9.7916 9.7916 9.9530 9.9530 10.0228 10.0228 13.0009 13.0009 k = 0.2340 0.5012 0.8515 ( 2184 PWs) bands (ev): -17.3243 -17.3243 -12.0664 -12.0664 -9.9603 -9.9603 -8.0614 -8.0614 -7.9824 -7.9824 -7.8626 -7.8626 -1.2336 -1.2336 -0.7548 -0.7548 0.2560 0.2560 0.2908 0.2908 3.7361 3.7361 4.5884 4.5884 6.1836 6.1836 9.7945 9.7945 10.0063 10.0063 10.0302 10.0302 12.9667 12.9667 k = 0.2487 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3243 -17.3243 -12.0664 -12.0664 -9.9601 -9.9601 -8.0607 -8.0607 -7.9829 -7.9829 -7.8632 -7.8632 -1.2321 -1.2321 -0.7530 -0.7530 0.2559 0.2559 0.2896 0.2896 3.7672 3.7672 4.5670 4.5670 6.1321 6.1321 9.7973 9.7973 10.0132 10.0132 10.0857 10.0857 12.9325 12.9325 k = 0.2633 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3242 -17.3242 -12.0664 -12.0664 -9.9600 -9.9600 -8.0601 -8.0601 -7.9835 -7.9835 -7.8638 -7.8638 -1.2305 -1.2305 -0.7512 -0.7512 0.2558 0.2558 0.2884 0.2884 3.7995 3.7995 4.5459 4.5459 6.0792 6.0792 9.7999 9.7999 10.0118 10.0118 10.1511 10.1511 12.8985 12.8985 k = 0.2779 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3241 -17.3241 -12.0664 -12.0664 -9.9598 -9.9598 -8.0595 -8.0595 -7.9841 -7.9841 -7.8644 -7.8644 -1.2290 -1.2290 -0.7494 -0.7494 0.2557 0.2557 0.2873 0.2873 3.8330 3.8330 4.5254 4.5254 6.0251 6.0251 9.8022 9.8022 10.0100 10.0100 10.2180 10.2180 12.8650 12.8650 k = 0.2926 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3240 -17.3240 -12.0665 -12.0665 -9.9597 -9.9597 -8.0588 -8.0588 -7.9847 -7.9847 -7.8650 -7.8650 -1.2275 -1.2275 -0.7477 -0.7477 0.2556 0.2556 0.2863 0.2863 3.8675 3.8675 4.5056 4.5056 5.9702 5.9702 9.8043 9.8043 10.0083 10.0083 10.2855 10.2855 12.8320 12.8320 k = 0.3072 0.5012 0.8515 ( 2182 PWs) bands (ev): -17.3239 -17.3239 -12.0664 -12.0664 -9.9595 -9.9595 -8.0582 -8.0582 -7.9852 -7.9852 -7.8656 -7.8656 -1.2260 -1.2260 -0.7460 -0.7460 0.2554 0.2554 0.2853 0.2853 3.9028 3.9028 4.4868 4.4868 5.9148 5.9148 9.8062 9.8062 10.0068 10.0068 10.3530 10.3530 12.7998 12.7998 k = 0.3218 0.5012 0.8515 ( 2182 PWs) bands (ev): -17.3238 -17.3238 -12.0664 -12.0664 -9.9594 -9.9594 -8.0576 -8.0576 -7.9858 -7.9858 -7.8662 -7.8662 -1.2246 -1.2246 -0.7444 -0.7444 0.2553 0.2553 0.2843 0.2843 3.9386 3.9386 4.4691 4.4691 5.8593 5.8593 9.8078 9.8078 10.0056 10.0056 10.4200 10.4200 12.7685 12.7685 k = 0.3364 0.5012 0.8515 ( 2182 PWs) bands (ev): -17.3237 -17.3237 -12.0664 -12.0664 -9.9593 -9.9593 -8.0569 -8.0569 -7.9863 -7.9863 -7.8667 -7.8667 -1.2232 -1.2232 -0.7428 -0.7428 0.2551 0.2551 0.2834 0.2834 3.9746 3.9746 4.4527 4.4527 5.8040 5.8040 9.8092 9.8092 10.0046 10.0046 10.4860 10.4860 12.7383 12.7383 k = 0.3511 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3237 -17.3237 -12.0664 -12.0664 -9.9592 -9.9592 -8.0564 -8.0564 -7.9868 -7.9868 -7.8672 -7.8672 -1.2219 -1.2219 -0.7413 -0.7413 0.2549 0.2549 0.2827 0.2827 4.0105 4.0105 4.4378 4.4378 5.7494 5.7494 9.8103 9.8103 10.0039 10.0039 10.5502 10.5502 12.7093 12.7093 k = 0.3657 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3236 -17.3236 -12.0664 -12.0664 -9.9591 -9.9591 -8.0558 -8.0558 -7.9873 -7.9873 -7.8677 -7.8677 -1.2206 -1.2206 -0.7399 -0.7399 0.2547 0.2547 0.2819 0.2819 4.0458 4.0458 4.4246 4.4246 5.6959 5.6959 9.8111 9.8111 10.0034 10.0034 10.6122 10.6122 12.6820 12.6820 k = 0.3803 0.5012 0.8515 ( 2182 PWs) bands (ev): -17.3235 -17.3235 -12.0664 -12.0664 -9.9590 -9.9590 -8.0553 -8.0553 -7.9878 -7.9878 -7.8682 -7.8682 -1.2195 -1.2195 -0.7386 -0.7386 0.2545 0.2545 0.2813 0.2813 4.0801 4.0801 4.4132 4.4132 5.6442 5.6442 9.8118 9.8118 10.0031 10.0031 10.6711 10.6711 12.6564 12.6564 k = 0.3950 0.5012 0.8515 ( 2178 PWs) bands (ev): -17.3235 -17.3235 -12.0664 -12.0664 -9.9589 -9.9589 -8.0548 -8.0548 -7.9883 -7.9883 -7.8686 -7.8686 -1.2184 -1.2184 -0.7373 -0.7373 0.2543 0.2543 0.2808 0.2808 4.1127 4.1127 4.4038 4.4038 5.5947 5.5947 9.8123 9.8123 10.0031 10.0031 10.7263 10.7263 12.6331 12.6331 k = 0.4096 0.5012 0.8515 ( 2174 PWs) bands (ev): -17.3234 -17.3234 -12.0663 -12.0663 -9.9588 -9.9588 -8.0543 -8.0543 -7.9886 -7.9886 -7.8689 -7.8689 -1.2175 -1.2175 -0.7362 -0.7362 0.2541 0.2541 0.2803 0.2803 4.1430 4.1430 4.3966 4.3966 5.5482 5.5482 9.8127 9.8127 10.0032 10.0032 10.7768 10.7768 12.6125 12.6125 k = 0.4242 0.5012 0.8515 ( 2176 PWs) bands (ev): -17.3234 -17.3234 -12.0663 -12.0663 -9.9588 -9.9588 -8.0539 -8.0539 -7.9889 -7.9889 -7.8692 -7.8692 -1.2167 -1.2167 -0.7353 -0.7353 0.2539 0.2539 0.2799 0.2799 4.1703 4.1703 4.3915 4.3915 5.5055 5.5055 9.8129 9.8129 10.0033 10.0033 10.8219 10.8219 12.5949 12.5949 k = 0.4388 0.5012 0.8515 ( 2176 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0536 -8.0536 -7.9893 -7.9893 -7.8695 -7.8695 -1.2160 -1.2160 -0.7345 -0.7345 0.2538 0.2538 0.2796 0.2796 4.1941 4.1941 4.3883 4.3883 5.4675 5.4675 9.8131 9.8131 10.0036 10.0036 10.8607 10.8607 12.5810 12.5810 k = 0.4535 0.5012 0.8515 ( 2180 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0533 -8.0533 -7.9895 -7.9895 -7.8698 -7.8698 -1.2154 -1.2154 -0.7339 -0.7339 0.2537 0.2537 0.2793 0.2793 4.2141 4.2141 4.3865 4.3865 5.4352 5.4352 9.8131 9.8131 10.0039 10.0039 10.8925 10.8925 12.5713 12.5713 k = 0.4681 0.5012 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0531 -8.0531 -7.9897 -7.9897 -7.8699 -7.8699 -1.2150 -1.2150 -0.7334 -0.7334 0.2536 0.2536 0.2791 0.2791 4.2304 4.2304 4.3851 4.3851 5.4094 5.4094 9.8132 9.8132 10.0042 10.0042 10.9164 10.9164 12.5661 12.5661 k = 0.4681 0.5012 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0531 -8.0531 -7.9897 -7.9897 -7.8699 -7.8699 -1.2150 -1.2150 -0.7334 -0.7334 0.2536 0.2536 0.2791 0.2791 4.2304 4.2304 4.3851 4.3851 5.4094 5.4094 9.8132 9.8132 10.0042 10.0042 10.9164 10.9164 12.5661 12.5661 k = 0.4581 0.4905 0.8515 ( 2180 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0534 -8.0534 -7.9895 -7.9895 -7.8697 -7.8697 -1.2156 -1.2156 -0.7341 -0.7341 0.2537 0.2537 0.2794 0.2794 4.2067 4.2067 4.3878 4.3878 5.4458 5.4458 9.8131 9.8131 10.0037 10.0037 10.8836 10.8836 12.5706 12.5706 k = 0.4482 0.4798 0.8515 ( 2176 PWs) bands (ev): -17.3233 -17.3233 -12.0662 -12.0662 -9.9587 -9.9587 -8.0538 -8.0538 -7.9891 -7.9891 -7.8694 -7.8694 -1.2163 -1.2163 -0.7350 -0.7350 0.2538 0.2538 0.2797 0.2797 4.1791 4.1791 4.3912 4.3912 5.4894 5.4894 9.8131 9.8131 10.0031 10.0031 10.8436 10.8436 12.5761 12.5761 k = 0.4382 0.4692 0.8515 ( 2172 PWs) bands (ev): -17.3234 -17.3234 -12.0663 -12.0663 -9.9587 -9.9587 -8.0542 -8.0542 -7.9887 -7.9887 -7.8691 -7.8691 -1.2172 -1.2172 -0.7360 -0.7360 0.2539 0.2539 0.2801 0.2801 4.1485 4.1485 4.3953 4.3953 5.5388 5.5388 9.8130 9.8130 10.0024 10.0024 10.7975 10.7975 12.5826 12.5826 k = 0.4283 0.4585 0.8515 ( 2172 PWs) bands (ev): -17.3235 -17.3235 -12.0663 -12.0663 -9.9588 -9.9588 -8.0547 -8.0547 -7.9883 -7.9883 -7.8687 -7.8687 -1.2183 -1.2183 -0.7372 -0.7372 0.2540 0.2540 0.2805 0.2805 4.1160 4.1160 4.4001 4.4001 5.5928 5.5928 9.8129 9.8129 10.0018 10.0018 10.7464 10.7464 12.5901 12.5901 k = 0.4183 0.4478 0.8515 ( 2168 PWs) bands (ev): -17.3235 -17.3235 -12.0663 -12.0663 -9.9588 -9.9588 -8.0553 -8.0553 -7.9878 -7.9878 -7.8682 -7.8682 -1.2194 -1.2194 -0.7384 -0.7384 0.2542 0.2542 0.2810 0.2810 4.0825 4.0825 4.4055 4.4055 5.6503 5.6503 9.8128 9.8128 10.0012 10.0012 10.6914 10.6914 12.5985 12.5985 k = 0.4083 0.4372 0.8515 ( 2160 PWs) bands (ev): -17.3236 -17.3236 -12.0663 -12.0663 -9.9589 -9.9589 -8.0559 -8.0559 -7.9872 -7.9872 -7.8677 -7.8677 -1.2206 -1.2206 -0.7398 -0.7398 0.2544 0.2544 0.2816 0.2816 4.0486 4.0486 4.4115 4.4115 5.7101 5.7101 9.8127 9.8127 10.0007 10.0007 10.6336 10.6336 12.6079 12.6079 k = 0.3984 0.4265 0.8515 ( 2164 PWs) bands (ev): -17.3237 -17.3237 -12.0663 -12.0663 -9.9590 -9.9590 -8.0565 -8.0565 -7.9866 -7.9866 -7.8672 -7.8672 -1.2221 -1.2221 -0.7414 -0.7414 0.2546 0.2546 0.2822 0.2822 4.0150 4.0150 4.4182 4.4182 5.7712 5.7712 9.8126 9.8126 10.0002 10.0002 10.5740 10.5740 12.6184 12.6184 k = 0.3884 0.4159 0.8515 ( 2160 PWs) bands (ev): -17.3237 -17.3237 -12.0663 -12.0663 -9.9591 -9.9591 -8.0572 -8.0572 -7.9860 -7.9860 -7.8666 -7.8666 -1.2235 -1.2235 -0.7430 -0.7430 0.2548 0.2548 0.2830 0.2830 3.9820 3.9820 4.4253 4.4253 5.8327 5.8327 9.8126 9.8126 10.0000 10.0000 10.5139 10.5139 12.6300 12.6300 k = 0.3785 0.4052 0.8515 ( 2168 PWs) bands (ev): -17.3238 -17.3238 -12.0663 -12.0663 -9.9592 -9.9592 -8.0579 -8.0579 -7.9855 -7.9855 -7.8661 -7.8661 -1.2251 -1.2251 -0.7448 -0.7448 0.2551 0.2551 0.2837 0.2837 3.9502 3.9502 4.4330 4.4330 5.8937 5.8937 9.8126 9.8126 9.9999 9.9999 10.4541 10.4541 12.6427 12.6427 k = 0.3685 0.3945 0.8515 ( 2176 PWs) bands (ev): -17.3239 -17.3239 -12.0664 -12.0664 -9.9593 -9.9593 -8.0585 -8.0585 -7.9848 -7.9848 -7.8655 -7.8655 -1.2267 -1.2267 -0.7467 -0.7467 0.2554 0.2554 0.2846 0.2846 3.9198 3.9198 4.4411 4.4411 5.9533 5.9533 9.8126 9.8126 10.0000 10.0000 10.3959 10.3959 12.6567 12.6567 k = 0.3585 0.3839 0.8515 ( 2172 PWs) bands (ev): -17.3240 -17.3240 -12.0664 -12.0664 -9.9595 -9.9595 -8.0592 -8.0592 -7.9841 -7.9841 -7.8648 -7.8648 -1.2282 -1.2282 -0.7485 -0.7485 0.2558 0.2558 0.2855 0.2855 3.8910 3.8910 4.4497 4.4497 6.0105 6.0105 9.8127 9.8127 10.0004 10.0004 10.3403 10.3403 12.6720 12.6720 k = 0.3486 0.3732 0.8515 ( 2172 PWs) bands (ev): -17.3241 -17.3241 -12.0664 -12.0664 -9.9596 -9.9596 -8.0599 -8.0599 -7.9835 -7.9835 -7.8642 -7.8642 -1.2298 -1.2298 -0.7503 -0.7503 0.2563 0.2563 0.2864 0.2864 3.8641 3.8641 4.4586 4.4586 6.0645 6.0645 9.8130 9.8130 10.0011 10.0011 10.2883 10.2883 12.6887 12.6887 k = 0.3386 0.3625 0.8515 ( 2176 PWs) bands (ev): -17.3242 -17.3242 -12.0665 -12.0665 -9.9598 -9.9598 -8.0606 -8.0606 -7.9829 -7.9829 -7.8636 -7.8636 -1.2314 -1.2314 -0.7521 -0.7521 0.2568 0.2568 0.2875 0.2875 3.8392 3.8392 4.4679 4.4679 6.1144 6.1144 9.8133 9.8133 10.0020 10.0020 10.2409 10.2409 12.7069 12.7069 k = 0.3287 0.3519 0.8515 ( 2178 PWs) bands (ev): -17.3243 -17.3243 -12.0665 -12.0665 -9.9600 -9.9600 -8.0613 -8.0613 -7.9823 -7.9823 -7.8629 -7.8629 -1.2329 -1.2329 -0.7539 -0.7539 0.2573 0.2573 0.2886 0.2886 3.8165 3.8165 4.4775 4.4775 6.1593 6.1593 9.8138 9.8138 10.0033 10.0033 10.1991 10.1991 12.7268 12.7268 k = 0.3187 0.3412 0.8515 ( 2174 PWs) bands (ev): -17.3244 -17.3244 -12.0664 -12.0664 -9.9603 -9.9603 -8.0620 -8.0620 -7.9817 -7.9817 -7.8623 -7.8623 -1.2343 -1.2343 -0.7555 -0.7555 0.2580 0.2580 0.2897 0.2897 3.7961 3.7961 4.4873 4.4873 6.1983 6.1983 9.8145 9.8145 10.0049 10.0049 10.1639 10.1639 12.7483 12.7483 k = 0.3087 0.3306 0.8515 ( 2174 PWs) bands (ev): -17.3245 -17.3245 -12.0664 -12.0664 -9.9605 -9.9605 -8.0626 -8.0626 -7.9811 -7.9811 -7.8617 -7.8617 -1.2357 -1.2357 -0.7572 -0.7572 0.2587 0.2587 0.2909 0.2909 3.7781 3.7781 4.4973 4.4973 6.2306 6.2306 9.8154 9.8154 10.0068 10.0068 10.1360 10.1360 12.7716 12.7716 k = 0.2988 0.3199 0.8515 ( 2174 PWs) bands (ev): -17.3246 -17.3246 -12.0664 -12.0664 -9.9608 -9.9608 -8.0632 -8.0632 -7.9805 -7.9805 -7.8611 -7.8611 -1.2371 -1.2371 -0.7588 -0.7588 0.2595 0.2595 0.2922 0.2922 3.7625 3.7625 4.5075 4.5075 6.2557 6.2557 9.8165 9.8165 10.0090 10.0090 10.1163 10.1163 12.7967 12.7967 k = 0.2888 0.3092 0.8515 ( 2178 PWs) bands (ev): -17.3248 -17.3248 -12.0665 -12.0665 -9.9611 -9.9611 -8.0638 -8.0638 -7.9799 -7.9799 -7.8605 -7.8605 -1.2384 -1.2384 -0.7604 -0.7604 0.2604 0.2604 0.2934 0.2934 3.7494 3.7494 4.5177 4.5177 6.2727 6.2727 9.8179 9.8179 10.0117 10.0117 10.1052 10.1052 12.8237 12.8237 k = 0.2789 0.2986 0.8515 ( 2174 PWs) bands (ev): -17.3249 -17.3249 -12.0665 -12.0665 -9.9614 -9.9614 -8.0643 -8.0643 -7.9793 -7.9793 -7.8599 -7.8599 -1.2395 -1.2395 -0.7617 -0.7617 0.2613 0.2613 0.2948 0.2948 3.7389 3.7389 4.5281 4.5281 6.2814 6.2814 9.8196 9.8196 10.0148 10.0148 10.1031 10.1031 12.8528 12.8528 k = 0.2689 0.2879 0.8515 ( 2182 PWs) bands (ev): -17.3250 -17.3250 -12.0666 -12.0666 -9.9618 -9.9618 -8.0649 -8.0649 -7.9789 -7.9789 -7.8593 -7.8593 -1.2406 -1.2406 -0.7631 -0.7631 0.2623 0.2623 0.2961 0.2961 3.7310 3.7310 4.5384 4.5384 6.2815 6.2815 9.8217 9.8217 10.0183 10.0183 10.1101 10.1101 12.8839 12.8839 k = 0.2589 0.2772 0.8515 ( 2186 PWs) bands (ev): -17.3251 -17.3251 -12.0666 -12.0666 -9.9622 -9.9622 -8.0653 -8.0653 -7.9784 -7.9784 -7.8588 -7.8588 -1.2416 -1.2416 -0.7643 -0.7643 0.2634 0.2634 0.2975 0.2975 3.7258 3.7258 4.5487 4.5487 6.2728 6.2728 9.8243 9.8243 10.0223 10.0223 10.1263 10.1263 12.9171 12.9171 k = 0.2490 0.2666 0.8515 ( 2186 PWs) bands (ev): -17.3252 -17.3252 -12.0666 -12.0666 -9.9625 -9.9625 -8.0658 -8.0658 -7.9779 -7.9779 -7.8583 -7.8583 -1.2424 -1.2424 -0.7654 -0.7654 0.2646 0.2646 0.2989 0.2989 3.7233 3.7233 4.5589 4.5589 6.2555 6.2555 9.8273 9.8273 10.0265 10.0265 10.1516 10.1516 12.9525 12.9525 k = 0.2390 0.2559 0.8515 ( 2182 PWs) bands (ev): -17.3253 -17.3253 -12.0666 -12.0666 -9.9630 -9.9630 -8.0662 -8.0662 -7.9775 -7.9775 -7.8578 -7.8578 -1.2431 -1.2431 -0.7662 -0.7662 0.2658 0.2658 0.3003 0.3003 3.7235 3.7235 4.5691 4.5691 6.2298 6.2298 9.8308 9.8308 10.0310 10.0310 10.1855 10.1855 12.9900 12.9900 k = 0.2291 0.2453 0.8515 ( 2186 PWs) bands (ev): -17.3254 -17.3254 -12.0667 -12.0667 -9.9634 -9.9634 -8.0665 -8.0665 -7.9771 -7.9771 -7.8574 -7.8574 -1.2437 -1.2437 -0.7670 -0.7670 0.2671 0.2671 0.3018 0.3018 3.7265 3.7265 4.5790 4.5790 6.1963 6.1963 9.8349 9.8349 10.0357 10.0357 10.2276 10.2276 13.0298 13.0298 k = 0.2191 0.2346 0.8515 ( 2190 PWs) bands (ev): -17.3255 -17.3255 -12.0667 -12.0667 -9.9638 -9.9638 -8.0668 -8.0668 -7.9768 -7.9768 -7.8570 -7.8570 -1.2442 -1.2442 -0.7677 -0.7677 0.2684 0.2684 0.3032 0.3032 3.7322 3.7322 4.5888 4.5888 6.1553 6.1553 9.8393 9.8393 10.0405 10.0405 10.2771 10.2771 13.0718 13.0718 k = 0.2091 0.2239 0.8515 ( 2194 PWs) bands (ev): -17.3256 -17.3256 -12.0668 -12.0668 -9.9643 -9.9643 -8.0671 -8.0671 -7.9765 -7.9765 -7.8567 -7.8567 -1.2446 -1.2446 -0.7681 -0.7681 0.2698 0.2698 0.3046 0.3046 3.7408 3.7408 4.5983 4.5983 6.1076 6.1076 9.8443 9.8443 10.0455 