Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:32:35 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: ./CSe2.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 48 24 7 3148 1110 175 Max 49 25 8 3155 1131 181 Sum 1749 871 261 113429 40315 6409 bravais-lattice index = 14 lattice parameter (alat) = 8.2075 a.u. unit-cell volume = 1136.1315 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.207469 celldm(2)= 1.000000 celldm(3)= 2.070061 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.120615 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.120615 0.992699 0.000000 ) a(3) = ( 0.000000 0.000000 2.070061 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.121502 -0.000000 ) b(2) = ( 0.000000 1.007354 -0.000000 ) b(3) = ( 0.000000 0.000000 0.483078 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 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 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.4396925 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4963497 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0350304 ) 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 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.4396925 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4963497 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0350304 ) 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= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0091058 0.0102791 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0182116 0.0205582 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0273174 0.0308374 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0364232 0.0411165 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0455289 0.0513956 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0546347 0.0616748 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0637405 0.0719539 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0728463 0.0822330 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0819521 0.0925121 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0910579 0.1027913 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1001637 0.1130704 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1092694 0.1233495 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1183752 0.1336286 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1274810 0.1439078 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1365868 0.1541869 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1456926 0.1644660 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1547984 0.1747451 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1639042 0.1850243 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1730099 0.1953034 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1821157 0.2055825 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1912215 0.2158616 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2003273 0.2261408 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2094331 0.2364199 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2185389 0.2466990 -0.0000000), wk = 0.0027933 k( 26) = ( 0.2276447 0.2569781 -0.0000000), wk = 0.0027933 k( 27) = ( 0.2367505 0.2672573 -0.0000000), wk = 0.0027933 k( 28) = ( 0.2458562 0.2775364 -0.0000000), wk = 0.0027933 k( 29) = ( 0.2549620 0.2878155 -0.0000000), wk = 0.0027933 k( 30) = ( 0.2640678 0.2980946 -0.0000000), wk = 0.0027933 k( 31) = ( 0.2731736 0.3083738 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2822794 0.3186529 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2913852 0.3289320 -0.0000000), wk = 0.0027933 k( 34) = ( 0.3004910 0.3392112 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3095967 0.3494903 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3187025 0.3597694 -0.0000000), wk = 0.0027933 k( 37) = ( 0.3278083 0.3700485 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3369141 0.3803277 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3460199 0.3906068 -0.0000000), wk = 0.0027933 k( 40) = ( 0.3551257 0.4008859 -0.0000000), wk = 0.0027933 k( 41) = ( 0.3642315 0.4111650 -0.0000000), wk = 0.0027933 k( 42) = ( 0.3733373 0.4214442 -0.0000000), wk = 0.0027933 k( 43) = ( 0.3824431 0.4317233 -0.0000000), wk = 0.0027933 k( 44) = ( 0.3915488 0.4420024 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4006546 0.4522815 -0.0000000), wk = 0.0027933 k( 46) = ( 0.4097604 0.4625607 -0.0000000), wk = 0.0027933 k( 47) = ( 0.4188662 0.4728398 -0.0000000), wk = 0.0027933 k( 48) = ( 0.4279720 0.4831189 -0.0000000), wk = 0.0027933 k( 49) = ( 0.4370778 0.4933980 -0.0000000), wk = 0.0027933 k( 50) = ( 0.4461836 0.5036772 -0.0000000), wk = 0.0027933 k( 51) = ( 0.4461836 0.5036772 -0.0000000), wk = 0.0027933 k( 52) = ( 0.4326628 0.5036772 -0.0000000), wk = 0.0027933 k( 53) = ( 0.4191421 0.5036772 -0.0000000), wk = 0.0027933 k( 54) = ( 0.4056214 0.5036772 -0.0000000), wk = 0.0027933 k( 55) = ( 0.3921007 0.5036772 -0.0000000), wk = 0.0027933 k( 56) = ( 0.3785800 0.5036772 -0.0000000), wk = 0.0027933 k( 57) = ( 0.3650593 0.5036772 -0.0000000), wk = 0.0027933 k( 58) = ( 0.3515386 0.5036772 -0.0000000), wk = 0.0027933 k( 59) = ( 0.3380179 0.5036772 -0.0000000), wk = 0.0027933 k( 60) = ( 0.3244971 0.5036772 -0.0000000), wk = 0.0027933 k( 61) = ( 0.3109764 0.5036772 -0.0000000), wk = 0.0027933 k( 62) = ( 0.2974557 0.5036772 -0.0000000), wk = 0.0027933 k( 63) = ( 0.2839350 0.5036772 -0.0000000), wk = 0.0027933 k( 64) = ( 0.2704143 0.5036772 -0.0000000), wk = 0.0027933 k( 65) = ( 0.2568936 0.5036772 -0.0000000), wk = 0.0027933 k( 66) = ( 0.2433729 0.5036772 -0.0000000), wk = 0.0027933 k( 67) = ( 0.2298521 0.5036772 -0.0000000), wk = 0.0027933 k( 68) = ( 0.2163314 0.5036772 -0.0000000), wk = 0.0027933 k( 69) = ( 0.2028107 0.5036772 -0.0000000), wk = 0.0027933 k( 70) = ( 0.1892900 0.5036772 -0.0000000), wk = 0.0027933 k( 71) = ( 0.1757693 0.5036772 -0.0000000), wk = 0.0027933 k( 72) = ( 0.1622486 0.5036772 -0.0000000), wk = 0.0027933 k( 73) = ( 0.1487278 0.5036772 -0.0000000), wk = 0.0027933 k( 74) = ( 0.1352071 0.5036772 -0.0000000), wk = 0.0027933 k( 75) = ( 0.1216864 0.5036772 -0.0000000), wk = 0.0027933 k( 76) = ( 0.1081657 0.5036772 -0.0000000), wk = 0.0027933 k( 77) = ( 0.0946450 0.5036772 -0.0000000), wk = 0.0027933 k( 78) = ( 0.0811243 0.5036772 -0.0000000), wk = 0.0027933 k( 79) = ( 0.0676036 0.5036772 -0.0000000), wk = 0.0027933 k( 80) = ( 0.0540829 0.5036772 -0.0000000), wk = 0.0027933 k( 81) = ( 0.0405621 0.5036772 -0.0000000), wk = 0.0027933 k( 82) = ( 0.0270414 0.5036772 -0.0000000), wk = 0.0027933 k( 83) = ( 0.0135207 0.5036772 -0.0000000), wk = 0.0027933 k( 84) = ( 0.0000000 0.5036772 -0.0000000), wk = 0.0027933 k( 85) = ( 0.0000000 0.5036772 -0.0000000), wk = 0.0027933 k( 86) = ( 0.0000000 0.5036772 0.0134188), wk = 0.0027933 k( 87) = ( 0.0000000 0.5036772 0.0268376), wk = 0.0027933 k( 88) = ( 0.0000000 0.5036772 0.0402565), wk = 0.0027933 k( 89) = ( 0.0000000 0.5036772 0.0536753), wk = 0.0027933 k( 90) = ( 0.0000000 0.5036772 0.0670941), wk = 0.0027933 k( 91) = ( 0.0000000 0.5036772 0.0805129), wk = 0.0027933 k( 92) = ( 0.0000000 0.5036772 0.0939318), wk = 0.0027933 k( 93) = ( 0.0000000 0.5036772 0.1073506), wk = 0.0027933 k( 94) = ( 0.0000000 0.5036772 0.1207694), wk = 0.0027933 k( 95) = ( 0.0000000 0.5036772 0.1341882), wk = 0.0027933 k( 96) = ( 0.0000000 0.5036772 0.1476071), wk = 0.0027933 k( 97) = ( 0.0000000 0.5036772 0.1610259), wk = 0.0027933 k( 98) = ( 0.0000000 0.5036772 0.1744447), wk = 0.0027933 k( 99) = ( 0.0000000 0.5036772 0.1878635), wk = 0.0027933 k( 100) = ( 0.0000000 0.5036772 0.2012823), wk = 0.0027933 k( 101) = ( 0.0000000 0.5036772 0.2147012), wk = 0.0027933 k( 102) = ( 0.0000000 0.5036772 0.2281200), wk = 0.0027933 k( 103) = ( 0.0000000 0.5036772 0.2415388), wk = 0.0027933 k( 104) = ( 0.0000000 0.5036772 0.2415388), wk = 0.0027933 k( 105) = ( 0.0135207 0.5036772 0.2415388), wk = 0.0027933 k( 106) = ( 0.0270414 0.5036772 0.2415388), wk = 0.0027933 k( 107) = ( 0.0405621 0.5036772 0.2415388), wk = 0.0027933 k( 108) = ( 0.0540829 0.5036772 0.2415388), wk = 0.0027933 k( 109) = ( 0.0676036 0.5036772 0.2415388), wk = 0.0027933 k( 110) = ( 0.0811243 0.5036772 0.2415388), wk = 0.0027933 k( 111) = ( 0.0946450 0.5036772 0.2415388), wk = 0.0027933 k( 112) = ( 0.1081657 0.5036772 0.2415388), wk = 0.0027933 k( 113) = ( 0.1216864 0.5036772 0.2415388), wk = 0.0027933 k( 114) = ( 0.1352071 0.5036772 0.2415388), wk = 0.0027933 k( 115) = ( 0.1487278 0.5036772 0.2415388), wk = 0.0027933 k( 116) = ( 0.1622486 0.5036772 0.2415388), wk = 0.0027933 k( 117) = ( 0.1757693 0.5036772 0.2415388), wk = 0.0027933 k( 118) = ( 0.1892900 0.5036772 0.2415388), wk = 0.0027933 k( 119) = ( 0.2028107 0.5036772 0.2415388), wk = 0.0027933 k( 120) = ( 0.2163314 0.5036772 0.2415388), wk = 0.0027933 k( 121) = ( 0.2298521 0.5036772 0.2415388), wk = 0.0027933 k( 122) = ( 0.2433729 0.5036772 0.2415388), wk = 0.0027933 k( 123) = ( 0.2568936 0.5036772 0.2415388), wk = 0.0027933 k( 124) = ( 0.2704143 0.5036772 0.2415388), wk = 0.0027933 k( 125) = ( 0.2839350 0.5036772 0.2415388), wk = 0.0027933 k( 126) = ( 0.2974557 0.5036772 0.2415388), wk = 0.0027933 k( 127) = ( 0.3109764 0.5036772 0.2415388), wk = 0.0027933 k( 128) = ( 0.3244971 0.5036772 0.2415388), wk = 0.0027933 k( 129) = ( 0.3380179 0.5036772 0.2415388), wk = 0.0027933 k( 130) = ( 0.3515386 0.5036772 0.2415388), wk = 0.0027933 k( 131) = ( 0.3650593 0.5036772 0.2415388), wk = 0.0027933 k( 132) = ( 0.3785800 0.5036772 0.2415388), wk = 0.0027933 k( 133) = ( 0.3921007 0.5036772 0.2415388), wk = 0.0027933 k( 134) = ( 0.4056214 0.5036772 0.2415388), wk = 0.0027933 k( 135) = ( 0.4191421 0.5036772 0.2415388), wk = 0.0027933 k( 136) = ( 0.4326628 0.5036772 0.2415388), wk = 0.0027933 k( 137) = ( 0.4461836 0.5036772 0.2415388), wk = 0.0027933 k( 138) = ( 0.4461836 0.5036772 0.2415388), wk = 0.0027933 k( 139) = ( 0.4370778 0.4933980 0.2415388), wk = 0.0027933 k( 140) = ( 0.4279720 0.4831189 0.2415388), wk = 0.0027933 k( 141) = ( 0.4188662 0.4728398 0.2415388), wk = 0.0027933 k( 142) = ( 0.4097604 0.4625607 0.2415388), wk = 0.0027933 k( 143) = ( 0.4006546 0.4522815 0.2415388), wk = 0.0027933 k( 144) = ( 0.3915488 0.4420024 0.2415388), wk = 0.0027933 k( 145) = ( 0.3824431 0.4317233 0.2415388), wk = 0.0027933 k( 146) = ( 0.3733373 0.4214442 0.2415388), wk = 0.0027933 k( 147) = ( 0.3642315 0.4111650 0.2415388), wk = 0.0027933 k( 148) = ( 0.3551257 0.4008859 0.2415388), wk = 0.0027933 k( 149) = ( 0.3460199 0.3906068 0.2415388), wk = 0.0027933 k( 150) = ( 0.3369141 0.3803277 0.2415388), wk = 0.0027933 k( 151) = ( 0.3278083 0.3700485 0.2415388), wk = 0.0027933 k( 152) = ( 0.3187025 0.3597694 0.2415388), wk = 0.0027933 k( 153) = ( 0.3095967 0.3494903 0.2415388), wk = 0.0027933 k( 154) = ( 0.3004910 0.3392112 0.2415388), wk = 0.0027933 k( 155) = ( 0.2913852 0.3289320 0.2415388), wk = 0.0027933 k( 156) = ( 0.2822794 0.3186529 0.2415388), wk = 0.0027933 k( 157) = ( 0.2731736 0.3083738 0.2415388), wk = 0.0027933 k( 158) = ( 0.2640678 0.2980946 0.2415388), wk = 0.0027933 k( 159) = ( 0.2549620 0.2878155 0.2415388), wk = 0.0027933 k( 160) = ( 0.2458562 0.2775364 0.2415388), wk = 0.0027933 k( 161) = ( 0.2367505 0.2672573 0.2415388), wk = 0.0027933 k( 162) = ( 0.2276447 0.2569781 0.2415388), wk = 0.0027933 k( 163) = ( 0.2185389 0.2466990 0.2415388), wk = 0.0027933 k( 164) = ( 0.2094331 0.2364199 0.2415388), wk = 0.0027933 k( 165) = ( 0.2003273 0.2261408 0.2415388), wk = 0.0027933 k( 166) = ( 0.1912215 0.2158616 0.2415388), wk = 0.0027933 k( 167) = ( 0.1821157 0.2055825 0.2415388), wk = 0.0027933 k( 168) = ( 0.1730099 0.1953034 0.2415388), wk = 0.0027933 k( 169) = ( 0.1639042 0.1850243 0.2415388), wk = 0.0027933 k( 170) = ( 0.1547984 0.1747451 0.2415388), wk = 0.0027933 k( 171) = ( 0.1456926 0.1644660 0.2415388), wk = 0.0027933 k( 172) = ( 0.1365868 0.1541869 0.2415388), wk = 0.0027933 k( 173) = ( 0.1274810 0.1439078 0.2415388), wk = 0.0027933 k( 174) = ( 0.1183752 0.1336286 0.2415388), wk = 0.0027933 k( 175) = ( 0.1092694 0.1233495 0.2415388), wk = 0.0027933 k( 176) = ( 0.1001637 0.1130704 0.2415388), wk = 0.0027933 k( 177) = ( 0.0910579 0.1027913 0.2415388), wk = 0.0027933 k( 178) = ( 0.0819521 0.0925121 0.2415388), wk = 0.0027933 k( 179) = ( 0.0728463 0.0822330 0.2415388), wk = 0.0027933 k( 180) = ( 0.0637405 0.0719539 0.2415388), wk = 0.0027933 k( 181) = ( 0.0546347 0.0616748 0.2415388), wk = 0.0027933 k( 182) = ( 0.0455289 0.0513956 0.2415388), wk = 0.0027933 k( 183) = ( 0.0364232 0.0411165 0.2415388), wk = 0.0027933 k( 184) = ( 0.0273174 0.0308374 0.2415388), wk = 0.0027933 k( 185) = ( 0.0182116 0.0205582 0.2415388), wk = 0.0027933 k( 186) = ( 0.0091058 0.0102791 0.2415388), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.2415388), wk = 0.0027933 k( 188) = ( 0.0000000 0.0000000 0.2415388), wk = 0.0027933 k( 189) = ( 0.0000000 0.0000000 0.2281200), wk = 0.0027933 k( 190) = ( 0.0000000 0.0000000 0.2147012), wk = 0.0027933 k( 191) = ( 0.0000000 0.0000000 0.2012823), wk = 0.0027933 k( 192) = ( 0.0000000 0.0000000 0.1878635), wk = 0.0027933 k( 193) = ( 0.0000000 0.0000000 0.1744447), wk = 0.0027933 k( 194) = ( 0.0000000 0.0000000 0.1610259), wk = 0.0027933 k( 195) = ( 0.0000000 0.0000000 0.1476071), wk = 0.0027933 k( 196) = ( 0.0000000 0.0000000 0.1341882), wk = 0.0027933 k( 197) = ( 0.0000000 0.0000000 0.1207694), wk = 0.0027933 k( 198) = ( 0.0000000 0.0000000 0.1073506), wk = 0.0027933 k( 199) = ( 0.0000000 0.0000000 0.0939318), wk = 0.0027933 k( 200) = ( 0.0000000 0.0000000 0.0805129), wk = 0.0027933 k( 201) = ( 0.0000000 0.0000000 0.0670941), wk = 0.0027933 k( 202) = ( 0.0000000 0.0000000 0.0536753), wk = 0.0027933 k( 203) = ( 0.0000000 0.0000000 0.0402565), wk = 0.0027933 k( 204) = ( 0.0000000 0.0000000 0.0268376), wk = 0.0027933 k( 205) = ( 0.0000000 0.0000000 0.0134188), wk = 0.0027933 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 208) = ( -0.0102041 0.0090393 0.0000000), wk = 0.0027933 k( 209) = ( -0.0204082 0.0180786 0.0000000), wk = 0.0027933 k( 210) = ( -0.0306122 0.0271179 0.0000000), wk = 0.0027933 k( 211) = ( -0.0408163 0.0361572 0.0000000), wk = 0.0027933 k( 212) = ( -0.0510204 0.0451965 0.0000000), wk = 0.0027933 k( 213) = ( -0.0612245 0.0542359 0.0000000), wk = 0.0027933 k( 214) = ( -0.0714286 0.0632752 0.0000000), wk = 0.0027933 k( 215) = ( -0.0816327 0.0723145 