10.0455 10.3332 10.3332 13.1159 13.1159 k = 0.1992 0.2133 0.8515 ( 2202 PWs) bands (ev): -17.3257 -17.3257 -12.0669 -12.0669 -9.9648 -9.9648 -8.0674 -8.0674 -7.9762 -7.9762 -7.8564 -7.8564 -1.2449 -1.2449 -0.7685 -0.7685 0.2712 0.2712 0.3060 0.3060 3.7522 3.7522 4.6076 4.6076 6.0538 6.0538 9.8496 9.8496 10.0507 10.0507 10.3950 10.3950 13.1622 13.1622 k = 0.1892 0.2026 0.8515 ( 2194 PWs) bands (ev): -17.3258 -17.3258 -12.0669 -12.0669 -9.9652 -9.9652 -8.0676 -8.0676 -7.9759 -7.9759 -7.8561 -7.8561 -1.2450 -1.2450 -0.7686 -0.7686 0.2727 0.2727 0.3075 0.3075 3.7664 3.7664 4.6165 4.6165 5.9947 5.9947 9.8554 9.8554 10.0561 10.0561 10.4616 10.4616 13.2103 13.2103 k = 0.1793 0.1919 0.8515 ( 2190 PWs) bands (ev): -17.3259 -17.3259 -12.0668 -12.0668 -9.9657 -9.9657 -8.0677 -8.0677 -7.9757 -7.9757 -7.8558 -7.8558 -1.2450 -1.2450 -0.7687 -0.7687 0.2742 0.2742 0.3089 0.3089 3.7835 3.7835 4.6252 4.6252 5.9309 5.9309 9.8614 9.8614 10.0617 10.0617 10.5320 10.5320 13.2597 13.2597 k = 0.1693 0.1813 0.8515 ( 2194 PWs) bands (ev): -17.3260 -17.3260 -12.0670 -12.0670 -9.9662 -9.9662 -8.0679 -8.0679 -7.9755 -7.9755 -7.8556 -7.8556 -1.2449 -1.2449 -0.7686 -0.7686 0.2757 0.2757 0.3102 0.3102 3.8035 3.8035 4.6335 4.6335 5.8632 5.8632 9.8676 9.8676 10.0673 10.0673 10.6052 10.6052 13.3065 13.3065 k = 0.1594 0.1706 0.8515 ( 2198 PWs) bands (ev): -17.3261 -17.3261 -12.0671 -12.0671 -9.9667 -9.9667 -8.0680 -8.0680 -7.9753 -7.9753 -7.8554 -7.8554 -1.2449 -1.2449 -0.7684 -0.7684 0.2772 0.2772 0.3115 0.3115 3.8263 3.8263 4.6414 4.6414 5.7921 5.7921 9.8741 9.8741 10.0730 10.0730 10.6803 10.6803 13.3029 13.3029 k = 0.1494 0.1599 0.8515 ( 2200 PWs) bands (ev): -17.3262 -17.3262 -12.0671 -12.0671 -9.9672 -9.9672 -8.0680 -8.0680 -7.9752 -7.9752 -7.8552 -7.8552 -1.2447 -1.2447 -0.7681 -0.7681 0.2787 0.2787 0.3128 0.3128 3.8520 3.8520 4.6489 4.6489 5.7183 5.7183 9.8806 9.8806 10.0788 10.0788 10.7564 10.7564 13.2469 13.2469 k = 0.1394 0.1493 0.8515 ( 2196 PWs) bands (ev): -17.3262 -17.3262 -12.0671 -12.0671 -9.9676 -9.9676 -8.0681 -8.0681 -7.9751 -7.9751 -7.8550 -7.8550 -1.2444 -1.2444 -0.7678 -0.7678 0.2802 0.2802 0.3141 0.3141 3.8806 3.8806 4.6560 4.6560 5.6423 5.6423 9.8872 9.8872 10.0847 10.0847 10.8325 10.8325 13.1888 13.1888 k = 0.1295 0.1386 0.8515 ( 2196 PWs) bands (ev): -17.3263 -17.3263 -12.0671 -12.0671 -9.9681 -9.9681 -8.0681 -8.0681 -7.9750 -7.9750 -7.8549 -7.8549 -1.2441 -1.2441 -0.7673 -0.7673 0.2816 0.2816 0.3153 0.3153 3.9120 3.9120 4.6627 4.6627 5.5648 5.5648 9.8938 9.8938 10.0905 10.0905 10.9077 10.9077 13.1330 13.1330 k = 0.1195 0.1280 0.8515 ( 2196 PWs) bands (ev): -17.3264 -17.3264 -12.0671 -12.0671 -9.9685 -9.9685 -8.0681 -8.0681 -7.9749 -7.9749 -7.8548 -7.8548 -1.2438 -1.2438 -0.7668 -0.7668 0.2830 0.2830 0.3164 0.3164 3.9463 3.9463 4.6689 4.6689 5.4860 5.4860 9.9002 9.9002 10.0962 10.0962 10.9812 10.9812 13.0803 13.0803 k = 0.1096 0.1173 0.8515 ( 2194 PWs) bands (ev): -17.3264 -17.3264 -12.0672 -12.0672 -9.9689 -9.9689 -8.0681 -8.0681 -7.9749 -7.9749 -7.8547 -7.8547 -1.2435 -1.2435 -0.7662 -0.7662 0.2843 0.2843 0.3175 0.3175 3.9834 3.9834 4.6747 4.6747 5.4066 5.4066 9.9065 9.9065 10.1019 10.1019 11.0521 11.0521 13.0309 13.0309 k = 0.0996 0.1066 0.8515 ( 2194 PWs) bands (ev): -17.3265 -17.3265 -12.0672 -12.0672 -9.9693 -9.9693 -8.0681 -8.0681 -7.9749 -7.9749 -7.8546 -7.8546 -1.2431 -1.2431 -0.7657 -0.7657 0.2856 0.2856 0.3185 0.3185 4.0233 4.0233 4.6800 4.6800 5.3269 5.3269 9.9124 9.9124 10.1074 10.1074 11.1197 11.1197 12.9851 12.9851 k = 0.0896 0.0960 0.8515 ( 2194 PWs) bands (ev): -17.3265 -17.3265 -12.0672 -12.0672 -9.9697 -9.9697 -8.0680 -8.0680 -7.9749 -7.9749 -7.8546 -7.8546 -1.2428 -1.2428 -0.7651 -0.7651 0.2868 0.2868 0.3194 0.3194 4.0661 4.0661 4.6848 4.6848 5.2472 5.2472 9.9181 9.9181 10.1127 10.1127 11.1832 11.1832 12.9431 12.9431 k = 0.0797 0.0853 0.8515 ( 2190 PWs) bands (ev): -17.3266 -17.3266 -12.0672 -12.0672 -9.9700 -9.9700 -8.0680 -8.0680 -7.9749 -7.9749 -7.8545 -7.8545 -1.2424 -1.2424 -0.7645 -0.7645 0.2878 0.2878 0.3202 0.3202 4.1116 4.1116 4.6891 4.6891 5.1679 5.1679 9.9233 9.9233 10.1177 10.1177 11.2420 11.2420 12.9050 12.9050 k = 0.0697 0.0746 0.8515 ( 2186 PWs) bands (ev): -17.3266 -17.3266 -12.0670 -12.0670 -9.9703 -9.9703 -8.0679 -8.0679 -7.9749 -7.9749 -7.8545 -7.8545 -1.2420 -1.2420 -0.7639 -0.7639 0.2888 0.2888 0.3210 0.3210 4.1598 4.1598 4.6929 4.6929 5.0893 5.0893 9.9280 9.9280 10.1223 10.1223 11.2955 11.2955 12.8709 12.8709 k = 0.0598 0.0640 0.8515 ( 2178 PWs) bands (ev): -17.3267 -17.3267 -12.0670 -12.0670 -9.9706 -9.9706 -8.0679 -8.0679 -7.9749 -7.9749 -7.8544 -7.8544 -1.2417 -1.2417 -0.7633 -0.7633 0.2897 0.2897 0.3217 0.3217 4.2106 4.2106 4.6962 4.6962 5.0117 5.0117 9.9323 9.9323 10.1265 10.1265 11.3430 11.3430 12.8411 12.8411 k = 0.0498 0.0533 0.8515 ( 2174 PWs) bands (ev): -17.3267 -17.3267 -12.0670 -12.0670 -9.9708 -9.9708 -8.0678 -8.0678 -7.9749 -7.9749 -7.8544 -7.8544 -1.2413 -1.2413 -0.7628 -0.7628 0.2904 0.2904 0.3222 0.3222 4.2640 4.2640 4.6991 4.6991 4.9354 4.9354 9.9359 9.9359 10.1302 10.1302 11.3841 11.3841 12.8156 12.8156 k = 0.0398 0.0427 0.8515 ( 2178 PWs) bands (ev): -17.3267 -17.3267 -12.0670 -12.0670 -9.9710 -9.9710 -8.0678 -8.0678 -7.9749 -7.9749 -7.8544 -7.8544 -1.2412 -1.2412 -0.7625 -0.7625 0.2910 0.2910 0.3227 0.3227 4.3198 4.3198 4.7013 4.7013 4.8606 4.8606 9.9389 9.9389 10.1333 10.1333 11.4183 11.4183 12.7946 12.7946 k = 0.0299 0.0320 0.8515 ( 2182 PWs) bands (ev): -17.3267 -17.3267 -12.0672 -12.0672 -9.9712 -9.9712 -8.0678 -8.0678 -7.9750 -7.9750 -7.8544 -7.8544 -1.2410 -1.2410 -0.7622 -0.7622 0.2915 0.2915 0.3231 0.3231 4.3777 4.3777 4.7031 4.7031 4.7878 4.7878 9.9413 9.9413 10.1358 10.1358 11.4452 11.4452 12.7781 12.7781 k = 0.0199 0.0213 0.8515 ( 2184 PWs) bands (ev): -17.3267 -17.3267 -12.0672 -12.0672 -9.9713 -9.9713 -8.0678 -8.0678 -7.9749 -7.9749 -7.8544 -7.8544 -1.2409 -1.2409 -0.7620 -0.7620 0.2918 0.2918 0.3233 0.3233 4.4372 4.4372 4.7035 4.7035 4.7186 4.7186 9.9431 9.9431 10.1377 10.1377 11.4647 11.4647 12.7663 12.7663 k = 0.0100 0.0107 0.8515 ( 2184 PWs) bands (ev): -17.3268 -17.3268 -12.0672 -12.0672 -9.9713 -9.9713 -8.0677 -8.0677 -7.9749 -7.9749 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2920 0.2920 0.3235 0.3235 4.4955 4.4955 4.6524 4.6524 4.7056 4.7056 9.9441 9.9441 10.1388 10.1388 11.4765 11.4765 12.7592 12.7592 k = 0.0000 0.0000 0.8515 ( 2184 PWs) bands (ev): -17.3268 -17.3268 -12.0672 -12.0672 -9.9714 -9.9714 -8.0677 -8.0677 -7.9749 -7.9749 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2921 0.2921 0.3235 0.3235 4.5322 4.5322 4.6136 4.6136 4.7058 4.7058 9.9444 9.9444 10.1392 10.1392 11.4804 11.4804 12.7568 12.7568 k = 0.0000 0.0000 0.8515 ( 2184 PWs) bands (ev): -17.3268 -17.3268 -12.0672 -12.0672 -9.9714 -9.9714 -8.0677 -8.0677 -7.9749 -7.9749 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2921 0.2921 0.3235 0.3235 4.5322 4.5322 4.6136 4.6136 4.7058 4.7058 9.9444 9.9444 10.1392 10.1392 11.4804 11.4804 12.7568 12.7568 k = 0.0000 0.0000 0.8368 ( 2184 PWs) bands (ev): -17.3274 -17.3274 -12.0765 -12.0765 -9.9696 -9.9696 -8.0573 -8.0573 -7.9716 -7.9716 -7.8524 -7.8524 -1.2410 -1.2410 -0.7620 -0.7620 0.2888 0.2888 0.3203 0.3203 4.5371 4.5371 4.6128 4.6128 4.7105 4.7105 9.9343 9.9343 10.1295 10.1295 11.4687 11.4687 12.7587 12.7587 k = 0.0000 0.0000 0.8221 ( 2188 PWs) bands (ev): -17.3293 -17.3293 -12.1047 -12.1047 -9.9643 -9.9643 -8.0287 -8.0287 -7.9591 -7.9591 -7.8466 -7.8466 -1.2416 -1.2416 -0.7627 -0.7627 0.2789 0.2789 0.3106 0.3106 4.5515 4.5515 4.6102 4.6102 4.7248 4.7248 9.9041 9.9041 10.1008 10.1008 11.4339 11.4339 12.7643 12.7643 k = 0.0000 0.0000 0.8074 ( 2186 PWs) bands (ev): -17.3325 -17.3325 -12.1503 -12.1503 -9.9555 -9.9555 -7.9936 -7.9936 -7.9268 -7.9268 -7.8368 -7.8368 -1.2426 -1.2426 -0.7638 -0.7638 0.2625 0.2625 0.2946 0.2946 4.5752 4.5752 4.6061 4.6061 4.7484 4.7484 9.8545 9.8545 10.0536 10.0536 11.3775 11.3775 12.7734 12.7734 k = 0.0000 0.0000 0.7928 ( 2184 PWs) bands (ev): -17.3369 -17.3369 -12.2120 -12.2120 -9.9432 -9.9432 -7.9675 -7.9675 -7.8609 -7.8609 -7.8230 -7.8230 -1.2440 -1.2440 -0.7652 -0.7652 0.2399 0.2399 0.2725 0.2725 4.5978 4.5978 4.6106 4.6106 4.7811 4.7811 9.7865 9.7865 9.9887 9.9887 11.3007 11.3007 12.7858 12.7858 k = 0.0000 0.0000 0.7781 ( 2184 PWs) bands (ev): -17.3426 -17.3426 -12.2881 -12.2881 -9.9273 -9.9273 -7.9455 -7.9455 -7.8057 -7.8057 -7.7674 -7.7674 -1.2458 -1.2458 -0.7671 -0.7671 0.2114 0.2114 0.2447 0.2447 4.5913 4.5913 4.6514 4.6514 4.8226 4.8226 9.7012 9.7012 9.9073 9.9073 11.2058 11.2058 12.8012 12.8012 k = 0.0000 0.0000 0.7634 ( 2184 PWs) bands (ev): -17.3494 -17.3494 -12.3765 -12.3765 -9.9081 -9.9081 -7.9224 -7.9224 -7.7841 -7.7841 -7.6548 -7.6548 -1.2479 -1.2479 -0.7695 -0.7695 0.1774 0.1774 0.2115 0.2115 4.5821 4.5821 4.7017 4.7017 4.8724 4.8724 9.6002 9.6002 9.8106 9.8106 11.0949 11.0949 12.8193 12.8193 k = 0.0000 0.0000 0.7487 ( 2184 PWs) bands (ev): -17.3574 -17.3574 -12.4753 -12.4753 -9.8854 -9.8854 -7.8963 -7.8963 -7.7587 -7.7587 -7.5260 -7.5260 -1.2505 -1.2505 -0.7722 -0.7722 0.1383 0.1383 0.1734 0.1734 4.5713 4.5713 4.7600 4.7600 4.9302 4.9302 9.4849 9.4849 9.6999 9.6999 10.9702 10.9702 12.8399 12.8399 k = 0.0000 0.0000 0.7340 ( 2180 PWs) bands (ev): -17.3666 -17.3666 -12.5826 -12.5826 -9.8593 -9.8593 -7.8669 -7.8669 -7.7293 -7.7293 -7.3836 -7.3836 -1.2534 -1.2534 -0.7753 -0.7753 0.0947 0.0947 0.1307 0.1307 4.5590 4.5590 4.8258 4.8258 4.9953 4.9953 9.3568 9.3568 9.5765 9.5765 10.8336 10.8336 12.8627 12.8627 k = 0.0000 0.0000 0.7193 ( 2176 PWs) bands (ev): -17.3768 -17.3768 -12.6968 -12.6968 -9.8300 -9.8300 -7.8338 -7.8338 -7.6961 -7.6961 -7.2295 -7.2295 -1.2566 -1.2566 -0.7788 -0.7788 0.0468 0.0468 0.0840 0.0840 4.5453 4.5453 4.8983 4.8983 5.0674 5.0674 9.2173 9.2173 9.4418 9.4418 10.6872 10.6872 12.8873 12.8873 k = 0.0000 0.0000 0.7047 ( 2176 PWs) bands (ev): -17.3881 -17.3881 -12.8166 -12.8166 -9.7974 -9.7974 -7.7971 -7.7971 -7.6591 -7.6591 -7.0654 -7.0654 -1.2603 -1.2603 -0.7827 -0.7827 -0.0046 -0.0046 0.0338 0.0338 4.5304 4.5304 4.9771 4.9771 5.1458 5.1458 9.0677 9.0677 9.2968 9.2968 10.5325 10.5325 12.9136 12.9136 k = 0.0000 0.0000 0.6900 ( 2178 PWs) bands (ev): -17.4004 -17.4004 -12.9405 -12.9405 -9.7617 -9.7617 -7.7568 -7.7568 -7.6183 -7.6183 -6.8927 -6.8927 -1.2642 -1.2642 -0.7870 -0.7870 -0.0593 -0.0593 -0.0196 -0.0196 4.5143 4.5143 5.0614 5.0614 5.2300 5.2300 8.9092 8.9092 9.1428 9.1428 10.3711 10.3711 12.9413 12.9413 k = 0.0000 0.0000 0.6753 ( 2182 PWs) bands (ev): -17.4136 -17.4136 -13.0676 -13.0676 -9.7229 -9.7229 -7.7128 -7.7128 -7.5736 -7.5736 -6.7125 -6.7125 -1.2685 -1.2685 -0.7916 -0.7916 -0.1166 -0.1166 -0.0757 -0.0757 4.4972 4.4972 5.1507 5.1507 5.3194 5.3194 8.7430 8.7430 8.9808 8.9808 10.2041 10.2041 12.9699 12.9699 k = 0.0000 0.0000 0.6606 ( 2186 PWs) bands (ev): -17.4276 -17.4276 -13.1968 -13.1968 -9.6811 -9.6811 -7.6651 -7.6651 -7.5251 -7.5251 -6.5260 -6.5260 -1.2731 -1.2731 -0.7966 -0.7966 -0.1763 -0.1763 -0.1341 -0.1341 4.4792 4.4792 5.2444 5.2444 5.4136 5.4136 8.5702 8.5702 8.8120 8.8120 10.0328 10.0328 12.9992 12.9992 k = 0.0000 0.0000 0.6459 ( 2184 PWs) bands (ev): -17.4425 -17.4425 -13.3273 -13.3273 -9.6364 -9.6364 -7.6136 -7.6136 -7.4728 -7.4728 -6.3340 -6.3340 -1.2780 -1.2780 -0.8018 -0.8018 -0.2379 -0.2379 -0.1943 -0.1943 4.4605 4.4605 5.3417 5.3417 5.5119 5.5119 8.3918 8.3918 8.6371 8.6371 9.8581 9.8581 13.0288 13.0288 k = 0.0000 0.0000 0.6313 ( 2180 PWs) bands (ev): -17.4582 -17.4582 -13.4585 -13.4585 -9.5890 -9.5890 -7.5584 -7.5584 -7.4167 -7.4167 -6.1374 -6.1374 -1.2832 -1.2832 -0.8074 -0.8074 -0.3010 -0.3010 -0.2561 -0.2561 4.4411 4.4411 5.4419 5.4419 5.6136 5.6136 8.2088 8.2088 8.4573 8.4573 9.6809 9.6809 13.0583 13.0583 k = 0.0000 0.0000 0.6166 ( 2184 PWs) bands (ev): -17.4745 -17.4745 -13.5900 -13.5900 -9.5389 -9.5389 -7.4995 -7.4995 -7.3569 -7.3569 -5.9369 -5.9369 -1.2886 -1.2886 -0.8132 -0.8132 -0.3652 -0.3652 -0.3190 -0.3190 4.4212 4.4212 5.5440 5.5440 5.7182 5.7182 8.0222 8.0222 8.2734 8.2734 9.5019 9.5019 13.0873 13.0873 k = 0.0000 0.0000 0.6019 ( 2178 PWs) bands (ev): -17.4915 -17.4915 -13.7210 -13.7210 -9.4862 -9.4862 -7.4370 -7.4370 -7.2933 -7.2933 -5.7332 -5.7332 -1.2943 -1.2943 -0.8193 -0.8193 -0.4303 -0.4303 -0.3828 -0.3828 4.4009 4.4009 5.6471 5.6471 5.8247 5.8247 7.8332 7.8332 8.0866 8.0866 9.3220 9.3220 13.1154 13.1154 k = 0.0000 0.0000 0.5872 ( 2181 PWs) bands (ev): -17.5090 -17.5090 -13.8513 -13.8513 -9.4311 -9.4311 -7.3709 -7.3709 -7.2261 -7.2261 -5.5268 -5.5268 -1.3002 -1.3002 -0.8257 -0.8257 -0.4960 -0.4960 -0.4472 -0.4472 4.3804 4.3804 5.7496 5.7496 5.9319 5.9319 7.6433 7.6433 7.8982 7.8982 9.1414 9.1414 13.1422 13.1422 k = 0.0000 0.0000 0.5725 ( 2187 PWs) bands (ev): -17.5270 -17.5270 -13.9805 -13.9805 -9.3737 -9.3737 -7.3012 -7.3012 -7.1552 -7.1552 -5.3183 -5.3183 -1.3064 -1.3064 -0.8323 -0.8323 -0.5620 -0.5620 -0.5119 -0.5119 4.3599 4.3599 5.8493 5.8493 6.0383 6.0383 7.4548 7.4548 7.7101 7.7101 8.9611 8.9611 13.1672 13.1672 k = 0.0000 0.0000 0.5579 ( 2187 PWs) bands (ev): -17.5455 -17.5455 -14.1082 -14.1082 -9.3141 -9.3141 -7.2279 -7.2279 -7.0806 -7.0806 -5.1082 -5.1082 -1.3127 -1.3127 -0.8391 -0.8391 -0.6281 -0.6281 -0.5767 -0.5767 4.3394 4.3394 5.9424 5.9424 6.1405 6.1405 7.2718 7.2718 7.5255 7.5255 8.7813 8.7813 13.1901 13.1901 k = 0.0000 0.0000 0.5432 ( 2195 PWs) bands (ev): -17.5643 -17.5643 -14.2344 -14.2344 -9.2525 -9.2525 -7.1511 -7.1511 -7.0025 -7.0025 -4.8970 -4.8970 -1.3192 -1.3192 -0.8461 -0.8461 -0.6940 -0.6940 -0.6414 -0.6414 4.3191 4.3191 6.0223 6.0223 6.2323 6.2323 7.1020 7.1020 7.3495 7.3495 8.6025 8.6025 13.2104 13.2104 k = 0.0000 0.0000 0.5285 ( 2199 PWs) bands (ev): -17.5834 -17.5834 -14.3585 -14.3585 -9.1890 -9.1890 -7.0708 -7.0708 -6.9208 -6.9208 -4.6852 -4.6852 -1.3259 -1.3259 -0.8533 -0.8533 -0.7595 -0.7595 -0.7058 -0.7058 4.2991 4.2991 