0.0000000), wk = 0.0027933 k( 216) = ( -0.0918367 0.0813538 0.0000000), wk = 0.0027933 k( 217) = ( -0.1020408 0.0903931 0.0000000), wk = 0.0027933 k( 218) = ( -0.1122449 0.0994324 0.0000000), wk = 0.0027933 k( 219) = ( -0.1224490 0.1084717 0.0000000), wk = 0.0027933 k( 220) = ( -0.1326531 0.1175110 0.0000000), wk = 0.0027933 k( 221) = ( -0.1428571 0.1265503 0.0000000), wk = 0.0027933 k( 222) = ( -0.1530612 0.1355896 0.0000000), wk = 0.0027933 k( 223) = ( -0.1632653 0.1446289 0.0000000), wk = 0.0027933 k( 224) = ( -0.1734694 0.1536683 0.0000000), wk = 0.0027933 k( 225) = ( -0.1836735 0.1627076 0.0000000), wk = 0.0027933 k( 226) = ( -0.1938776 0.1717469 0.0000000), wk = 0.0027933 k( 227) = ( -0.2040816 0.1807862 0.0000000), wk = 0.0027933 k( 228) = ( -0.2142857 0.1898255 0.0000000), wk = 0.0027933 k( 229) = ( -0.2244898 0.1988648 0.0000000), wk = 0.0027933 k( 230) = ( -0.2346939 0.2079041 0.0000000), wk = 0.0027933 k( 231) = ( -0.2448980 0.2169434 0.0000000), wk = 0.0027933 k( 232) = ( -0.2551020 0.2259827 0.0000000), wk = 0.0027933 k( 233) = ( -0.2653061 0.2350220 0.0000000), wk = 0.0027933 k( 234) = ( -0.2755102 0.2440613 0.0000000), wk = 0.0027933 k( 235) = ( -0.2857143 0.2531007 0.0000000), wk = 0.0027933 k( 236) = ( -0.2959184 0.2621400 0.0000000), wk = 0.0027933 k( 237) = ( -0.3061224 0.2711793 0.0000000), wk = 0.0027933 k( 238) = ( -0.3163265 0.2802186 0.0000000), wk = 0.0027933 k( 239) = ( -0.3265306 0.2892579 0.0000000), wk = 0.0027933 k( 240) = ( -0.3367347 0.2982972 0.0000000), wk = 0.0027933 k( 241) = ( -0.3469388 0.3073365 0.0000000), wk = 0.0027933 k( 242) = ( -0.3571429 0.3163758 0.0000000), wk = 0.0027933 k( 243) = ( -0.3673469 0.3254151 0.0000000), wk = 0.0027933 k( 244) = ( -0.3775510 0.3344544 0.0000000), wk = 0.0027933 k( 245) = ( -0.3877551 0.3434937 0.0000000), wk = 0.0027933 k( 246) = ( -0.3979592 0.3525330 0.0000000), wk = 0.0027933 k( 247) = ( -0.4081633 0.3615724 0.0000000), wk = 0.0027933 k( 248) = ( -0.4183674 0.3706117 0.0000000), wk = 0.0027933 k( 249) = ( -0.4285714 0.3796510 0.0000000), wk = 0.0027933 k( 250) = ( -0.4387755 0.3886903 0.0000000), wk = 0.0027933 k( 251) = ( -0.4489796 0.3977296 0.0000000), wk = 0.0027933 k( 252) = ( -0.4591837 0.4067689 0.0000000), wk = 0.0027933 k( 253) = ( -0.4693878 0.4158082 0.0000000), wk = 0.0027933 k( 254) = ( -0.4795918 0.4248475 0.0000000), wk = 0.0027933 k( 255) = ( -0.4897959 0.4338868 0.0000000), wk = 0.0027933 k( 256) = ( -0.5000000 0.4429261 0.0000000), wk = 0.0027933 k( 257) = ( -0.5000000 0.4429261 0.0000000), wk = 0.0027933 k( 258) = ( -0.4910306 0.4530513 -0.0000000), wk = 0.0027933 k( 259) = ( -0.4820612 0.4631765 -0.0000000), wk = 0.0027933 k( 260) = ( -0.4730918 0.4733016 -0.0000000), wk = 0.0027933 k( 261) = ( -0.4641224 0.4834268 -0.0000000), wk = 0.0027933 k( 262) = ( -0.4551530 0.4935520 -0.0000000), wk = 0.0027933 k( 263) = ( -0.4461836 0.5036772 -0.0000000), wk = 0.0027933 k( 264) = ( -0.4461836 0.5036772 -0.0000000), wk = 0.0027933 k( 265) = ( -0.4461836 0.5036772 0.0134188), wk = 0.0027933 k( 266) = ( -0.4461836 0.5036772 0.0268376), wk = 0.0027933 k( 267) = ( -0.4461836 0.5036772 0.0402565), wk = 0.0027933 k( 268) = ( -0.4461836 0.5036772 0.0536753), wk = 0.0027933 k( 269) = ( -0.4461836 0.5036772 0.0670941), wk = 0.0027933 k( 270) = ( -0.4461836 0.5036772 0.0805129), wk = 0.0027933 k( 271) = ( -0.4461836 0.5036772 0.0939318), wk = 0.0027933 k( 272) = ( -0.4461836 0.5036772 0.1073506), wk = 0.0027933 k( 273) = ( -0.4461836 0.5036772 0.1207694), wk = 0.0027933 k( 274) = ( -0.4461836 0.5036772 0.1341882), wk = 0.0027933 k( 275) = ( -0.4461836 0.5036772 0.1476071), wk = 0.0027933 k( 276) = ( -0.4461836 0.5036772 0.1610259), wk = 0.0027933 k( 277) = ( -0.4461836 0.5036772 0.1744447), wk = 0.0027933 k( 278) = ( -0.4461836 0.5036772 0.1878635), wk = 0.0027933 k( 279) = ( -0.4461836 0.5036772 0.2012823), wk = 0.0027933 k( 280) = ( -0.4461836 0.5036772 0.2147012), wk = 0.0027933 k( 281) = ( -0.4461836 0.5036772 0.2281200), wk = 0.0027933 k( 282) = ( -0.4461836 0.5036772 0.2415388), wk = 0.0027933 k( 283) = ( -0.4461836 0.5036772 0.2415388), wk = 0.0027933 k( 284) = ( -0.4551530 0.4935520 0.2415388), wk = 0.0027933 k( 285) = ( -0.4641224 0.4834268 0.2415388), wk = 0.0027933 k( 286) = ( -0.4730918 0.4733016 0.2415388), wk = 0.0027933 k( 287) = ( -0.4820612 0.4631765 0.2415388), wk = 0.0027933 k( 288) = ( -0.4910306 0.4530513 0.2415388), wk = 0.0027933 k( 289) = ( -0.5000000 0.4429261 0.2415388), wk = 0.0027933 k( 290) = ( -0.5000000 0.4429261 0.2415388), wk = 0.0027933 k( 291) = ( -0.5000000 0.4429261 0.2281200), wk = 0.0027933 k( 292) = ( -0.5000000 0.4429261 0.2147012), wk = 0.0027933 k( 293) = ( -0.5000000 0.4429261 0.2012823), wk = 0.0027933 k( 294) = ( -0.5000000 0.4429261 0.1878635), wk = 0.0027933 k( 295) = ( -0.5000000 0.4429261 0.1744447), wk = 0.0027933 k( 296) = ( -0.5000000 0.4429261 0.1610259), wk = 0.0027933 k( 297) = ( -0.5000000 0.4429261 0.1476071), wk = 0.0027933 k( 298) = ( -0.5000000 0.4429261 0.1341882), wk = 0.0027933 k( 299) = ( -0.5000000 0.4429261 0.1207694), wk = 0.0027933 k( 300) = ( -0.5000000 0.4429261 0.1073506), wk = 0.0027933 k( 301) = ( -0.5000000 0.4429261 0.0939318), wk = 0.0027933 k( 302) = ( -0.5000000 0.4429261 0.0805129), wk = 0.0027933 k( 303) = ( -0.5000000 0.4429261 0.0670941), wk = 0.0027933 k( 304) = ( -0.5000000 0.4429261 0.0536753), wk = 0.0027933 k( 305) = ( -0.5000000 0.4429261 0.0402565), wk = 0.0027933 k( 306) = ( -0.5000000 0.4429261 0.0268376), wk = 0.0027933 k( 307) = ( -0.5000000 0.4429261 0.0134188), wk = 0.0027933 k( 308) = ( -0.5000000 0.4429261 0.0000000), wk = 0.0027933 k( 309) = ( 0.0000000 0.0000000 0.2415388), wk = 0.0027933 k( 310) = ( -0.0102041 0.0090393 0.2415388), wk = 0.0027933 k( 311) = ( -0.0204082 0.0180786 0.2415388), wk = 0.0027933 k( 312) = ( -0.0306122 0.0271179 0.2415388), wk = 0.0027933 k( 313) = ( -0.0408163 0.0361572 0.2415388), wk = 0.0027933 k( 314) = ( -0.0510204 0.0451965 0.2415388), wk = 0.0027933 k( 315) = ( -0.0612245 0.0542359 0.2415388), wk = 0.0027933 k( 316) = ( -0.0714286 0.0632752 0.2415388), wk = 0.0027933 k( 317) = ( -0.0816327 0.0723145 0.2415388), wk = 0.0027933 k( 318) = ( -0.0918367 0.0813538 0.2415388), wk = 0.0027933 k( 319) = ( -0.1020408 0.0903931 0.2415388), wk = 0.0027933 k( 320) = ( -0.1122449 0.0994324 0.2415388), wk = 0.0027933 k( 321) = ( -0.1224490 0.1084717 0.2415388), wk = 0.0027933 k( 322) = ( -0.1326531 0.1175110 0.2415388), wk = 0.0027933 k( 323) = ( -0.1428571 0.1265503 0.2415388), wk = 0.0027933 k( 324) = ( -0.1530612 0.1355896 0.2415388), wk = 0.0027933 k( 325) = ( -0.1632653 0.1446289 0.2415388), wk = 0.0027933 k( 326) = ( -0.1734694 0.1536683 0.2415388), wk = 0.0027933 k( 327) = ( -0.1836735 0.1627076 0.2415388), wk = 0.0027933 k( 328) = ( -0.1938776 0.1717469 0.2415388), wk = 0.0027933 k( 329) = ( -0.2040816 0.1807862 0.2415388), wk = 0.0027933 k( 330) = ( -0.2142857 0.1898255 0.2415388), wk = 0.0027933 k( 331) = ( -0.2244898 0.1988648 0.2415388), wk = 0.0027933 k( 332) = ( -0.2346939 0.2079041 0.2415388), wk = 0.0027933 k( 333) = ( -0.2448980 0.2169434 0.2415388), wk = 0.0027933 k( 334) = ( -0.2551020 0.2259827 0.2415388), wk = 0.0027933 k( 335) = ( -0.2653061 0.2350220 0.2415388), wk = 0.0027933 k( 336) = ( -0.2755102 0.2440613 0.2415388), wk = 0.0027933 k( 337) = ( -0.2857143 0.2531007 0.2415388), wk = 0.0027933 k( 338) = ( -0.2959184 0.2621400 0.2415388), wk = 0.0027933 k( 339) = ( -0.3061224 0.2711793 0.2415388), wk = 0.0027933 k( 340) = ( -0.3163265 0.2802186 0.2415388), wk = 0.0027933 k( 341) = ( -0.3265306 0.2892579 0.2415388), wk = 0.0027933 k( 342) = ( -0.3367347 0.2982972 0.2415388), wk = 0.0027933 k( 343) = ( -0.3469388 0.3073365 0.2415388), wk = 0.0027933 k( 344) = ( -0.3571429 0.3163758 0.2415388), wk = 0.0027933 k( 345) = ( -0.3673469 0.3254151 0.2415388), wk = 0.0027933 k( 346) = ( -0.3775510 0.3344544 0.2415388), wk = 0.0027933 k( 347) = ( -0.3877551 0.3434937 0.2415388), wk = 0.0027933 k( 348) = ( -0.3979592 0.3525330 0.2415388), wk = 0.0027933 k( 349) = ( -0.4081633 0.3615724 0.2415388), wk = 0.0027933 k( 350) = ( -0.4183674 0.3706117 0.2415388), wk = 0.0027933 k( 351) = ( -0.4285714 0.3796510 0.2415388), wk = 0.0027933 k( 352) = ( -0.4387755 0.3886903 0.2415388), wk = 0.0027933 k( 353) = ( -0.4489796 0.3977296 0.2415388), wk = 0.0027933 k( 354) = ( -0.4591837 0.4067689 0.2415388), wk = 0.0027933 k( 355) = ( -0.4693878 0.4158082 0.2415388), wk = 0.0027933 k( 356) = ( -0.4795918 0.4248475 0.2415388), wk = 0.0027933 k( 357) = ( -0.4897959 0.4338868 0.2415388), wk = 0.0027933 k( 358) = ( -0.5000000 0.4429261 0.2415388), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0091058 0.0091058 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0182116 0.0182116 0.0000000), wk = 0.0027933 k( 4) = ( 0.0273174 0.0273174 0.0000000), wk = 0.0027933 k( 5) = ( 0.0364232 0.0364231 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0455289 0.0455289 0.0000000), wk = 0.0027933 k( 7) = ( 0.0546347 0.0546347 0.0000000), wk = 0.0027933 k( 8) = ( 0.0637405 0.0637405 0.0000000), wk = 0.0027933 k( 9) = ( 0.0728463 0.0728463 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0819521 0.0819521 0.0000000), wk = 0.0027933 k( 11) = ( 0.0910579 0.0910579 0.0000000), wk = 0.0027933 k( 12) = ( 0.1001637 0.1001637 0.0000000), wk = 0.0027933 k( 13) = ( 0.1092694 0.1092694 0.0000000), wk = 0.0027933 k( 14) = ( 0.1183752 0.1183752 0.0000000), wk = 0.0027933 k( 15) = ( 0.1274810 0.1274810 0.0000000), wk = 0.0027933 k( 16) = ( 0.1365868 0.1365868 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1456926 0.1456926 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1547984 0.1547984 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1639042 0.1639042 0.0000000), wk = 0.0027933 k( 20) = ( 0.1730099 0.1730099 0.0000000), wk = 0.0027933 k( 21) = ( 0.1821157 0.1821157 0.0000000), wk = 0.0027933 k( 22) = ( 0.1912215 0.1912215 0.0000000), wk = 0.0027933 k( 23) = ( 0.2003273 0.2003273 0.0000000), wk = 0.0027933 k( 24) = ( 0.2094331 0.2094331 0.0000000), wk = 0.0027933 k( 25) = ( 0.2185389 0.2185389 0.0000000), wk = 0.0027933 k( 26) = ( 0.2276447 0.2276447 0.0000000), wk = 0.0027933 k( 27) = ( 0.2367505 0.2367505 0.0000000), wk = 0.0027933 k( 28) = ( 0.2458562 0.2458563 0.0000000), wk = 0.0027933 k( 29) = ( 0.2549620 0.2549620 0.0000000), wk = 0.0027933 k( 30) = ( 0.2640678 0.2640678 0.0000000), wk = 0.0027933 k( 31) = ( 0.2731736 0.2731736 -0.0000000), wk = 0.0027933 k( 32) = ( 0.2822794 0.2822794 0.0000000), wk = 0.0027933 k( 33) = ( 0.2913852 0.2913852 -0.0000000), wk = 0.0027933 k( 34) = ( 0.3004910 0.3004910 0.0000000), wk = 0.0027933 k( 35) = ( 0.3095967 0.3095967 0.0000000), wk = 0.0027933 k( 36) = ( 0.3187025 0.3187025 0.0000000), wk = 0.0027933 k( 37) = ( 0.3278083 0.3278083 -0.0000000), wk = 0.0027933 k( 38) = ( 0.3369141 0.3369141 -0.0000000), wk = 0.0027933 k( 39) = ( 0.3460199 0.3460199 0.0000000), wk = 0.0027933 k( 40) = ( 0.3551257 0.3551257 -0.0000000), wk = 0.0027933 k( 41) = ( 0.3642315 0.3642315 0.0000000), wk = 0.0027933 k( 42) = ( 0.3733373 0.3733373 0.0000000), wk = 0.0027933 k( 43) = ( 0.3824431 0.3824431 0.0000000), wk = 0.0027933 k( 44) = ( 0.3915488 0.3915488 -0.0000000), wk = 0.0027933 k( 45) = ( 0.4006546 0.4006546 0.0000000), wk = 0.0027933 k( 46) = ( 0.4097604 0.4097604 0.0000000), wk = 0.0027933 k( 47) = ( 0.4188662 0.4188662 0.0000000), wk = 0.0027933 k( 48) = ( 0.4279720 0.4279720 0.0000000), wk = 0.0027933 k( 49) = ( 0.4370778 0.4370778 -0.0000000), wk = 0.0027933 k( 50) = ( 0.4461836 0.4461836 0.0000000), wk = 0.0027933 k( 51) = ( 0.4461836 0.4461836 0.0000000), wk = 0.0027933 k( 52) = ( 0.4326628 0.4478144 0.0000000), wk = 0.0027933 k( 53) = ( 0.4191421 0.4494452 0.0000000), wk = 0.0027933 k( 54) = ( 0.4056214 0.4510760 -0.0000000), wk = 0.0027933 k( 55) = ( 0.3921007 0.4527068 0.0000000), wk = 0.0027933 k( 56) = ( 0.3785800 0.4543376 -0.0000000), wk = 0.0027933 k( 57) = ( 0.3650593 0.4559684 0.0000000), wk = 0.0027933 k( 58) = ( 0.3515386 0.4575992 -0.0000000), wk = 0.0027933 k( 59) = ( 0.3380179 0.4592300 0.0000000), wk = 0.0027933 k( 60) = ( 0.3244971 0.4608608 0.0000000), wk = 0.0027933 k( 61) = ( 0.3109764 0.4624916 -0.0000000), wk = 0.0027933 k( 62) = ( 0.2974557 0.4641224 -0.0000000), wk = 0.0027933 k( 63) = ( 0.2839350 0.4657532 0.0000000), wk = 0.0027933 k( 64) = ( 0.2704143 0.4673840 0.0000000), wk = 0.0027933 k( 65) = ( 0.2568936 0.4690148 0.0000000), wk = 0.0027933 k( 66) = ( 0.2433729 0.4706456 -0.0000000), wk = 0.0027933 k( 67) = ( 0.2298521 0.4722764 0.0000000), wk = 0.0027933 k( 68) = ( 0.2163314 0.4739072 0.0000000), wk = 0.0027933 k( 69) = ( 0.2028107 0.4755380 -0.0000000), wk = 0.0027933 k( 70) = ( 0.1892900 0.4771688 0.0000000), wk = 0.0027933 k( 71) = ( 0.1757693 0.4787996 -0.0000000), wk = 0.0027933 k( 72) = ( 0.1622486 0.4804304 0.0000000), wk = 0.0027933 k( 73) = ( 0.1487278 0.4820612 -0.0000000), wk = 0.0027933 k( 74) = ( 0.1352071 0.4836920 0.0000000), wk = 0.0027933 k( 75) = ( 0.1216864 0.4853228 -0.0000000), wk = 0.0027933 k( 76) = ( 0.1081657 0.4869536 0.0000000), wk = 0.0027933 k( 77) = ( 0.0946450 0.4885844 0.0000000), wk = 0.0027933 k( 78) = ( 0.0811243 0.4902152 -0.0000000), wk = 0.0027933 k( 79) = ( 0.0676036 0.4918460 0.0000000), wk = 0.0027933 k( 80) = ( 0.0540829 0.4934768 -0.0000000), wk = 0.0027933 k( 81) = ( 0.0405621 0.4951076 0.0000000), wk = 0.0027933 k( 82) = ( 0.0270414 0.4967384 -0.0000000), wk = 0.0027933 k( 83) = ( 0.0135207 0.4983692 -0.0000000), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0027933 k( 90) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0027933 k( 91) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027933 k( 92) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0027933 k( 93) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0027933 k( 94) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027933 k( 95) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0027933 k( 96) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0027933 k( 97) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027933 k( 98) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0027933 k( 99) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0027933 k( 100) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027933 k( 101) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0027933 k( 102) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0027933 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 105) = ( 0.0135207 0.4983692 0.5000000), wk = 0.0027933 k( 106) = ( 0.0270414 0.4967384 0.5000000), wk = 0.0027933 k( 107) = ( 0.0405621 0.4951076 0.5000000), wk = 0.0027933 k( 108) = ( 0.0540829 0.4934768 0.5000000), wk = 0.0027933 k( 109) = ( 0.0676036 0.4918460 0.5000000), wk = 0.0027933 k( 110) = ( 0.0811243 0.4902152 0.5000000), wk = 0.0027933 k( 111) = ( 0.0946450 0.4885844 0.5000000), wk = 0.0027933 k( 112) = ( 0.1081657 0.4869536 0.5000000), wk = 0.0027933 k( 113) = ( 0.1216864 0.4853228 0.5000000), wk = 0.0027933 k( 114) = ( 0.1352071 0.4836920 0.5000000), wk = 0.0027933 k( 115) = ( 0.1487278 0.4820612 0.5000000), wk = 0.0027933 k( 116) = ( 0.1622486 0.4804304 0.5000000), wk = 0.0027933 k( 117) = ( 0.1757693 0.4787996 0.5000000), wk = 0.0027933 k( 118) = ( 0.1892900 0.4771688 0.5000000), wk = 0.0027933 k( 119) = ( 0.2028107 0.4755380 0.5000000), wk = 0.0027933 k( 120) = ( 0.2163314 0.4739072 0.5000000), wk = 0.0027933 k( 121) = ( 0.2298521 0.4722764 0.5000000), wk = 0.0027933 k( 122) = ( 0.2433729 0.4706456 0.5000000), wk = 0.0027933 k( 123) = ( 0.2568936 0.4690148 0.5000000), wk = 0.0027933 k( 124) = ( 0.2704143 0.4673840 0.5000000), wk = 0.0027933 k( 125) = ( 0.2839350 0.4657532 0.5000000), wk = 0.0027933 k( 126) = ( 0.2974557 0.4641224 0.5000000), wk = 0.0027933 k( 127) = ( 0.3109764 0.4624916 0.5000000), wk = 0.0027933 k( 128) = ( 0.3244971 0.4608608 0.5000000), wk = 0.0027933 k( 129) = ( 0.3380179 0.4592300 0.5000000), wk = 0.0027933 k( 130) = ( 0.3515386 0.4575992 0.5000000), wk = 0.0027933 k( 131) = ( 0.3650593 0.4559684 0.5000000), wk = 0.0027933 k( 132) = ( 0.3785800 0.4543376 0.5000000), wk = 0.0027933 k( 133) = ( 0.3921007 0.4527068 0.5000000), wk = 0.0027933 k( 134) = ( 0.4056214 0.4510760 0.5000000), wk = 0.0027933 k( 135) = ( 0.4191421 0.4494452 0.5000000), wk = 0.0027933 k( 136) = ( 0.4326628 0.4478144 0.5000000), wk = 0.0027933 k( 137) = ( 0.4461836 0.4461836 0.5000000), wk = 0.0027933 k( 138) = ( 0.4461836 0.4461836 0.5000000), wk = 0.0027933 k( 139) = ( 0.4370778 0.4370778 0.5000000), wk = 0.0027933 k( 140) = ( 0.4279720 0.4279720 0.5000000), wk = 0.0027933 k( 141) = ( 0.4188662 0.4188662 0.5000000), wk = 0.0027933 k( 142) = ( 0.4097604 0.4097604 0.5000000), wk = 0.0027933 k( 143) = ( 0.4006546 0.4006546 0.5000000), wk = 0.0027933 k( 144) = ( 0.3915488 0.3915488 0.5000000), wk = 0.0027933 k( 145) = ( 0.3824431 0.3824431 0.5000000), wk = 0.0027933 k( 146) = ( 0.3733373 0.3733373 0.5000000), wk = 0.0027933 k( 147) = ( 0.3642315 0.3642315 0.5000000), wk = 0.0027933 k( 148) = ( 0.3551257 0.3551257 0.5000000), wk = 0.0027933 k( 149) = ( 0.3460199 0.3460199 0.5000000), wk = 0.0027933 k( 150) = ( 0.3369141 0.3369141 0.5000000), wk = 0.0027933 k( 151) = ( 0.3278083 0.3278083 0.5000000), wk = 0.0027933 k( 152) = ( 0.3187025 0.3187025 0.5000000), wk = 0.0027933 k( 153) = ( 0.3095967 0.3095967 0.5000000), wk = 0.0027933 k( 154) = ( 0.3004910 0.3004910 0.5000000), wk = 0.0027933 k( 155) = ( 0.2913852 0.2913852 0.5000000), wk = 0.0027933 k( 156) = ( 0.2822794 0.2822794 0.5000000), wk = 0.0027933 k( 157) = ( 0.2731736 0.2731736 0.5000000), wk = 0.0027933 k( 158) = ( 0.2640678 0.2640678 0.5000000), wk = 0.0027933 k( 159) = ( 0.2549620 0.2549620 0.5000000), wk = 0.0027933 k( 160) = ( 0.2458562 0.2458563 0.5000000), wk = 0.0027933 k( 161) = ( 0.2367505 0.2367505 0.5000000), wk = 0.0027933 k( 162) = ( 0.2276447 0.2276447 0.5000000), wk = 0.0027933 k( 163) = ( 0.2185389 0.2185389 0.5000000), wk = 0.0027933 k( 164) = ( 0.2094331 0.2094331 0.5000000), wk = 0.0027933 k( 165) = ( 0.2003273 0.2003273 0.5000000), wk = 0.0027933 k( 166) = ( 0.1912215 0.1912215 0.5000000), wk = 0.0027933 k( 167) = ( 0.1821157 0.1821157 0.5000000), wk = 0.0027933 k( 168) = ( 0.1730099 0.1730099 0.5000000), wk = 0.0027933 k( 169) = ( 0.1639042 0.1639042 0.5000000), wk = 0.0027933 k( 170) = ( 0.1547984 0.1547984 0.5000000), wk = 0.0027933 k( 171) = ( 0.1456926 0.1456926 0.5000000), wk = 0.0027933 k( 172) = ( 0.1365868 0.1365868 0.5000000), wk = 0.0027933 k( 173) = ( 0.1274810 0.1274810 0.5000000), wk = 0.0027933 k( 174) = ( 0.1183752 0.1183752 0.5000000), wk = 0.0027933 k( 175) = ( 0.1092694 0.1092694 0.5000000), wk = 0.0027933 k( 176) = ( 0.1001637 0.1001637 0.5000000), wk = 0.0027933 k( 177) = ( 0.0910579 0.0910579 0.5000000), wk = 0.0027933 k( 178) = ( 0.0819521 0.0819521 0.5000000), wk = 0.0027933 k( 179) = ( 0.0728463 0.0728463 0.5000000), wk = 0.0027933 k( 180) = ( 0.0637405 0.0637405 0.5000000), wk = 0.0027933 k( 181) = ( 0.0546347 0.0546347 0.5000000), wk = 0.0027933 k( 182) = ( 0.0455289 0.0455289 0.5000000), wk = 0.0027933 k( 183) = ( 0.0364232 0.0364231 0.5000000), wk = 0.0027933 k( 184) = ( 0.0273174 0.0273174 0.5000000), wk = 0.0027933 k( 185) = ( 0.0182116 0.0182116 0.5000000), wk = 0.0027933 k( 186) = ( 0.0091058 0.0091058 0.5000000), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 189) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0027933 k( 190) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0027933 k( 191) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027933 k( 192) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0027933 k( 193) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0027933 k( 194) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027933 k( 195) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0027933 k( 196) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0027933 k( 197) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027933 k( 198) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0027933 k( 199) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0027933 k( 200) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027933 k( 201) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0027933 k( 202) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0027933 k( 203) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027933 k( 204) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0027933 k( 205) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0027933 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 208) = ( -0.0102041 0.0102041 0.0000000), wk = 0.0027933 k( 209) = ( -0.0204082 0.0204082 0.0000000), wk = 0.0027933 k( 210) = ( -0.0306122 0.0306122 -0.0000000), wk = 0.0027933 k( 211) = ( -0.0408163 0.0408163 -0.0000000), wk = 0.0027933 k( 212) = ( -0.0510204 0.0510204 -0.0000000), wk = 0.0027933 k( 213) = ( -0.0612245 0.0612245 -0.0000000), wk = 0.0027933 k( 214) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0027933 k( 215) = ( -0.0816327 0.0816327 -0.0000000), wk = 0.0027933 k( 216) = ( -0.0918367 0.0918367 -0.0000000), wk = 0.0027933 k( 217) = ( -0.1020408 0.1020408 -0.0000000), wk = 0.0027933 k( 218) = ( -0.1122449 0.1122449 -0.0000000), wk = 0.0027933 k( 219) = ( -0.1224490 0.1224490 -0.0000000), wk = 0.0027933 k( 220) = ( -0.1326531 0.1326531 -0.0000000), wk = 0.0027933 k( 221) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0027933 k( 222) = ( -0.1530612 0.1530612 -0.0000000), wk = 0.0027933 k( 223) = ( -0.1632653 0.1632653 0.0000000), wk = 0.0027933 k( 224) = ( -0.1734694 0.1734694 -0.0000000), wk = 0.0027933 k( 225) = ( -0.1836735 0.1836735 0.0000000), wk = 0.0027933 k( 226) = ( -0.1938776 0.1938776 0.0000000), wk = 0.0027933 k( 227) = ( -0.2040816 0.2040816 -0.0000000), wk = 0.0027933 k( 228) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0027933 k( 229) = ( -0.2244898 0.2244898 -0.0000000), wk = 0.0027933 k( 230) = ( -0.2346939 0.2346939 -0.0000000), wk = 0.0027933 k( 231) = ( -0.2448980 0.2448980 -0.0000000), wk = 0.0027933 k( 232) = ( -0.2551020 0.2551020 0.0000000), wk = 0.0027933 k( 233) = ( -0.2653061 0.2653061 -0.0000000), wk = 0.0027933 k( 234) = ( -0.2755102 0.2755102 -0.0000000), wk = 0.0027933 k( 235) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0027933 k( 236) = ( -0.2959184 0.2959184 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3061224 0.3061224 0.0000000), wk = 0.0027933 k( 238) = ( -0.3163265 0.3163265 -0.0000000), wk = 0.0027933 k( 239) = ( -0.3265306 0.3265306 -0.0000000), wk = 0.0027933 k( 240) = ( -0.3367347 0.3367347 -0.0000000), wk = 0.0027933 k( 241) = ( -0.3469388 0.3469388 -0.0000000), wk = 0.0027933 k( 242) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0027933 k( 243) = ( -0.3673469 0.3673469 0.0000000), wk = 0.0027933 k( 244) = ( -0.3775510 0.3775510 0.0000000), wk = 0.0027933 k( 245) = ( -0.3877551 0.3877551 0.0000000), wk = 0.0027933 k( 246) = ( -0.3979592 0.3979592 -0.0000000), wk = 0.0027933 k( 247) = ( -0.4081633 0.4081633 -0.0000000), wk = 0.0027933 k( 248) = ( -0.4183674 0.4183674 -0.0000000), wk = 0.0027933 k( 249) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0027933 k( 250) = ( -0.4387755 0.4387755 -0.0000000), wk = 0.0027933 k( 251) = ( -0.4489796 0.4489796 -0.0000000), wk = 0.0027933 k( 252) = ( -0.4591837 0.4591837 0.0000000), wk = 0.0027933 k( 253) = ( -0.4693878 0.4693878 -0.0000000), wk = 0.0027933 k( 254) = ( -0.4795918 0.4795918 0.0000000), wk = 0.0027933 k( 255) = ( -0.4897959 0.4897959 -0.0000000), wk = 0.0027933 k( 256) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 257) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 258) = ( -0.4910306 0.5089694 -0.0000000), wk = 0.0027933 k( 259) = ( -0.4820612 0.5179388 0.0000000), wk = 0.0027933 k( 260) = ( -0.4730918 0.5269082 -0.0000000), wk = 0.0027933 k( 261) = ( -0.4641224 0.5358776 0.0000000), wk = 0.0027933 k( 262) = ( -0.4551530 0.5448470 0.0000000), wk = 0.0027933 k( 263) = ( -0.4461836 0.5538164 0.0000000), wk = 0.0027933 k( 264) = ( -0.4461836 0.5538164 0.0000000), wk = 0.0027933 k( 265) = ( -0.4461836 0.5538164 0.0277778), wk = 0.0027933 k( 266) = ( -0.4461836 0.5538164 0.0555556), wk = 0.0027933 k( 267) = ( -0.4461836 0.5538164 0.0833333), wk = 0.0027933 k( 268) = ( -0.4461836 0.5538164 0.1111111), wk = 0.0027933 k( 269) = ( -0.4461836 0.5538164 0.1388889), wk = 0.0027933 k( 270) = ( -0.4461836 0.5538164 0.1666667), wk = 0.0027933 k( 271) = ( -0.4461836 0.5538164 0.1944444), wk = 0.0027933 k( 272) = ( -0.4461836 0.5538164 0.2222222), wk = 0.0027933 k( 273) = ( -0.4461836 0.5538164 0.2500000), wk = 0.0027933 k( 274) = ( -0.4461836 0.5538164 0.2777778), wk = 0.0027933 k( 275) = ( -0.4461836 0.5538164 0.3055556), wk = 0.0027933 k( 276) = ( -0.4461836 0.5538164 0.3333333), wk = 0.0027933 k( 277) = ( -0.4461836 0.5538164 0.3611111), wk = 0.0027933 k( 278) = ( -0.4461836 0.5538164 0.3888889), wk = 0.0027933 k( 279) = ( -0.4461836 0.5538164 0.4166667), wk = 0.0027933 k( 280) = ( -0.4461836 0.5538164 0.4444444), wk = 0.0027933 k( 281) = ( -0.4461836 0.5538164 0.4722222), wk = 0.0027933 k( 282) = ( -0.4461836 0.5538164 0.5000000), wk = 0.0027933 k( 283) = ( -0.4461836 0.5538164 0.5000000), wk = 0.0027933 k( 284) = ( -0.4551530 0.5448470 0.5000000), wk = 0.0027933 k( 285) = ( -0.4641224 0.5358776 0.5000000), wk = 0.0027933 k( 286) = ( -0.4730918 0.5269082 0.5000000), wk = 0.0027933 k( 287) = ( -0.4820612 0.5179388 0.5000000), wk = 0.0027933 k( 288) = ( -0.4910306 0.5089694 0.5000000), wk = 0.0027933 k( 289) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 290) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 291) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0027933 k( 292) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0027933 k( 293) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0027933 k( 294) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0027933 k( 295) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0027933 k( 296) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027933 k( 297) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0027933 k( 298) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0027933 k( 299) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027933 k( 300) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0027933 k( 301) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 309) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 310) = ( -0.0102041 0.0102041 0.5000000), wk = 0.0027933 k( 311) = ( -0.0204082 0.0204082 0.5000000), wk = 0.0027933 k( 312) = ( -0.0306122 0.0306122 0.5000000), wk = 0.0027933 k( 313) = ( -0.0408163 0.0408163 0.5000000), wk = 0.0027933 k( 314) = ( -0.0510204 0.0510204 0.5000000), wk = 0.0027933 k( 315) = ( -0.0612245 0.0612245 0.5000000), wk = 0.0027933 k( 316) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0027933 k( 317) = ( -0.0816327 0.0816327 0.5000000), wk = 0.0027933 k( 318) = ( -0.0918367 0.0918367 0.5000000), wk = 0.0027933 k( 319) = ( -0.1020408 0.1020408 0.5000000), wk = 0.0027933 k( 320) = ( -0.1122449 0.1122449 0.5000000), wk = 0.0027933 k( 321) = ( -0.1224490 0.1224490 0.5000000), wk = 0.0027933 k( 322) = ( -0.1326531 0.1326531 0.5000000), wk = 0.0027933 k( 323) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0027933 k( 324) = ( -0.1530612 0.1530612 0.5000000), wk = 0.0027933 k( 325) = ( -0.1632653 0.1632653 0.5000000), wk = 0.0027933 k( 326) = ( -0.1734694 0.1734694 0.5000000), wk = 0.0027933 k( 327) = ( -0.1836735 0.1836735 0.5000000), wk = 0.0027933 k( 328) = ( -0.1938776 0.1938776 0.5000000), wk = 0.0027933 k( 329) = ( -0.2040816 0.2040816 0.5000000), wk = 0.0027933 k( 330) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0027933 k( 331) = ( -0.2244898 0.2244898 0.5000000), wk = 0.0027933 k( 332) = ( -0.2346939 0.2346939 0.5000000), wk = 0.0027933 k( 333) = ( -0.2448980 0.2448980 0.5000000), wk = 0.0027933 k( 334) = ( -0.2551020 0.2551020 0.5000000), wk = 0.0027933 k( 335) = ( -0.2653061 0.2653061 0.5000000), wk = 0.0027933 k( 336) = ( -0.2755102 0.2755102 0.5000000), wk = 0.0027933 k( 337) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0027933 k( 338) = ( -0.2959184 0.2959184 0.5000000), wk = 0.0027933 k( 339) = ( -0.3061224 0.3061224 0.5000000), wk = 0.0027933 k( 340) = ( -0.3163265 0.3163265 0.5000000), wk = 0.0027933 k( 341) = ( -0.3265306 0.3265306 0.5000000), wk = 0.0027933 k( 342) = ( -0.3367347 0.3367347 0.5000000), wk = 0.0027933 k( 343) = ( -0.3469388 0.3469388 0.5000000), wk = 0.0027933 k( 344) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0027933 k( 345) = ( -0.3673469 0.3673469 0.5000000), wk = 0.0027933 k( 346) = ( -0.3775510 0.3775510 