6.0766 6.0766 6.2989 6.2989 6.9628 6.9628 7.1920 7.1920 8.4254 8.4254 13.1998 13.1998 k = 0.0000 0.0000 0.5138 ( 2199 PWs) bands (ev): -17.6028 -17.6028 -14.4805 -14.4805 -9.1237 -9.1237 -6.9870 -6.9870 -6.8356 -6.8356 -4.4733 -4.4733 -1.3328 -1.3328 -0.8606 -0.8606 -0.8245 -0.8245 -0.7697 -0.7697 4.2796 4.2796 6.0840 6.0840 6.3125 6.3125 6.8855 6.8855 7.0711 7.0711 8.2502 8.2502 13.1097 13.1097 k = 0.0000 0.0000 0.4991 ( 2197 PWs) bands (ev): -17.6223 -17.6223 -14.6001 -14.6001 -9.0567 -9.0567 -6.8997 -6.8997 -6.7468 -6.7468 -4.2617 -4.2617 -1.3397 -1.3397 -0.8889 -0.8889 -0.8680 -0.8680 -0.8329 -0.8329 4.2605 4.2605 6.0232 6.0232 6.2510 6.2510 6.8909 6.8909 7.0091 7.0091 8.0773 8.0773 13.0222 13.0222 k = 0.0000 0.0000 0.4845 ( 2201 PWs) bands (ev): -17.6419 -17.6419 -14.7173 -14.7173 -8.9883 -8.9883 -6.8091 -6.8091 -6.6546 -6.6546 -4.0510 -4.0510 -1.3468 -1.3468 -0.9524 -0.9524 -0.8953 -0.8953 -0.8755 -0.8755 4.2421 4.2421 5.8976 5.8976 6.1273 6.1273 6.9544 6.9544 7.0145 7.0145 7.9072 7.9072 12.9373 12.9373 k = 0.0000 0.0000 0.4698 ( 2201 PWs) bands (ev): -17.6616 -17.6616 -14.8319 -14.8319 -8.9186 -8.9186 -6.7151 -6.7151 -6.5590 -6.5590 -3.8415 -3.8415 -1.3540 -1.3540 -1.0150 -1.0150 -0.9568 -0.9568 -0.8831 -0.8831 4.2243 4.2243 5.7311 5.7311 5.9644 5.9644 7.0406 7.0406 7.0757 7.0757 7.7404 7.7404 12.8550 12.8550 k = 0.0000 0.0000 0.4551 ( 2201 PWs) bands (ev): -17.6813 -17.6813 -14.9437 -14.9437 -8.8478 -8.8478 -6.6178 -6.6178 -6.4600 -6.4600 -3.6337 -3.6337 -1.3613 -1.3613 -1.0764 -1.0764 -1.0172 -1.0172 -0.8908 -0.8908 4.2071 4.2071 5.5433 5.5433 5.7788 5.7788 7.1326 7.1326 7.1738 7.1738 7.5773 7.5773 12.7753 12.7753 k = 0.0000 0.0000 0.4404 ( 2205 PWs) bands (ev): -17.7009 -17.7009 -15.0528 -15.0528 -8.7759 -8.7759 -6.5174 -6.5174 -6.3578 -6.3578 -3.4283 -3.4283 -1.3687 -1.3687 -1.1367 -1.1367 -1.0765 -1.0765 -0.8985 -0.8985 4.1903 4.1903 5.3445 5.3445 5.5802 5.5802 7.2324 7.2324 7.2859 7.2859 7.4189 7.4189 12.6982 12.6982 k = 0.0000 0.0000 0.4257 ( 2205 PWs) bands (ev): -17.7204 -17.7204 -15.1589 -15.1589 -8.7033 -8.7033 -6.4137 -6.4137 -6.2524 -6.2524 -3.2256 -3.2256 -1.3762 -1.3762 -1.1955 -1.1955 -1.1344 -1.1344 -0.9063 -0.9063 4.1736 4.1736 5.1403 5.1403 5.3739 5.3739 7.2592 7.2592 7.3442 7.3442 7.4043 7.4043 12.6238 12.6238 k = 0.0000 0.0000 0.4111 ( 2197 PWs) bands (ev): -17.7397 -17.7397 -15.2619 -15.2619 -8.6300 -8.6300 -6.3070 -6.3070 -6.1438 -6.1438 -3.0262 -3.0262 -1.3840 -1.3840 -1.2528 -1.2528 -1.1910 -1.1910 -0.9139 -0.9139 4.1560 4.1560 4.9341 4.9341 5.1628 5.1628 7.1116 7.1116 7.4545 7.4545 7.5237 7.5237 12.5519 12.5519 k = 0.0000 0.0000 0.3964 ( 2189 PWs) bands (ev): -17.7588 -17.7588 -15.3617 -15.3617 -8.5562 -8.5562 -6.1971 -6.1971 -6.0320 -6.0320 -2.8305 -2.8305 -1.3926 -1.3926 -1.3080 -1.3080 -1.2459 -1.2459 -0.9215 -0.9215 4.1357 4.1357 4.7296 4.7296 4.9487 4.9487 6.9674 6.9674 7.5691 7.5691 7.6439 7.6439 12.4827 12.4827 k = 0.0000 0.0000 0.3817 ( 2185 PWs) bands (ev): -17.7776 -17.7776 -15.4585 -15.4585 -8.4822 -8.4822 -6.0844 -6.0844 -5.9173 -5.9173 -2.6392 -2.6392 -1.4040 -1.4040 -1.3591 -1.3591 -1.2991 -1.2991 -0.9291 -0.9291 4.1068 4.1068 4.5334 4.5334 4.7327 4.7327 6.8289 6.8289 7.6850 7.6850 7.7641 7.7641 12.4160 12.4160 k = 0.0000 0.0000 0.3670 ( 2181 PWs) bands (ev): -17.7961 -17.7961 -15.5520 -15.5520 -8.4081 -8.4081 -5.9688 -5.9688 -5.7998 -5.7998 -2.4528 -2.4528 -1.4305 -1.4305 -1.3948 -1.3948 -1.3494 -1.3494 -0.9367 -0.9367 4.0526 4.0526 4.3629 4.3629 4.5156 4.5156 6.6970 6.6970 7.8010 7.8010 7.8835 7.8835 12.3519 12.3519 k = 0.0000 0.0000 0.3523 ( 2181 PWs) bands (ev): -17.8142 -17.8142 -15.6423 -15.6423 -8.3341 -8.3341 -5.8505 -5.8505 -5.6795 -5.6795 -2.2718 -2.2718 -1.4761 -1.4761 -1.4175 -1.4175 -1.3904 -1.3904 -0.9441 -0.9441 3.9392 3.9392 4.2513 4.2513 4.2991 4.2991 6.5721 6.5721 7.9165 7.9165 8.0017 8.0017 12.2904 12.2904 k = 0.0000 0.0000 0.3377 ( 2181 PWs) bands (ev): -17.8319 -17.8319 -15.7291 -15.7291 -8.2605 -8.2605 -5.7297 -5.7297 -5.5565 -5.5565 -2.0969 -2.0969 -1.5247 -1.5247 -1.4573 -1.4573 -1.4078 -1.4078 -0.9514 -0.9514 3.7673 3.7673 4.0793 4.0793 4.2025 4.2025 6.4551 6.4551 8.0308 8.0308 8.1182 8.1182 12.2315 12.2315 k = 0.0000 0.0000 0.3230 ( 2181 PWs) bands (ev): -17.8492 -17.8492 -15.8126 -15.8126 -8.1874 -8.1874 -5.6063 -5.6063 -5.4310 -5.4310 -1.9284 -1.9284 -1.5725 -1.5725 -1.5028 -1.5028 -1.4168 -1.4168 -0.9586 -0.9586 3.5705 3.5705 3.8625 3.8625 4.1772 4.1772 6.3466 6.3466 8.1434 8.1434 8.2326 8.2326 12.1751 12.1751 k = 0.0000 0.0000 0.3083 ( 2177 PWs) bands (ev): -17.8659 -17.8659 -15.8925 -15.8925 -8.1151 -8.1151 -5.4806 -5.4806 -5.3031 -5.3031 -1.7669 -1.7669 -1.6190 -1.6190 -1.5476 -1.5476 -1.4240 -1.4240 -0.9655 -0.9655 3.3653 3.3653 3.6461 3.6461 4.1616 4.1616 6.2473 6.2473 8.2539 8.2539 8.3446 8.3446 12.1212 12.1212 k = 0.0000 0.0000 0.2936 ( 2169 PWs) bands (ev): -17.8821 -17.8821 -15.9689 -15.9689 -8.0438 -8.0438 -5.3526 -5.3526 -5.1729 -5.1729 -1.6644 -1.6644 -1.6125 -1.6125 -1.5910 -1.5910 -1.4305 -1.4305 -0.9723 -0.9723 3.1574 3.1574 3.4309 3.4309 4.1498 4.1498 6.1581 6.1581 8.3619 8.3619 8.4538 8.4538 12.0700 12.0700 k = 0.0000 0.0000 0.2789 ( 2169 PWs) bands (ev): -17.8978 -17.8978 -16.0419 -16.0419 -7.9737 -7.9737 -5.2227 -5.2227 -5.0408 -5.0408 -1.7076 -1.7076 -1.6327 -1.6327 -1.4668 -1.4668 -1.4364 -1.4364 -0.9789 -0.9789 2.9492 2.9492 3.2171 3.2171 4.1391 4.1391 6.0795 6.0795 8.4669 8.4669 8.5599 8.5599 12.0212 12.0212 k = 0.0000 0.0000 0.2643 ( 2165 PWs) bands (ev): -17.9128 -17.9128 -16.1113 -16.1113 -7.9051 -7.9051 -5.0910 -5.0910 -4.9068 -4.9068 -1.7493 -1.7493 -1.6727 -1.6727 -1.4425 -1.4425 -1.3286 -1.3286 -0.9853 -0.9853 2.7418 2.7418 3.0053 3.0053 4.1282 4.1282 6.0123 6.0123 8.5688 8.5688 8.6626 8.6626 11.9750 11.9750 k = 0.0000 0.0000 0.2496 ( 2169 PWs) bands (ev): -17.9272 -17.9272 -16.1771 -16.1771 -7.8382 -7.8382 -4.9578 -4.9578 -4.7713 -4.7713 -1.7893 -1.7893 -1.7109 -1.7109 -1.4478 -1.4478 -1.1995 -1.1995 -0.9914 -0.9914 2.5362 2.5362 2.7957 2.7957 4.1162 4.1162 5.9569 5.9569 8.6670 8.6670 8.7616 8.7616 11.9313 11.9313 k = 0.0000 0.0000 0.2349 ( 2173 PWs) bands (ev): -17.9410 -17.9410 -16.2392 -16.2392 -7.7733 -7.7733 -4.8233 -4.8233 -4.6346 -4.6346 -1.8277 -1.8277 -1.7472 -1.7472 -1.4527 -1.4527 -1.0793 -1.0793 -0.9971 -0.9971 2.3329 2.3329 2.5889 2.5889 4.1025 4.1025 5.9136 5.9136 8.7614 8.7614 8.8566 8.8566 11.8901 11.8901 k = 0.0000 0.0000 0.2202 ( 2169 PWs) bands (ev): -17.9540 -17.9540 -16.2978 -16.2978 -7.7106 -7.7106 -4.6878 -4.6878 -4.4968 -4.4968 -1.8645 -1.8645 -1.7816 -1.7816 -1.4573 -1.4573 -1.0040 -1.0040 -0.9666 -0.9666 2.1326 2.1326 2.3853 2.3853 4.0867 4.0867 5.8823 5.8823 8.8516 8.8516 8.9474 8.9474 11.8515 11.8515 k = 0.0000 0.0000 0.2055 ( 2173 PWs) bands (ev): -17.9664 -17.9664 -16.3526 -16.3526 -7.6504 -7.6504 -4.5519 -4.5519 -4.3586 -4.3586 -1.8998 -1.8998 -1.8142 -1.8142 -1.4614 -1.4614 -1.0087 -1.0087 -0.8648 -0.8648 1.9358 1.9358 2.1854 2.1854 4.0686 4.0686 5.8628 5.8628 8.9373 8.9373 9.0337 9.0337 11.8154 11.8154 k = 0.0000 0.0000 0.1908 ( 2177 PWs) bands (ev): -17.9780 -17.9780 -16.4038 -16.4038 -7.5929 -7.5929 -4.4159 -4.4159 -4.2204 -4.2204 -1.9335 -1.9335 -1.8449 -1.8449 -1.4652 -1.4652 -1.0138 -1.0138 -0.7715 -0.7715 1.7433 1.7433 1.9899 1.9899 4.0485 4.0485 5.8543 5.8543 9.0183 9.0183 9.1151 9.1151 11.7818 11.7818 k = 0.0000 0.0000 0.1762 ( 2183 PWs) bands (ev): -17.9888 -17.9888 -16.4513 -16.4513 -7.5383 -7.5383 -4.2804 -4.2804 -4.0828 -4.0828 -1.9658 -1.9658 -1.8738 -1.8738 -1.4684 -1.4684 -1.0185 -1.0185 -0.6870 -0.6870 1.5557 1.5557 1.7994 1.7994 4.0267 4.0267 5.8557 5.8557 9.0944 9.0944 9.1915 9.1915 11.7506 11.7506 k = 0.0000 0.0000 0.1615 ( 2187 PWs) bands (ev): -17.9988 -17.9988 -16.4950 -16.4950 -7.4870 -7.4870 -4.1461 -4.1461 -3.9463 -3.9463 -1.9968 -1.9968 -1.9009 -1.9009 -1.4712 -1.4712 -1.0229 -1.0229 -0.6111 -0.6111 1.3738 1.3738 1.6147 1.6147 4.0038 4.0038 5.8658 5.8658 9.1652 9.1652 9.2627 9.2627 11.7220 11.7220 k = 0.0000 0.0000 0.1468 ( 2187 PWs) bands (ev): -18.0081 -18.0081 -16.5349 -16.5349 -7.4392 -7.4392 -4.0137 -4.0137 -3.8119 -3.8119 -2.0266 -2.0266 -1.9262 -1.9262 -1.4733 -1.4733 -1.0270 -1.0270 -0.5436 -0.5436 1.1987 1.1987 1.4370 1.4370 3.9802 3.9802 5.8831 5.8831 9.2307 9.2307 9.3284 9.3284 11.6959 11.6959 k = 0.0000 0.0000 0.1321 ( 2191 PWs) bands (ev): -18.0165 -18.0165 -16.5711 -16.5711 -7.3951 -7.3951 -3.8843 -3.8843 -3.6806 -3.6806 -2.0553 -2.0553 -1.9498 -1.9498 -1.4749 -1.4749 -1.0307 -1.0307 -0.4843 -0.4843 1.0314 1.0314 1.2672 1.2672 3.9566 3.9566 5.9057 5.9057 9.2905 9.2905 9.3884 9.3884 11.6723 11.6723 k = 0.0000 0.0000 0.1174 ( 2191 PWs) bands (ev): -18.0240 -18.0240 -16.6035 -16.6035 -7.3550 -7.3550 -3.7590 -3.7590 -3.5536 -3.5536 -2.0831 -2.0831 -1.9716 -1.9716 -1.4760 -1.4760 -1.0340 -1.0340 -0.4326 -0.4326 0.8732 0.8732 1.1068 1.1068 3.9338 3.9338 5.9321 5.9321 9.3445 9.3445 9.4426 9.4426 11.6512 11.6512 k = 0.0000 0.0000 0.1028 ( 2191 PWs) bands (ev): -18.0307 -18.0307 -16.6321 -16.6321 -7.3190 -7.3190 -3.6392 -3.6392 -3.4323 -3.4323 -2.1100 -2.1100 -1.9918 -1.9918 -1.4764 -1.4764 -1.0370 -1.0370 -0.3881 -0.3881 0.7258 0.7258 0.9573 0.9573 3.9123 3.9123 5.9604 5.9604 9.3925 9.3925 9.4909 9.4909 11.6326 11.6326 k = 0.0000 0.0000 0.0881 ( 2189 PWs) bands (ev): -18.0366 -18.0366 -16.6569 -16.6569 -7.2874 -7.2874 -3.5269 -3.5269 -3.3186 -3.3186 -2.1361 -2.1361 -2.0103 -2.0103 -1.4762 -1.4762 -1.0396 -1.0396 -0.3506 -0.3506 0.5909 0.5909 0.8207 0.8207 3.8926 3.8926 5.9889 5.9889 9.4345 9.4345 9.5329 9.5329 11.6164 11.6164 k = 0.0000 0.0000 0.0734 ( 2189 PWs) bands (ev): -18.0415 -18.0415 -16.6779 -16.6779 -7.2603 -7.2603 -3.4240 -3.4240 -3.2146 -3.2146 -2.1611 -2.1611 -2.0270 -2.0270 -1.4756 -1.4756 -1.0418 -1.0418 -0.3195 -0.3195 0.4706 0.4706 0.6992 0.6992 3.8752 3.8752 6.0161 6.0161 9.4702 9.4702 9.5687 9.5687 11.6028 11.6028 k = 0.0000 0.0000 0.0587 ( 2185 PWs) bands (ev): -18.0456 -18.0456 -16.6951 -16.6951 -7.2379 -7.2379 -3.3333 -3.3333 -3.1228 -3.1228 -2.1847 -2.1847 -2.0418 -2.0418 -1.4745 -1.4745 -1.0436 -1.0436 -0.2946 -0.2946 0.3672 0.3672 0.5949 0.5949 3.8605 3.8605 6.0405 6.0405 9.4996 9.4996 9.5982 9.5982 11.5916 11.5916 k = 0.0000 0.0000 0.0440 ( 2183 PWs) bands (ev): -18.0488 -18.0488 -16.7085 -16.7085 -7.2203 -7.2203 -3.2576 -3.2576 -3.0462 -3.0462 -2.2059 -2.2059 -2.0542 -2.0542 -1.4734 -1.4734 -1.0450 -1.0450 -0.2755 -0.2755 0.2832 0.2832 0.5104 0.5104 3.8488 3.8488 6.0609 6.0609 9.5225 9.5225 9.6212 9.6212 11.5829 11.5829 k = 0.0000 0.0000 0.0294 ( 2189 PWs) bands (ev): -18.0511 -18.0511 -16.7181 -16.7181 -7.2077 -7.2077 -3.2004 -3.2004 -2.9881 -2.9881 -2.2233 -2.2233 -2.0637 -2.0637 -1.4723 -1.4723 -1.0460 -1.0460 -0.2620 -0.2620 0.2210 0.2210 0.4480 0.4480 3.8402 3.8402 6.0761 6.0761 9.5389 9.5389 9.6376 9.6376 11.5767 11.5767 k = 0.0000 0.0000 0.0147 ( 2185 PWs) bands (ev): -18.0524 -18.0524 -16.7238 -16.7238 -7.2001 -7.2001 -3.1645 -3.1645 -2.9514 -2.9514 -2.2348 -2.2348 -2.0698 -2.0698 -1.4714 -1.4714 -1.0466 -1.0466 -0.2539 -0.2539 0.1826 0.1826 0.4097 0.4097 3.8351 3.8351 6.0856 6.0856 9.5488 9.5488 9.6475 9.6475 11.5730 11.5730 k = 0.0000 0.0000 0.0000 ( 2189 PWs) bands (ev): -18.0529 -18.0529 -16.7257 -16.7257 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2389 -2.2389 -2.0719 -2.0719 -1.4712 -1.4712 -1.0468 -1.0468 -0.2512 -0.2512 0.1697 0.1697 0.3967 0.3967 3.8333 3.8333 6.0888 6.0888 9.5521 9.5521 9.6508 9.6508 11.5718 11.5718 k = 0.0000 0.0000 0.0000 ( 2189 PWs) bands (ev): -18.0529 -18.0529 -16.7257 -16.7257 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2389 -2.2389 -2.0719 -2.0719 -1.4712 -1.4712 -1.0468 -1.0468 -0.2512 -0.2512 0.1697 0.1697 0.3967 0.3967 3.8333 3.8333 6.0888 6.0888 9.5521 9.5521 9.6508 9.6508 11.5718 11.5718 k =-0.0106 0.0099 0.0000 ( 2187 PWs) bands (ev): -18.0529 -18.0529 -16.7257 -16.7257 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2392 -2.2392 -2.0727 -2.0727 -1.4708 -1.4708 -1.0465 -1.0465 -0.2506 -0.2506 0.1700 0.1700 0.3967 0.3967 3.8329 3.8329 6.0888 6.0888 9.5512 9.5512 9.6513 9.6513 11.5730 11.5730 k =-0.0213 0.0199 0.0000 ( 2183 PWs) bands (ev): -18.0528 -18.0528 -16.7258 -16.7258 -7.1976 -7.1976 -3.1522 -3.1522 -2.9390 -2.9390 -2.2399 -2.2399 -2.0750 -2.0750 -1.4697 -1.4697 -1.0457 -1.0457 -0.2487 -0.2487 0.1708 0.1708 0.3966 0.3966 3.8315 3.8315 6.0889 6.0889 9.5484 9.5484 9.6528 9.6528 11.5768 11.5768 k =-0.0319 0.0298 0.0000 ( 2186 PWs) bands (ev): -18.0527 -18.0527 -16.7258 -16.7258 -7.1976 -7.1976 -3.1523 -3.1523 -2.9390 -2.9390 -2.2412 -2.2412 -2.0787 -2.0787 -1.4681 -1.4681 -1.0444 -1.0444 -0.2457 -0.2457 0.1721 0.1721 0.3964 0.3964 3.8292 3.8292 6.0889 6.0889 9.5437 9.5437 9.6551 9.6551 11.5831 11.5831 k =-0.0426 0.0397 0.0000 ( 2190 PWs) bands (ev): -18.0526 -18.0526 -16.7258 -16.7258 -7.1976 -7.1976 -3.1524 -3.1524 -2.9391 -2.9391 -2.2429 -2.2429 -2.0838 -2.0838 -1.4658 -1.4658 -1.0426 -1.0426 -0.2414 -0.2414 0.1740 0.1740 0.3962 0.3962 3.8260 3.8260 6.0889 6.0889 9.5373 9.5373 9.6583 9.6583 11.5917 11.5917 k =-0.0532 0.0497 0.0000 ( 2192 PWs) bands (ev): -18.0525 -18.0525 -16.7259 -16.7259 -7.1975 -7.1975 -3.1524 -3.1524 -2.9392 -2.9392 -2.2451 -2.2451 -2.0902 -2.0902 -1.4629 -1.4629 -1.0404 -1.0404 -0.2360 -0.2360 0.1764 0.1764 0.3959 0.3959 3.8220 3.8220 6.0890 6.0890 9.5292 9.5292 9.6623 9.6623 11.6027 11.6027 k =-0.0638 0.0596 0.0000 ( 2188 PWs) bands (ev): -18.0524 -18.0524 -16.7259 -16.7259 -7.1975 -7.1975 -3.1524 -3.1524 -2.9392 -2.9392 -2.2477 -2.2477 -2.0976 -2.0976 -1.4596 -1.4596 -1.0377 -1.0377 -0.2295 -0.2295 0.1794 0.1794 0.3956 0.3956 3.8171 3.8171 6.0891 6.0891 9.5195 9.5195 9.6669 9.6669 11.6158 11.6158 k =-0.0745 0.0696 0.0000 ( 2188 PWs) bands (ev): -18.0522 -18.0522 -16.7260 -16.7260 -7.1975 -7.1975 -3.1525 -3.1525 -2.9393 -2.9393 -2.2508 -2.2508 -2.1061 -2.1061 -1.4559 -1.4559 -1.0348 -1.0348 -0.2219 -0.2219 0.1830 0.1830 0.3952 0.3952 3.8115 3.8115 6.0891 6.0891 9.5082 9.5082 9.6720 9.6720 11.6310 11.6310 k =-0.0851 0.0795 0.0000 ( 2190 PWs) bands (ev): -18.0520 -18.0520 -16.7260 -16.7260 -7.1975 -7.1975 -3.1526 -3.1526 -2.9394 -2.9394 -2.2543 -2.2543 -2.1154 -2.1154 -1.4520 -1.4520 -1.0317 -1.0317 -0.2135 -0.2135 0.1871 0.1871 0.3948 0.3948 3.8051 3.8051 6.0892 6.0892 9.4955 9.4955 9.6774 9.6774 11.6436 11.6436 k =-0.0957 0.0894 0.0000 ( 2186 PWs) bands (ev): -18.0518 -18.0518 -16.7260 -16.7260 -7.1975 -7.1975 -3.1526 -3.1526 -2.9394 -2.9394 -2.2582 -2.2582 -2.1253 -2.1253 -1.4479 -1.4479 -1.0284 -1.0284 -0.2042 -0.2042 0.1919 0.1919 0.3943 0.3943 3.7981 3.7981 6.0894 6.0894 9.4816 9.4816 9.6828 9.6828 11.5945 11.5945 k =-0.1064 0.0994 0.0000 ( 2190 PWs) bands (ev): -18.0515 -18.0515 -16.7261 -16.7261 -7.1975 -7.1975 -3.1527 -3.1527 -2.9396 -2.9396 -2.2625 -2.2625 -2.1358 -2.1358 -1.4437 -1.4437 -1.0250 -1.0250 -0.1941 -0.1941 0.1973 0.1973 0.3938 0.3938 3.7905 3.7905 6.0895 6.0895 9.4665 9.4665 9.6878 9.6878 11.5399 11.5399 k =-0.1170 0.1093 0.0000 ( 2190 PWs) bands (ev): -18.0513 -18.0513 -16.7262 -16.7262 -7.1975 -7.1975 -3.1528 -3.1528 -2.9397 -2.9397 -2.2670 -2.2670 -2.1466 -2.1466 -1.4394 -1.4394 -1.0217 -1.0217 -0.1834 -0.1834 0.2033 0.2033 0.3933 0.3933 3.7824 3.7824 6.0896 6.0896 9.4505 9.4505 9.6922 9.6922 11.4850 11.4850 k =-0.1277 0.1192 0.0000 ( 2198 PWs) bands (ev): -18.0510 -18.0510 -16.7263 -16.7263 -7.1975 -7.1975 -3.1529 -3.1529 -2.9399 -2.9399 -2.2719 -2.2719 -2.1577 -2.1577 -1.4353 -1.4353 -1.0184 -1.0184 -0.1722 -0.1722 0.2099 0.2099 0.3928 0.3928 3.7738 3.7738 6.0897 6.0897 9.4335 9.4335 9.6956 9.6956 11.4310 11.4310 k =-0.1383 0.1292 0.0000 ( 2186 PWs) bands (ev): -18.0507 -18.0507 -16.7263 -16.7263 -7.1974 -7.1974 -3.1530 -3.1530 -2.9399 -2.9399 -2.2770 -2.2770 -2.1688 -2.1688 -1.4310 -1.4310 -1.0151 -1.0151 -0.1605 -0.1605 0.2171 0.2171 0.3922 0.3922 3.7649 3.7649 6.0899 6.0899 9.4159 9.4159 9.6975 9.6975 11.3790 11.3790 k =-0.1489 0.1391 0.0000 ( 2188 PWs) bands (ev): -18.0504 -18.0504 -16.7264 -16.7264 -7.1974 -7.1974 -3.1531 -3.1531 -2.9401 -2.9401 -2.2824 -2.2824 -2.1799 -2.1799 -1.4271 -1.4271 -1.0120 -1.0120 -0.1485 -0.1485 0.2249 0.2249 0.3916 0.3916 3.7557 3.7557 6.0900 6.0900 9.3977 9.3977 9.6975 9.6975 11.3299 11.3299 k =-0.1596 0.1490 0.0000 ( 2192 PWs) bands (ev): -18.0501 -18.0501 -16.7265 -16.7265 -7.1974 -7.1974 -3.1532 -3.1532 -2.9403 -2.9403 -2.2880 -2.2880 -2.1909 -2.1909 -1.4234 -1.4234 -1.0092 -1.0092 -0.1363 -0.1363 0.2332 0.2332 0.3910 0.3910 3.7463 3.7463 6.0902 6.0902 9.3791 9.3791 9.6951 9.6951 11.2849 11.2849 k =-0.1702 0.1590 0.0000 ( 2196 PWs) bands (ev): -18.0497 -18.0497 -16.7266 -16.7266 -7.1974 -7.1974 -3.1533 -3.1533 -2.9404 -2.9404 -2.2937 -2.2937 -2.2016 -2.2016 -1.4199 -1.4199 -1.0067 -1.0067 -0.1240 -0.1240 0.2420 0.2420 0.3905 0.3905 3.7369 3.7369 6.0904 6.0904 9.3601 9.3601 9.6897 9.6897 11.2448 11.2448 k =-0.1809 0.1689 0.0000 ( 2200 PWs) bands (ev): -18.0494 -18.0494 -16.7267 -16.7267 -7.1973 -7.1973 -3.1535 -3.1535 -2.9406 -2.9406 -2.2996 -2.2996 -2.2120 -2.2120 -1.4168 -1.4168 -1.0044 -1.0044 -0.1117 -0.1117 0.2513 0.2513 0.3899 0.3899 3.7274 3.7274 6.0905 6.0905 9.3408 9.3408 9.6811 9.6811 11.2103 11.2103 k =-0.1915 0.1789 0.0000 ( 2204 PWs) bands (ev): -18.0491 -18.0491 -16.7268 -16.7268 -7.1973 -7.1973 -3.1536 -3.1536 -2.9407 -2.9407 -2.3056 -2.3056 -2.2220 -2.2220 -1.4139 -1.4139 -1.0024 -1.0024 -0.0993 -0.0993 0.2608 0.2608 0.3894 0.3894 3.7180 3.7180 6.0907 6.0907 9.3215 9.3215 9.6687 9.6687 11.1822 11.1822 k =-0.2021 0.1888 0.0000 ( 2200 PWs) bands (ev): -18.0487 -18.0487 -16.7269 -16.7269 -7.1973 -7.1973 -3.1536 -3.1536 -2.9408 -2.9408 -2.3116 -2.3116 -2.2315 -2.2315 -1.4114 -1.4114 -1.0007 -1.0007 -0.0870 -0.0870 0.2707 0.2707 0.3888 0.3888 3.7088 3.7088 6.0909 6.0909 9.3021 9.3021 9.6526 9.6526 11.1610 11.1610 k =-0.2128 0.1987 0.0000 ( 2200 PWs) bands (ev): -18.0484 -18.0484 -16.7270 -16.7270 -7.1973 -7.1973 -3.1537 -3.1537 -2.9409 -2.9409 -2.3177 -2.3177 -2.2405 -2.2405 -1.4093 -1.4093 -0.9993 -0.9993 -0.0749 -0.0749 0.2806 0.2806 0.3884 0.3884 3.6999 3.6999 6.0911 6.0911 9.2829 9.2829 9.6324 9.6324 11.1470 11.1470 k =-0.2234 0.2087 0.0000 ( 2200 PWs) bands (ev): -18.0480 -18.0480 -16.7270 -16.7270 -7.1972 -7.1972 -3.1538 -3.1538 -2.9410 -2.9410 -2.3238 -2.3238 -2.2489 -2.2489 -1.4075 -1.4075 -0.9982 -0.9982 -0.0628 -0.0628 0.2906 0.2906 0.3879 0.3879 3.6913 3.6913 6.0913 6.0913 9.2638 9.2638 9.6084 9.6084 11.1402 11.1402 k =-0.2340 0.2186 0.0000 ( 2196 PWs) bands (ev): -18.0476 -18.0476 -16.7271 -16.7271 -7.1972 -7.1972 -3.1539 -3.1539 -2.9411 -2.9411 -2.3299 -2.3299 -2.2567 -2.2567 -1.4061 -1.4061 -0.9973 -0.9973 -0.0510 -0.0510 0.3005 0.3005 0.3876 0.3876 3.6831 3.6831 6.0915 6.0915 9.2449 9.2449 9.5808 9.5808 11.1407 11.1407 k =-0.2447 0.2285 0.0000 ( 2196 PWs) bands (ev): -18.0473 -18.0473 -16.7271 -16.7271 -7.1972 -7.1972 -3.1540 -3.1540 -2.9413 -2.9413 -2.3360 -2.3360 -2.2639 -2.2639 -1.4052 -1.4052 -0.9968 -0.9968 -0.0393 -0.0393 0.3102 0.3102 0.3873 0.3873 3.6755 3.6755 6.0917 6.0917 9.2263 9.2263 9.5498 9.5498 11.1481 11.1481 k =-0.2553 0.2385 0.0000 ( 2194 PWs) bands (ev): -18.0469 -18.0469 -16.7272 -16.7272 -7.1971 -7.1971 -3.1540 -3.1540 -2.9413 -2.9413 -2.3420 -2.3420 -2.2704 -2.2704 -1.4047 -1.4047 -0.9965 -0.9965 -0.0277 -0.0277 0.3194 0.3194 0.3870 0.3870 3.6683 3.6683 6.0920 6.0920 9.2082 9.2082 9.5160 9.5160 11.1621 11.1621 k =-0.2660 0.2484 0.0000 ( 2198 PWs) bands (ev): -18.0466 -18.0466 -16.7272 -16.7272 -7.1971 -7.1971 -3.1541 -3.1541 -2.9414 -2.9414 -2.3480 -2.3480 -2.2763 -2.2763 -1.4046 -1.4046 -0.9966 -0.9966 -0.0164 -0.0164 0.3282 0.3282 0.3869 0.3869 3.6618 3.6618 6.0922 6.0922 9.1904 9.1904 9.4799 9.4799 11.1823 11.1823 k =-0.2766 0.2583 0.0000 ( 2200 PWs) bands (ev): -18.0463 -18.0463 -16.7273 -16.7273 -7.1971 -7.1971 -3.1542 -3.1542 -2.9415 -2.9415 -2.3538 -2.3538 -2.2816 -2.2816 -1.4050 -1.4050 -0.9968 -0.9968 -0.0051 -0.0051 0.3364 0.3364 0.3869 0.3869 3.6559 3.6559 6.0924 6.0924 9.1732 9.1732 9.4421 9.4421 11.2081 11.2081 k =-0.2872 0.2683 0.0000 ( 2200 PWs) bands (ev): -18.0459 -18.0459 -16.7273 -16.7273 -7.1970 -7.1970 -3.1542 -3.1542 -2.9416 -2.9416 -2.3594 -2.3594 -2.2862 -2.2862 -1.4057 -1.4057 -0.9973 -0.9973 0.0060 0.0060 0.3438 0.3438 0.3870 0.3870 3.6507 3.6507 6.0926 6.0926 9.1565 9.1565 9.4031 9.4031 11.2390 11.2390 k =-0.2979 0.2782 0.0000 ( 2200 PWs) bands (ev): -18.0456 -18.0456 -16.7274 -16.7274 -7.1970 -7.1970 -3.1543 -3.1543 -2.9416 -2.9416 -2.3650 -2.3650 -2.2902 -2.2902 -1.4068 -1.4068 -0.9979 -0.9979 0.0170 0.0170 0.3504 0.3504 0.3873 0.3873 3.6461 3.6461 6.0928 6.0928 9.1404 9.1404 9.3634 9.3634 11.2745 11.2745 k =-0.3085 0.2882 0.0000 ( 2206 PWs) bands (ev): -18.0453 -18.0453 -16.7274 -16.7274 -7.1970 -7.1970 -3.1544 -3.1544 -2.9417 -2.9417 -2.3703 -2.3703 -2.2935 -2.2935 -1.4083 -1.4083 -0.9987 -0.9987 0.0278 0.0278 0.3561 0.3561 0.3877 0.3877 3.6422 3.6422 6.0930 6.0930 9.1249 9.1249 9.3235 9.3235 11.3139 11.3139 k =-0.3191 0.2981 0.0000 ( 2206 PWs) bands (ev): -18.0450 -18.0450 -16.7274 -16.7274 -7.1969 -7.1969 -3.1545 -3.1545 -2.9418 -2.9418 -2.3755 -2.3755 -2.2963 -2.2963 -1.4101 -1.4101 -0.9996 -0.9996 0.0386 0.0386 0.3608 0.3608 0.3884 0.3884 3.6390 3.6390 6.0932 6.0932 9.1101 9.1101 9.2839 9.2839 11.3569 11.3569 k =-0.3298 0.3080 0.0000 ( 2206 PWs) bands (ev): -18.0447 -18.0447 -16.7274 -16.7274 -7.1969 -7.1969 -3.1545 -3.1545 -2.9418 -2.9418 -2.3804 -2.3804 -2.2986 -2.2986 -1.4122 -1.4122 -1.0006 -1.0006 0.0493 0.0493 0.3645 0.3645 0.3891 0.3891 3.6364 3.6364 6.0934 6.0934 9.0960 9.0960 9.2449 9.2449 11.4028 11.4028 k =-0.3404 0.3180 0.0000 ( 2206 PWs) bands (ev): -18.0445 -18.0445 -16.7274 -16.7274 -7.1969 -7.1969 -3.1545 -3.1545 -2.9418 -2.9418 -2.3851 -2.3851 -2.3003 -2.3003 -1.4146 -1.4146 -1.0017 -1.0017 0.0598 0.0598 0.3673 0.3673 0.3899 0.3899 3.6344 3.6344 6.0936 6.0936 9.0826 9.0826 9.2069 9.2069 11.4511 11.4511 k =-0.3511 0.3279 0.0000 ( 2202 PWs) bands (ev): -18.0442 -18.0442 -16.7274 -16.7274 -7.1968 -7.1968 -3.1545 -3.1545 -2.9418 -2.9418 -2.3896 -2.3896 -2.3016 -2.3016 -1.4172 -1.4172 -1.0028 -1.0028 0.0702 0.0702 0.3693 0.3693 0.3907 0.3907 3.6330 3.6330 6.0938 6.0938 9.0700 9.0700 9.1703 9.1703 11.5015 11.5015 k =-0.3617 0.3378 0.0000 ( 2198 PWs) bands (ev): -18.0440 -18.0440 -16.7273 -16.7273 -7.1968 -7.1968 -3.1545 -3.1545 -2.9418 -2.9418 -2.3938 -2.3938 -2.3024 -2.3024 -1.4200 -1.4200 -1.0039 -1.0039 0.0804 0.0804 0.3707 0.3707 0.3912 0.3912 3.6321 3.6321 6.0940 6.0940 9.0581 9.0581 9.1352 9.1352 11.5532 11.5532 k =-0.3723 0.3478 0.0000 ( 2202 PWs) bands (ev): -18.0438 -18.0438 -16.7274 -16.7274 -7.1968 -7.1968 -3.1545 -3.1545 -2.9418 -2.9418 -2.3978 -2.3978 -2.3029 -2.3029 -1.4229 -1.4229 -1.0051 -1.0051 0.0905 0.0905 0.3716 0.3716 0.3913 0.3913 3.6317 3.6317 6.0941 6.0941 9.0470 9.0470 9.1020 9.1020 11.6059 11.6059 k =-0.3830 0.3577 0.0000 ( 2204 PWs) bands (ev): -18.0436 -18.0436 -16.7274 -16.7274 -7.1967 -7.1967 -3.1545 -3.1545 -2.9418 -2.9418 -2.4014 -2.4014 -2.3030 -2.3030 -1.4259 -1.4259 -1.0063 -1.0063 0.1003 0.1003 0.3721 0.3721 0.3912 0.3912 3.6316 3.6316 6.0943 6.0943 9.0366 9.0366 9.0710 9.0710 11.6588 11.6588 k =-0.3936 0.3676 0.0000 ( 2200 PWs) bands (ev): -18.0434 -18.0434 -16.7273 -16.7273 -7.1967 -7.1967 -3.1545 -3.1545 -2.9417 -2.9417 -2.4048 -2.4048 -2.3029 -2.3029 -1.4289 -1.4289 -1.0073 -1.0073 0.1098 0.1098 0.3724 0.3724 0.3907 0.3907 3.6319 3.6319 6.0945 6.0945 9.0265 9.0265 9.0426 9.0426 11.7115 11.7115 k =-0.4043 0.3776 0.0000 ( 2196 PWs) bands (ev): -18.0432 -18.0432 -16.7273 -16.7273 -7.1967 -7.1967 -3.1545 -3.1545 -2.9417 -2.9417 -2.4079 -2.4079 -2.3026 -2.3026 -1.4318 -1.4318 -1.0083 -1.0083 0.1189 0.1189 0.3723 0.3723 0.3898 0.3898 3.6325 3.6325 6.0946 6.0946 9.0120 9.0120 9.0219 9.0219 11.7631 11.7631 k =-0.4149 0.3875 0.0000 ( 2188 PWs) bands (ev): -18.0430 -18.0430 -16.7273 -16.7273 -7.1967 -7.1967 -3.1544 -3.1544 -2.9416 -2.9416 -2.4107 -2.4107 -2.3021 -2.3021 -1.4346 -1.4346 -1.0092 -1.0092 0.1275 0.1275 0.3720 0.3720 0.3887 0.3887 3.6332 3.6332 6.0947 6.0947 8.9895 8.9895 9.0125 9.0125 11.8129 11.8129 k =-0.4255 0.3975 0.0000 ( 2196 PWs) bands (ev): -18.0429 -18.0429 -16.7273 -16.7273 -7.1966 -7.1966 -3.1544 -3.1544 -2.9416 -2.9416 -2.4132 -2.4132 -2.3016 -2.3016 -1.4373 -1.4373 -1.0102 -1.0102 0.1356 0.1356 0.3713 0.3713 0.3875 0.3875 3.6340 3.6340 6.0948 6.0948 8.9682 8.9682 9.0054 9.0054 11.8602 11.8602 k =-0.4362 0.4074 0.0000 ( 2188 PWs) bands (ev): -18.0428 -18.0428 -16.7273 -16.7273 -7.1966 -7.1966 -3.1543 -3.1543 -2.9415 -2.9415 -2.4153 -2.4153 -2.3010 -2.3010 -1.4397 -1.4397 -1.0109 -1.0109 0.1431 0.1431 0.3705 0.3705 0.3864 0.3864 3.6349 3.6349 6.0950 6.0950 8.9494 8.9494 8.9994 8.9994 11.9040 11.9040 k =-0.4468 0.4173 0.0000 ( 2190 PWs) bands (ev): -18.0427 -18.0427 -16.7272 -16.7272 -7.1966 -7.1966 -3.1543 -3.1543 -2.9414 -2.9414 -2.4171 -2.4171 -2.3004 -2.3004 -1.4419 -1.4419 -1.0117 -1.0117 0.1497 0.1497 0.3694 0.3694 0.3854 0.3854 3.6358 3.6358 6.0950 6.0950 8.9333 8.9333 8.9943 8.9943 11.9434 11.9434 k =-0.4574 0.4273 0.0000 ( 2188 PWs) bands (ev): -18.0426 -18.0426 -16.7272 -16.7272 -7.1966 -7.1966 -3.1543 -3.1543 -2.9414 -2.9414 -2.4186 -2.4186 -2.2998 -2.2998 -1.4438 -1.4438 -1.0122 -1.0122 0.1554 0.1554 0.3681 0.3681 0.3846 0.3846 3.6366 3.6366 6.0951 6.0951 8.9200 8.9200 8.9902 8.9902 11.9774 11.9774 k =-0.4681 0.4372 0.0000 ( 2184 PWs) bands (ev): -18.0426 -18.0426 -16.7272 -16.7272 -7.1966 -7.1966 -3.1543 -3.1543 -2.9414 -2.9414 -2.4198 -2.4198 -2.2993 -2.2993 -1.4452 -1.4452 -1.0126 -1.0126 0.1600 0.1600 0.3670 0.3670 0.3840 0.3840 3.6372 3.6372 6.0952 6.0952 8.9096 8.9096 8.9870 8.9870 12.0050 12.0050 k =-0.4787 0.4471 0.0000 ( 2180 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4207 -2.4207 -2.2990 -2.2990 -1.4463 -1.4463 -1.0129 -1.0129 0.1634 0.1634 0.3660 0.3660 0.3836 0.3836 3.6377 3.6377 6.0952 6.0952 8.9022 8.9022 8.9847 8.9847 12.0255 12.0255 k =-0.4894 0.4571 0.0000 ( 2178 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4212 -2.4212 -2.2988 -2.2988 -1.4469 -1.4469 -1.0131 -1.0131 0.1655 0.1655 0.3654 0.3654 0.3833 0.3833 3.6381 3.6381 6.0952 6.0952 8.8977 8.8977 8.9833 8.9833 12.0380 12.0380 k =-0.5000 0.4670 0.0000 ( 2184 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4213 -2.4213 -2.2987 -2.2987 -1.4472 -1.4472 -1.0132 -1.0132 0.1662 0.1662 0.3651 0.3651 0.3833 0.3833 3.6381 3.6382 6.0953 6.0953 8.8962 8.8962 8.9829 8.9829 12.0423 12.0423 k =-0.5000 0.4670 0.0000 ( 2184 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4213 -2.4213 -2.2987 -2.2987 -1.4472 -1.4472 -1.0132 -1.0132 0.1662 0.1662 0.3651 0.3651 0.3833 0.3833 3.6382 3.6382 6.0953 6.0953 8.8962 8.8962 8.9829 8.9829 12.0423 12.0423 k =-0.4920 0.4755-0.0000 ( 2178 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1541 -3.1541 -2.9412 -2.9412 -2.4215 -2.4215 -2.2986 -2.2986 -1.4469 -1.4469 -1.0131 -1.0131 0.1659 0.1659 0.3603 0.3603 0.3883 0.3883 3.6379 3.6379 6.0952 6.0952 8.8966 8.8966 8.9839 8.9839 12.0419 12.0419 k =-0.4840 0.4841-0.0000 ( 2178 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1541 -3.1541 -2.9413 -2.9413 -2.4221 -2.4221 -2.2983 -2.2983 -1.4461 -1.4461 -1.0127 -1.0127 0.1649 0.1649 0.3515 0.3515 0.3978 0.3978 3.6371 3.6371 6.0952 6.0952 8.8976 8.8976 8.9868 8.9868 12.0409 12.0409 k =-0.4761 0.4926-0.0000 ( 2178 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4231 -2.4231 -2.2978 -2.2978 -1.4449 -1.4449 -1.0122 -1.0122 0.1632 0.1632 0.3422 0.3422 0.4082 0.4082 3.6359 3.6359 6.0952 6.0952 8.8993 8.8993 8.9917 8.9917 12.0392 12.0392 k =-0.4681 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0425 -18.0425 -16.7272 -16.7272 -7.1966 -7.1966 -3.1542 -3.1542 -2.9414 -2.9414 -2.4245 -2.4245 -2.2972 -2.2972 -1.4432 -1.4432 -1.0114 -1.0114 0.1609 0.1609 0.3329 0.3329 0.4190 0.4190 3.6341 3.6341 6.0952 6.0952 8.9017 8.9017 8.9986 8.9986 12.0368 12.0368 k =-0.4681 0.5012-0.0000 ( 2182 PWs) bands (ev): -18.0425 -18.0425 -16.7272 -16.7272 -7.1966 -7.1966 -3.1542 -3.1542 -2.9414 -2.9414 -2.4245 -2.4245 -2.2972 -2.2972 -1.4432 -1.4432 -1.0114 -1.0114 0.1609 0.1609 0.3329 0.3329 0.4190 0.4190 3.6341 3.6341 6.0952 6.0952 8.9017 8.9017 8.9986 8.9986 12.0368 12.0368 k =-0.4681 0.5012 0.0147 ( 2184 PWs) bands (ev): -18.0420 -18.0420 -16.7253 -16.7253 -7.1991 -7.1991 -3.1679 -3.1679 -2.9558 -2.9558 -2.4184 -2.4184 -2.2928 -2.2928 -1.4434 -1.4434 -1.0112 -1.0112 0.1727 0.1727 0.3368 0.3368 0.4233 0.4233 3.6383 3.6383 6.0923 6.0923 8.9000 8.9000 8.9965 8.9965 12.0360 12.0360 k =-0.4681 0.5012 0.0294 ( 2184 PWs) bands (ev): -18.0407 -18.0407 -16.7195 -16.7195 -7.2066 -7.2066 -3.2075 -3.2075 -2.9972 -2.9972 -2.4014 -2.4014 -2.2807 -2.2807 -1.4439 -1.4439 -1.0105 -1.0105 0.2073 0.2073 0.3403 0.3403 0.4444 0.4444 3.6508 3.6508 6.0836 6.0836 8.8949 8.8949 8.9903 8.9903 12.0337 12.0337 k =-0.4681 0.5012 0.0440 ( 2189 PWs) bands (ev): -18.0385 -18.0385 -16.7100 -16.7100 -7.2191 -7.2191 -3.2696 -3.2696 -3.0614 -3.0614 -2.3772 -2.3772 -2.2629 -2.2629 -1.4446 -1.4446 -1.0094 -1.0094 0.2602 0.2602 0.3338 0.3338 0.4938 0.4938 3.6717 3.6717 6.0695 6.0695 8.8864 8.8864 8.9799 8.9799 12.0300 12.0300 k =-0.4681 0.5012 0.0587 ( 2187 PWs) bands (ev): -18.0353 -18.0353 -16.6966 -16.6966 -7.2365 -7.2365 -3.3500 -3.3500 -3.1435 -3.1435 -2.3490 -2.3490 -2.2413 -2.2413 -1.4451 -1.4451 -1.0077 -1.0077 0.2866 0.2866 0.3603 0.3603 0.5701 0.5701 3.7008 3.7008 6.0501 6.0501 8.8744 8.8744 8.9654 8.9654 12.0251 12.0251 k =-0.4681 0.5012 0.0734 ( 2189 PWs) bands (ev): -18.0313 -18.0313 -16.6794 -16.6794 -7.2587 -7.2587 -3.4450 -3.4450 -3.2400 -3.2400 -2.3191 -2.3191 -2.2176 -2.2176 -1.4455 -1.4455 -1.0057 -1.0057 0.2558 0.2558 0.4512 0.4512 0.6679 0.6679 3.7381 3.7381 6.0259 6.0259 8.8588 8.8588 8.9465 8.9465 12.0191 12.0191 k =-0.4681 0.5012 0.0881 ( 2192 PWs) bands (ev): -18.0265 -18.0265 -16.6583 -16.6583 -7.2856 -7.2856 -3.5512 -3.5512 -3.3475 -3.3475 -2.2885 -2.2885 -2.1926 -2.1926 -1.4455 -1.4455 -1.0033 -1.0033 0.2095 0.2095 0.5639 0.5639 0.7837 0.7837 3.7834 3.7834 5.9974 5.9974 8.8394 8.8394 8.9232 8.9232 12.0124 12.0124 k =-0.4681 0.5012 0.1028 ( 2192 PWs) bands (ev): -18.0207 -18.0207 -16.6335 -16.6335 -7.3169 -7.3169 -3.6661 -3.6661 -3.4637 -3.4637 -2.2578 -2.2578 -2.1668 -2.1668 -1.4450 -1.4450 -1.0004 -1.0004 0.1527 0.1527 0.6919 0.6919 0.9146 0.9146 3.8366 3.8366 5.9653 5.9653 8.8161 8.8161 8.8954 8.8954 12.0054 12.0054 k =-0.4681 0.5012 0.1174 ( 2194 PWs) bands (ev): -18.0141 -18.0141 -16.6048 -16.6048 -7.3526 -7.3526 -3.7876 -3.7876 -3.5866 -3.5866 -2.2271 -2.2271 -2.1401 -2.1401 -1.4439 -1.4439 -0.9971 -0.9971 0.0862 0.0862 0.8327 0.8327 1.0583 1.0583 3.8975 3.8975 5.9300 5.9300 8.7887 8.7887 8.8631 8.8631 11.9982 11.9982 k =-0.4681 0.5012 0.1321 ( 2194 PWs) bands (ev): -18.0067 -18.0067 -16.5724 -16.5724 -7.3925 -7.3925 -3.9140 -3.9140 -3.7146 -3.7146 -2.1962 -2.1962 -2.1127 -2.1127 -1.4422 -1.4422 -0.9935 -0.9935 0.0104 0.0104 0.9842 0.9842 1.2130 1.2130 3.9660 3.9660 5.8924 5.8924 8.7571 8.7571 8.8260 8.8260 11.9915 11.9915 k =-0.4681 0.5012 0.1468 ( 2194 PWs) bands (ev): -17.9984 -17.9984 -16.5361 -16.5361 -7.4362 -7.4362 -4.0441 -4.0441 -3.8463 -3.8463 -2.1649 -2.1649 -2.0842 -2.0842 -1.4399 -1.4399 -0.9895 -0.9895 -0.0746 -0.0746 1.1449 1.1449 1.3769 1.3769 4.0418 4.0418 5.8532 5.8532 8.7210 8.7210 8.7842 8.7842 11.9855 11.9855 k =-0.4681 0.5012 0.1615 ( 2191 PWs) bands (ev): -17.9893 -17.9893 -16.4960 -16.4960 -7.4837 -7.4837 -4.1768 -4.1768 -3.9807 -3.9807 -2.1331 -2.1331 -2.0547 -2.0547 -1.4371 -1.4371 -0.9852 -0.9852 -0.1687 -0.1687 1.3134 1.3134 1.5486 1.5486 4.1248 4.1248 5.8129 5.8129 8.6803 8.6803 8.7375 8.7375 11.9808 11.9808 k =-0.4681 0.5012 0.1762 ( 2191 PWs) bands (ev): -17.9794 -17.9794 -16.4523 -16.4523 -7.5346 -7.5346 -4.3111 -4.3111 -4.1169 -4.1169 -2.1005 -2.1005 -2.0238 -2.0238 -1.4337 -1.4337 -0.9804 -0.9804 -0.2718 -0.2718 1.4886 1.4886 1.7270 1.7270 4.2145 4.2145 5.7722 5.7722 8.6349 8.6349 8.6860 8.6860 11.9776 11.9776 k =-0.4681 0.5012 0.1908 ( 2189 PWs) bands (ev): -17.9687 -17.9687 -16.4048 -16.4048 -7.5887 -7.5887 -4.4464 -4.4464 -4.2541 -4.2541 -2.0670 -2.0670 -1.9916 -1.9916 -1.4298 -1.4298 -0.9754 -0.9754 -0.3836 -0.3836 1.6695 1.6695 1.9111 1.9111 4.3108 4.3108 5.7319 5.7319 8.5847 8.5847 8.6296 8.6296 11.9765 11.9765 k =-0.4681 0.5012 0.2055 ( 2191 PWs) bands (ev): -17.9573 -17.9573 -16.3535 -16.3535 -7.6458 -7.6458 -4.5821 -4.5821 -4.3917 -4.3917 -2.0326 -2.0326 -1.9579 -1.9579 -1.4255 -1.4255 -0.9701 -0.9701 -0.5038 -0.5038 1.8553 1.8553 2.1000 2.1000 4.4134 4.4134 5.6925 5.6925 8.5295 8.5295 8.5683 8.5683 11.9777 11.9777 k =-0.4681 0.5012 0.2202 ( 2190 PWs) bands (ev): -17.9451 -17.9451 -16.2986 -16.2986 -7.7057 -7.7057 -4.7175 -4.7175 -4.5293 -4.5293 -1.9970 -1.9970 -1.9227 -1.9227 -1.4207 -1.4207 -0.9645 -0.9645 -0.6323 -0.6323 2.0452 2.0452 2.2930 2.2930 4.5217 4.5217 5.6546 5.6546 8.4694 8.4694 8.5023 8.5023 11.9816 11.9816 k =-0.4681 0.5012 0.2349 ( 2190 PWs) bands (ev): -17.9322 -17.9322 -16.2400 -16.2400 -7.7680 -7.7680 -4.8524 -4.8524 -4.6662 -4.6662 -1.9605 -1.9605 -1.8858 -1.8858 -1.4155 -1.4155 -0.9587 -0.9587 -0.7685 -0.7685 2.2386 2.2386 2.4894 2.4894 4.6355 4.6355 5.6189 5.6189 8.4044 8.4044 8.4316 8.4316 11.9884 11.9884 k =-0.4681 0.5012 0.2496 ( 2193 PWs) bands (ev): -17.9186 -17.9186 -16.1778 -16.1778 -7.8325 -7.8325 -4.9863 -4.9863 -4.8022 -4.8022 -1.9231 -1.9231 -1.8473 -1.8473 -1.4100 -1.4100 -0.9528 -0.9528 -0.9119 -0.9119 2.4348 2.4348 2.6886 2.6886 4.7539 4.7539 5.5862 5.5862 8.3346 8.3346 8.3565 8.3565 11.9984 11.9984 k =-0.4681 0.5012 0.2643 ( 2185 PWs) bands (ev): -17.9044 -17.9044 -16.1118 -16.1118 -7.8990 -7.8990 -5.1188 -5.1188 -4.9369 -4.9369 -1.8853 -1.8853 -1.8070 -1.8070 -1.4040 -1.4040 -1.0621 -1.0621 -0.9460 -0.9460 2.6335 2.6335 2.8902 2.8902 4.8759 4.8759 5.5575 5.5575 8.2600 8.2600 8.2771 8.2771 12.0118 12.0118 k =-0.4681 0.5012 0.2789 ( 2185 PWs) bands (ev): -17.8895 -17.8895 -16.0424 -16.0424 -7.9672 -7.9672 -5.2498 -5.2498 -5.0700 -5.0700 -1.8481 -1.8481 -1.7651 -1.7651 -1.3979 -1.3979 -1.2168 -1.2168 -0.9395 -0.9395 2.8341 2.8341 3.0935 3.0935 4.9996 4.9996 5.5349 5.5349 8.1807 8.1807 8.1938 8.1938 12.0286 12.0286 k =-0.4681 0.5012 0.2936 ( 2187 PWs) bands (ev): -17.8740 -17.8740 -15.9693 -15.9693 -8.0369 -8.0369 -5.3791 -5.3791 -5.2014 -5.2014 -1.8148 -1.8148 -1.7215 -1.7215 -1.3961 -1.3961 -1.3682 -1.3682 -0.9327 -0.9327 3.0360 3.0360 3.2982 3.2982 5.1204 5.1204 5.5227 5.5227 8.0970 8.0970 8.1070 8.1070 12.0490 12.0490 k =-0.4681 0.5012 0.3083 ( 2185 PWs) bands (ev): -17.8580 -17.8580 -15.8927 -15.8927 -8.1078 -8.1078 -5.5064 -5.5064 -5.3307 -5.3307 -1.7976 -1.7976 -1.6764 -1.6764 -1.5198 -1.5198 -1.3821 -1.3821 -0.9257 -0.9257 3.2388 3.2388 3.5037 3.5037 5.2269 5.2269 5.5323 5.5323 8.0091 8.0091 8.0173 8.0173 12.0728 12.0728 k =-0.4681 0.5012 0.3230 ( 2187 PWs) bands (ev): -17.8414 -17.8414 -15.8127 -15.8127 -8.1797 -8.1797 -5.6315 -5.6315 -5.4579 -5.4579 -1.8449 -1.8449 -1.6310 -1.6310 -1.6032 -1.6032 -1.3746 -1.3746 -0.9186 -0.9186 3.4421 3.4421 3.7097 3.7097 5.2974 5.2974 5.5853 5.5853 7.9172 7.9172 7.9250 7.9250 12.1001 12.1001 k =-0.4681 0.5012 0.3377 ( 2185 PWs) bands (ev): -17.8243 -17.8243 -15.7291 -15.7291 -8.2524 -8.2524 -5.7542 -5.7542 -5.5827 -5.5827 -1.9832 -1.9832 -1.6054 -1.6054 -1.5786 -1.5786 -1.3660 -1.3660 -0.9113 -0.9113 3.6452 3.6452 3.9156 3.9156 5.3247 5.3247 5.6886 5.6886 7.8221 7.8221 7.8305 7.8305 12.1308 12.1308 k =-0.4681 0.5012 0.3523 ( 2184 PWs) bands (ev): -17.8068 -17.8068 -15.6422 -15.6422 -8.3257 -8.3257 -5.8745 -5.8745 -5.7050 -5.7050 -2.1578 -2.1578 -1.5712 -1.5712 -1.5292 -1.5292 -1.3563 -1.3563 -0.9038 -0.9038 3.8474 3.8474 4.1208 4.1208 5.3289 5.3289 5.8222 5.8222 7.7248 7.7248 7.7339 7.7339 12.1647 12.1647 k =-0.4681 0.5012 0.3670 ( 2181 PWs) bands (ev): -17.7889 -17.7889 -15.5518 -15.5518 -8.3993 -8.3993 -5.9921 -5.9921 -5.8246 -5.8246 -2.3453 -2.3453 -1.5290 -1.5290 -1.4778 -1.4778 -1.3448 -1.3448 -0.8962 -0.8962 4.0481 4.0481 4.3246 4.3246 5.3255 5.3255 5.9705 5.9705 7.6261 7.6261 7.6356 7.6356 12.2016 12.2016 k =-0.4681 0.5012 0.3817 ( 2181 PWs) bands (ev): -17.7705 -17.7705 -15.4582 -15.4582 -8.4731 -8.4731 -6.1071 -6.1071 -5.9415 -5.9415 -2.5401 -2.5401 -1.4847 -1.4847 -1.4252 -1.4252 -1.3302 -1.3302 -0.8885 -0.8885 4.2460 4.2460 4.5262 4.5262 5.3208 5.3208 6.1272 6.1272 7.5272 7.5272 7.5364 7.5364 12.2414 12.2414 k =-0.4681 0.5012 0.3964 ( 2181 PWs) bands (ev): -17.7519 -17.7519 -15.3614 -15.3614 -8.5468 -8.5468 -6.2192 -6.2192 -6.0555 -6.0555 -2.7400 -2.7400 -1.4424 -1.4424 -1.3722 -1.3722 -1.3095 -1.3095 -0.8807 -0.8807 4.4396 4.4396 4.7244 4.7244 5.3179 5.3179 6.2897 6.2897 7.4290 7.4290 7.4372 7.4372 12.2837 12.2837 k =-0.4681 0.5012 0.4111 ( 2185 PWs) bands (ev): -17.7330 -17.7330 -15.2613 -15.2613 -8.6203 -8.6203 -6.3285 -6.3285 -6.1666 -6.1666 -2.9438 -2.9438 -1.4065 -1.4065 -1.3197 -1.3197 -1.2782 -1.2782 -0.8728 -0.8728 4.6261 4.6261 4.9176 4.9176 5.3197 5.3197 6.4567 6.4567 7.3329 7.3329 7.3397 7.3397 12.3283 12.3283 k =-0.4681 0.5012 0.4257 ( 2183 PWs) bands (ev): -17.7138 -17.7138 -15.1582 -15.1582 -8.6933 -8.6933 -6.4347 -6.4347 -6.2746 -6.2746 -3.1509 -3.1509 -1.3799 -1.3799 -1.2679 -1.2679 -1.2335 -1.2335 -0.8648 -0.8648 4.8009 4.8009 5.1027 5.1027 5.3307 5.3307 6.6273 6.6273 7.2397 7.2397 7.2469 7.2469 12.3747 12.3747 k =-0.4681 0.5012 0.4404 ( 2181 PWs) bands (ev): -17.6945 -17.6945 -15.0520 -15.0520 -8.7656 -8.7656 -6.5378 -6.5378 -6.3795 -6.3795 -3.3605 -3.3605 -1.3611 -1.3611 -1.2147 -1.2147 -1.1795 -1.1795 -0.8566 -0.8566 4.9540 4.9540 5.2712 5.2712 5.3641 5.3641 6.8009 6.8009 7.1503 7.1503 7.1636 7.1636 12.4227 12.4227 k =-0.4681 0.5012 0.4551 ( 2175 PWs) bands (ev): -17.6751 -17.6751 -14.9428 -14.9428 -8.8372 -8.8372 -6.6378 -6.6378 -6.4812 -6.4812 -3.5723 -3.5723 -1.3472 -1.3472 -1.1586 -1.1586 -1.1210 -1.1210 -0.8481 -0.8481 5.0689 5.0689 5.3855 5.3855 5.4665 5.4665 6.9747 6.9747 7.0695 7.0695 7.0954 7.0954 12.4719 12.4719 k =-0.4681 0.5012 0.4698 ( 2175 PWs) bands (ev): -17.6556 -17.6556 -14.8309 -14.8309 -8.9078 -8.9078 -6.7347 -6.7347 -6.5797 -6.5797 -3.7858 -3.7858 -1.3359 -1.3359 -1.1003 -1.1003 -1.0600 -1.0600 -0.8393 -0.8393 5.1350 5.1350 5.4807 5.4807 5.6014 5.6014 6.9988 6.9988 7.0389 7.0389 7.1621 7.1621 12.5217 12.5217 k =-0.4681 0.5012 0.4845 ( 2173 PWs) bands (ev): -17.6360 -17.6360 -14.7162 -14.7162 -8.9773 -8.9773 -6.8282 -6.8282 -6.6748 -6.6748 -4.0004 -4.0004 -1.3261 -1.3261 -1.0406 -1.0406 -0.9973 -0.9973 -0.8298 -0.8298 5.1664 5.1664 5.5823 5.5823 5.7137 5.7137 6.9517 6.9517 7.0183 7.0183 7.3412 7.3412 12.5717 12.5717 k =-0.4681 0.5012 0.4991 ( 2173 PWs) bands (ev): -17.6166 -17.6166 -14.5990 -14.5990 -9.0454 -9.0454 -6.9184 -6.9184 -6.7666 -6.7666 -4.2158 -4.2158 -1.3173 -1.3173 -0.9808 -0.9808 -0.9334 -0.9334 -0.8189 -0.8189 5.1808 5.1808 5.6681 5.6681 5.7892 5.7892 6.9345 6.9345 7.0337 7.0337 7.5238 7.5238 12.6213 12.6213 k =-0.4681 0.5012 0.5138 ( 2169 PWs) bands (ev): -17.5972 -17.5972 -14.4793 -14.4793 -9.1121 -9.1121 -7.0053 -7.0053 -6.8550 -6.8550 -4.4315 -4.4315 -1.3091 -1.3091 -0.9232 -0.9232 -0.8684 -0.8684 -0.8045 -0.8045 5.1871 5.1871 5.7214 5.7214 5.8227 5.8227 6.9561 6.9561 7.0909 7.0909 7.7082 7.7082 12.6700 12.6700 k =-0.4681 0.5012 0.5285 ( 2169 PWs) bands (ev): -17.5780 -17.5780 -14.3573 -14.3573 -9.1772 -9.1772 -7.0888 -7.0888 -6.9399 -6.9399 -4.6471 -4.6471 -1.3014 -1.3014 -0.8735 -0.8735 -0.8030 -0.8030 -0.7810 -0.7810 5.1886 5.1886 5.7361 5.7361 5.8167 5.8167 7.0200 7.0200 7.1870 7.1870 7.8937 7.8937 12.7171 12.7171 k =-0.4681 0.5012 0.5432 ( 2173 PWs) bands (ev): -17.5590 -17.5590 -14.2332 -14.2332 -9.2406 -9.2406 -7.1688 -7.1688 -7.0213 -7.0213 -4.8621 -4.8621 -1.2941 -1.2941 -0.8404 -0.8404 -0.7432 -0.7432 -0.7340 -0.7340 5.1862 5.1862 5.7165 5.7165 5.7801 5.7801 7.1213 7.1213 7.3130 7.3130 8.0799 8.0799 12.7620 12.7620 k =-0.4681 0.5012 0.5579 ( 2169 PWs) bands (ev): -17.5403 -17.5403 -14.1071 -14.1071 -9.3020 -9.3020 -7.2453 -7.2453 -7.0991 -7.0991 -5.0761 -5.0761 -1.2871 -1.2871 -0.8219 -0.8219 -0.6866 -0.6866 -0.6682 -0.6682 5.1796 5.1796 5.6716 5.6716 5.7232 5.7232 7.2506 7.2506 7.4596 7.4596 8.2665 8.2665 12.8038 12.8038 k =-0.4681 0.5012 0.5725 ( 2167 PWs) bands (ev): -17.5220 -17.5220 -13.9794 -13.9794 -9.3614 -9.3614 -7.3183 -7.3183 -7.1734 -7.1734 -5.2888 -5.2888 -1.2804 -1.2804 -0.8099 -0.8099 -0.6244 -0.6244 -0.6012 -0.6012 5.1674 5.1674 5.6094 5.6094 5.6563 5.6563 7.3986 7.3986 7.6190 7.6190 8.4531 8.4531 12.8419 12.8419 k =-0.4681 0.5012 0.5872 ( 2165 PWs) bands (ev): -17.5041 -17.5041 -13.8502 -13.8502 -9.4187 -9.4187 -7.3877 -7.3877 -7.2440 -7.2440 -5.4996 -5.4996 -1.2741 -1.2741 -0.8007 -0.8007 -0.5597 -0.5597 -0.5340 -0.5340 5.1474 5.1474 5.5337 5.5337 5.5902 5.5902 7.5583 7.5583 7.7860 7.7860 8.6391 8.6391 12.8753 12.8753 k =-0.4681 0.5012 0.6019 ( 2165 PWs) bands (ev): -17.4867 -17.4867 -13.7199 -13.7199 -9.4736 -9.4736 -7.4536 -7.4536 -7.3110 -7.3110 -5.7080 -5.7080 -1.2680 -1.2680 -0.7928 -0.7928 -0.4940 -0.4940 -0.4670 -0.4670 5.1168 5.1168 5.4481 5.4481 5.5324 5.5324 7.7249 7.7249 7.9571 7.9571 8.8242 8.8242 12.9034 12.9034 k =-0.4681 0.5012 0.6166 ( 2161 PWs) bands (ev): -17.4699 -17.4699 -13.5888 -13.5888 -9.5261 -9.5261 -7.5158 -7.5158 -7.3743 -7.3743 -5.9135 -5.9135 -1.2622 -1.2622 -0.7858 -0.7858 -0.4282 -0.4282 -0.4005 -0.4005 5.0736 5.0736 5.3572 5.3572 5.4864 5.4864 7.8951 7.8951 8.1297 8.1297 9.0077 9.0077 12.9253 12.9253 k =-0.4681 0.5012 0.6313 ( 2163 PWs) bands (ev): -17.4537 -17.4537 -13.4575 -13.4575 -9.5761 -9.5761 -7.5744 -7.5744 -7.4338 -7.4338 -6.1156 -6.1156 -1.2567 -1.2567 -0.7794 -0.7794 -0.3628 -0.3628 -0.3347 -0.3347 5.0176 5.0176 5.2641 5.2641 5.4530 5.4530 8.0665 8.0665 8.3020 8.3020 9.1889 9.1889 12.9403 12.9403 k =-0.4681 0.5012 0.6459 ( 2171 PWs) bands (ev): -17.4382 -17.4382 -13.3263 -13.3263 -9.6235 -9.6235 -7.6294 -7.6294 -7.4898 -7.4898 -6.3136 -6.3136 -1.2515 -1.2515 -0.7735 -0.7735 -0.2982 -0.2982 -0.2701 -0.2701 4.9516 4.9516 5.1709 5.1709 5.4305 5.4305 8.2374 8.2374 8.4728 8.4728 9.3673 9.3673 12.9476 12.9476 k =-0.4681 0.5012 0.6606 ( 2171 PWs) bands (ev): -17.4234 -17.4234 -13.1957 -13.1957 -9.6681 -9.6681 -7.6807 -7.6807 -7.5419 -7.5419 -6.5067 -6.5067 -1.2466 -1.2466 -0.7680 -0.7680 -0.2350 -0.2350 -0.2069 -0.2069 4.8789 4.8789 5.0792 5.0792 5.4163 5.4163 8.4065 8.4065 8.6407 8.6407 9.5420 9.5420 12.9470 12.9470 k =-0.4681 0.5012 0.6753 ( 2175 PWs) bands (ev): -17.4094 -17.4094 -13.0666 -13.0666 -9.7098 -9.7098 -7.7283 -7.7283 -7.5902 -7.5902 -6.6943 -6.6943 -1.2421 -1.2421 -0.7630 -0.7630 -0.1734 -0.1734 -0.1455 -0.1455 4.8030 4.8030 4.9899 4.9899 5.4079 5.4079 8.5725 8.5725 8.8048 8.8048 9.7121 9.7121 12.9380 12.9380 k =-0.4681 0.5012 0.6900 ( 2175 PWs) bands (ev): -17.3963 -17.3963 -12.9395 -12.9395 -9.7486 -9.7486 -7.7721 -7.7721 -7.6347 -7.6347 -6.8754 -6.8754 -1.2379 -1.2379 -0.7583 -0.7583 -0.1140 -0.1140 -0.0864 -0.0864 4.7266 4.7266 4.9040 4.9040 5.4033 5.4033 8.7343 8.7343 8.9640 8.9640 9.8767 9.8767 12.9209 12.9209 k =-0.4681 0.5012 0.7047 ( 2175 PWs) bands (ev): -17.3842 -17.3842 -12.8156 -12.8156 -9.7843 -9.7843 -7.8123 -7.8123 -7.6755 -7.6755 -7.0489 -7.0489 -1.2340 -1.2340 -0.7541 -0.7541 -0.0573 -0.0573 -0.0300 -0.0300 4.6517 4.6517 4.8223 4.8223 5.4012 5.4012 8.8907 8.8907 9.1172 9.1172 10.0344 10.0344 12.8958 12.8958 k =-0.4681 0.5012 0.7193 ( 2176 PWs) bands (ev): -17.3730 -17.3730 -12.6960 -12.6960 -9.8169 -9.8169 -7.8487 -7.8487 -7.7123 -7.7123 -7.2138 -7.2138 -1.2304 -1.2304 -0.7502 -0.7502 -0.0038 -0.0038 0.0233 0.0233 4.5799 4.5799 4.7457 4.7457 5.4007 5.4007 9.0406 9.0406 9.2632 9.2632 10.1841 10.1841 12.8638 12.8638 k =-0.4681 0.5012 0.7340 ( 2180 PWs) bands (ev): -17.3628 -17.3628 -12.5819 -12.5819 -9.8462 -9.8462 -7.8814 -7.8814 -7.7454 -7.7454 -7.3685 -7.3685 -1.2272 -1.2272 -0.7467 -0.7467 0.0461 0.0461 0.0728 0.0728 4.5125 4.5125 4.6747 4.6747 5.4012 5.4012 9.1825 9.1825 9.4009 9.4009 10.3242 10.3242 12.8259 12.8259 k =-0.4681 0.5012 0.7487 ( 2182 PWs) bands (ev): -17.3537 -17.3537 -12.4745 -12.4745 -9.8723 -9.8723 -7.9104 -7.9104 -7.7746 -7.7746 -7.5116 -7.5116 -1.2244 -1.2244 -0.7436 -0.7436 0.0918 0.0918 0.1183 0.1183 4.4504 4.4504 4.6102 4.6102 5.4024 5.4024 9.3150 9.3150 9.5288 9.5288 10.4533 10.4533 12.7837 12.7837 k =-0.4681 0.5012 0.7634 ( 2180 PWs) bands (ev): -17.3458 -17.3458 -12.3756 -12.3756 -9.8951 -9.8951 -7.9358 -7.9358 -7.7999 -7.7999 -7.6411 -7.6411 -1.2219 -1.2219 -0.7409 -0.7409 0.1328 0.1328 0.1590 0.1590 4.3947 4.3947 4.5526 4.5526 5.4038 5.4038 9.4362 9.4362 9.6453 9.6453 10.5698 10.5698 12.7394 12.7394 k =-0.4681 0.5012 0.7781 ( 2176 PWs) bands (ev): -17.3390 -17.3390 -12.2872 -12.2872 -9.9144 -9.9144 -7.9579 -7.9579 -7.8213 -7.8213 -7.7551 -7.7551 -1.2198 -1.2198 -0.7386 -0.7386 0.1685 0.1685 0.1945 0.1945 4.3461 4.3461 4.5028 4.5028 5.4052 5.4052 9.5442 9.5442 9.7487 9.7487 10.6718 10.6718 12.6952 12.6952 k =-0.4681 0.5012 0.7928 ( 2174 PWs) bands (ev): -17.3334 -17.3334 -12.2111 -12.2111 -9.9303 -9.9303 -7.9772 -7.9772 -7.8515 -7.8515 -7.8382 -7.8382 -1.2180 -1.2180 -0.7367 -0.7367 0.1985 0.1985 0.2243 0.2243 4.3053 4.3053 4.4612 4.4612 5.4066 5.4066 9.6369 9.6369 9.8370 9.8370 10.7578 10.7578 12.6538 12.6538 k =-0.4681 0.5012 0.8074 ( 2172 PWs) bands (ev): -17.3290 -17.3290 -12.1494 -12.1494 -9.9427 -9.9427 -7.9959 -7.9959 -7.9245 -7.9245 -7.8522 -7.8522 -1.2167 -1.2167 -0.7353 -0.7353 0.2223 0.2223 0.2480 0.2480 4.2729 4.2729 4.4282 4.4282 5.4078 5.4078 9.7120 9.7120 9.9084 9.9084 10.8263 10.8263 12.6179 12.6179 k =-0.4681 0.5012 0.8221 ( 2178 PWs) bands (ev): -17.3258 -17.3258 -12.1038 -12.1038 -9.9516 -9.9516 -8.0194 -8.0194 -7.9684 -7.9684 -7.8621 -7.8621 -1.2157 -1.2157 -0.7342 -0.7342 0.2396 0.2396 0.2652 0.2652 4.2494 4.2494 4.4044 4.4044 5.4087 5.4087 9.7675 9.7675 9.9610 9.9610 10.8760 10.8760 12.5899 12.5899 k =-0.4681 0.5012 0.8368 ( 2180 PWs) bands (ev): -17.3239 -17.3239 -12.0757 -12.0757 -9.9569 -9.9569 -8.0435 -8.0435 -7.9855 -7.9855 -7.8680 -7.8680 -1.2152 -1.2152 -0.7336 -0.7336 0.2501 0.2501 0.2756 0.2756 4.2351 4.2351 4.3900 4.3900 5.4093 5.4093 9.8017 9.8017 9.9933 9.9933 10.9062 10.9062 12.5722 12.5722 k =-0.4681 0.5012 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0531 -8.0531 -7.9897 -7.9897 -7.8699 -7.8699 -1.2150 -1.2150 -0.7334 -0.7334 0.2536 0.2536 0.2791 0.2791 4.2304 4.2304 4.3851 4.3851 5.4094 5.4094 9.8132 9.8132 10.0042 10.0042 10.9164 10.9164 12.5661 12.5661 k =-0.4681 0.5012 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0531 -8.0531 -7.9897 -7.9897 -7.8699 -7.8699 -1.2150 -1.2150 -0.7334 -0.7334 0.2536 0.2536 0.2791 0.2791 4.2304 4.2304 4.3851 4.3851 5.4094 5.4094 9.8132 9.8132 10.0042 10.0042 10.9164 10.9164 12.5661 12.5661 k =-0.4761 0.4926 0.8515 ( 2174 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9587 -9.9587 -8.0529 -8.0529 -7.9899 -7.9899 -7.8701 -7.8701 -1.2145 -1.2145 -0.7329 -0.7329 0.2536 0.2536 0.2790 0.2790 4.2456 4.2456 4.3835 4.3835 5.3864 5.3864 9.8132 9.8132 10.0045 10.0045 10.9369 10.9369 12.5634 12.5634 k =-0.4840 0.4841 0.8515 ( 2174 PWs) bands (ev): -17.3232 -17.3232 -12.0663 -12.0663 -9.9586 -9.9586 -8.0528 -8.0528 -7.9900 -7.9900 -7.8702 -7.8702 -1.2143 -1.2143 -0.7326 -0.7326 0.2535 0.2535 0.2789 0.2789 4.2569 4.2569 4.3823 4.3823 5.3694 5.3694 9.8133 9.8133 10.0047 10.0047 10.9518 10.9518 12.5614 12.5614 k =-0.4920 0.4755 0.8515 ( 2170 PWs) bands (ev): -17.3232 -17.3232 -12.0663 -12.0663 -9.9586 -9.9586 -8.0527 -8.0527 -7.9900 -7.9900 -7.8701 -7.8701 -1.2141 -1.2141 -0.7324 -0.7324 0.2535 0.2535 0.2788 0.2788 4.2639 4.2639 4.3816 4.3816 5.3590 5.3590 9.8133 9.8133 10.0049 10.0049 10.9610 10.9610 12.5601 12.5601 k =-0.5000 0.4670 0.8515 ( 2176 PWs) bands (ev): -17.3232 -17.3232 -12.0664 -12.0664 -9.9586 -9.9586 -8.0527 -8.0527 -7.9900 -7.9900 -7.8702 -7.8702 -1.2140 -1.2140 -0.7324 -0.7324 0.2535 0.2535 0.2788 0.2788 4.2663 4.2663 4.3814 4.3814 5.3554 5.3554 9.8132 9.8132 10.0049 10.0049 10.9640 10.9640 12.5597 12.5597 k =-0.5000 0.4670 0.8515 ( 2176 PWs) bands (ev): -17.3232 -17.3232 -12.0664 -12.0664 -9.9586 -9.9586 -8.0527 -8.0527 -7.9900 -7.9900 -7.8702 -7.8702 -1.2140 -1.2140 -0.7324 -0.7324 0.2535 0.2535 0.2788 0.2788 4.2663 4.2663 4.3814 4.3814 5.3554 5.3554 9.8132 9.8132 10.0049 10.0049 10.9640 10.9640 12.5597 12.5597 k =-0.5000 0.4670 0.8368 ( 2170 PWs) bands (ev): -17.3239 -17.3239 -12.0757 -12.0757 -9.9569 -9.9569 -8.0431 -8.0431 -7.9857 -7.9857 -7.8682 -7.8682 -1.2142 -1.2142 -0.7326 -0.7326 0.2500 0.2500 0.2753 0.2753 4.2713 4.2713 4.3862 4.3862 5.3551 5.3551 9.8019 9.8019 9.9942 9.9942 10.9531 10.9531 12.5659 12.5659 k =-0.5000 0.4670 0.8221 ( 2178 PWs) bands (ev): -17.3258 -17.3258 -12.1038 -12.1038 -9.9515 -9.9515 -8.0191 -8.0191 -7.9686 -7.9686 -7.8624 -7.8624 -1.2148 -1.2148 -0.7332 -0.7332 0.2395 0.2395 0.2648 0.2648 4.2860 4.2860 4.4006 4.4006 5.3541 5.3541 9.7680 9.7680 9.9625 9.9625 10.9204 10.9204 12.5838 12.5838 k =-0.5000 0.4670 0.8074 ( 2174 PWs) bands (ev): -17.3289 -17.3289 -12.1494 -12.1494 -9.9427 -9.9427 -7.9960 -7.9960 -7.9244 -7.9244 -7.8526 -7.8526 -1.2158 -1.2158 -0.7343 -0.7343 0.2221 0.2221 0.2476 0.2476 4.3103 4.3103 4.4245 4.4245 5.3523 5.3523 9.7129 9.7129 9.9107 9.9107 10.8670 10.8670 12.6120 12.6120 k =-0.5000 0.4670 0.7928 ( 2174 PWs) bands (ev): -17.3333 -17.3333 -12.2111 -12.2111 -9.9303 -9.9303 -7.9774 -7.9774 -7.8510 -7.8510 -7.8387 -7.8387 -1.2171 -1.2171 -0.7357 -0.7357 0.1982 0.1982 0.2239 0.2239 4.3439 4.3439 4.4574 4.4574 5.3499 5.3499 9.6382 9.6382 9.8403 9.8403 10.7941 10.7941 12.6484 12.6484 k =-0.5000 0.4670 0.7781 ( 2182 PWs) bands (ev): -17.3389 -17.3389 -12.2872 -12.2872 -9.9144 -9.9144 -7.9582 -7.9582 -7.8216 -7.8216 -7.7548 -7.7548 -1.2188 -1.2188 -0.7375 -0.7375 0.1681 0.1681 0.1940 0.1940 4.3864 4.3864 4.4991 4.4991 5.3469 5.3469 9.5459 9.5459 9.7531 9.7531 10.7033 10.7033 12.6902 12.6902 k =-0.5000 0.4670 0.7634 ( 2186 PWs) bands (ev): -17.3457 -17.3457 -12.3757 -12.3757 -9.8951 -9.8951 -7.9362 -7.9362 -7.8002 -7.8002 -7.6408 -7.6408 -1.2209 -1.2209 -0.7397 -0.7397 0.1322 0.1322 0.1584 0.1584 4.4372 4.4372 4.5489 4.5489 5.3433 5.3433 9.4383 9.4383 9.6510 9.6510 10.5964 10.5964 12.7348 12.7348 k =-0.5000 0.4670 0.7487 ( 2190 PWs) bands (ev): -17.3537 -17.3537 -12.4746 -12.4746 -9.8723 -9.8723 -7.9107 -7.9107 -7.7749 -7.7749 -7.5112 -7.5112 -1.2233 -1.2233 -0.7423 -0.7423 0.0910 0.0910 0.1176 0.1176 4.4958 4.4958 4.6064 4.6064 5.3391 5.3391 9.3175 9.3175 9.5358 9.5358 10.4753 10.4753 12.7796 12.7796 k =-0.5000 0.4670 0.7340 ( 2190 PWs) bands (ev): -17.3628 -17.3628 -12.5819 -12.5819 -9.8462 -9.8462 -7.8817 -7.8817 -7.7457 -7.7457 -7.3682 -7.3682 -1.2261 -1.2261 -0.7453 -0.7453 0.0451 0.0451 0.0721 0.0721 4.5614 4.5614 4.6710 4.6710 5.3344 5.3344 9.1854 9.1854 9.4091 9.4091 10.3421 10.3421 12.8221 12.8221 k =-0.5000 0.4670 0.7193 ( 2178 PWs) bands (ev): -17.3729 -17.3729 -12.6959 -12.6959 -9.8169 -9.8169 -7.8490 -7.8490 -7.7127 -7.7127 -7.2133 -7.2133 -1.2292 -1.2292 -0.7486 -0.7486 -0.0051 -0.0051 0.0225 0.0225 4.6335 4.6335 4.7419 4.7419 5.3293 5.3293 9.0438 9.0438 9.2725 9.2725 10.1985 10.1985 12.8604 12.8604 k =-0.5000 0.4670 0.7047 ( 2174 PWs) bands (ev): -17.3841 -17.3841 -12.8156 -12.8156 -9.7843 -9.7843 -7.8126 -7.8126 -7.6758 -7.6758 -7.0485 -7.0485 -1.2326 -1.2326 -0.7522 -0.7522 -0.0590 -0.0590 -0.0309 -0.0309 4.7114 4.7114 4.8185 4.8185 5.3238 5.3238 8.8941 8.8941 9.1273 9.1273 10.0456 10.0456 12.8929 12.8929 k =-0.5000 0.4670 0.6900 ( 2170 PWs) bands (ev): -17.3963 -17.3963 -12.9394 -12.9394 -9.7485 -9.7485 -7.7724 -7.7724 -7.6351 -7.6351 -6.8749 -6.8749 -1.2364 -1.2364 -0.7562 -0.7562 -0.1161 -0.1161 -0.0874 -0.0874 4.7941 4.7941 4.9001 4.9001 5.3182 5.3182 8.7379 8.7379 8.9749 8.9749 9.8852 9.8852 12.9183 12.9183 k =-0.5000 0.4670 0.6753 ( 2174 PWs) bands (ev): -17.4094 -17.4094 -13.0666 -13.0666 -9.7098 -9.7098 -7.7286 -7.7286 -7.5906 -7.5906 -6.6938 -6.6938 -1.2405 -1.2405 -0.7606 -0.7606 -0.1760 -0.1760 -0.1466 -0.1466 4.8811 4.8811 4.9858 4.9858 5.3125 5.3125 8.5762 8.5762 8.8164 8.8164 9.7184 9.7184 12.9358 12.9358 k =-0.5000 0.4670 0.6606 ( 2174 PWs) bands (ev): -17.4233 -17.4233 -13.1957 -13.1957 -9.6681 -9.6681 -7.6811 -7.6811 -7.5422 -7.5422 -6.5062 -6.5062 -1.2449 -1.2449 -0.7653 -0.7653 -0.2381 -0.2381 -0.2081 -0.2081 4.9712 4.9712 5.0746 5.0746 5.3071 5.3071 8.4103 8.4103 8.6528 8.6528 9.5465 9.5465 12.9450 12.9450 k =-0.5000 0.4670 0.6459 ( 2174 PWs) bands (ev): -17.4381 -17.4381 -13.3262 -13.3262 -9.6235 -9.6235 -7.6298 -7.6298 -7.4901 -7.4901 -6.3130 -6.3130 -1.2497 -1.2497 -0.7703 -0.7703 -0.3021 -0.3021 -0.2714 -0.2714 5.0633 5.0633 5.1652 5.1652 5.3032 5.3032 8.2413 8.2413 8.4852 8.4852 9.3703 9.3703 12.9460 12.9460 k =-0.5000 0.4670 0.6313 ( 2170 PWs) bands (ev): -17.4537 -17.4537 -13.4574 -13.4574 -9.5761 -9.5761 -7.5748 -7.5748 -7.4342 -7.4342 -6.1149 -6.1149 -1.2546 -1.2546 -0.7756 -0.7756 -0.3676 -0.3676 -0.3361 -0.3361 5.1549 5.1549 5.2514 5.2514 5.3072 5.3072 8.0704 8.0704 8.3146 8.3146 9.1908 9.1908 12.9389 12.9389 k =-0.5000 0.4670 0.6166 ( 2162 PWs) bands (ev): -17.4699 -17.4699 -13.5888 -13.5888 -9.5261 -9.5261 -7.5162 -7.5162 -7.3746 -7.3746 -5.9128 -5.9128 -1.2598 -1.2598 -0.7812 -0.7812 -0.4341 -0.4341 -0.4020 -0.4020 5.2336 5.2336 5.2983 5.2983 5.3643 5.3643 7.8990 7.8990 8.1423 8.1423 9.0086 9.0086 12.9242 12.9242 k =-0.5000 0.4670 0.6019 ( 2154 PWs) bands (ev): -17.4867 -17.4867 -13.7198 -13.7198 -9.4736 -9.4736 -7.4539 -7.4539 -7.3112 -7.3112 -5.7072 -5.7072 -1.2653 -1.2653 -0.7869 -0.7869 -0.5015 -0.5015 -0.4686 -0.4686 5.2588 5.2588 5.3647 5.3647 5.4531 5.4531 7.7287 7.7287 7.9696 7.9696 8.8245 8.8245 12.9025 12.9025 k =-0.5000 0.4670 0.5872 ( 2154 PWs) bands (ev): -17.5041 -17.5041 -13.8501 -13.8501 -9.4186 -9.4186 -7.3880 -7.3880 -7.2443 -7.2443 -5.4987 -5.4987 -1.2710 -1.2710 -0.7930 -0.7930 -0.5693 -0.5693 -0.5358 -0.5358 5.2581 5.2581 5.4512 5.4512 5.5418 5.5418 7.5620 7.5620 7.7981 7.7981 8.6391 8.6391 12.8747 12.8747 k =-0.5000 0.4670 0.5725 ( 2160 PWs) bands (ev): -17.5220 -17.5220 -13.9793 -13.9793 -9.3614 -9.3614 -7.3187 -7.3187 -7.1737 -7.1737 -5.2878 -5.2878 -1.2771 -1.2771 -0.7994 -0.7994 -0.6374 -0.6374 -0.6032 -0.6032 5.2533 5.2533 5.5355 5.5355 5.6251 5.6251 7.4019 7.4019 7.6304 7.6304 8.4527 8.4527 12.8414 12.8414 k =-0.5000 0.4670 0.5579 ( 2164 PWs) bands (ev): -17.5403 -17.5403 -14.1071 -14.1071 -9.3020 -9.3020 -7.2457 -7.2457 -7.0995 -7.0995 -5.0750 -5.0750 -1.2833 -1.2833 -0.8059 -0.8059 -0.7055 -0.7055 -0.6706 -0.6706 5.2471 5.2471 5.6109 5.6109 5.6986 5.6986 7.2534 7.2534 7.4699 7.4699 8.2660 8.2660 12.8036 12.8036 k =-0.5000 0.4670 0.5432 ( 2164 PWs) bands (ev): -17.5590 -17.5590 -14.2331 -14.2331 -9.2406 -9.2406 -7.1692 -7.1692 -7.0217 -7.0217 -4.8608 -4.8608 -1.2897 -1.2897 -0.8127 -0.8127 -0.7733 -0.7733 -0.7378 -0.7378 5.2402 5.2402 5.6704 5.6704 5.7568 5.7568 7.1233 7.1233 7.3215 7.3215 8.0794 8.0794 12.7619 12.7619 k =-0.5000 0.4670 0.5285 ( 2172 PWs) bands (ev): -17.5779 -17.5779 -14.3573 -14.3573 -9.1772 -9.1772 -7.0892 -7.0892 -6.9403 -6.9403 -4.6456 -4.6456 -1.2963 -1.2963 -0.8408 -0.8408 -0.8195 -0.8195 -0.8045 -0.8045 5.2324 5.2324 5.7045 5.7045 5.7927 5.7927 7.0209 7.0209 7.1925 7.1925 7.8932 7.8932 12.7172 12.7172 k =-0.5000 0.4670 0.5138 ( 2172 PWs) bands (ev): -17.5971 -17.5971 -14.4793 -14.4793 -9.1121 -9.1121 -7.0058 -7.0058 -6.8554 -6.8554 -4.4298 -4.4298 -1.3031 -1.3031 -0.9075 -0.9075 -0.8708 -0.8708 -0.8265 -0.8265 5.2230 5.2230 5.7025 5.7025 5.7988 5.7988 6.9556 6.9556 7.0924 7.0924 7.7079 7.7079 12.6703 12.6703 k =-0.5000 0.4670 0.4991 ( 2176 PWs) bands (ev): -17.6165 -17.6165 -14.5990 -14.5990 -9.0454 -9.0454 -6.9189 -6.9189 -6.7671 -6.7671 -4.2139 -4.2139 -1.3101 -1.3101 -0.9734 -0.9734 -0.9362 -0.9362 -0.8338 -0.8338 5.2101 5.2101 5.6592 5.6592 5.7680 5.7680 6.9324 6.9324 7.0304 7.0304 7.5238 7.5238 12.6218 12.6218 k =-0.5000 0.4670 0.4845 ( 2172 PWs) bands (ev): -17.6360 -17.6360 -14.7162 -14.7162 -8.9773 -8.9773 -6.8286 -6.8286 -6.6753 -6.6753 -3.9982 -3.9982 -1.3173 -1.3173 -1.0384 -1.0384 -1.0008 -1.0008 -0.8410 -0.8410 5.1896 5.1896 5.5810 5.5810 5.6965 5.6965 6.9480 6.9480 7.0107 7.0107 7.3413 7.3413 12.5723 12.5723 k =-0.5000 0.4670 0.4698 ( 2174 PWs) bands (ev): -17.6555 -17.6555 -14.8309 -14.8309 -8.9078 -8.9078 -6.7351 -6.7351 -6.5801 -6.5801 -3.7832 -3.7832 -1.3247 -1.3247 -1.1022 -1.1022 -1.0643 -1.0643 -0.8484 -0.8484 5.1518 5.1518 5.4872 5.4872 5.5872 5.5872 6.9932 6.9932 7.0295 7.0295 7.1614 7.1614 12.5224 12.5224 k =-0.5000 0.4670 0.4551 ( 2174 PWs) bands (ev): -17.6750 -17.6750 -14.9428 -14.9428 -8.8372 -8.8372 -6.6383 -6.6383 -6.4817 -6.4817 -3.5692 -3.5692 -1.3327 -1.3327 -1.1646 -1.1646 -1.1266 -1.1266 -0.8558 -0.8558 5.0785 5.0785 5.4040 5.4040 5.4499 5.4499 6.9782 6.9782 7.0590 7.0590 7.0841 7.0841 12.4728 12.4728 k =-0.5000 0.4670 0.4404 ( 2178 PWs) bands (ev): -17.6945 -17.6945 -15.0519 -15.0519 -8.7656 -8.7656 -6.5383 -6.5383 -6.3800 -6.3800 -3.3568 -3.3568 -1.3415 -1.3415 -1.2251 -1.2251 -1.1876 -1.1876 -0.8633 -0.8633 4.9587 4.9587 5.2825 5.2825 5.3608 5.3608 6.8038 6.8038 7.1347 7.1347 7.1566 7.1566 12.4238 12.4238 k =-0.5000 0.4670 0.4257 ( 2182 PWs) bands (ev): -17.7138 -17.7138 -15.1581 -15.1581 -8.6932 -8.6932 -6.4353 -6.4353 -6.2752 -6.2752 -3.1463 -3.1463 -1.3529 -1.3529 -1.2823 -1.2823 -1.2468 -1.2468 -0.8708 -0.8708 4.8035 4.8035 5.1078 5.1078 5.3358 5.3358 6.6307 6.6307 7.2194 7.2194 7.2437 7.2437 12.3759 12.3759 k =-0.5000 0.4670 0.4111 ( 2182 PWs) bands (ev): -17.7329 -17.7329 -15.2613 -15.2613 -8.6202 -8.6202 -6.3290 -6.3290 -6.1671 -6.1671 -2.9381 -2.9381 -1.3743 -1.3743 -1.3301 -1.3301 -1.3024 -1.3024 -0.8783 -0.8783 4.6281 4.6281 4.9219 4.9219 5.3258 5.3258 6.4607 6.4607 7.3109 7.3109 7.3377 7.3377 12.3296 12.3296 k =-0.5000 0.4670 0.3964 ( 2182 PWs) bands (ev): -17.7519 -17.7519 -15.3613 -15.3613 -8.5468 -8.5468 -6.2198 -6.2198 -6.0561 -6.0561 -2.7327 -2.7327 -1.4172 -1.4172 -1.3710 -1.3710 -1.3406 -1.3406 -0.8858 -0.8858 4.4414 4.4414 4.7287 4.7287 5.3232 5.3232 6.2947 6.2947 7.4069 7.4069 7.4352 7.4352 12.2852 12.2852 k =-0.5000 0.4670 0.3817 ( 2184 PWs) bands (ev): -17.7705 -17.7705 -15.4582 -15.4582 -8.4731 -8.4731 -6.1077 -6.1077 -5.9421 -5.9421 -2.5305 -2.5305 -1.4694 -1.4694 -1.4230 -1.4230 -1.3553 -1.3553 -0.8933 -0.8933 4.2479 4.2479 4.5307 4.5307 5.3245 5.3245 6.1334 6.1334 7.5054 7.5054 7.5340 7.5340 12.2431 12.2431 k =-0.5000 0.4670 0.3670 ( 2182 PWs) bands (ev): -17.7888 -17.7888 -15.5518 -15.5518 -8.3993 -8.3993 -5.9928 -5.9928 -5.8252 -5.8252 -2.3320 -2.3320 -1.5226 -1.5226 -1.4762 -1.4762 -1.3647 -1.3647 -0.9007 -0.9007 4.0500 4.0500 4.3292 4.3292 5.3270 5.3270 5.9784 5.9784 7.6048 7.6048 7.6328 7.6328 12.2035 12.2035 k =-0.5000 0.4670 0.3523 ( 2182 PWs) bands (ev): -17.8068 -17.8068 -15.6421 -15.6421 -8.3257 -8.3257 -5.8751 -5.8751 -5.7055 -5.7055 -2.1376 -2.1376 -1.5750 -1.5750 -1.5282 -1.5282 -1.3727 -1.3727 -0.9080 -0.9080 3.8495 3.8495 4.1255 4.1255 5.3276 5.3276 5.8325 5.8325 7.7041 7.7041 7.7306 7.7306 12.1667 12.1667 k =-0.5000 0.4670 0.3377 ( 2182 PWs) bands (ev): -17.8243 -17.8243 -15.7291 -15.7291 -8.2524 -8.2524 -5.7548 -5.7548 -5.5833 -5.5833 -1.9478 -1.9478 -1.6261 -1.6261 -1.5788 -1.5788 -1.3800 -1.3800 -0.9152 -0.9152 3.6473 3.6473 3.9205 3.9205 5.3194 5.3194 5.7024 5.7024 7.8022 7.8022 7.8265 7.8265 12.1330 12.1330 k =-0.5000 0.4670 0.3230 ( 2180 PWs) bands (ev): -17.8414 -17.8414 -15.8126 -15.8126 -8.1797 -8.1797 -5.6321 -5.6321 -5.4585 -5.4585 -1.7632 -1.7632 -1.6756 -1.6756 -1.6278 -1.6278 -1.3868 -1.3868 -0.9223 -0.9223 3.4442 3.4442 3.7147 3.7147 5.2881 5.2881 5.6027 5.6027 7.8985 7.8985 7.9200 7.9200 12.1025 12.1025 k =-0.5000 0.4670 0.3083 ( 2180 PWs) bands (ev): -17.8579 -17.8579 -15.8927 -15.8927 -8.1078 -8.1078 -5.5071 -5.5071 -5.3314 -5.3314 -1.7239 -1.7239 -1.6752 -1.6752 -1.5839 -1.5839 -1.3932 -1.3932 -0.9293 -0.9293 3.2411 3.2411 3.5088 3.5088 5.2172 5.2172 5.5498 5.5498 7.9922 7.9922 8.0104 8.0104 12.0754 12.0754 k =-0.5000 0.4670 0.2936 ( 2176 PWs) bands (ev): -17.8740 -17.8740 -15.9692 -15.9692 -8.0369 -8.0369 -5.3798 -5.3798 -5.2020 -5.2020 -1.7703 -1.7703 -1.7208 -1.7208 -1.4167 -1.4167 -1.3935 -1.3935 -0.9360 -0.9360 3.0383 3.0383 3.3033 3.3033 5.1133 5.1133 5.5373 5.5373 8.0829 8.0829 8.0976 8.0976 12.0517 12.0517 k =-0.5000 0.4670 0.2789 ( 2180 PWs) bands (ev): -17.8894 -17.8894 -16.0422 -16.0422 -7.9672 -7.9672 -5.2506 -5.2506 -5.0708 -5.0708 -1.8151 -1.8151 -1.7646 -1.7646 -1.4070 -1.4070 -1.2425 -1.2425 -0.9426 -0.9426 2.8364 2.8364 3.0986 3.0986 4.9949 4.9949 5.5467 5.5467 8.1698 8.1698 8.1812 8.1812 12.0316 12.0316 k =-0.5000 0.4670 0.2643 ( 2184 PWs) bands (ev): -17.9043 -17.9043 -16.1118 -16.1118 -7.8990 -7.8990 -5.1196 -5.1196 -4.9376 -4.9376 -1.8583 -1.8583 -1.8068 -1.8068 -1.4125 -1.4125 -1.0831 -1.0831 -0.9485 -0.9485 2.6359 2.6359 2.8953 2.8953 4.8730 4.8730 5.5673 5.5673 8.2521 8.2521 8.2614 8.2614 12.0149 12.0149 k =-0.5000 0.4670 0.2496 ( 2186 PWs) bands (ev): -17.9186 -17.9186 -16.1777 -16.1777 -7.8325 -7.8325 -4.9871 -4.9871 -4.8030 -4.8030 -1.8999 -1.8999 -1.8472 -1.8472 -1.4179 -1.4179 -0.9599 -0.9599 -0.9250 -0.9250 2.4372 2.4372 2.6938 2.6938 4.7522 4.7522 5.5944 5.5944 8.3288 8.3288 8.3389 8.3389 12.0018 12.0018 k =-0.5000 0.4670 0.2349 ( 2186 PWs) bands (ev): -17.9322 -17.9322 -16.2400 -16.2400 -7.7680 -7.7680 -4.8532 -4.8532 -4.6670 -4.6670 -1.9400 -1.9400 -1.8859 -1.8859 -1.4230 -1.4230 -0.9625 -0.9625 -0.7829 -0.7829 2.2410 2.2410 2.4947 2.4947 4.6348 4.6348 5.6259 5.6259 8.3995 8.3995 8.4132 8.4132 11.9920 11.9920 k =-0.5000 0.4670 0.2202 ( 2186 PWs) bands (ev): -17.9451 -17.9451 -16.2986 -16.2986 -7.7057 -7.7057 -4.7184 -4.7184 -4.5301 -4.5301 -1.9785 -1.9785 -1.9229 -1.9229 -1.4279 -1.4279 -0.9680 -0.9680 -0.6456 -0.6456 2.0476 2.0476 2.2984 2.2984 4.5218 4.5218 5.6606 5.6606 8.4648 8.4648 8.4837 8.4837 11.9853 11.9853 k =-0.5000 0.4670 0.2055 ( 2186 PWs) bands (ev): -17.9572 -17.9572 -16.3534 -16.3534 -7.6458 -7.6458 -4.5830 -4.5830 -4.3926 -4.3926 -2.0157 -2.0157 -1.9582 -1.9582 -1.4323 -1.4323 -0.9734 -0.9734 -0.5162 -0.5162 1.8577 1.8577 2.1055 2.1055 4.4141 4.4141 5.6977 5.6977 8.5249 8.5249 8.5498 8.5498 11.9816 11.9816 k =-0.5000 0.4670 0.1908 ( 2196 PWs) bands (ev): -17.9687 -17.9687 -16.4047 -16.4047 -7.5887 -7.5887 -4.4474 -4.4474 -4.2551 -4.2551 -2.0516 -2.0516 -1.9920 -1.9920 -1.4364 -1.4364 -0.9786 -0.9786 -0.3952 -0.3952 1.6719 1.6719 1.9166 1.9166 4.3121 4.3121 5.7363 5.7363 8.5800 8.5800 8.6112 8.6112 11.9806 11.9806 k =-0.5000 0.4670 0.1762 ( 2192 PWs) bands (ev): -17.9793 -17.9793 -16.4522 -16.4522 -7.5346 -7.5346 -4.3122 -4.3122 -4.1179 -4.1179 -2.0863 -2.0863 -2.0243 -2.0243 -1.4400 -1.4400 -0.9835 -0.9835 -0.2828 -0.2828 1.4910 1.4910 1.7327 1.7327 4.2162 4.2162 5.7760 5.7760 8.6302 8.6302 8.6678 8.6678 11.9819 11.9819 k =-0.5000 0.4670 0.1615 ( 2190 PWs) bands (ev): -17.9892 -17.9892 -16.4959 -16.4959 -7.4837 -7.4837 -4.1778 -4.1778 -3.9816 -3.9816 -2.1199 -2.1199 -2.0552 -2.0552 -1.4431 -1.4431 -0.9880 -0.9880 -0.1792 -0.1792 1.3158 1.3158 1.5543 1.5543 4.1269 4.1269 5.8161 5.8161 8.6755 8.6755 8.7196 8.7196 11.9853 11.9853 k =-0.5000 0.4670 0.1468 ( 2192 PWs) bands (ev): -17.9983 -17.9983 -16.5360 -16.5360 -7.4362 -7.4362 -4.0452 -4.0452 -3.8473 -3.8473 -2.1528 -2.1528 -2.0849 -2.0849 -1.4457 -1.4457 -0.9923 -0.9923 -0.0846 -0.0846 1.1472 1.1472 1.3827 1.3827 4.0443 4.0443 5.8559 5.8559 8.7161 8.7161 8.7665 8.7665 11.9902 11.9902 k =-0.5000 0.4670 0.1321 ( 2192 PWs) bands (ev): -18.0066 -18.0066 -16.5723 -16.5723 -7.3924 -7.3924 -3.9150 -3.9150 -3.7155 -3.7155 -2.1851 -2.1851 -2.1134 -2.1134 -1.4477 -1.4477 -0.9962 -0.9962 0.0010 0.0010 0.9864 0.9864 1.2188 1.2188 3.9688 3.9688 5.8947 5.8947 8.7521 8.7521 8.8086 8.8086 11.9963 11.9963 k =-0.5000 0.4670 0.1174 ( 2192 PWs) bands (ev): -18.0141 -18.0141 -16.6047 -16.6047 -7.3526 -7.3526 -3.7885 -3.7885 -3.5875 -3.5875 -2.2170 -2.2170 -2.1410 -2.1410 -1.4491 -1.4491 -0.9997 -0.9997 0.0775 0.0775 0.8347 0.8347 1.0642 1.0642 3.9005 3.9005 5.9318 5.9318 8.7836 8.7836 8.8459 8.8459 12.0032 12.0032 k =-0.5000 0.4670 0.1028 ( 2200 PWs) bands (ev): -18.0207 -18.0207 -16.6334 -16.6334 -7.3169 -7.3169 -3.6670 -3.6670 -3.4647 -3.4647 -2.2488 -2.2488 -2.1677 -2.1677 -1.4501 -1.4501 -1.0029 -1.0029 0.1449 0.1449 0.6937 0.6937 0.9203 0.9203 3.8398 3.8398 5.9667 5.9667 8.8109 8.8109 8.8785 8.8785 12.0104 12.0104 k =-0.5000 0.4670 0.0881 ( 2196 PWs) bands (ev): -18.0264 -18.0264 -16.6582 -16.6582 -7.2856 -7.2856 -3.5520 -3.5520 -3.3484 -3.3484 -2.2806 -2.2806 -2.1936 -2.1936 -1.4504 -1.4504 -1.0056 -1.0056 0.2032 0.2032 0.5651 0.5651 0.7890 0.7890 3.7868 3.7868 5.9985 5.9985 8.8341 8.8341 8.9066 8.9066 12.0176 12.0176 k =-0.5000 0.4670 0.0734 ( 2188 PWs) bands (ev): -18.0313 -18.0313 -16.6793 -16.6793 -7.2587 -7.2587 -3.4456 -3.4456 -3.2406 -3.2406 -2.3122 -2.3122 -2.2187 -2.2187 -1.4501 -1.4501 -1.0079 -1.0079 0.2522 0.2522 0.4510 0.4510 0.6723 0.6723 3.7417 3.7417 6.0267 6.0267 8.8535 8.8535 8.9301 8.9301 12.0244 12.0244 k =-0.5000 0.4670 0.0587 ( 2192 PWs) bands (ev): -18.0353 -18.0353 -16.6965 -16.6965 -7.2365 -7.2365 -3.3506 -3.3506 -3.1442 -3.1442 -2.3432 -2.3432 -2.2425 -2.2425 -1.4496 -1.4496 -1.0098 -1.0098 0.2911 0.2911 0.3545 0.3545 0.5724 0.5724 3.7046 3.7046 6.0506 6.0506 8.8690 8.8690 8.9492 8.9492 12.0304 12.0304 k =-0.5000 0.4670 0.0440 ( 2188 PWs) bands (ev): -18.0384 -18.0384 -16.7099 -16.7099 -7.2191 -7.2191 -3.2700 -3.2700 -3.0617 -3.0617 -2.3724 -2.3724 -2.2642 -2.2642 -1.4488 -1.4488 -1.0113 -1.0113 0.2710 0.2710 0.3266 0.3266 0.4917 0.4917 3.6756 3.6756 6.0698 6.0698 8.8810 8.8810 8.9640 8.9640 12.0354 12.0354 k =-0.5000 0.4670 0.0294 ( 2180 PWs) bands (ev): -18.0407 -18.0407 -16.7195 -16.7195 -7.2066 -7.2066 -3.2076 -3.2076 -2.9974 -2.9974 -2.3974 -2.3974 -2.2822 -2.2822 -1.4479 -1.4479 -1.0123 -1.0123 0.2139 0.2139 0.3476 0.3476 0.4321 0.4321 3.6548 3.6548 6.0838 6.0838 8.8895 8.8895 8.9745 8.9745 12.0392 12.0392 k =-0.5000 0.4670 0.0147 ( 2184 PWs) bands (ev): -18.0420 -18.0420 -16.7253 -16.7253 -7.1991 -7.1991 -3.1679 -3.1679 -2.9558 -2.9558 -2.4149 -2.4149 -2.2943 -2.2943 -1.4474 -1.4474 -1.0130 -1.0130 0.1783 0.1783 0.3607 0.3607 0.3956 0.3956 3.6423 3.6423 6.0924 6.0924 8.8945 8.8945 8.9808 8.9808 12.0415 12.0415 k =-0.5000 0.4670 0.0000 ( 2184 PWs) bands (ev): -18.0425 -18.0425 -16.7271 -16.7271 -7.1966 -7.1966 -3.1542 -3.1542 -2.9413 -2.9413 -2.4213 -2.4213 -2.2987 -2.2987 -1.4472 -1.4472 -1.0132 -1.0132 0.1662 0.1662 0.3651 0.3651 0.3833 0.3833 3.6381 3.6381 6.0953 6.0953 8.8962 8.8962 8.9829 8.9829 12.0423 12.0423 k = 0.0000 0.0000 0.8515 ( 2184 PWs) bands (ev): -17.3268 -17.3268 -12.0672 -12.0672 -9.9714 -9.9714 -8.0677 -8.0677 -7.9749 -7.9749 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2921 0.2921 0.3235 0.3235 4.5322 4.5322 4.6136 4.6136 4.7058 4.7058 9.9444 9.9444 10.1392 10.1392 11.4804 11.4804 12.7568 12.7568 k =-0.0106 0.0099 0.8515 ( 2186 PWs) bands (ev): -17.3268 -17.3268 -12.0672 -12.0672 -9.9713 -9.9713 -8.0677 -8.0677 -7.9750 -7.9750 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2921 0.2921 0.3235 0.3235 4.5319 4.5319 4.5900 4.5900 4.7310 4.7310 9.9441 9.9441 10.1388 10.1388 11.4767 11.4767 12.7593 12.7593 k =-0.0213 0.0199 0.8515 ( 2182 PWs) bands (ev): -17.3267 -17.3267 -12.0671 -12.0671 -9.9713 -9.9713 -8.0677 -8.0677 -7.9750 -7.9750 -7.8544 -7.8544 -1.2408 -1.2408 -0.7618 -0.7618 0.2919 0.2919 0.3233 0.3233 4.5306 4.5306 4.5473 4.5473 4.7791 4.7791 9.9431 9.9431 10.1379 10.1379 11.4657 11.4657 12.7667 12.7667 k =-0.0319 0.0298 0.8515 ( 2190 PWs) bands (ev): -17.3267 -17.3267 -12.0671 -12.0671 -9.9712 -9.9712 -8.0677 -8.0677 -7.9751 -7.9751 -7.8545 -7.8545 -1.2408 -1.2408 -0.7619 -0.7619 0.2917 0.2917 0.3229 0.3229 4.5001 4.5001 4.5303 4.5303 4.8330 4.8330 9.9415 9.9415 10.1362 10.1362 11.4474 11.4474 12.7789 12.7789 k =-0.0426 0.0397 0.8515 ( 2190 PWs) bands (ev): -17.3267 -17.3267 -12.0671 -12.0671 -9.9711 -9.9711 -8.0676 -8.0676 -7.9752 -7.9752 -7.8546 -7.8546 -1.2408 -1.2408 -0.7619 -0.7619 0.2914 0.2914 0.3225 0.3225 4.4548 4.4548 4.5281 4.5281 4.8895 4.8895 9.9392 9.9392 10.1340 10.1340 11.4222 11.4222 12.7959 12.7959 k =-0.0532 0.0497 0.8515 ( 2190 PWs) bands (ev): -17.3267 -17.3267 -12.0671 -12.0671 -9.9709 -9.9709 -8.0675 -8.0675 -7.9753 -7.9753 -7.8547 -7.8547 -1.2407 -1.2407 -0.7619 -0.7619 0.2909 0.2909 0.3219 0.3219 4.4107 4.4107 4.5256 4.5256 4.9475 4.9475 9.9364 9.9364 10.1312 10.1312 11.3905 11.3905 12.8177 12.8177 k =-0.0638 0.0596 0.8515 ( 2190 PWs) bands (ev): -17.3266 -17.3266 -12.0671 -12.0671 -9.9707 -9.9707 -8.0674 -8.0674 -7.9754 -7.9754 -7.8548 -7.8548 -1.2406 -1.2406 -0.7620 -0.7620 0.2904 0.2904 0.3212 0.3212 4.3684 4.3684 4.5226 4.5226 5.0067 5.0067 9.9329 9.9329 10.1280 10.1280 11.3526 11.3526 12.8441 12.8441 k =-0.0745 0.0696 0.8515 ( 2194 PWs) bands (ev): -17.3266 -17.3266 -12.0671 -12.0671 -9.9705 -9.9705 -8.0673 -8.0673 -7.9756 -7.9756 -7.8550 -7.8550 -1.2405 -1.2405 -0.7620 -0.7620 0.2898 0.2898 0.3204 0.3204 4.3281 4.3281 4.5191 4.5191 5.0665 5.0665 9.9289 9.9289 10.1242 10.1242 11.3091 11.3091 12.8750 12.8750 k =-0.0851 0.0795 0.8515 ( 2198 PWs) bands (ev): -17.3265 -17.3265 -12.0671 -12.0671 -9.9703 -9.9703 -8.0672 -8.0672 -7.9757 -7.9757 -7.8551 -7.8551 -1.2404 -1.2404 -0.7620 -0.7620 0.2891 0.2891 0.3195 0.3195 4.2899 4.2899 4.5151 4.5151 5.1266 5.1266 9.9245 9.9245 10.1201 10.1201 11.2606 11.2606 12.9103 12.9103 k =-0.0957 0.0894 0.8515 ( 2190 PWs) bands (ev): -17.3265 -17.3265 -12.0670 -12.0670 -9.9700 -9.9700 -8.0670 -8.0670 -7.9759 -7.9759 -7.8552 -7.8552 -1.2402 -1.2402 -0.7619 -0.7619 0.2884 0.2884 0.3184 0.3184 4.2539 4.2539 4.5106 4.5106 5.1869 5.1869 9.9196 9.9196 10.1157 10.1157 11.2077 11.2077 12.9498 12.9498 k =-0.1064 0.0994 0.8515 ( 2190 PWs) bands (ev): -17.3264 -17.3264 -12.0670 -12.0670 -9.9697 -9.9697 -8.0669 -8.0669 -7.9761 -7.9761 -7.8554 -7.8554 -1.2400 -1.2400 -0.7618 -0.7618 0.2875 0.2875 0.3173 0.3173 4.2202 4.2202 4.5056 4.5056 5.2470 5.2470 9.9143 9.9143 10.1111 10.1111 11.1513 11.1513 12.9934 12.9934 k =-0.1170 0.1093 0.8515 ( 2186 PWs) bands (ev): -17.3263 -17.3263 -12.0669 -12.0669 -9.9694 -9.9694 -8.0667 -8.0667 -7.9763 -7.9763 -7.8556 -7.8556 -1.2397 -1.2397 -0.7617 -0.7617 0.2866 0.2866 0.3161 0.3161 4.1889 4.1889 4.5002 4.5002 5.3064 5.3064 9.9087 9.9087 10.1062 10.1062 11.0919 11.0919 13.0409 13.0409 k =-0.1277 0.1192 0.8515 ( 2186 PWs) bands (ev): -17.3262 -17.3262 -12.0669 -12.0669 -9.9690 -9.9690 -8.0665 -8.0665 -7.9765 -7.9765 -7.8559 -7.8559 -1.2395 -1.2395 -0.7615 -0.7615 0.2857 0.2857 0.3149 0.3149 4.1599 4.1599 4.4943 4.4943 5.3650 5.3650 9.9029 9.9029 10.1012 10.1012 11.0305 11.0305 13.0922 13.0922 k =-0.1383 0.1292 0.8515 ( 2186 PWs) bands (ev): -17.3262 -17.3262 -12.0669 -12.0669 -9.9687 -9.9687 -8.0662 -8.0662 -7.9768 -7.9768 -7.8562 -7.8562 -1.2392 -1.2392 -0.7613 -0.7613 0.2846 0.2846 0.3135 0.3135 4.1334 4.1334 4.4881 4.4881 5.4224 5.4224 9.8969 9.8969 10.0961 10.0961 10.9677 10.9677 13.1470 13.1470 k =-0.1489 0.1391 0.8515 ( 2186 PWs) bands (ev): -17.3261 -17.3261 -12.0669 -12.0669 -9.9683 -9.9683 -8.0660 -8.0660 -7.9771 -7.9771 -7.8565 -7.8565 -1.2388 -1.2388 -0.7611 -0.7611 0.2835 0.2835 0.3121 0.3121 4.1093 4.1093 4.4814 4.4814 5.4781 5.4781 9.8907 9.8907 10.0910 10.0910 10.9046 10.9046 13.2053 13.2053 k =-0.1596 0.1490 0.8515 ( 2182 PWs) bands (ev): -17.3260 -17.3260 -12.0668 -12.0668 -9.9679 -9.9679 -8.0657 -8.0657 -7.9774 -7.9774 -7.8568 -7.8568 -1.2384 -1.2384 -0.7607 -0.7607 0.2824 0.2824 0.3107 0.3107 4.0878 4.0878 4.4744 4.4744 5.5317 5.5317 9.8846 9.8846 10.0858 10.0858 10.8417 10.8417 13.2668 13.2668 k =-0.1702 0.1590 0.8515 ( 2178 PWs) bands (ev): -17.3259 -17.3259 -12.0667 -12.0667 -9.9674 -9.9674 -8.0654 -8.0654 -7.9777 -7.9777 -7.8571 -7.8571 -1.2379 -1.2379 -0.7602 -0.7602 0.2812 0.2812 0.3092 0.3092 4.0687 4.0687 4.4670 4.4670 5.5829 5.5829 9.8785 9.8785 10.0807 10.0807 10.7801 10.7801 13.3314 13.3314 k =-0.1809 0.1689 0.8515 ( 2178 PWs) bands (ev): -17.3258 -17.3258 -12.0667 -12.0667 -9.9670 -9.9670 -8.0651 -8.0651 -7.9781 -7.9781 -7.8575 -7.8575 -1.2374 -1.2374 -0.7598 -0.7598 0.2800 0.2800 0.3077 0.3077 4.0521 4.0521 4.4593 4.4593 5.6312 5.6312 9.8724 9.8724 10.0756 10.0756 10.7204 10.7204 13.3985 13.3985 k =-0.1915 0.1789 0.8515 ( 2178 PWs) bands (ev): -17.3257 -17.3257 -12.0667 -12.0667 -9.9666 -9.9666 -8.0647 -8.0647 -7.9785 -7.9785 -7.8579 -7.8579 -1.2368 -1.2368 -0.7592 -0.7592 0.2787 0.2787 0.3062 0.3062 4.0380 4.0380 4.4513 4.4513 5.6762 5.6762 9.8666 9.8666 10.0706 10.0706 10.6635 10.6635 13.4676 13.4676 k =-0.2021 0.1888 0.8515 ( 2174 PWs) bands (ev): -17.3256 -17.3256 -12.0666 -12.0666 -9.9662 -9.9662 -8.0643 -8.0643 -7.9789 -7.9789 -7.8583 -7.8583 -1.2362 -1.2362 -0.7586 -0.7586 0.2774 0.2774 0.3047 0.3047 4.0265 4.0265 4.4431 4.4431 5.7175 5.7175 9.8609 9.8609 10.0657 10.0657 10.6103 10.6103 13.5347 13.5347 k =-0.2128 0.1987 0.8515 ( 2174 PWs) bands (ev): -17.3254 -17.3254 -12.0666 -12.0666 -9.9657 -9.9657 -8.0640 -8.0640 -7.9793 -7.9793 -7.8588 -7.8588 -1.2356 -1.2356 -0.7579 -0.7579 0.2761 0.2761 0.3031 0.3031 4.0174 4.0174 4.4347 4.4347 5.7545 5.7545 9.8555 9.8555 10.0609 10.0609 10.5611 10.5611 13.5608 13.5608 k =-0.2234 0.2087 0.8515 ( 2184 PWs) bands (ev): -17.3253 -17.3253 -12.0666 -12.0666 -9.9653 -9.9653 -8.0635 -8.0635 -7.9798 -7.9798 -7.8593 -7.8593 -1.2350 -1.2350 -0.7572 -0.7572 0.2748 0.2748 0.3016 0.3016 4.0108 4.0108 4.4261 4.4261 5.7870 5.7870 9.8504 9.8504 10.0562 10.0562 10.5168 10.5168 13.5309 13.5309 k =-0.2340 0.2186 0.8515 ( 2180 PWs) bands (ev): -17.3252 -17.3252 -12.0666 -12.0666 -9.9648 -9.9648 -8.0631 -8.0631 -7.9803 -7.9803 -7.8598 -7.8598 -1.2342 -1.2342 -0.7563 -0.7563 0.2735 0.2735 0.3001 0.3001 4.0067 4.0067 4.4174 4.4174 5.8146 5.8146 9.8456 9.8456 10.0517 10.0517 10.4780 10.4780 13.4941 13.4941 k =-0.2447 0.2285 0.8515 ( 2180 PWs) bands (ev): -17.3251 -17.3251 -12.0665 -12.0665 -9.9644 -9.9644 -8.0626 -8.0626 -7.9808 -7.9808 -7.8603 -7.8603 -1.2333 -1.2333 -0.7553 -0.7553 0.2722 0.2722 0.2985 0.2985 4.0050 4.0050 4.4085 4.4085 5.8369 5.8369 9.8413 9.8413 10.0474 10.0474 10.4452 10.4452 13.4567 13.4567 k =-0.2553 0.2385 0.8515 ( 2178 PWs) bands (ev): -17.3250 -17.3250 -12.0664 -12.0664 -9.9640 -9.9640 -8.0622 -8.0622 -7.9812 -7.9812 -7.8608 -7.8608 -1.2325 -1.2325 -0.7543 -0.7543 0.2709 0.2709 0.2971 0.2971 4.0058 4.0058 4.3996 4.3996 5.8537 5.8537 9.8373 9.8373 10.0433 10.0433 10.4189 10.4189 13.4195 13.4195 k =-0.2660 0.2484 0.8515 ( 2174 PWs) bands (ev): -17.3249 -17.3249 -12.0664 -12.0664 -9.9636 -9.9636 -8.0617 -8.0617 -7.9817 -7.9817 -7.8613 -7.8613 -1.2315 -1.2315 -0.7532 -0.7532 0.2696 0.2696 0.2956 0.2956 4.0089 4.0089 4.3907 4.3907 5.8648 5.8648 9.8336 9.8336 10.0393 10.0393 10.3992 10.3992 13.3827 13.3827 k =-0.2766 0.2583 0.8515 ( 2174 PWs) bands (ev): -17.3247 -17.3247 -12.0664 -12.0664 -9.9632 -9.9632 -8.0611 -8.0611 -7.9822 -7.9822 -7.8619 -7.8619 -1.2305 -1.2305 -0.7521 -0.7521 0.2684 0.2684 0.2942 0.2942 4.0144 4.0144 4.3818 4.3818 5.8702 5.8702 9.8304 9.8304 10.0356 10.0356 10.3865 10.3865 13.3461 13.3461 k =-0.2872 0.2683 0.8515 ( 2174 PWs) bands (ev): -17.3246 -17.3246 -12.0664 -12.0664 -9.9628 -9.9628 -8.0606 -8.0606 -7.9828 -7.9828 -7.8625 -7.8625 -1.2295 -1.2295 -0.7509 -0.7509 0.2671 0.2671 0.2928 0.2928 4.0222 4.0222 4.3730 4.3730 5.8699 5.8699 9.8275 9.8275 10.0321 10.0321 10.3808 10.3808 13.3095 13.3095 k =-0.2979 0.2782 0.8515 ( 2170 PWs) bands (ev): -17.3245 -17.3245 -12.0663 -12.0663 -9.9624 -9.9624 -8.0601 -8.0601 -7.9833 -7.9833 -7.8631 -7.8631 -1.2284 -1.2284 -0.7496 -0.7496 0.2659 0.2659 0.2915 0.2915 4.0322 4.0322 4.3642 4.3642 5.8639 5.8639 9.8249 9.8249 10.0288 10.0288 10.3820 10.3820 13.2725 13.2725 k =-0.3085 0.2882 0.8515 ( 2172 PWs) bands (ev): -17.3244 -17.3244 -12.0663 -12.0663 -9.9620 -9.9620 -8.0595 -8.0595 -7.9839 -7.9839 -7.8637 -7.8637 -1.2274 -1.2274 -0.7484 -0.7484 0.2648 0.2648 0.2903 0.2903 4.0443 4.0443 4.3556 4.3556 5.8525 5.8525 9.8228 9.8228 10.0258 10.0258 10.3901 10.3901 13.2349 13.2349 k =-0.3191 0.2981 0.8515 ( 2168 PWs) bands (ev): -17.3243 -17.3243 -12.0663 -12.0663 -9.9616 -9.9616 -8.0590 -8.0590 -7.9844 -7.9844 -7.8642 -7.8642 -1.2263 -1.2263 -0.7470 -0.7470 0.2636 0.2636 0.2891 0.2891 4.0585 4.0585 4.3472 4.3472 5.8360 5.8360 9.8209 9.8209 10.0230 10.0230 10.4047 10.4047 13.1962 13.1962 k =-0.3298 0.3080 0.8515 ( 2168 PWs) bands (ev): -17.3242 -17.3242 -12.0663 -12.0663 -9.9613 -9.9613 -8.0584 -8.0584 -7.9849 -7.9849 -7.8648 -7.8648 -1.2252 -1.2252 -0.7457 -0.7457 0.2626 0.2626 0.2879 0.2879 4.0747 4.0747 4.3390 4.3390 5.8147 5.8147 9.8193 9.8193 10.0204 10.0204 10.4256 10.4256 13.1559 13.1559 k =-0.3404 0.3180 0.8515 ( 2168 PWs) bands (ev): -17.3241 -17.3241 -12.0663 -12.0663 -9.9610 -9.9610 -8.0579 -8.0579 -7.9854 -7.9854 -7.8653 -7.8653 -1.2242 -1.2242 -0.7445 -0.7445 0.2615 0.2615 0.2868 0.2868 4.0927 4.0927 4.3311 4.3311 5.7892 5.7892 9.8179 9.8179 10.0181 10.0181 10.4520 10.4520 13.1139 13.1139 k =-0.3511 0.3279 0.8515 ( 2164 PWs) bands (ev): -17.3240 -17.3240 -12.0663 -12.0663 -9.9607 -9.9607 -8.0573 -8.0573 -7.9859 -7.9859 -7.8658 -7.8658 -1.2231 -1.2231 -0.7431 -0.7431 0.2605 0.2605 0.2858 0.2858 4.1125 4.1125 4.3235 4.3235 5.7599 5.7599 9.8168 9.8168 10.0160 10.0160 10.4836 10.4836 13.0701 13.0701 k =-0.3617 0.3378 0.8515 ( 2164 PWs) bands (ev): -17.3239 -17.3239 -12.0663 -12.0663 -9.9604 -9.9604 -8.0568 -8.0568 -7.9863 -7.9863 -7.8664 -7.8664 -1.2220 -1.2220 -0.7419 -0.7419 0.2596 0.2596 0.2848 0.2848 4.1337 4.1337 4.3163 4.3163 5.7274 5.7274 9.8159 9.8159 10.0142 10.0142 10.5196 10.5196 13.0244 13.0244 k =-0.3723 0.3478 0.8515 ( 2168 PWs) bands (ev): -17.3238 -17.3238 -12.0663 -12.0663 -9.9602 -9.9602 -8.0563 -8.0563 -7.9869 -7.9869 -7.8669 -7.8669 -1.2210 -1.2210 -0.7407 -0.7407 0.2587 0.2587 0.2839 0.2839 4.1563 4.1563 4.3094 4.3094 5.6924 5.6924 9.8152 9.8152 10.0125 10.0125 10.5592 10.5592 12.9774 12.9774 k =-0.3830 0.3577 0.8515 ( 2168 PWs) bands (ev): -17.3237 -17.3237 -12.0663 -12.0663 -9.9599 -9.9599 -8.0557 -8.0557 -7.9873 -7.9873 -7.8674 -7.8674 -1.2200 -1.2200 -0.7395 -0.7395 0.2579 0.2579 0.2831 0.2831 4.1800 4.1800 4.3029 4.3029 5.6555 5.6555 9.8146 9.8146 10.0110 10.0110 10.6018 10.6018 12.9293 12.9293 k =-0.3936 0.3676 0.8515 ( 2170 PWs) bands (ev): -17.3236 -17.3236 -12.0663 -12.0663 -9.9597 -9.9597 -8.0553 -8.0553 -7.9878 -7.9878 -7.8678 -7.8678 -1.2191 -1.2191 -0.7384 -0.7384 0.2572 0.2572 0.2824 0.2824 4.2044 4.2044 4.2969 4.2969 5.6174 5.6174 9.8142 9.8142 10.0098 10.0098 10.6462 10.6462 12.8808 12.8808 k =-0.4043 0.3776 0.8515 ( 2174 PWs) bands (ev): -17.3236 -17.3236 -12.0663 -12.0663 -9.9595 -9.9595 -8.0548 -8.0548 -7.9882 -7.9882 -7.8683 -7.8683 -1.2182 -1.2182 -0.7373 -0.7373 0.2565 0.2565 0.2817 0.2817 4.2292 4.2292 4.2914 4.2914 5.5790 5.5790 9.8138 9.8138 10.0087 10.0087 10.6918 10.6918 12.8325 12.8325 k =-0.4149 0.3875 0.8515 ( 2170 PWs) bands (ev): -17.3235 -17.3235 -12.0663 -12.0663 -9.9593 -9.9593 -8.0544 -8.0544 -7.9885 -7.9885 -7.8686 -7.8686 -1.2174 -1.2174 -0.7363 -0.7363 0.2559 0.2559 0.2811 0.2811 4.2540 4.2540 4.2866 4.2866 5.5409 5.5409 9.8136 9.8136 10.0078 10.0078 10.7375 10.7375 12.7853 12.7853 k =-0.4255 0.3975 0.8515 ( 2170 PWs) bands (ev): -17.3234 -17.3234 -12.0663 -12.0663 -9.9592 -9.9592 -8.0540 -8.0540 -7.9889 -7.9889 -7.8690 -7.8690 -1.2166 -1.2166 -0.7354 -0.7354 0.2553 0.2553 0.2806 0.2806 4.2763 4.2763 4.2841 4.2841 5.5040 5.5040 9.8135 9.8135 10.0070 10.0070 10.7820 10.7820 12.7400 12.7400 k =-0.4362 0.4074 0.8515 ( 2170 PWs) bands (ev): -17.3234 -17.3234 -12.0663 -12.0663 -9.9590 -9.9590 -8.0537 -8.0537 -7.9891 -7.9891 -7.8693 -7.8693 -1.2159 -1.2159 -0.7346 -0.7346 0.2549 0.2549 0.2801 0.2801 4.2771 4.2771 4.3027 4.3027 5.4692 5.4692 9.8134 9.8134 10.0064 10.0064 10.8243 10.8243 12.6975 12.6975 k =-0.4468 0.4173 0.8515 ( 2170 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9589 -9.9589 -8.0534 -8.0534 -7.9894 -7.9894 -7.8695 -7.8695 -1.2154 -1.2154 -0.7339 -0.7339 0.2545 0.2545 0.2797 0.2797 4.2740 4.2740 4.3241 4.3241 5.4374 5.4374 9.8133 9.8133 10.0059 10.0059 10.8631 10.8631 12.6588 12.6588 k =-0.4574 0.4273 0.8515 ( 2174 PWs) bands (ev): -17.3233 -17.3233 -12.0663 -12.0663 -9.9588 -9.9588 -8.0531 -8.0531 -7.9897 -7.9897 -7.8698 -7.8698 -1.2149 -1.2149 -0.7334 -0.7334 0.2541 0.2541 0.2794 0.2794 4.2713 4.2713 4.3432 4.3432 5.4096 5.4096 9.8133 9.8133 10.0055 10.0055 10.8972 10.8972 12.6251 12.6251 k =-0.4681 0.4372 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0664 -12.0664 -9.9587 -9.9587 -8.0529 -8.0529 -7.9898 -7.9898 -7.8700 -7.8700 -1.2146 -1.2146 -0.7330 -0.7330 0.2539 0.2539 0.2791 0.2791 4.2691 4.2691 4.3592 4.3592 5.3867 5.3867 9.8133 9.8133 10.0053 10.0053 10.9254 10.9254 12.5975 12.5975 k =-0.4787 0.4471 0.8515 ( 2178 PWs) bands (ev): -17.3233 -17.3233 -12.0664 -12.0664 -9.9587 -9.9587 -8.0528 -8.0528 -7.9900 -7.9900 -7.8701 -7.8701 -1.2143 -1.2143 -0.7327 -0.7327 0.2537 0.2537 0.2790 0.2790 4.2676 4.2676 4.3713 4.3713 5.3696 5.3696 9.8133 9.8133 10.0051 10.0051 10.9465 10.9465 12.5768 12.5768 k =-0.4894 0.4571 0.8515 ( 2172 PWs) bands (ev): -17.3232 -17.3232 -12.0664 -12.0664 -9.9587 -9.9587 -8.0527 -8.0527 -7.9900 -7.9900 -7.8701 -7.8701 -1.2141 -1.2141 -0.7324 -0.7324 0.2536 0.2536 0.2789 0.2789 4.2666 4.2666 4.3788 4.3788 5.3590 5.3590 9.8133 9.8133 10.0049 10.0049 10.9596 10.9596 12.5640 12.5640 k =-0.5000 0.4670 0.8515 ( 2176 PWs) bands (ev): -17.3232 -17.3232 -12.0664 -12.0664 -9.9586 -9.9586 -8.0527 -8.0527 -7.9900 -7.9900 -7.8702 -7.8702 -1.2140 -1.2140 -0.7324 -0.7324 0.2535 0.2535 0.2788 0.2788 4.2663 4.2663 4.3814 4.3814 5.3554 5.3554 9.8132 9.8132 10.0049 10.0049 10.9640 10.9640 12.5597 12.5597 Writing output data file AgCNO.save init_run : 0.24s CPU 0.52s WALL ( 1 calls) electrons : 81.92s CPU 85.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 81.92s CPU 85.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 504 calls) cegterg : 73.54s CPU 75.15s WALL ( 574 calls) Called by sum_band: Called by *egterg: h_psi : 38.04s CPU 39.09s WALL ( 9957 calls) s_psi : 1.34s CPU 1.45s WALL ( 9957 calls) g_psi : 0.12s CPU 0.11s WALL ( 8879 calls) cdiaghg : 33.08s CPU 33.66s WALL ( 9383 calls) cegterg:over : 2.40s CPU 2.47s WALL ( 8879 calls) cegterg:upda : 1.78s CPU 1.72s WALL ( 8879 calls) cegterg:last : 1.15s CPU 1.10s WALL ( 1582 calls) cdiaghg:chol : 1.57s CPU 1.67s WALL ( 9383 calls) cdiaghg:inve : 0.66s CPU 0.71s WALL ( 9383 calls) cdiaghg:para : 1.92s CPU 2.09s WALL ( 18766 calls) Called by h_psi: h_psi:vloc : 34.18s CPU 35.23s WALL ( 9957 calls) h_psi:vnl : 3.81s CPU 3.80s WALL ( 9957 calls) add_vuspsi : 1.74s CPU 1.82s WALL ( 9957 calls) General routines calbec : 2.03s CPU 1.95s WALL ( 9957 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.22s CPU 33.18s WALL ( 676776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.15s WALL ( 1008 calls) Parallel routines fft_scatter : 14.97s CPU 15.68s WALL ( 676799 calls) PWSCF : 1m34.98s CPU 2m12.53s WALL This run was terminated on: 16:41:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=