0.5000000), wk = 0.0027933 k( 347) = ( -0.3877551 0.3877551 0.5000000), wk = 0.0027933 k( 348) = ( -0.3979592 0.3979592 0.5000000), wk = 0.0027933 k( 349) = ( -0.4081633 0.4081633 0.5000000), wk = 0.0027933 k( 350) = ( -0.4183674 0.4183674 0.5000000), wk = 0.0027933 k( 351) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0027933 k( 352) = ( -0.4387755 0.4387755 0.5000000), wk = 0.0027933 k( 353) = ( -0.4489796 0.4489796 0.5000000), wk = 0.0027933 k( 354) = ( -0.4591837 0.4591837 0.5000000), wk = 0.0027933 k( 355) = ( -0.4693878 0.4693878 0.5000000), wk = 0.0027933 k( 356) = ( -0.4795918 0.4795918 0.5000000), wk = 0.0027933 k( 357) = ( -0.4897959 0.4897959 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 113429 G-vectors FFT dimensions: ( 48, 48, 100) Smooth grid: 40315 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 306, 40) NL pseudopotentials 0.20 Mb ( 153, 84) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 3155) G-vector shells 0.01 Mb ( 1597) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 306, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.10 Mb ( 84, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CSe2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 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 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 secs Computing kpt #: 19 total cpu time spent up to now is 6.6 secs Computing kpt #: 20 total cpu time spent up to now is 6.8 secs Computing kpt #: 21 total cpu time spent up to now is 7.0 secs Computing kpt #: 22 total cpu time spent up to now is 7.3 secs Computing kpt #: 23 total cpu time spent up to now is 7.5 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.4 secs Computing kpt #: 28 total cpu time spent up to now is 8.6 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.5 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 10.5 secs Computing kpt #: 37 total cpu time spent up to now is 10.7 secs Computing kpt #: 38 total cpu time spent up to now is 10.9 secs Computing kpt #: 39 total cpu time spent up to now is 11.2 secs Computing kpt #: 40 total cpu time spent up to now is 11.4 secs Computing kpt #: 41 total cpu time spent up to now is 11.6 secs Computing kpt #: 42 total cpu time spent up to now is 11.9 secs Computing kpt #: 43 total cpu time spent up to now is 12.1 secs Computing kpt #: 44 total cpu time spent up to now is 12.4 secs Computing kpt #: 45 total cpu time spent up to now is 12.6 secs Computing kpt #: 46 total cpu time spent up to now is 12.9 secs Computing kpt #: 47 total cpu time spent up to now is 13.1 secs Computing kpt #: 48 total cpu time spent up to now is 13.3 secs Computing kpt #: 49 total cpu time spent up to now is 13.6 secs Computing kpt #: 50 total cpu time spent up to now is 13.8 secs Computing kpt #: 51 total cpu time spent up to now is 14.1 secs Computing kpt #: 52 total cpu time spent up to now is 14.3 secs Computing kpt #: 53 total cpu time spent up to now is 14.6 secs Computing kpt #: 54 total cpu time spent up to now is 14.8 secs Computing kpt #: 55 total cpu time spent up to now is 15.1 secs Computing kpt #: 56 total cpu time spent up to now is 15.3 secs Computing kpt #: 57 total cpu time spent up to now is 15.6 secs Computing kpt #: 58 total cpu time spent up to now is 15.8 secs Computing kpt #: 59 total cpu time spent up to now is 16.1 secs Computing kpt #: 60 total cpu time spent up to now is 16.3 secs Computing kpt #: 61 total cpu time spent up to now is 16.6 secs Computing kpt #: 62 total cpu time spent up to now is 16.8 secs Computing kpt #: 63 total cpu time spent up to now is 17.1 secs Computing kpt #: 64 total cpu time spent up to now is 17.3 secs Computing kpt #: 65 total cpu time spent up to now is 17.6 secs Computing kpt #: 66 total cpu time spent up to now is 17.8 secs Computing kpt #: 67 total cpu time spent up to now is 18.1 secs Computing kpt #: 68 total cpu time spent up to now is 18.3 secs Computing kpt #: 69 total cpu time spent up to now is 18.6 secs Computing kpt #: 70 total cpu time spent up to now is 18.8 secs Computing kpt #: 71 total cpu time spent up to now is 19.1 secs Computing kpt #: 72 total cpu time spent up to now is 19.3 secs Computing kpt #: 73 total cpu time spent up to now is 19.6 secs Computing kpt #: 74 total cpu time spent up to now is 19.8 secs Computing kpt #: 75 total cpu time spent up to now is 20.1 secs Computing kpt #: 76 total cpu time spent up to now is 20.3 secs Computing kpt #: 77 total cpu time spent up to now is 20.6 secs Computing kpt #: 78 total cpu time spent up to now is 20.8 secs Computing kpt #: 79 total cpu time spent up to now is 21.0 secs Computing kpt #: 80 total cpu time spent up to now is 21.3 secs Computing kpt #: 81 total cpu time spent up to now is 21.5 secs Computing kpt #: 82 total cpu time spent up to now is 21.8 secs Computing kpt #: 83 total cpu time spent up to now is 22.0 secs Computing kpt #: 84 total cpu time spent up to now is 22.2 secs Computing kpt #: 85 total cpu time spent up to now is 22.5 secs Computing kpt #: 86 total cpu time spent up to now is 22.7 secs Computing kpt #: 87 total cpu time spent up to now is 23.0 secs Computing kpt #: 88 total cpu time spent up to now is 23.2 secs Computing kpt #: 89 total cpu time spent up to now is 23.4 secs Computing kpt #: 90 total cpu time spent up to now is 23.7 secs Computing kpt #: 91 total cpu time spent up to now is 23.9 secs Computing kpt #: 92 total cpu time spent up to now is 24.2 secs Computing kpt #: 93 total cpu time spent up to now is 24.4 secs Computing kpt #: 94 total cpu time spent up to now is 24.6 secs Computing kpt #: 95 total cpu time spent up to now is 24.9 secs Computing kpt #: 96 total cpu time spent up to now is 25.1 secs Computing kpt #: 97 total cpu time spent up to now is 25.3 secs Computing kpt #: 98 total cpu time spent up to now is 25.6 secs Computing kpt #: 99 total cpu time spent up to now is 25.8 secs Computing kpt #: 100 total cpu time spent up to now is 26.0 secs Computing kpt #: 101 total cpu time spent up to now is 26.3 secs Computing kpt #: 102 total cpu time spent up to now is 26.5 secs Computing kpt #: 103 total cpu time spent up to now is 26.7 secs Computing kpt #: 104 total cpu time spent up to now is 26.9 secs Computing kpt #: 105 total cpu time spent up to now is 27.1 secs Computing kpt #: 106 total cpu time spent up to now is 27.4 secs Computing kpt #: 107 total cpu time spent up to now is 27.6 secs Computing kpt #: 108 total cpu time spent up to now is 27.8 secs Computing kpt #: 109 total cpu time spent up to now is 28.0 secs Computing kpt #: 110 total cpu time spent up to now is 28.3 secs Computing kpt #: 111 total cpu time spent up to now is 28.5 secs Computing kpt #: 112 total cpu time spent up to now is 28.7 secs Computing kpt #: 113 total cpu time spent up to now is 29.0 secs Computing kpt #: 114 total cpu time spent up to now is 29.2 secs Computing kpt #: 115 total cpu time spent up to now is 29.4 secs Computing kpt #: 116 total cpu time spent up to now is 29.6 secs Computing kpt #: 117 total cpu time spent up to now is 29.9 secs Computing kpt #: 118 total cpu time spent up to now is 30.1 secs Computing kpt #: 119 total cpu time spent up to now is 30.3 secs Computing kpt #: 120 total cpu time spent up to now is 30.6 secs Computing kpt #: 121 total cpu time spent up to now is 30.8 secs Computing kpt #: 122 total cpu time spent up to now is 31.0 secs Computing kpt #: 123 total cpu time spent up to now is 31.3 secs Computing kpt #: 124 total cpu time spent up to now is 31.5 secs Computing kpt #: 125 total cpu time spent up to now is 31.7 secs Computing kpt #: 126 total cpu time spent up to now is 32.0 secs Computing kpt #: 127 total cpu time spent up to now is 32.2 secs Computing kpt #: 128 total cpu time spent up to now is 32.4 secs Computing kpt #: 129 total cpu time spent up to now is 32.7 secs Computing kpt #: 130 total cpu time spent up to now is 33.0 secs Computing kpt #: 131 total cpu time spent up to now is 33.3 secs Computing kpt #: 132 total cpu time spent up to now is 33.5 secs Computing kpt #: 133 total cpu time spent up to now is 33.8 secs Computing kpt #: 134 total cpu time spent up to now is 34.0 secs Computing kpt #: 135 total cpu time spent up to now is 34.3 secs Computing kpt #: 136 total cpu time spent up to now is 34.5 secs Computing kpt #: 137 total cpu time spent up to now is 34.8 secs Computing kpt #: 138 total cpu time spent up to now is 35.0 secs Computing kpt #: 139 total cpu time spent up to now is 35.3 secs Computing kpt #: 140 total cpu time spent up to now is 35.7 secs Computing kpt #: 141 total cpu time spent up to now is 36.0 secs Computing kpt #: 142 total cpu time spent up to now is 36.4 secs Computing kpt #: 143 total cpu time spent up to now is 36.7 secs Computing kpt #: 144 total cpu time spent up to now is 37.0 secs Computing kpt #: 145 total cpu time spent up to now is 37.2 secs Computing kpt #: 146 total cpu time spent up to now is 37.4 secs Computing kpt #: 147 total cpu time spent up to now is 37.6 secs Computing kpt #: 148 total cpu time spent up to now is 37.9 secs Computing kpt #: 149 total cpu time spent up to now is 38.1 secs Computing kpt #: 150 total cpu time spent up to now is 38.3 secs Computing kpt #: 151 total cpu time spent up to now is 38.6 secs Computing kpt #: 152 total cpu time spent up to now is 38.8 secs Computing kpt #: 153 total cpu time spent up to now is 39.0 secs Computing kpt #: 154 total cpu time spent up to now is 39.2 secs Computing kpt #: 155 total cpu time spent up to now is 39.5 secs Computing kpt #: 156 total cpu time spent up to now is 39.7 secs Computing kpt #: 157 total cpu time spent up to now is 39.9 secs Computing kpt #: 158 total cpu time spent up to now is 40.1 secs Computing kpt #: 159 total cpu time spent up to now is 40.3 secs Computing kpt #: 160 total cpu time spent up to now is 40.5 secs Computing kpt #: 161 total cpu time spent up to now is 40.8 secs Computing kpt #: 162 total cpu time spent up to now is 41.0 secs Computing kpt #: 163 total cpu time spent up to now is 41.2 secs Computing kpt #: 164 total cpu time spent up to now is 41.5 secs Computing kpt #: 165 total cpu time spent up to now is 41.7 secs Computing kpt #: 166 total cpu time spent up to now is 41.9 secs Computing kpt #: 167 total cpu time spent up to now is 42.1 secs Computing kpt #: 168 total cpu time spent up to now is 42.4 secs Computing kpt #: 169 total cpu time spent up to now is 42.6 secs Computing kpt #: 170 total cpu time spent up to now is 42.8 secs Computing kpt #: 171 total cpu time spent up to now is 43.1 secs Computing kpt #: 172 total cpu time spent up to now is 43.3 secs Computing kpt #: 173 total cpu time spent up to now is 43.5 secs Computing kpt #: 174 total cpu time spent up to now is 43.7 secs Computing kpt #: 175 total cpu time spent up to now is 44.0 secs Computing kpt #: 176 total cpu time spent up to now is 44.2 secs Computing kpt #: 177 total cpu time spent up to now is 44.4 secs Computing kpt #: 178 total cpu time spent up to now is 44.7 secs Computing kpt #: 179 total cpu time spent up to now is 44.9 secs Computing kpt #: 180 total cpu time spent up to now is 45.1 secs Computing kpt #: 181 total cpu time spent up to now is 45.3 secs Computing kpt #: 182 total cpu time spent up to now is 45.6 secs Computing kpt #: 183 total cpu time spent up to now is 45.8 secs Computing kpt #: 184 total cpu time spent up to now is 46.0 secs Computing kpt #: 185 total cpu time spent up to now is 46.3 secs Computing kpt #: 186 total cpu time spent up to now is 46.5 secs Computing kpt #: 187 total cpu time spent up to now is 46.7 secs Computing kpt #: 188 total cpu time spent up to now is 46.9 secs Computing kpt #: 189 total cpu time spent up to now is 47.2 secs Computing kpt #: 190 total cpu time spent up to now is 47.4 secs Computing kpt #: 191 total cpu time spent up to now is 47.6 secs Computing kpt #: 192 total cpu time spent up to now is 47.9 secs Computing kpt #: 193 total cpu time spent up to now is 48.1 secs Computing kpt #: 194 total cpu time spent up to now is 48.3 secs Computing kpt #: 195 total cpu time spent up to now is 48.5 secs Computing kpt #: 196 total cpu time spent up to now is 48.8 secs Computing kpt #: 197 total cpu time spent up to now is 49.0 secs Computing kpt #: 198 total cpu time spent up to now is 49.2 secs Computing kpt #: 199 total cpu time spent up to now is 49.5 secs Computing kpt #: 200 total cpu time spent up to now is 49.7 secs Computing kpt #: 201 total cpu time spent up to now is 49.9 secs Computing kpt #: 202 total cpu time spent up to now is 50.2 secs Computing kpt #: 203 total cpu time spent up to now is 50.4 secs Computing kpt #: 204 total cpu time spent up to now is 50.6 secs Computing kpt #: 205 total cpu time spent up to now is 50.8 secs Computing kpt #: 206 total cpu time spent up to now is 51.0 secs Computing kpt #: 207 total cpu time spent up to now is 51.2 secs Computing kpt #: 208 total cpu time spent up to now is 51.5 secs Computing kpt #: 209 total cpu time spent up to now is 51.7 secs Computing kpt #: 210 total cpu time spent up to now is 51.9 secs Computing kpt #: 211 total cpu time spent up to now is 52.2 secs Computing kpt #: 212 total cpu time spent up to now is 52.4 secs Computing kpt #: 213 total cpu time spent up to now is 52.6 secs Computing kpt #: 214 total cpu time spent up to now is 52.9 secs Computing kpt #: 215 total cpu time spent up to now is 53.1 secs Computing kpt #: 216 total cpu time spent up to now is 53.4 secs Computing kpt #: 217 total cpu time spent up to now is 53.6 secs Computing kpt #: 218 total cpu time spent up to now is 53.9 secs Computing kpt #: 219 total cpu time spent up to now is 54.1 secs Computing kpt #: 220 total cpu time spent up to now is 54.4 secs Computing kpt #: 221 total cpu time spent up to now is 54.6 secs Computing kpt #: 222 total cpu time spent up to now is 54.8 secs Computing kpt #: 223 total cpu time spent up to now is 55.1 secs Computing kpt #: 224 total cpu time spent up to now is 55.3 secs Computing kpt #: 225 total cpu time spent up to now is 55.6 secs Computing kpt #: 226 total cpu time spent up to now is 55.8 secs Computing kpt #: 227 total cpu time spent up to now is 56.1 secs Computing kpt #: 228 total cpu time spent up to now is 56.3 secs Computing kpt #: 229 total cpu time spent up to now is 56.5 secs Computing kpt #: 230 total cpu time spent up to now is 56.8 secs Computing kpt #: 231 total cpu time spent up to now is 57.0 secs Computing kpt #: 232 total cpu time spent up to now is 57.3 secs Computing kpt #: 233 total cpu time spent up to now is 57.5 secs Computing kpt #: 234 total cpu time spent up to now is 57.7 secs Computing kpt #: 235 total cpu time spent up to now is 58.0 secs Computing kpt #: 236 total cpu time spent up to now is 58.2 secs Computing kpt #: 237 total cpu time spent up to now is 58.5 secs Computing kpt #: 238 total cpu time spent up to now is 58.7 secs Computing kpt #: 239 total cpu time spent up to now is 58.9 secs Computing kpt #: 240 total cpu time spent up to now is 59.2 secs Computing kpt #: 241 total cpu time spent up to now is 59.4 secs Computing kpt #: 242 total cpu time spent up to now is 59.7 secs Computing kpt #: 243 total cpu time spent up to now is 59.9 secs Computing kpt #: 244 total cpu time spent up to now is 60.2 secs Computing kpt #: 245 total cpu time spent up to now is 60.4 secs Computing kpt #: 246 total cpu time spent up to now is 60.7 secs Computing kpt #: 247 total cpu time spent up to now is 60.9 secs Computing kpt #: 248 total cpu time spent up to now is 61.2 secs Computing kpt #: 249 total cpu time spent up to now is 61.4 secs Computing kpt #: 250 total cpu time spent up to now is 61.6 secs Computing kpt #: 251 total cpu time spent up to now is 61.9 secs Computing kpt #: 252 total cpu time spent up to now is 62.1 secs Computing kpt #: 253 total cpu time spent up to now is 62.4 secs Computing kpt #: 254 total cpu time spent up to now is 62.6 secs Computing kpt #: 255 total cpu time spent up to now is 62.8 secs Computing kpt #: 256 total cpu time spent up to now is 63.1 secs Computing kpt #: 257 total cpu time spent up to now is 63.3 secs Computing kpt #: 258 total cpu time spent up to now is 63.5 secs Computing kpt #: 259 total cpu time spent up to now is 63.8 secs Computing kpt #: 260 total cpu time spent up to now is 64.0 secs Computing kpt #: 261 total cpu time spent up to now is 64.3 secs Computing kpt #: 262 total cpu time spent up to now is 64.5 secs Computing kpt #: 263 total cpu time spent up to now is 64.8 secs Computing kpt #: 264 total cpu time spent up to now is 65.0 secs Computing kpt #: 265 total cpu time spent up to now is 65.2 secs Computing kpt #: 266 total cpu time spent up to now is 65.5 secs Computing kpt #: 267 total cpu time spent up to now is 65.7 secs Computing kpt #: 268 total cpu time spent up to now is 66.0 secs Computing kpt #: 269 total cpu time spent up to now is 66.2 secs Computing kpt #: 270 total cpu time spent up to now is 66.5 secs Computing kpt #: 271 total cpu time spent up to now is 66.7 secs Computing kpt #: 272 total cpu time spent up to now is 67.0 secs Computing kpt #: 273 total cpu time spent up to now is 67.2 secs Computing kpt #: 274 total cpu time spent up to now is 67.4 secs Computing kpt #: 275 total cpu time spent up to now is 67.7 secs Computing kpt #: 276 total cpu time spent up to now is 67.9 secs Computing kpt #: 277 total cpu time spent up to now is 68.2 secs Computing kpt #: 278 total cpu time spent up to now is 68.4 secs Computing kpt #: 279 total cpu time spent up to now is 68.6 secs Computing kpt #: 280 total cpu time spent up to now is 68.9 secs Computing kpt #: 281 total cpu time spent up to now is 69.1 secs Computing kpt #: 282 total cpu time spent up to now is 69.4 secs Computing kpt #: 283 total cpu time spent up to now is 69.6 secs Computing kpt #: 284 total cpu time spent up to now is 69.9 secs Computing kpt #: 285 total cpu time spent up to now is 70.1 secs Computing kpt #: 286 total cpu time spent up to now is 70.4 secs Computing kpt #: 287 total cpu time spent up to now is 70.6 secs Computing kpt #: 288 total cpu time spent up to now is 70.9 secs Computing kpt #: 289 total cpu time spent up to now is 71.1 secs Computing kpt #: 290 total cpu time spent up to now is 71.4 secs Computing kpt #: 291 total cpu time spent up to now is 71.6 secs Computing kpt #: 292 total cpu time spent up to now is 71.9 secs Computing kpt #: 293 total cpu time spent up to now is 72.1 secs Computing kpt #: 294 total cpu time spent up to now is 72.4 secs Computing kpt #: 295 total cpu time spent up to now is 72.6 secs Computing kpt #: 296 total cpu time spent up to now is 72.9 secs Computing kpt #: 297 total cpu time spent up to now is 73.1 secs Computing kpt #: 298 total cpu time spent up to now is 73.3 secs Computing kpt #: 299 total cpu time spent up to now is 73.6 secs Computing kpt #: 300 total cpu time spent up to now is 73.8 secs Computing kpt #: 301 total cpu time spent up to now is 74.1 secs Computing kpt #: 302 total cpu time spent up to now is 74.3 secs Computing kpt #: 303 total cpu time spent up to now is 74.5 secs Computing kpt #: 304 total cpu time spent up to now is 74.8 secs Computing kpt #: 305 total cpu time spent up to now is 75.0 secs Computing kpt #: 306 total cpu time spent up to now is 75.3 secs Computing kpt #: 307 total cpu time spent up to now is 75.5 secs Computing kpt #: 308 total cpu time spent up to now is 75.7 secs Computing kpt #: 309 total cpu time spent up to now is 75.9 secs Computing kpt #: 310 total cpu time spent up to now is 76.2 secs Computing kpt #: 311 total cpu time spent up to now is 76.4 secs Computing kpt #: 312 total cpu time spent up to now is 76.6 secs Computing kpt #: 313 total cpu time spent up to now is 76.9 secs Computing kpt #: 314 total cpu time spent up to now is 77.1 secs Computing kpt #: 315 total cpu time spent up to now is 77.3 secs Computing kpt #: 316 total cpu time spent up to now is 77.6 secs Computing kpt #: 317 total cpu time spent up to now is 77.8 secs Computing kpt #: 318 total cpu time spent up to now is 78.0 secs Computing kpt #: 319 total cpu time spent up to now is 78.3 secs Computing kpt #: 320 total cpu time spent up to now is 78.5 secs Computing kpt #: 321 total cpu time spent up to now is 78.7 secs Computing kpt #: 322 total cpu time spent up to now is 78.9 secs Computing kpt #: 323 total cpu time spent up to now is 79.2 secs Computing kpt #: 324 total cpu time spent up to now is 79.4 secs Computing kpt #: 325 total cpu time spent up to now is 79.6 secs Computing kpt #: 326 total cpu time spent up to now is 79.9 secs Computing kpt #: 327 total cpu time spent up to now is 80.1 secs Computing kpt #: 328 total cpu time spent up to now is 80.3 secs Computing kpt #: 329 total cpu time spent up to now is 80.6 secs Computing kpt #: 330 total cpu time spent up to now is 80.8 secs Computing kpt #: 331 total cpu time spent up to now is 81.0 secs Computing kpt #: 332 total cpu time spent up to now is 81.3 secs Computing kpt #: 333 total cpu time spent up to now is 81.5 secs Computing kpt #: 334 total cpu time spent up to now is 81.8 secs Computing kpt #: 335 total cpu time spent up to now is 82.0 secs Computing kpt #: 336 total cpu time spent up to now is 82.2 secs Computing kpt #: 337 total cpu time spent up to now is 82.5 secs Computing kpt #: 338 total cpu time spent up to now is 82.7 secs Computing kpt #: 339 total cpu time spent up to now is 83.0 secs Computing kpt #: 340 total cpu time spent up to now is 83.2 secs Computing kpt #: 341 total cpu time spent up to now is 83.4 secs Computing kpt #: 342 total cpu time spent up to now is 83.7 secs Computing kpt #: 343 total cpu time spent up to now is 83.9 secs Computing kpt #: 344 total cpu time spent up to now is 84.2 secs Computing kpt #: 345 total cpu time spent up to now is 84.4 secs Computing kpt #: 346 total cpu time spent up to now is 84.7 secs Computing kpt #: 347 total cpu time spent up to now is 84.9 secs Computing kpt #: 348 total cpu time spent up to now is 85.2 secs Computing kpt #: 349 total cpu time spent up to now is 85.4 secs Computing kpt #: 350 total cpu time spent up to now is 85.6 secs Computing kpt #: 351 total cpu time spent up to now is 85.9 secs Computing kpt #: 352 total cpu time spent up to now is 86.1 secs Computing kpt #: 353 total cpu time spent up to now is 86.4 secs Computing kpt #: 354 total cpu time spent up to now is 86.6 secs Computing kpt #: 355 total cpu time spent up to now is 86.9 secs Computing kpt #: 356 total cpu time spent up to now is 87.1 secs Computing kpt #: 357 total cpu time spent up to now is 87.4 secs Computing kpt #: 358 total cpu time spent up to now is 87.6 secs ethr = 3.13E-08, avg # of iterations = 12.2 total cpu time spent up to now is 87.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -13.3762 -13.3762 -13.1754 -13.1754 -11.3946 -11.3946 -11.0924 -11.0924 -5.5515 -5.5515 -5.1044 -5.1044 -3.1194 -3.1194 -2.3329 -2.3329 -0.9865 -0.9865 -0.8485 -0.8485 -0.7061 -0.7061 -0.5701 -0.5701 0.4606 0.4606 0.7089 0.7089 0.8915 0.8915 1.4198 1.4198 3.7934 3.7934 4.1994 4.1994 4.6950 4.6950 5.2221 5.2221 k = 0.0091 0.0103-0.0000 ( 5051 PWs) bands (ev): -13.3758 -13.3758 -13.1753 -13.1753 -11.3946 -11.3946 -11.0928 -11.0928 -5.5516 -5.5516 -5.1044 -5.1044 -3.1186 -3.1186 -2.3340 -2.3340 -0.9886 -0.9886 -0.8507 -0.8507 -0.7084 -0.7084 -0.5716 -0.5716 0.4648 0.4648 0.7103 0.7103 0.8928 0.8928 1.4205 1.4205 3.7939 3.7939 4.1985 4.1985 4.6960 4.6960 5.2180 5.2180 k = 0.0182 0.0206-0.0000 ( 5055 PWs) bands (ev): -13.3747 -13.3747 -13.1748 -13.1748 -11.3946 -11.3946 -11.0939 -11.0939 -5.5518 -5.5518 -5.1041 -5.1041 -3.1162 -3.1162 -2.3373 -2.3373 -0.9947 -0.9947 -0.8572 -0.8572 -0.7151 -0.7151 -0.5759 -0.5759 0.4772 0.4772 0.7146 0.7146 0.8966 0.8966 1.4226 1.4226 3.7952 3.7952 4.1959 4.1959 4.6988 4.6988 5.2058 5.2058 k = 0.0273 0.0308-0.0000 ( 5047 PWs) bands (ev): -13.3729 -13.3729 -13.1740 -13.1740 -11.3945 -11.3945 -11.0958 -11.0958 -5.5521 -5.5521 -5.1037 -5.1037 -3.1123 -3.1123 -2.3427 -2.3427 -1.0049 -1.0049 -0.8678 -0.8678 -0.7263 -0.7263 -0.5831 -0.5831 0.4973 0.4973 0.7217 0.7217 0.9030 0.9030 1.4260 1.4260 3.7975 3.7975 4.1915 4.1915 4.7035 4.7035 5.1863 5.1863 k = 0.0364 0.0411-0.0000 ( 5049 PWs) bands (ev): -13.3704 -13.3704 -13.1729 -13.1729 -11.3945 -11.3945 -11.0984 -11.0984 -5.5524 -5.5524 -5.1032 -5.1032 -3.1068 -3.1068 -2.3501 -2.3501 -1.0187 -1.0187 -0.8821 -0.8821 -0.7417 -0.7417 -0.5930 -0.5930 0.5244 0.5244 0.7314 0.7314 0.9121 0.9121 1.4308 1.4308 3.8006 3.8006 4.1856 4.1856 4.7100 4.7100 5.1602 5.1602 k = 0.0455 0.0514-0.0000 ( 5053 PWs) bands (ev): -13.3672 -13.3672 -13.1715 -13.1715 -11.3945 -11.3945 -11.1017 -11.1017 -5.5529 -5.5529 -5.1027 -5.1027 -3.0998 -3.0998 -2.3592 -2.3592 -1.0361 -1.0361 -0.8997 -0.8997 -0.7611 -0.7611 -0.6057 -0.6057 0.5572 0.5572 0.7438 0.7438 0.9239 0.9239 1.4368 1.4368 3.8046 3.8046 4.1783 4.1783 4.7182 4.7182 5.1285 5.1285 k = 0.0546 0.0617-0.0000 ( 5043 PWs) bands (ev): -13.3632 -13.3632 -13.1699 -13.1699 -11.3944 -11.3944 -11.1056 -11.1056 -5.5534 -5.5534 -5.1021 -5.1021 -3.0914 -3.0914 -2.3699 -2.3699 -1.0566 -1.0566 -0.9202 -0.9202 -0.7842 -0.7842 -0.6208 -0.6208 0.5942 0.5942 0.7593 0.7593 0.9384 0.9384 1.4442 1.4442 3.8094 3.8094 4.1698 4.1698 4.7281 4.7281 5.0924 5.0924 k = 0.0637 0.0720-0.0000 ( 5047 PWs) bands (ev): -13.3586 -13.3586 -13.1679 -13.1679 -11.3943 -11.3943 -11.1102 -11.1102 -5.5539 -5.5539 -5.1015 -5.1015 -3.0818 -3.0818 -2.3820 -2.3820 -1.0799 -1.0799 -0.9431 -0.9431 -0.8108 -0.8108 -0.6385 -0.6385 0.6329 0.6329 0.7786 0.7786 0.9558 0.9558 1.4527 1.4527 3.8150 3.8150 4.1603 4.1603 4.7393 4.7393 5.0527 5.0527 k = 0.0728 0.0822-0.0000 ( 5045 PWs) bands (ev): -13.3533 -13.3533 -13.1657 -13.1657 -11.3942 -11.3942 -11.1155 -11.1155 -5.5544 -5.5544 -5.1011 -5.1011 -3.0708 -3.0708 -2.3951 -2.3951 -1.1056 -1.1056 -0.9681 -0.9681 -0.8405 -0.8405 -0.6584 -0.6584 0.6701 0.6701 0.8038 0.8038 0.9760 0.9760 1.4624 1.4624 3.8213 3.8213 4.1500 4.1500 4.7516 4.7516 5.0105 5.0105 k = 0.0820 0.0925-0.0000 ( 5055 PWs) bands (ev): -13.3474 -13.3474 -13.1633 -13.1633 -11.3940 -11.3940 -11.1213 -11.1213 -5.5549 -5.5549 -5.1009 -5.1009 -3.0589 -3.0589 -2.4091 -2.4091 -1.1334 -1.1334 -0.9947 -0.9947 -0.8730 -0.8730 -0.6805 -0.6805 0.7020 0.7020 0.8372 0.8372 0.9991 0.9991 1.4733 1.4733 3.8284 3.8284 4.1393 4.1393 4.7642 4.7642 4.9670 4.9670 k = 0.0911 0.1028-0.0000 ( 5055 PWs) bands (ev): -13.3409 -13.3409 -13.1606 -13.1606 -11.3938 -11.3938 -11.1276 -11.1276 -5.5552 -5.5552 -5.1009 -5.1009 -3.0459 -3.0459 -2.4235 -2.4235 -1.1629 -1.1629 -1.0227 -1.0227 -0.9080 -0.9080 -0.7046 -0.7046 0.7265 0.7265 0.8797 0.8797 1.0250 1.0250 1.4853 1.4853 3.8360 3.8360 4.1284 4.1284 4.7753 4.7753 4.9244 4.9244 k = 0.1002 0.1131-0.0000 ( 5049 PWs) bands (ev): -13.3338 -13.3338 -13.1578 -13.1578 -11.3935 -11.3935 -11.1344 -11.1344 -5.5554 -5.5554 -5.1013 -5.1013 -3.0321 -3.0321 -2.4381 -2.4381 -1.1938 -1.1938 -1.0519 -1.0519 -0.9451 -0.9451 -0.7305 -0.7305 0.7442 0.7442 0.9291 0.9291 1.0538 1.0538 1.4983 1.4983 3.8443 3.8443 4.1176 4.1176 4.7797 4.7797 4.8883 4.8883 k = 0.1093 0.1233-0.0000 ( 5073 PWs) bands (ev): -13.3261 -13.3261 -13.1547 -13.1547 -11.3931 -11.3931 -11.1416 -11.1416 -5.5554 -5.5554 -5.1021 -5.1021 -3.0176 -3.0176 -2.4526 -2.4526 -1.2256 -1.2256 -1.0819 -1.0819 -0.9839 -0.9839 -0.7581 -0.7581 0.7568 0.7568 0.9820 0.9820 1.0856 1.0856 1.5124 1.5124 3.8532 3.8532 4.1072 4.1072 4.7658 4.7658 4.8705 4.8705 k = 0.1184 0.1336-0.0000 ( 5075 PWs) bands (ev): -13.3179 -13.3179 -13.1515 -13.1515 -11.3926 -11.3926 -11.1492 -11.1492 -5.5553 -5.5553 -5.1034 -5.1034 -3.0027 -3.0027 -2.4666 -2.4666 -1.2581 -1.2581 -1.1128 -1.1128 -1.0241 -1.0241 -0.7872 -0.7872 0.7658 0.7658 1.0351 1.0351 1.1214 1.1214 1.5276 1.5276 3.8625 3.8625 4.0976 4.0976 4.7305 4.7305 4.8744 4.8744 k = 0.1275 0.1439-0.0000 ( 5077 PWs) bands (ev): -13.3092 -13.3092 -13.1482 -13.1482 -11.3920 -11.3920 -11.1571 -11.1571 -5.5548 -5.5548 -5.1053 -5.1053 -2.9873 -2.9873 -2.4801 -2.4801 -1.2908 -1.2908 -1.1446 -1.1446 -1.0651 -1.0651 -0.8177 -0.8177 0.7719 0.7719 1.0849 1.0849 1.1622 1.1622 1.5438 1.5438 3.8723 3.8723 4.0890 4.0890 4.6847 4.6847 4.8892 4.8892 k = 0.1366 0.1542-0.0000 ( 5067 PWs) bands (ev): -13.3000 -13.3000 -13.1447 -13.1447 -11.3913 -11.3913 -11.1652 -11.1652 -5.5541 -5.5541 -5.1078 -5.1078 -2.9719 -2.9719 -2.4927 -2.4927 -1.3235 -1.3235 -1.1773 -1.1773 -1.1064 -1.1064 -0.8493 -0.8493 0.7756 0.7756 1.1289 1.1289 1.2089 1.2089 1.5611 1.5611 3.8826 3.8826 4.0819 4.0819 4.6352 4.6352 4.9084 4.9084 k = 0.1457 0.1645-0.0000 ( 5051 PWs) bands (ev): -13.2904 -13.2904 -13.1412 -13.1412 -11.3905 -11.3905 -11.1735 -11.1735 -5.5532 -5.5532 -5.1111 -5.1111 -2.9565 -2.9565 -2.5042 -2.5042 -1.3556 -1.3556 -1.2113 -1.2113 -1.1473 -1.1473 -0.8819 -0.8819 0.7772 0.7772 1.1671 1.1671 1.2596 1.2596 1.5796 1.5796 3.8932 3.8932 4.0766 4.0766 4.5843 4.5843 4.9299 4.9299 k = 0.1548 0.1747-0.0000 ( 5053 PWs) bands (ev): -13.2804 -13.2804 -13.1376 -13.1376 -11.3895 -11.3895 -11.1820 -11.1820 -5.5519 -5.5519 -5.1151 -5.1151 -2.9414 -2.9414 -2.5145 -2.5145 -1.3870 -1.3870 -1.2470 -1.2470 -1.1870 -1.1870 -0.9154 -0.9154 0.7770 0.7770 1.2010 1.2010 1.3113 1.3113 1.5992 1.5992 3.9042 3.9042 4.0734 4.0734 4.5331 4.5331 4.9526 4.9526 k = 0.1639 0.1850-0.0000 ( 5053 PWs) bands (ev): -13.2701 -13.2701 -13.1340 -13.1340 -11.3883 -11.3883 -11.1906 -11.1906 -5.5503 -5.5503 -5.1200 -5.1200 -2.9268 -2.9268 -2.5235 -2.5235 -1.4172 -1.4172 -1.2849 -1.2849 -1.2247 -1.2247 -0.9496 -0.9496 0.7749 0.7749 1.2315 1.2315 1.3616 1.3616 1.6202 1.6202 3.9154 3.9154 4.0728 4.0728 4.4823 4.4823 4.9762 4.9762 k = 0.1730 0.1953-0.0000 ( 5045 PWs) bands (ev): -13.2595 -13.2595 -13.1304 -13.1304 -11.3869 -11.3869 -11.1991 -11.1991 -5.5484 -5.5484 -5.1257 -5.1257 -2.9129 -2.9129 -2.5310 -2.5310 -1.4460 -1.4460 -1.3249 -1.3249 -1.2600 -1.2600 -0.9843 -0.9843 0.7712 0.7712 1.2591 1.2591 1.4086 1.4086 1.6424 1.6424 3.9270 3.9270 4.0751 4.0751 4.4325 4.4325 5.0003 5.0003 k = 0.1821 0.2056-0.0000 ( 5053 PWs) bands (ev): -13.2486 -13.2486 -13.1268 -13.1268 -11.3853 -11.3853 -11.2077 -11.2077 -5.5463 -5.5463 -5.1322 -5.1322 -2.8999 -2.8999 -2.5371 -2.5371 -1.4731 -1.4731 -1.3664 -1.3664 -1.2931 -1.2931 -1.0194 -1.0194 0.7660 0.7660 1.2836 1.2836 1.4511 1.4511 1.6658 1.6658 3.9390 3.9390 4.0807 4.0807 4.3841 4.3841 5.0248 5.0248 k = 0.1912 0.2159-0.0000 ( 5057 PWs) bands (ev): -13.2375 -13.2375 -13.1233 -13.1233 -11.3835 -11.3835 -11.2161 -11.2161 -5.5439 -5.5439 -5.1396 -5.1396 -2.8879 -2.8879 -2.5418 -2.5418 -1.4986 -1.4986 -1.4084 -1.4084 -1.3242 -1.3242 -1.0549 -1.0549 0.7594 0.7594 1.3048 1.3048 1.4884 1.4884 1.6900 1.6900 3.9512 3.9512 4.0899 4.0899 4.3376 4.3376 5.0494 5.0494 k = 0.2003 0.2261-0.0000 ( 5057 PWs) bands (ev): -13.2262 -13.2262 -13.1198 -13.1198 -11.3815 -11.3815 -11.2245 -11.2245 -5.5412 -5.5412 -5.1478 -5.1478 -2.8773 -2.8773 -2.5451 -2.5451 -1.5232 -1.5232 -1.4495 -1.4495 -1.3536 -1.3536 -1.0904 -1.0904 0.7515 0.7515 1.3222 1.3222 1.5204 1.5204 1.7143 1.7143 3.9636 3.9636 4.1031 4.1031 4.2935 4.2935 5.0741 5.0741 k = 0.2094 0.2364-0.0000 ( 5059 PWs) bands (ev): -13.2148 -13.2148 -13.1165 -13.1165 -11.3792 -11.3792 -11.2326 -11.2326 -5.5383 -5.5383 -5.1568 -5.1568 -2.8680 -2.8680 -2.5470 -2.5470 -1.5485 -1.5485 -1.4869 -1.4869 -1.3816 -1.3816 -1.1259 -1.1259 0.7423 0.7423 1.3356 1.3356 1.5472 1.5472 1.7379 1.7379 3.9762 3.9762 4.1206 4.1206 4.2523 4.2523 5.0987 5.0987 k = 0.2185 0.2467-0.0000 ( 5051 PWs) bands (ev): -13.2033 -13.2033 -13.1133 -13.1133 -11.3766 -11.3766 -11.2405 -11.2405 -5.5353 -5.5353 -5.1666 -5.1666 -2.8602 -2.8602 -2.5476 -2.5476 -1.5782 -1.5782 -1.5168 -1.5168 -1.4082 -1.4082 -1.1613 -1.1613 0.7320 0.7320 1.3444 1.3444 1.5693 1.5693 1.7598 1.7598 3.9888 3.9888 4.1422 4.1422 4.2148 4.2148 5.1231 5.1231 k = 0.2276 0.2570-0.0000 ( 5051 PWs) bands (ev): -13.1918 -13.1918 -13.1102 -13.1102 -11.3738 -11.3738 -11.2481 -11.2481 -5.5321 -5.5321 -5.1770 -5.1770 -2.8541 -2.8541 -2.5472 -2.5472 -1.6140 -1.6140 -1.5369 -1.5369 -1.4332 -1.4332 -1.1964 -1.1964 0.7207 0.7207 1.3482 1.3482 1.5871 1.5871 1.7791 1.7791 4.0011 4.0011 4.1630 4.1630 4.1865 4.1865 5.1472 5.1472 k = 0.2368 0.2673-0.0000 ( 5041 PWs) bands (ev): -13.1803 -13.1803 -13.1073 -13.1073 -11.3707 -11.3707 -11.2554 -11.2554 -5.5289 -5.5289 -5.1881 -5.1881 -2.8494 -2.8494 -2.5457 -2.5457 -1.6537 -1.6537 -1.5492 -1.5492 -1.4566 -1.4566 -1.2312 -1.2312 0.7084 0.7084 1.3466 1.3466 1.6009 1.6009 1.7955 1.7955 4.0127 4.0127 4.1454 4.1454 4.2058 4.2058 5.1710 5.1710 k = 0.2459 0.2775-0.0000 ( 5041 PWs) bands (ev): -13.1689 -13.1689 -13.1045 -13.1045 -11.3673 -11.3673 -11.2623 -11.2623 -5.5257 -5.5257 -5.1997 -5.1997 -2.8463 -2.8463 -2.5436 -2.5436 -1.6950 -1.6950 -1.5560 -1.5560 -1.4781 -1.4781 -1.2654 -1.2654 0.6953 0.6953 1.3393 1.3393 1.6111 1.6111 1.8088 1.8088 4.0229 4.0229 4.1207 4.1207 4.2419 4.2419 5.1942 5.1942 k = 0.2550 0.2878-0.0000 ( 5041 PWs) bands (ev): -13.1576 -13.1576 -13.1020 -13.1020 -11.3636 -11.3636 -11.2689 -11.2689 -5.5226 -5.5226 -5.2117 -5.2117 -2.8446 -2.8446 -2.5409 -2.5409 -1.7365 -1.7365 -1.5586 -1.5586 -1.4975 -1.4975 -1.2989 -1.2989 0.6816 0.6816 1.3260 1.3260 1.6176 1.6176 1.8191 1.8191 4.0301 4.0301 4.1017 4.1017 4.2836 4.2836 5.2170 5.2170 k = 0.2641 0.2981-0.0000 ( 5039 PWs) bands (ev): -13.1464 -13.1464 -13.0997 -13.0997 -11.3596 -11.3596 -11.2751 -11.2751 -5.5196 -5.5196 -5.2242 -5.2242 -2.8441 -2.8441 -2.5380 -2.5380 -1.7777 -1.7777 -1.5582 -1.5582 -1.5142 -1.5142 -1.3316 -1.3316 0.6672 0.6672 1.3066 1.3066 1.6203 1.6203 1.8271 1.8271 4.0313 4.0313 4.0919 4.0919 4.3298 4.3298 5.2392 5.2392 k = 0.2732 0.3084-0.0000 ( 5045 PWs) bands (ev): -13.1354 -13.1354 -13.0975 -13.0975 -11.3553 -11.3553 -11.2809 -11.2809 -5.5168 -5.5168 -5.2369 -5.2369 -2.8446 -2.8446 -2.5351 -2.5351 -1.8182 -1.8182 -1.5567 -1.5567 -1.5266 -1.5266 -1.3632 -1.3632 0.6523 0.6523 1.2812 1.2812 1.6189 1.6189 1.8332 1.8332 4.0254 4.0254 4.0922 4.0922 4.3802 4.3802 5.2607 5.2607 k = 0.2823 0.3187-0.0000 ( 5041 PWs) bands (ev): -13.1247 -13.1247 -13.0956 -13.0956 -11.3508 -11.3508 -11.2863 -11.2863 -5.5143 -5.5143 -5.2498 -5.2498 -2.8457 -2.8457 -2.5324 -2.5324 -1.8579 -1.8579 -1.5585 -1.5585 -1.5307 -1.5307 -1.3934 -1.3934 0.6370 0.6370 1.2499 1.2499 1.6133 1.6133 1.8384 1.8384 4.0161 4.0161 4.0988 4.0988 4.4341 4.4341 5.2816 5.2816 k = 0.2914 0.3289-0.0000 ( 5039 PWs) bands (ev): -13.1142 -13.1142 -13.0940 -13.0940 -11.3460 -11.3460 -11.2913 -11.2913 -5.5121 -5.5121 -5.2627 -5.2627 -2.8471 -2.8471 -2.5302 -2.5302 -1.8965 -1.8965 -1.5653 -1.5653 -1.5257 -1.5257 -1.4214 -1.4214 0.6213 0.6213 1.2131 1.2131 1.6033 1.6033 1.8432 1.8432 4.0066 4.0066 4.1081 4.1081 4.4911 4.4911 5.3018 5.3018 k = 0.3005 0.3392-0.0000 ( 5039 PWs) bands (ev): -13.1040 -13.1040 -13.0925 -13.0925 -11.3409 -11.3409 -11.2958 -11.2958 -5.5104 -5.5104 -5.2757 -5.2757 -2.8487 -2.8487 -2.5289 -2.5289 -1.9340 -1.9340 -1.5732 -1.5732 -1.5174 -1.5174 -1.4456 -1.4456 0.6054 0.6054 1.1712 1.1712 1.5890 1.5890 1.8481 1.8481 3.9984 3.9984 4.1185 4.1185 4.5507 4.5507 5.3213 5.3213 k = 0.3096 0.3495-0.0000 ( 5039 PWs) bands (ev): -13.0942 -13.0942 -13.0913 -13.0913 -11.3356 -11.3356 -11.2998 -11.2998 -5.5091 -5.5091 -5.2886 -5.2886 -2.8500 -2.8500 -2.5284 -2.5284 -1.9703 -1.9703 -1.5806 -1.5806 -1.5127 -1.5127 -1.4608 -1.4608 0.5893 0.5893 1.1248 1.1248 1.5706 1.5706 1.8535 1.8535 3.9916 3.9916 4.1292 4.1292 4.6121 4.6121 5.3401 5.3401 k = 0.3187 0.3598-0.0000 ( 5045 PWs) bands (ev): -13.0902 -13.0902 -13.0847 -13.0847 -11.3301 -11.3301 -11.3035 -11.3035 -5.5082 -5.5082 -5.3013 -5.3013 -2.8509 -2.8509 -2.5291 -2.5291 -2.0052 -2.0052 -1.5881 -1.5881 -1.5186 -1.5186 -1.4594 -1.4594 0.5732 0.5732 1.0744 1.0744 1.5486 1.5486 1.8595 1.8595 3.9864 3.9864 4.1400 4.1400 4.6750 4.6750 5.3581 5.3581 k = 0.3278 0.3700-0.0000 ( 5029 PWs) bands (ev): -13.0894 -13.0894 -13.0756 -13.0756 -11.3245 -11.3245 -11.3068 -11.3068 -5.5079 -5.5079 -5.3138 -5.3138 -2.8511 -2.8511 -2.5310 -2.5310 -2.0388 -2.0388 -1.5977 -1.5977 -1.5291 -1.5291 -1.4462 -1.4462 0.5569 0.5569 1.0209 1.0209 1.5235 1.5235 1.8659 1.8659 3.9826 3.9826 4.1507 4.1507 4.7387 4.7387 5.3754 5.3754 k = 0.3369 0.3803-0.0000 ( 5035 PWs) bands (ev): -13.0887 -13.0887 -13.0669 -13.0669 -11.3187 -11.3187 -11.3096 -11.3096 -5.5081 -5.5081 -5.3260 -5.3260 -2.8504 -2.8504 -2.5340 -2.5340 -2.0709 -2.0709 -1.6111 -1.6111 -1.5356 -1.5356 -1.4282 -1.4282 0.5406 0.5406 0.9649 0.9649 1.4961 1.4961 1.8726 1.8726 3.9800 3.9800 4.1611 4.1611 4.8028 4.8028 5.3919 5.3919 k = 0.3460 0.3906-0.0000 ( 5033 PWs) bands (ev): -13.0883 -13.0883 -13.0586 -13.0586 -11.3128 -11.3128 -11.3121 -11.3121 -5.5089 -5.5089 -5.3378 -5.3378 -2.8487 -2.8487 -2.5382 -2.5382 -2.1015 -2.1015 -1.6282 -1.6282 -1.5360 -1.5360 -1.4081 -1.4081 0.5242 0.5242 0.9071 0.9071 1.4668 1.4668 1.8796 1.8796 3.9785 3.9785 4.1711 4.1711 4.8668 4.8668 5.4077 5.4077 k = 0.3551 0.4009-0.0000 ( 5037 PWs) bands (ev): -13.0880 -13.0880 -13.0508 -13.0508 -11.3143 -11.3143 -11.3069 -11.3069 -5.5101 -5.5101 -5.3491 -5.3491 -2.8459 -2.8459 -2.5435 -2.5435 -2.1306 -2.1306 -1.6472 -1.6472 -1.5316 -1.5316 -1.3869 -1.3869 0.5077 0.5077 0.8484 0.8484 1.4363 1.4363 1.8867 1.8867 3.9778 3.9778 4.1808 4.1808 4.9303 4.9303 5.4228 5.4228 k = 0.3642 0.4112-0.0000 ( 5039 PWs) bands (ev): -13.0878 -13.0878 -13.0434 -13.0434 -11.3161 -11.3161 -11.3010 -11.3010 -5.5118 -5.5118 -5.3599 -5.3599 -2.8420 -2.8420 -2.5497 -2.5497 -2.1581 -2.1581 -1.6668 -1.6668 -1.5237 -1.5237 -1.3651 -1.3651 0.4909 0.4909 0.7897 0.7897 1.4051 1.4051 1.8938 1.8938 3.9780 3.9780 4.1901 4.1901 4.9928 4.9928 5.4371 5.4371 k = 0.3733 0.4214-0.0000 ( 5043 PWs) bands (ev): -13.0878 -13.0878 -13.0365 -13.0365 -11.3176 -11.3176 -11.2951 -11.2951 -5.5140 -5.5140 -5.3702 -5.3702 -2.8371 -2.8371 -2.5566 -2.5566 -2.1839 -2.1839 -1.6862 -1.6862 -1.5132 -1.5132 -1.3430 -1.3430 0.4734 0.4734 0.7321 0.7321 1.3737 1.3737 1.9007 1.9007 3.9789 3.9789 4.1988 4.1988 5.0539 5.0539 5.4508 5.4508 k = 0.3824 0.4317-0.0000 ( 5043 PWs) bands (ev): -13.0878 -13.0878 -13.0301 -13.0301 -11.3188 -11.3188 -11.2894 -11.2894 -5.5165 -5.5165 -5.3799 -5.3799 -2.8312 -2.8312 -2.5640 -2.5640 -2.2081 -2.2081 -1.7048 -1.7048 -1.5010 -1.5010 -1.3210 -1.3210 0.4548 0.4548 0.6767 0.6767 1.3426 1.3426 1.9074 1.9074 3.9804 3.9804 4.2072 4.2072 5.1132 5.1132 5.4638 5.4638 k = 0.3915 0.4420-0.0000 ( 5043 PWs) bands (ev): -13.0880 -13.0880 -13.0241 -13.0241 -11.3198 -11.3198 -11.2838 -11.2838 -5.5194 -5.5194 -5.3890 -5.3890 -2.8244 -2.8244 -2.5718 -2.5718 -2.2305 -2.2305 -1.7225 -1.7225 -1.4875 -1.4875 -1.2994 -1.2994 0.4342 0.4342 0.6251 0.6251 1.3121 1.3121 1.9139 1.9139 3.9825 3.9825 4.2150 4.2150 5.1703 5.1703 5.4763 5.4763 k = 0.4007 0.4523-0.0000 ( 5029 PWs) bands (ev): -13.0883 -13.0883 -13.0187 -13.0187 -11.3206 -11.3206 -11.2783 -11.2783 -5.5224 -5.5224 -5.3974 -5.3974 -2.8169 -2.8169 -2.5796 -2.5796 -2.2513 -2.2513 -1.7390 -1.7390 -1.4733 -1.4733 -1.2783 -1.2783 0.4105 0.4105 0.5792 0.5792 1.2827 1.2827 1.9199 1.9199 3.9849 3.9849 4.2222 4.2222 5.2248 5.2248 5.4884 5.4884 k = 0.4098 0.4626-0.0000 ( 5029 PWs) bands (ev): -13.0886 -13.0886 -13.0137 -13.0137 -11.3212 -11.3212 -11.2732 -11.2732 -5.5256 -5.5256 -5.4052 -5.4052 -2.8090 -2.8090 -2.5873 -2.5873 -2.2702 -2.2702 -1.7543 -1.7543 -1.4588 -1.4588 -1.2581 -1.2581 0.3825 0.3825 0.5407 0.5407 1.2547 1.2547 1.9256 1.9256 3.9878 3.9878 4.2289 4.2289 5.2761 5.2761 5.5002 5.5002 k = 0.4189 0.4728-0.0000 ( 5033 PWs) bands (ev): -13.0889 -13.0889 -13.0092 -13.0092 -11.3217 -11.3217 -11.2683 -11.2683 -5.5289 -5.5289 -5.4122 -5.4122 -2.8009 -2.8009 -2.5948 -2.5948 -2.2874 -2.2874 -1.7682 -1.7682 -1.4445 -1.4445 -1.2390 -1.2390 0.3501 0.3501 0.5104 0.5104 1.2284 1.2284 1.9308 1.9308 3.9909 3.9909 4.2350 4.2350 5.3236 5.3236 5.5121 5.5121 k = 0.4280 0.4831-0.0000 ( 5037 PWs) bands (ev): -13.0892 -13.0892 -13.0052 -13.0052 -11.3220 -11.3220 -11.2639 -11.2639 -5.5321 -5.5321 -5.4185 -5.4185 -2.7928 -2.7928 -2.6017 -2.6017 -2.3028 -2.3028 -1.7808 -1.7808 -1.4305 -1.4305 -1.2211 -1.2211 0.3148 0.3148 0.4875 0.4875 1.2041 1.2041 1.9356 1.9356 3.9941 3.9941 4.2405 4.2405 5.3664 5.3664 5.5244 5.5244 k = 0.4371 0.4934-0.0000 ( 5045 PWs) bands (ev): -13.0896 -13.0896 -13.0017 -13.0017 -11.3222 -11.3222 -11.2598 -11.2598 -5.5352 -5.5352 -5.4241 -5.4241 -2.7851 -2.7851 -2.6080 -2.6080 -2.3164 -2.3164 -1.7920 -1.7920 -1.4174 -1.4174 -1.2047 -1.2047 0.2790 0.2790 0.4702 0.4702 1.1820 1.1820 1.9398 1.9398 3.9974 3.9974 4.2454 4.2454 5.4036 5.4036 5.5378 5.5378 k = 0.4462 0.5037-0.0000 ( 5041 PWs) bands (ev): -13.0899 -13.0899 -12.9986 -12.9986 -11.3224 -11.3224 -11.2562 -11.2562 -5.5381 -5.5381 -5.4290 -5.4290 -2.7779 -2.7779 -2.6135 -2.6135 -2.3281 -2.3281 -1.8016 -1.8016 -1.4054 -1.4054 -1.1899 -1.1899 0.2448 0.2448 0.4571 0.4571 1.1625 1.1625 1.9435 1.9435 4.0006 4.0006 4.2496 4.2496 5.4341 5.4341 5.5528 5.5528 k = 0.4462 0.5037-0.0000 ( 5041 PWs) bands (ev): -13.0899 -13.0899 -12.9986 -12.9986 -11.3224 -11.3224 -11.2562 -11.2562 -5.5381 -5.5381 -5.4290 -5.4290 -2.7779 -2.7779 -2.6135 -2.6135 -2.3281 -2.3281 -1.8016 -1.8016 -1.4054 -1.4054 -1.1899 -1.1899 0.2448 0.2448 0.4571 0.4571 1.1625 1.1625 1.9435 1.9435 4.0006 4.0006 4.2496 4.2496 5.4341 5.4341 5.5528 5.5528 k = 0.4327 0.5037-0.0000 ( 5037 PWs) bands (ev): -13.0899 -13.0899 -13.0006 -13.0006 -11.3223 -11.3223 -11.2584 -11.2584 -5.5360 -5.5360 -5.4260 -5.4260 -2.7824 -2.7824 -2.6104 -2.6104 -2.3198 -2.3198 -1.7952 -1.7952 -1.4130 -1.4130 -1.1991 -1.1991 0.2676 0.2676 0.4663 0.4663 1.1747 1.1747 1.9402 1.9402 3.9991 3.9991 4.2471 4.2471 5.4146 5.4146 5.5418 5.5418 k = 0.4191 0.5037-0.0000 ( 5038 PWs) bands (ev): -13.0901 -13.0901 -13.0031 -13.0031 -11.3223 -11.3223 -11.2607 -11.2607 -5.5334 -5.5334 -5.4230 -5.4230 -2.7870 -2.7870 -2.6077 -2.6077 -2.3089 -2.3089 -1.7876 -1.7876 -1.4209 -1.4209 -1.2085 -1.2085 0.2927 0.2927 0.4789 0.4789 1.1873 1.1873 1.9346 1.9346 3.9988 3.9988 4.2447 4.2447 5.3915 5.3915 5.5293 5.5293 k = 0.4056 0.5037-0.0000 ( 5040 PWs) bands (ev): -13.0906 -13.0906 -13.0058 -13.0058 -11.3224 -11.3224 -11.2630 -11.2630 -5.5302 -5.5302 -5.4200 -5.4200 -2.7917 -2.7917 -2.6055 -2.6055 -2.2957 -2.2957 -1.7789 -1.7789 -1.4289 -1.4289 -1.2179 -1.2179 0.3198 0.3198 0.4950 0.4950 1.2005 1.2005 1.9267 1.9267 3.9997 3.9997 4.2423 4.2423 5.3653 5.3653 5.5151 5.5151 k = 0.3921 0.5037-0.0000 ( 5039 PWs) bands (ev): -13.0915 -13.0915 -13.0090 -13.0090 -11.3225 -11.3225 -11.2653 -11.2653 -5.5266 -5.5266 -5.4169 -5.4169 -2.7964 -2.7964 -2.6038 -2.6038 -2.2800 -2.2800 -1.7691 -1.7691 -1.4368 -1.4368 -1.2271 -1.2271 0.3484 0.3484 0.5148 0.5148 1.2140 1.2140 1.9166 1.9166 4.0015 4.0015 4.2400 4.2400 5.3367 5.3367 5.4991 5.4991 k = 0.3786 0.5037-0.0000 ( 5027 PWs) bands (ev): -13.0925 -13.0925 -13.0124 -13.0124 -11.3226 -11.3226 -11.2677 -11.2677 -5.5225 -5.5225 -5.4138 -5.4138 -2.8011 -2.8011 -2.6027 -2.6027 -2.2622 -2.2622 -1.7586 -1.7586 -1.4444 -1.4444 -1.2358 -1.2358 0.3780 0.3780 0.5382 0.5382 1.2278 1.2278 1.9044 1.9044 4.0043 4.0043 4.2377 4.2377 5.3058 5.3058 5.4811 5.4811 k = 0.3651 0.5037-0.0000 ( 5029 PWs) bands (ev): -13.0939 -13.0939 -13.0162 -13.0162 -11.3228 -11.3228 -11.2700 -11.2700 -5.5180 -5.5180 -5.4108 -5.4108 -2.8058 -2.8058 -2.6022 -2.6022 -2.2423 -2.2423 -1.7475 -1.7475 -1.4514 -1.4514 -1.2436 -1.2436 0.4081 0.4081 0.5653 0.5653 1.2419 1.2419 1.8899 1.8899 4.0078 4.0078 4.2353 4.2353 5.2731 5.2731 5.4614 5.4614 k = 0.3515 0.5037-0.0000 ( 5029 PWs) bands (ev): -13.0954 -13.0954 -13.0203 -13.0203 -11.3230 -11.3230 -11.2724 -11.2724 -5.5131 -5.5131 -5.4077 -5.4077 -2.8104 -2.8104 -2.6023 -2.6023 -2.2206 -2.2206 -1.7362 -1.7362 -1.4576 -1.4576 -1.2504 -1.2504 0.4384 0.4384 0.5959 0.5959 1.2562 1.2562 1.8733 1.8733 4.0120 4.0120 4.2330 4.2330 5.2388 5.2388 5.4399 5.4399 k = 0.3380 0.5037-0.0000 ( 5028 PWs) bands (ev): -13.0972 -13.0972 -13.0246 -13.0246 -11.3233 -11.3233 -11.2748 -11.2748 -5.5079 -5.5079 -5.4047 -5.4047 -2.8149 -2.8149 -2.6029 -2.6029 -2.1974 -2.1974 -1.7249 -1.7249 -1.4626 -1.4626 -1.2555 -1.2555 0.4686 0.4686 0.6299 0.6299 1.2705 1.2705 1.8546 1.8546 4.0166 4.0166 4.2306 4.2306 5.2033 5.2033 5.4168 5.4168 k = 0.3245 0.5037-0.0000 ( 5036 PWs) bands (ev): -13.0991 -13.0991 -13.0292 -13.0292 -11.3235 -11.3235 -11.2772 -11.2772 -5.5023 -5.5023 -5.4017 -5.4017 -2.8193 -2.8193 -2.6042 -2.6042 -2.1730 -2.1730 -1.7142 -1.7142 -1.4661 -1.4661 -1.2586 -1.2586 0.4985 0.4985 0.6668 0.6668 1.2849 1.2849 1.8341 1.8341 4.0216 4.0216 4.2281 4.2281 5.1667 5.1667 5.3923 5.3923 k = 0.3110 0.5037-0.0000 ( 5036 PWs) bands (ev): -13.1011 -13.1011 -13.0339 -13.0339 -11.3238 -11.3238 -11.2796 -11.2796 -5.4965 -5.4965 -5.3988 -5.3988 -2.8235 -2.8235 -2.6060 -2.6060 -2.1478 -2.1478 -1.7046 -1.7046 -1.4677 -1.4677 -1.2593 -1.2593 0.5281 0.5281 0.7063 0.7063 1.2992 1.2992 1.8116 1.8116 4.0266 4.0266 4.2254 4.2254 5.1294 5.1294 5.3665 5.3665 k = 0.2975 0.5037-0.0000 ( 5025 PWs) bands (ev): -13.1033 -13.1033 -13.0388 -13.0388 -11.3241 -11.3241 -11.2820 -11.2820 -5.4905 -5.4905 -5.3959 -5.3959 -2.8273 -2.8273 -2.6084 -2.6084 -2.1223 -2.1223 -1.6965 -1.6965 -1.4671 -1.4671 -1.2569 -1.2569 0.5574 0.5574 0.7477 0.7477 1.3133 1.3133 1.7875 1.7875 4.0317 4.0317 4.2228 4.2228 5.0916 5.0916 5.3398 5.3398 k = 0.2839 0.5037-0.0000 ( 5025 PWs) bands (ev): -13.1056 -13.1056 -13.0439 -13.0439 -11.3245 -11.3245 -11.2844 -11.2844 -5.4843 -5.4843 -5.3931 -5.3931 -2.8309 -2.8309 -2.6113 -2.6113 -2.0968 -2.0968 -1.6903 -1.6903 -1.4639 -1.4639 -1.2511 -1.2511 0.5862 0.5862 0.7905 0.7905 1.3270 1.3270 1.7620 1.7620 4.0365 4.0365 4.2200 4.2200 5.0535 5.0535 5.3121 5.3121 k = 0.2704 0.5037-0.0000 ( 5029 PWs) bands (ev): -13.1080 -13.1080 -13.0490 -13.0490 -11.3248 -11.3248 -11.2868 -11.2868 -5.4780 -5.4780 -5.3904 -5.3904 -2.8340 -2.8340 -2.6147 -2.6147 -2.0721 -2.0721 -1.6863 -1.6863 -1.4578 -1.4578 -1.2417 -1.2417 0.6145 0.6145 0.8343 0.8343 1.3402 1.3402 1.7352 1.7352 4.0411 4.0411 4.2171 4.2171 5.0154 5.0154 5.2838 5.2838 k = 0.2569 0.5037-0.0000 ( 5029 PWs) bands (ev): -13.1104 -13.1104 -13.0542 -13.0542 -11.3251 -11.3251 -11.2891 -11.2891 -5.4716 -5.4716 -5.3879 -5.3879 -2.8367 -2.8367 -2.6186 -2.6186 -2.0485 -2.0485 -1.6846 -1.6846 -1.4485 -1.4485 -1.2285 -1.2285 0.6422 0.6422 0.8786 0.8786 1.3526 1.3526 1.7075 1.7075 4.0453 4.0453 4.2143 4.2143 4.9774 4.9774 5.2549 5.2549 k = 0.2434 0.5037-0.0000 ( 5029 PWs) bands (ev): -13.1128 -13.1128 -13.0595 -13.0595 -11.3254 -11.3254 -11.2915 -11.2915 -5.4651 -5.4651 -5.3854 -5.3854 -2.8389 -2.8389 -2.6230 -2.6230 -2.0265 -2.0265 -1.6852 -1.6852 -1.4356 -1.4356 -1.2116 -1.2116 0.6691 0.6691 0.9230 0.9230 1.3638 1.3638 1.6794 1.6794 4.0492 4.0492 4.2115 4.2115 4.9399 4.9399 5.2256 5.2256 k = 0.2299 0.5037-0.0000 ( 5022 PWs) bands (ev): -13.1152 -13.1152 -13.0647 -13.0647 -11.3257 -11.3257 -11.2937 -11.2937 -5.4587 -5.4587 -5.3831 -5.3831 -2.8405 -2.8405 -2.6279 -2.6279 -2.0066 -2.0066 -1.6878 -1.6878 -1.4190 -1.4190 -1.1914 -1.1914 0.6951 0.6951 0.9668 0.9668 1.3735 1.3735 1.6515 1.6515 4.0526 4.0526 4.2089 4.2089 4.9031 4.9031 5.1959 5.1959 k = 0.2163 0.5037-0.0000 ( 5033 PWs) bands (ev): -13.1175 -13.1175 -13.0700 -13.0700 -11.3260 -11.3260 -11.2960 -11.2960 -5.4523 -5.4523 -5.3810 -5.3810 -2.8415 -2.8415 -2.6332 -2.6332 -1.9889 -1.9889 -1.6924 -1.6924 -1.3985 -1.3985 -1.1684 -1.1684 0.7200 0.7200 1.0097 1.0097 1.3808 1.3808 1.6249 1.6249 4.0558 4.0558 4.2065 4.2065 4.8671 4.8671 5.1660 5.1660 k = 0.2028 0.5037-0.0000 ( 5035 PWs) bands (ev): -13.1198 -13.1198 -13.0752 -13.0752 -11.3262 -11.3262 -11.2982 -11.2982 -5.4459 -5.4459 -5.3790 -5.3790 -2.8418 -2.8418 -2.6390 -2.6390 -1.9736 -1.9736 -1.6987 -1.6987 -1.3741 -1.3741 -1.1431 -1.1431 0.7435 0.7435 1.0509 1.0509 1.3850 1.3850 1.6006 1.6006 4.0586 4.0586 4.2045 4.2045 4.8323 4.8323 5.1358 5.1358 k = 0.1893 0.5037-0.0000 ( 5035 PWs) bands (ev): -13.1219 -13.1219 -13.0802 -13.0802 -11.3265 -11.3265 -11.3004 -11.3004 -5.4397 -5.4397 -5.3773 -5.3773 -2.8414 -2.8414 -2.6452 -2.6452 -1.9605 -1.9605 -1.7064 -1.7064 -1.3461 -1.3461 -1.1161 -1.1161 0.7657 0.7657 1.0897 1.0897 1.3853 1.3853 1.5801 1.5801 4.0614 4.0614 4.2030 4.2030 4.7988 4.7988 5.1053 5.1053 k = 0.1758 0.5037-0.0000 ( 5031 PWs) bands (ev): -13.1240 -13.1240 -13.0852 -13.0852 -11.3266 -11.3266 -11.3025 -11.3025 -5.4336 -5.4336 -5.3757 -5.3757 -2.8402 -2.8402 -2.6519 -2.6519 -1.9495 -1.9495 -1.7152 -1.7152 -1.3147 -1.3147 -1.0882 -1.0882 0.7864 0.7864 1.1249 1.1249 1.3814 1.3814 1.5649 1.5649 4.0643 4.0643 4.2020 4.2020 4.7669 4.7669 5.0745 5.0745 k = 0.1622 0.5037-0.0000 ( 5025 PWs) bands (ev): -13.1259 -13.1259 -13.0901 -13.0901 -11.3268 -11.3268 -11.3045 -11.3045 -5.4277 -5.4277 -5.3743 -5.3743 -2.8384 -2.8384 -2.6589 -2.6589 -1.9401 -1.9401 -1.7251 -1.7251 -1.2806 -1.2806 -1.0599 -1.0599 0.8056 0.8056 1.1545 1.1545 1.3745 1.3745 1.5553 1.5553 4.0674 4.0674 4.2016 4.2016 4.7369 4.7369 5.0433 5.0433 k = 0.1487 0.5037-0.0000 ( 5025 PWs) bands (ev): -13.1276 -13.1276 -13.0947 -13.0947 -11.3268 -11.3268 -11.3065 -11.3065 -5.4220 -5.4220 -5.3731 -5.3731 -2.8358 -2.8358 -2.6664 -2.6664 -1.9321 -1.9321 -1.7356 -1.7356 -1.2444 -1.2444 -1.0318 -1.0318 0.8231 0.8231 1.1755 1.1755 1.3686 1.3686 1.5506 1.5506 4.0709 4.0709 4.2018 4.2018 4.7091 4.7091 5.0117 5.0117 k = 0.1352 0.5037-0.0000 ( 5021 PWs) bands (ev): -13.1291 -13.1291 -13.0992 -13.0992 -11.3269 -11.3269 -11.3084 -11.3084 -5.4166 -5.4166 -5.3722 -5.3722 -2.8324 -2.8324 -2.6743 -2.6743 -1.9251 -1.9251 -1.7467 -1.7467 -1.2068 -1.2068 -1.0047 -1.0047 0.8392 0.8392 1.1841 1.1841 1.3686 1.3686 1.5495 1.5495 4.0751 4.0751 4.2025 4.2025 4.6839 4.6839 4.9797 4.9797 k = 0.1217 0.5037-0.0000 ( 5022 PWs) bands (ev): -13.1304 -13.1304 -13.1035 -13.1035 -11.3268 -11.3268 -11.3102 -11.3102 -5.4114 -5.4114 -5.3715 -5.3715 -2.8283 -2.8283 -2.6825 -2.6825 -1.9187 -1.9187 -1.7581 -1.7581 -1.1685 -1.1685 -0.9792 -0.9792 0.8538 0.8538 1.1791 1.1791 1.3774 1.3774 1.5504 1.5504 4.0800 4.0800 4.2034 4.2034 4.6617 4.6617 4.9473 4.9473 k = 0.1082 0.5037-0.0000 ( 5030 PWs) bands (ev): -13.1314 -13.1314 -13.1075 -13.1075 -11.3267 -11.3267 -11.3120 -11.3120 -5.4065 -5.4065 -5.3711 -5.3711 -2.8235 -2.8235 -2.6910 -2.6910 -1.9127 -1.9127 -1.7697 -1.7697 -1.1302 -1.1302 -0.9557 -0.9557 0.8673 0.8673 1.1632 1.1632 1.3935 1.3935 1.5522 1.5522 4.0859 4.0859 4.2042 4.2042 4.6430 4.6430 4.9145 4.9145 k = 0.0946 0.5037-0.0000 ( 5028 PWs) bands (ev): -13.1322 -13.1322 -13.1113 -13.1113 -11.3265 -11.3265 -11.3136 -11.3136 -5.4018 -5.4018 -5.3710 -5.3710 -2.8180 -2.8180 -2.6998 -2.6998 -1.9067 -1.9067 -1.7814 -1.7814 -1.0927 -1.0927 -0.9350 -0.9350 0.8799 0.8799 1.1408 1.1408 1.4134 1.4134 1.5540 1.5540 4.0928 4.0928 4.2045 4.2045 4.6284 4.6284 4.8815 4.8815 k = 0.0811 0.5037-0.0000 ( 5030 PWs) bands (ev): -13.1327 -13.1327 -13.1148 -13.1148 -11.3262 -11.3262 -11.3152 -11.3152 -5.3975 -5.3975 -5.3711 -5.3711 -2.8119 -2.8119 -2.7088 -2.7088 -1.9006 -1.9006 -1.7929 -1.7929 -1.0566 -1.0566 -0.9176 -0.9176 0.8918 0.8918 1.1152 1.1152 1.4345 1.4345 1.5552 1.5552 4.1006 4.1006 4.2038 4.2038 4.6186 4.6186 4.8485 4.8485 k = 0.0676 0.5037-0.0000 ( 5027 PWs) bands (ev): -13.1330 -13.1330 -13.1180 -13.1180 -11.3258 -11.3258 -11.3167 -11.3167 -5.3935 -5.3935 -5.3716 -5.3716 -2.8052 -2.8052 -2.7180 -2.7180 -1.8943 -1.8943 -1.8043 -1.8043 -1.0226 -1.0226 -0.9039 -0.9039 0.9036 0.9036 1.0887 1.0887 1.4551 1.4551 1.5554 1.5554 4.1096 4.1096 4.2016 4.2016 4.6140 4.6140 4.8158 4.8158 k = 0.0541 0.5037-0.0000 ( 5035 PWs) bands (ev): -13.1329 -13.1329 -13.1210 -13.1210 -11.3254 -11.3254 -11.3181 -11.3181 -5.3898 -5.3898 -5.3723 -5.3723 -2.7979 -2.7979 -2.7273 -2.7273 -1.8876 -1.8876 -1.8154 -1.8154 -0.9914 -0.9914 -0.8945 -0.8945 0.9156 0.9156 1.0626 1.0626 1.4744 1.4744 1.5542 1.5542 4.1194 4.1194 4.1975 4.1975 4.6149 4.6149 4.7836 4.7836 k = 0.0406 0.5037-0.0000 ( 5033 PWs) bands (ev): -13.1325 -13.1325 -13.1236 -13.1236 -11.3248 -11.3248 -11.3193 -11.3193 -5.3865 -5.3865 -5.3734 -5.3734 -2.7901 -2.7901 -2.7367 -2.7367 -1.8804 -1.8804 -1.8262 -1.8262 -0.9635 -0.9635 -0.8896 -0.8896 0.9282 0.9282 1.0377 1.0377 1.4919 1.4919 1.5514 1.5514 4.1300 4.1300 4.1915 4.1915 4.6214 4.6214 4.7525 4.7525 k = 0.0270 0.5037-0.0000 ( 5032 PWs) bands (ev): -13.1319 -13.1319 -13.1259 -13.1259 -11.3242 -11.3242 -11.3205 -11.3205 -5.3835 -5.3835 -5.3747 -5.3747 -2.7819 -2.7819 -2.7461 -2.7461 -1.8727 -1.8727 -1.8365 -1.8365 -0.9395 -0.9395 -0.8896 -0.8896 0.9420 0.9420 1.0145 1.0145 1.5072 1.5072 1.5468 1.5468 4.1411 4.1411 4.1836 4.1836 4.6333 4.6333 4.7230 4.7230 k = 0.0135 0.5037-0.0000 ( 5036 PWs) bands (ev): -13.1309 -13.1309 -13.1279 -13.1279 -11.3234 -11.3234 -11.3216 -11.3216 -5.3808 -5.3808 -5.3764 -5.3764 -2.7733 -2.7733 -2.7553 -2.7553 -1.8645 -1.8645 -1.8464 -1.8464 -0.9198 -0.9198 -0.8947 -0.8947 0.9573 0.9573 0.9934 0.9934 1.5204 1.5204 1.5402 1.5402 4.1525 4.1525 4.1742 4.1742 4.6501 4.6501 4.6956 4.6956 k = 0.0000 0.5037-0.0000 ( 5032 PWs) bands (ev): -13.1295 -13.1295 -13.1295 -13.1295 -11.3226 -11.3226 -11.3226 -11.3226 -5.3784 -5.3784 -5.3784 -5.3784 -2.7645 -2.7645 -2.7645 -2.7645 -1.8557 -1.8557 -1.8557 -1.8557 -0.9048 -0.9048 -0.9048 -0.9048 0.9743 0.9743 0.9743 0.9743 1.5314 1.5314 1.5314 1.5314 4.1637 4.1637 4.1637 4.1637 4.6711 4.6711 4.6711 4.6711 k = 0.0000 0.5037-0.0000 ( 5032 PWs) bands (ev): -13.1295 -13.1295 -13.1295 -13.1295 -11.3226 -11.3226 -11.3226 -11.3226 -5.3784 -5.3784 -5.3784 -5.3784 -2.7645 -2.7645 -2.7645 -2.7645 -1.8557 -1.8557 -1.8557 -1.8557 -0.9048 -0.9048 -0.9048 -0.9048 0.9743 0.9743 0.9743 0.9743 1.5314 1.5314 1.5314 1.5314 4.1637 4.1637 4.1637 4.1637 4.6711 4.6711 4.6711 4.6711 k = 0.0000 0.5037 0.0134 ( 5024 PWs) bands (ev): -13.1295 -13.1295 -13.1295 -13.1295 -11.3226 -11.3226 -11.3225 -11.3225 -5.3784 -5.3784 -5.3780 -5.3780 -2.7683 -2.7683 -2.7641 -2.7641 -1.8570 -1.8570 -1.8504 -1.8504 -0.9056 -0.9056 -0.9035 -0.9035 0.9644 0.9644 0.9814 0.9814 1.5228 1.5228 1.5415 1.5415 4.1601 4.1601 4.1656 4.1656 4.6692 4.6692 4.6756 4.6756 k = 0.0000 0.5037 0.0268 ( 5024 PWs) bands (ev): -13.1295 -13.1295 -13.1295 -13.1295 -11.3226 -11.3226 -11.3225 -11.3225 -5.3780 -5.3780 -5.3771 -5.3771 -2.7756 -2.7756 -2.7673 -2.7673 -1.8545 -1.8545 -1.8415 -1.8415 -0.9061 -0.9061 -0.9018 -0.9018 0.9519 0.9519 0.9856 0.9856 1.5159 1.5159 1.5529 1.5529 4.1549 4.1549 4.1657 4.1657 4.6700 4.6700 4.6825 4.6825 k = 0.0000 0.5037 0.0403 ( 5022 PWs) bands (ev): -13.1295 -13.1295 -13.1295 -13.1295 -11.3227 -11.3227 -11.3226 -11.3226 -5.3771 -5.3771 -5.3758 -5.3758 -2.7859 -2.7859 -2.7738 -2.7738 -1.8483 -1.8483 -1.8291 -1.8291 -0.9061 -0.9061 -0.8997 -0.8997 0.9374 0.9374 0.9866 0.9866 1.5109 1.5109 1.5651 1.5651 4.1484 4.1484 4.1642 4.1642 4.6733 4.6733 4.6916 4.6916 k = 0.0000 0.5037 0.0537 ( 5024 PWs) bands (ev): -13.1295 -13.1295 -13.1294 -13.1294 -11.3228 -11.3228 -11.3226 -11.3226 -5.3759 -5.3759 -5.3741 -5.3741 -2.7989 -2.7989 -2.7832 -2.7832 -1.8390 -1.8390 -1.8139 -1.8139 -0.9057 -0.9057 -0.8972 -0.8972 0.9210 0.9210 0.9845 0.9845 1.5078 1.5078 1.5779 1.5779 4.1409 4.1409 4.1611 4.1611 4.6790 4.6790 4.7026 4.7026 k = 0.0000 0.5037 0.0671 ( 5022 PWs) bands (ev): -13.1295 -13.1295 -13.1294 -13.1294 -11.3229 -11.3229 -11.3227 -11.3227 -5.3743 -5.3743 -5.3721 -5.3721 -2.8139 -2.8139 -2.7951 -2.7951 -1.8269 -1.8269 -1.7963 -1.7963 -0.9050 -0.9050 -0.8943 -0.8943 0.9034 0.9034 0.9797 0.9797 1.5066 1.5066 1.5910 1.5910 4.1325 4.1325 4.1567 4.1567 4.6867 4.6867 4.7150 4.7150 k = 0.0000 0.5037 0.0805 ( 5022 PWs) bands (ev): -13.1295 -13.1295 -13.1294 -13.1294 -11.3230 -11.3230 -11.3228 -11.3228 -5.3723 -5.3723 -5.3697 -5.3697 -2.8304 -2.8304 -2.8088 -2.8088 -1.8127 -1.8127 -1.7770 -1.7770 -0.9039 -0.9039 -0.8911 -0.8911 0.8849 0.8849 0.9723 0.9723 1.5070 1.5070 1.6040 1.6040 4.1237 4.1237 4.1513 4.1513 4.6962 4.6962 4.7286 4.7286 k = 0.0000 0.5037 0.0939 ( 5022 PWs) bands (ev): -13.1295 -13.1295 -13.1293 -13.1293 -11.3231 -11.3231 -11.3228 -11.3228 -5.3702 -5.3702 -5.3672 -5.3672 -2.8478 -2.8478 -2.8239 -2.8239 -1.7970 -1.7970 -1.7566 -1.7566 -0.9025 -0.9025 -0.8876 -0.8876 0.8658 0.8658 0.9628 0.9628 1.5088 1.5088 1.6167 1.6167 4.1146 4.1146 4.1451 4.1451 4.7069 4.7069 4.7429 4.7429 k = 0.0000 0.5037 0.1074 ( 5028 PWs) bands (ev): -13.1295 -13.1295 -13.1293 -13.1293 -11.3233 -11.3233 -11.3229 -11.3229 -5.3679 -5.3679 -5.3645 -5.3645 -2.8656 -2.8656 -2.8397 -2.8397 -1.7805 -1.7805 -1.7358 -1.7358 -0.9008 -0.9008 -0.8838 -0.8838 0.8467 0.8467 0.9518 0.9518 1.5116 1.5116 1.6289 1.6289 4.1056 4.1056 4.1385 4.1385 4.7185 4.7185 4.7574 4.7574 k = 0.0000 0.5037 0.1208 ( 5026 PWs) bands (ev): -13.1294 -13.1294 -13.1292 -13.1292 -11.3234 -11.3234 -11.3230 -11.3230 -5.3654 -5.3654 -5.3617 -5.3617 -2.8832 -2.8832 -2.8556 -2.8556 -1.7638 -1.7638 -1.7152 -1.7152 -0.8990 -0.8990 -0.8799 -0.8799 0.8279 0.8279 0.9398 0.9398 1.5152 1.5152 1.6405 1.6405 4.0968 4.0968 4.1317 4.1317 4.7305 4.7305 4.7719 4.7719 k = 0.0000 0.5037 0.1342 ( 5028 PWs) bands (ev): -13.1294 -13.1294 -13.1292 -13.1292 -11.3235 -11.3235 -11.3231 -11.3231 -5.3630 -5.3630 -5.3589 -5.3589 -2.9003 -2.9003 -2.8712 -2.8712 -1.7474 -1.7474 -1.6952 -1.6952 -0.8969 -0.8969 -0.8760 -0.8760 0.8098 0.8098 0.9273 0.9273 1.5193 1.5193 1.6511 1.6511 4.0885 4.0885 4.1249 4.1249 4.7425 4.7425 4.7860 4.7860 k = 0.0000 0.5037 0.1476 ( 5022 PWs) bands (ev): -13.1294 -13.1294 -13.1292 -13.1292 -11.3236 -11.3236 -11.3232 -11.3232 -5.3606 -5.3606 -5.3562 -5.3562 -2.9163 -2.9163 -2.8860 -2.8860 -1.7319 -1.7319 -1.6764 -1.6764 -0.8948 -0.8948 -0.8720 -0.8720 0.7928 0.7928 0.9149 0.9149 1.5235 1.5235 1.6608 1.6608 4.0809 4.0809 4.1185 4.1185 4.7541 4.7541 4.7993 4.7993 k = 0.0000 0.5037 0.1610 ( 5032 PWs) bands (ev): -13.1294 -13.1294 -13.1291 -13.1291 -11.3238 -11.3238 -11.3233 -11.3233 -5.3583 -5.3583 -5.3536 -5.3536 -2.9309 -2.9309 -2.8997 -2.8997 -1.7175 -1.7175 -1.6592 -1.6592 -0.8927 -0.8927 -0.8683 -0.8683 0.7771 0.7771 0.9030 0.9030 1.5276 1.5276 1.6694 1.6694 4.0739 4.0739 4.1126 4.1126 4.7650 4.7650 4.8116 4.8116 k = 0.0000 0.5037 0.1744 ( 5038 PWs) bands (ev): -13.1294 -13.1294 -13.1291 -13.1291 -11.3239 -11.3239 -11.3234 -11.3234 -5.3562 -5.3562 -5.3513 -5.3513 -2.9438 -2.9438 -2.9118 -2.9118 -1.7048 -1.7048 -1.6441 -1.6441 -0.8907 -0.8907 -0.8648 -0.8648 0.7633 0.7633 0.8921 0.8921 1.5314 1.5314 1.6768 1.6768 4.0679 4.0679 4.1073 4.1073 4.7748 4.7748 4.8224 4.8224 k = 0.0000 0.5037 0.1879 ( 5038 PWs) bands (ev): -13.1293 -13.1293 -13.1291 -13.1291 -11.3239 -11.3239 -11.3235 -11.3235 -5.3544 -5.3544 -5.3493 -5.3493 -2.9547 -2.9547 -2.9221 -2.9221 -1.6940 -1.6940 -1.6312 -1.6312 -0.8889 -0.8889 -0.8617 -0.8617 0.7515 0.7515 0.8827 0.8827 1.5347 1.5347 1.6830 1.6830 4.0628 4.0628 4.1028 4.1028 4.7832 4.7832 4.8317 4.8317 k = 0.0000 0.5037 0.2013 ( 5044 PWs) bands (ev): -13.1293 -13.1293 -13.1290 -13.1290 -11.3240 -11.3240 -11.3236 -11.3236 -5.3530 -5.3530 -5.3477 -5.3477 -2.9634 -2.9634 -2.9304 -2.9304 -1.6853 -1.6853 -1.6210 -1.6210 -0.8873 -0.8873 -0.8592 -0.8592 0.7421 0.7421 0.8749 0.8749 1.5375 1.5375 1.6878 1.6878 4.0588 4.0588 4.0992 4.0992 4.7900 4.7900 4.8391 4.8391 k = 0.0000 0.5037 0.2147 ( 5044 PWs) bands (ev): -13.1293 -13.1293 -13.1290 -13.1290 -11.3241 -11.3241 -11.3236 -11.3236 -5.3519 -5.3519 -5.3465 -5.3465 -2.9698 -2.9698 -2.9364 -2.9364 -1.6790 -1.6790 -1.6135 -1.6135 -0.8862 -0.8862 -0.8573 -0.8573 0.7352 0.7352 0.8692 0.8692 1.5395 1.5395 1.6913 1.6913 4.0559 4.0559 4.0966 4.0966 4.7950 4.7950 4.8446 4.8446 k = 0.0000 0.5037 0.2281 ( 5048 PWs) bands (ev): -13.1293 -13.1293 -13.1290 -13.1290 -11.3241 -11.3241 -11.3236 -11.3236 -5.3512 -5.3512 -5.3458 -5.3458 -2.9736 -2.9736 -2.9400 -2.9400 -1.6752 -1.6752 -1.6089 -1.6089 -0.8855 -0.8855 -0.8561 -0.8561 0.7310 0.7310 0.8657 0.8657 1.5407 1.5407 1.6934 1.6934 4.0541 4.0541 4.0950 4.0950 4.7981 4.7981 4.8479 4.8479 k = 0.0000 0.5037 0.2415 ( 5048 PWs) bands (ev): -13.1293 -13.1293 -13.1290 -13.1290 -11.3241 -11.3241 -11.3236 -11.3236 -5.3510 -5.3510 -5.3456 -5.3456 -2.9749 -2.9749 -2.9413 -2.9413 -1.6739 -1.6739 -1.6074 -1.6074 -0.8852 -0.8852 -0.8557 -0.8557 0.7295 0.7295 0.8645 0.8645 1.5411 1.5411 1.6941 1.6941 4.0536 4.0536 4.0945 4.0945 4.7991 4.7991 4.8490 4.8490 k = 0.0000 0.5037 0.2415 ( 5048 PWs) bands (ev): -13.1293 -13.1293 -13.1290 -13.1290 -11.3241 -11.3241 -11.3236 -11.3236 -5.3510 -5.3510 -5.3456 -5.3456 -2.9749 -2.9749 -2.9413 -2.9413 -1.6739 -1.6739 -1.6074 -1.6074 -0.8852 -0.8852 -0.8557 -0.8557 0.7295 0.7295 0.8645 0.8645 1.5411 1.5411 1.6941 1.6941 4.0536 4.0536 4.0945 4.0945 4.7991 4.7991 4.8490 4.8490 k = 0.0135 0.5037 0.2415 ( 5046 PWs) bands (ev): -13.1291 -13.1291 -13.1289 -13.1289 -11.3241 -11.3241 -11.3236 -11.3236 -5.3513 -5.3513 -5.3458 -5.3458 -2.9744 -2.9744 -2.9407 -2.9407 -1.6742 -1.6742 -1.6077 -1.6077 -0.8879 -0.8879 -0.8583 -0.8583 0.7305 0.7305 0.8655 0.8655 1.5404 1.5404 1.6935 1.6935 4.0548 4.0548 4.0958 4.0958 4.7990 4.7990 4.8489 4.8489 k = 0.0270 0.5037 0.2415 ( 5050 PWs) bands (ev): -13.1287 -13.1287 -13.1284 -13.1284 -11.3239 -11.3239 -11.3234 -11.3234 -5.3520 -5.3520 -5.3466 -5.3466 -2.9727 -2.9727 -2.9391 -2.9391 -1.6751 -1.6751 -1.6085 -1.6085 -0.8958 -0.8958 -0.8661 -0.8661 0.7331 0.7331 0.8686 0.8686 1.5380 1.5380 1.6915 1.6915 4.0583 4.0583 4.0995 4.0995 4.7988 4.7988 4.8486 4.8486 k = 0.0406 0.5037 0.2415 ( 5056 PWs) bands (ev): -13.1279 -13.1279 -13.1276 -13.1276 -11.3236 -11.3236 -11.3231 -11.3231 -5.3532 -5.3532 -5.3478 -5.3478 -2.9700 -2.9700 -2.9365 -2.9365 -1.6767 -1.6767 -1.6098 -1.6098 -0.9086 -0.9086 -0.8789 -0.8789 0.7373 0.7373 0.8734 0.8734 1.5340 1.5340 1.6883 1.6883 4.0643 4.0643 4.1057 4.1057 4.7983 4.7983 4.8480 4.8480 k = 0.0541 0.5037 0.2415 ( 5052 PWs) bands (ev): -13.1267 -13.1267 -13.1265 -13.1265 -11.3232 -11.3232 -11.3228 -11.3228 -5.3549 -5.3549 -5.3495 -5.3495 -2.9663 -2.9663 -2.9327 -2.9327 -1.6789 -1.6789 -1.6117 -1.6117 -0.9262 -0.9262 -0.8961 -0.8961 0.7428 0.7428 0.8797 0.8797 1.5286 1.5286 1.6838 1.6838 4.0726 4.0726 4.1144 4.1144 4.7979 4.7979 4.8475 4.8475 k = 0.0676 0.5037 0.2415 ( 5048 PWs) bands (ev): -13.1253 -13.1253 -13.1251 -13.1251 -11.3227 -11.3227 -11.3223 -11.3223 -5.3571 -5.3571 -5.3517 -5.3517 -2.9614 -2.9614 -2.9280 -2.9280 -1.6819 -1.6819 -1.6143 -1.6143 -0.9479 -0.9479 -0.9176 -0.9176 0.7493 0.7493 0.8872 0.8872 1.5216 1.5216 1.6780 1.6780 4.0832 4.0832 4.1256 4.1256 4.7976 4.7976 4.8471 4.8471 k = 0.0811 0.5037 0.2415 ( 5052 PWs) bands (ev): -13.1236 -13.1236 -13.1233 -13.1233 -11.3222 -11.3222 -11.3217 -11.3217 -5.3597 -5.3597 -5.3544 -5.3544 -2.9556 -2.9556 -2.9222 -2.9222 -1.6856 -1.6856 -1.6176 -1.6176 -0.9734 -0.9734 -0.9425 -0.9425 0.7563 0.7563 0.8954 0.8954 1.5132 1.5132 1.6709 1.6709 4.0961 4.0961 4.1390 4.1390 4.7975 4.7975 4.8470 4.8470 k = 0.0946 0.5037 0.2415 ( 5052 PWs) bands (ev): -13.1216 -13.1216 -13.1214 -13.1214 -11.3215 -11.3215 -11.3210 -11.3210 -5.3627 -5.3627 -5.3575 -5.3575 -2.9487 -2.9487 -2.9154 -2.9154 -1.6902 -1.6902 -1.6217 -1.6217 -1.0018 -1.0018 -0.9705 -0.9705 0.7635 0.7635 0.9039 0.9039 1.5033 1.5033 1.6625 1.6625 4.1112 4.1112 4.1548 4.1548 4.7978 4.7978 4.8473 4.8473 k = 0.1082 0.5037 0.2415 ( 5054 PWs) bands (ev): -13.1194 -13.1194 -13.1191 -13.1191 -11.3207 -11.3207 -11.3202 -11.3202 -5.3662 -5.3662 -5.3611 -5.3611 -2.9409 -2.9409 -2.9077 -2.9077 -1.6958 -1.6958 -1.6267 -1.6267 -1.0327 -1.0327 -1.0007 -1.0007 0.7705 0.7705 0.9121 0.9121 1.4921 1.4921 1.6527 1.6527 4.1283 4.1283 4.1728 4.1728 4.7987 4.7987 4.8482 4.8482 k = 0.1217 0.5037 0.2415 ( 5052 PWs) bands (ev): -13.1168 -13.1168 -13.1166 -13.1166 -11.3198 -11.3198 -11.3194 -11.3194 -5.3700 -5.3700 -5.3650 -5.3650 -2.9321 -2.9321 -2.8990 -2.8990 -1.7025 -1.7025 -1.6329 -1.6329 -1.0652 -1.0652 -1.0325 -1.0325 0.7768 0.7768 0.9198 0.9198 1.4797 1.4797 1.6415 1.6415 4.1475 4.1475 4.1929 4.1929 4.8003 4.8003 4.8500 4.8500 k = 0.1352 0.5037 0.2415 ( 5054 PWs) bands (ev): -13.1141 -13.1141 -13.1138 -13.1138 -11.3188 -11.3188 -11.3184 -11.3184 -5.3742 -5.3742 -5.3693 -5.3693 -2.9223 -2.9223 -2.8894 -2.8894 -1.7105 -1.7105 -1.6403 -1.6403 -1.0987 -1.0987 -1.0654 -1.0654 0.7824 0.7824 0.9265 0.9265 1.4660 1.4660 1.6289 1.6289 4.1685 4.1685 4.2150 4.2150 4.8027 4.8027 4.8526 4.8526 k = 0.1487 0.5037 0.2415 ( 5050 PWs) bands (ev): -13.1111 -13.1111 -13.1109 -13.1109 -11.3178 -11.3178 -11.3174 -11.3174 -5.3788 -5.3788 -5.3740 -5.3740 -2.9118 -2.9118 -2.8790 -2.8790 -1.7198 -1.7198 -1.6493 -1.6493 -1.1325 -1.1325 -1.0985 -1.0985 0.7868 0.7868 0.9319 0.9319 1.4511 1.4511 1.6148 1.6148 4.1914 4.1914 4.2390 4.2390 4.8061 4.8061 4.8563 4.8563 k = 0.1622 0.5037 0.2415 ( 5042 PWs) bands (ev): -13.1080 -13.1080 -13.1077 -13.1077 -11.3167 -11.3167 -11.3163 -11.3163 -5.3837 -5.3837 -5.3790 -5.3790 -2.9003 -2.9003 -2.8678 -2.8678 -1.7307 -1.7307 -1.6600 -1.6600 -1.1658 -1.1658 -1.1314 -1.1314 0.7899 0.7899 0.9357 0.9357 1.4351 1.4351 1.5993 1.5993 4.2160 4.2160 4.2648 4.2648 4.8104 4.8104 4.8611 4.8611 k = 0.1758 0.5037 0.2415 ( 5042 PWs) bands (ev): -13.1047 -13.1047 -13.1044 -13.1044 -11.3155 -11.3155 -11.3151 -11.3151 -5.3888 -5.3888 -5.3843 -5.3843 -2.8882 -2.8882 -2.8559 -2.8559 -1.7432 -1.7432 -1.6727 -1.6727 -1.1980 -1.1980 -1.1633 -1.1633 0.7917 0.7917 0.9379 0.9379 1.4181 1.4181 1.5823 1.5823 4.2421 4.2421 4.2921 4.2921 4.8157 4.8157 4.8669 4.8669 k = 0.1893 0.5037 0.2415 ( 5038 PWs) bands (ev): -13.1012 -13.1012 -13.1010 -13.1010 -11.3143 -11.3143 -11.3139 -11.3139 -5.3942 -5.3942 -5.3898 -5.3898 -2.8753 -2.8753 -2.8433 -2.8433 -1.7576 -1.7576 -1.6875 -1.6875 -1.2285 -1.2285 -1.1938 -1.1938 0.7920 0.7920 0.9382 0.9382 1.4002 1.4002 1.5639 1.5639 4.2696 4.2696 4.3209 4.3209 4.8219 4.8219 4.8738 4.8738 k = 0.2028 0.5037 0.2415 ( 5032 PWs) bands (ev): -13.0976 -13.0976 -13.0974 -13.0974 -11.3130 -11.3130 -11.3126 -11.3126 -5.3998 -5.3998 -5.3956 -5.3956 -2.8618 -2.8618 -2.8301 -2.8301 -1.7738 -1.7738 -1.7047 -1.7047 -1.2567 -1.2567 -1.2225 -1.2225 0.7910 0.7910 0.9366 0.9366 1.3815 1.3815 1.5441 1.5441 4.2982 4.2982 4.3509 4.3509 4.8291 4.8291 4.8817 4.8817 k = 0.2163 0.5037 0.2415 ( 5034 PWs) bands (ev): -13.0939 -13.0939 -13.0937 -13.0937 -11.3116 -11.3116 -11.3113 -11.3113 -5.4055 -5.4055 -5.4015 -5.4015 -2.8477 -2.8477 -2.8164 -2.8164 -1.7919 -1.7919 -1.7243 -1.7243 -1.2822 -1.2822 -1.2489 -1.2489 0.7886 0.7886 0.9331 0.9331 1.3621 1.3621 1.5229 1.5229 4.3279 4.3279 4.3819 4.3819 4.8370 4.8370 4.8904 4.8904 k = 0.2299 0.5037 0.2415 ( 5034 PWs) bands (ev): -13.0902 -13.0902 -13.0900 -13.0900 -11.3102 -11.3102 -11.3099 -11.3099 -5.4115 -5.4115 -5.4076 -5.4076 -2.8331 -2.8331 -2.8023 -2.8023 -1.8117 -1.8117 -1.7462 -1.7462 -1.3048 -1.3048 -1.2729 -1.2729 0.7849 0.7849 0.9277 0.9277 1.3421 1.3421 1.5005 1.5005 4.3585 4.3585 4.4137 4.4137 4.8456 4.8456 4.8998 4.8998 k = 0.2434 0.5037 0.2415 ( 5036 PWs) bands (ev): -13.0864 -13.0864 -13.0862 -13.0862 -11.3088 -11.3088 -11.3085 -11.3085 -5.4175 -5.4175 -5.4138 -5.4138 -2.8181 -2.8181 -2.7878 -2.7878 -1.8331 -1.8331 -1.7702 -1.7702 -1.3245 -1.3245 -1.2944 -1.2944 0.7800 0.7800 0.9204 0.9204 1.3219 1.3219 1.4770 1.4770 4.3898 4.3898 4.4461 4.4461 4.8547 4.8547 4.9097 4.9097 k = 0.2569 0.5037 0.2415 ( 5030 PWs) bands (ev): -13.0826 -13.0826 -13.0824 -13.0824 -11.3074 -11.3074 -11.3071 -11.3071 -5.4235 -5.4235 -5.4201 -5.4201 -2.8028 -2.8028 -2.7731 -2.7731 -1.8558 -1.8558 -1.7959 -1.7959 -1.3413 -1.3413 -1.3133 -1.3133 0.7742 0.7742 0.9113 0.9113 1.3015 1.3015 1.4524 1.4524 4.4215 4.4215 4.4788 4.4788 4.8642 4.8642 4.9199 4.9199 k = 0.2704 0.5037 0.2415 ( 5028 PWs) bands (ev): -13.0789 -13.0789 -13.0787 -13.0787 -11.3059 -11.3059 -11.3057 -11.3057 -5.4296 -5.4296 -5.4264 -5.4264 -2.7872 -2.7872 -2.7583 -2.7583 -1.8794 -1.8794 -1.8229 -1.8229 -1.3554 -1.3554 -1.3298 -1.3298 0.7673 0.7673 0.9003 0.9003 1.2813 1.2813 1.4272 1.4272 4.4536 4.4536 4.5117 4.5117 4.8737 4.8737 4.9302 4.9302 k = 0.2839 0.5037 0.2415 ( 5028 PWs) bands (ev): -13.0752 -13.0752 -13.0750 -13.0750 -11.3045 -11.3045 -11.3042 -11.3042 -5.4357 -5.4357 -5.4327 -5.4327 -2.7716 -2.7716 -2.7435 -2.7435 -1.9036 -1.9036 -1.8506 -1.8506 -1.3672 -1.3672 -1.3440 -1.3440 0.7597 0.7597 0.8876 0.8876 1.2615 1.2615 1.4013 1.4013 4.4858 4.4858 4.5445 4.5445 4.8832 4.8832 4.9402 4.9402 k = 0.2975 0.5037 0.2415 ( 5024 PWs) bands (ev): -13.0716 -13.0716 -13.0714 -13.0714 -11.3030 -11.3030 -11.3027 -11.3027 -5.4417 -5.4417 -5.4389 -5.4389 -2.7559 -2.7559 -2.7288 -2.7288 -1.9279 -1.9279 -1.8786 -1.8786 -1.3769 -1.3769 -1.3561 -1.3561 0.7515 0.7515 0.8732 0.8732 1.2426 1.2426 1.3752 1.3752 4.5179 4.5179 4.5770 4.5770 4.8925 4.8925 4.9498 4.9498 k = 0.3110 0.5037 0.2415 ( 5022 PWs) bands (ev): -13.0681 -13.0681 -13.0680 -13.0680 -11.3015 -11.3015 -11.3013 -11.3013 -5.4476 -5.4476 -5.4451 -5.4451 -2.7403 -2.7403 -2.7144 -2.7144 -1.9519 -1.9519 -1.9065 -1.9065 -1.3848 -1.3848 -1.3664 -1.3664 0.7427 0.7427 0.8572 0.8572 1.2247 1.2247 1.3490 1.3490 4.5497 4.5497 4.6088 4.6088 4.9015 4.9015 4.9587 4.9587 k = 0.3245 0.5037 0.2415 ( 5020 PWs) bands (ev): -13.0648 -13.0648 -13.0646 -13.0646 -11.3000 -11.3000 -11.2998 -11.2998 -5.4534 -5.4534 -5.4511 -5.4511 -2.7249 -2.7249 -2.7003 -2.7003 -1.9751 -1.9751 -1.9336 -1.9336 -1.3911 -1.3911 -1.3750 -1.3750 0.7334 0.7334 0.8395 0.8395 1.2082 1.2082 1.3231 1.3231 4.5811 4.5811 4.6398 4.6398 4.9099 4.9099 4.9667 4.9667 k = 0.3380 0.5037 0.2415 ( 5024 PWs) bands (ev): -13.0616 -13.0616 -13.0615 -13.0615 -11.2985 -11.2985 -11.2984 -11.2984 -5.4591 -5.4591 -5.4570 -5.4570 -2.7098 -2.7098 -2.6869 -2.6869 -1.9973 -1.9973 -1.9598 -1.9598 -1.3962 -1.3962 -1.3823 -1.3823 0.7237 0.7237 0.8204 0.8204 1.1934 1.1934 1.2977 1.2977 4.6119 4.6119 4.6696 4.6696 4.9178 4.9178 4.9737 4.9737 k = 0.3515 0.5037 0.2415 ( 5020 PWs) bands (ev): -13.0586 -13.0586 -13.0585 -13.0585 -11.2971 -11.2971 -11.2969 -11.2969 -5.4645 -5.4645 -5.4627 -5.4627 -2.6952 -2.6952 -2.6741 -2.6741 -2.0179 -2.0179 -1.9845 -1.9845 -1.4002 -1.4002 -1.3884 -1.3884 0.7137 0.7137 0.8000 0.8000 1.1805 1.1805 1.2733 1.2733 4.6419 4.6419 4.6979 4.6979 4.9251 4.9251 4.9795 4.9795 k = 0.3651 0.5037 0.2415 ( 5016 PWs) bands (ev): -13.0559 -13.0559 -13.0558 -13.0558 -11.2956 -11.2956 -11.2955 -11.2955 -5.4697 -5.4697 -5.4681 -5.4681 -2.6810 -2.6810 -2.6621 -2.6621 -2.0368 -2.0368 -2.0077 -2.0077 -1.4033 -1.4033 -1.3934 -1.3934 0.7035 0.7035 0.7783 0.7783 1.1696 1.1696 1.2501 1.2501 4.6710 4.6710 4.7243 4.7243 4.9320 4.9320 4.9839 4.9839 k = 0.3786 0.5037 0.2415 ( 5012 PWs) bands (ev): -13.0534 -13.0534 -13.0533 -13.0533 -11.2942 -11.2942 -11.2941 -11.2941 -5.4747 -5.4747 -5.4733 -5.4733 -2.6675 -2.6675 -2.6510 -2.6510 -2.0537 -2.0537 -2.0290 -2.0290 -1.4057 -1.4057 -1.3976 -1.3976 0.6929 0.6929 0.7558 0.7558 1.1611 1.1611 1.2284 1.2284 4.6989 4.6989 4.7482 4.7482 4.9388 4.9388 4.9870 4.9870 k = 0.3921 0.5037 0.2415 ( 5012 PWs) bands (ev): -13.0512 -13.0512 -13.0511 -13.0511 -11.2928 -11.2928 -11.2928 -11.2928 -5.4793 -5.4793 -5.4783 -5.4783 -2.6548 -2.6548 -2.6410 -2.6410 -2.0684 -2.0684 -2.0483 -2.0483 -1.4073 -1.4073 -1.4009 -1.4009 0.6822 0.6822 0.7325 0.7325 1.1548 1.1548 1.2086 1.2086 4.7254 4.7254 4.7692 4.7692 4.9458 4.9458 4.9887 4.9887 k = 0.4056 0.5037 0.2415 ( 5020 PWs) bands (ev): -13.0493 -13.0493 -13.0492 -13.0492 -11.2915 -11.2915 -11.2914 -11.2914 -5.4837 -5.4837 -5.4829 -5.4829 -2.6428 -2.6428 -2.6321 -2.6321 -2.0808 -2.0808 -2.0654 -2.0654 -1.4084 -1.4084 -1.4037 -1.4037 0.6713 0.6713 0.7087 0.7087 1.1509 1.1509 1.1909 1.1909 4.7502 4.7502 4.7865 4.7865 4.9536 4.9536 4.9891 4.9891 k = 0.4191 0.5037 0.2415 ( 5020 PWs) bands (ev): -13.0477 -13.0477 -13.0476 -13.0476 -11.2902 -11.2902 -11.2901 -11.2901 -5.4877 -5.4877 -5.4871 -5.4871 -2.6317 -2.6317 -2.6243 -2.6243 -2.0907 -2.0907 -2.0803 -2.0803 -1.4089 -1.4089 -1.4058 -1.4058 0.6603 0.6603 0.6849 0.6849 1.1493 1.1493 1.1757 1.1757 4.7731 4.7731 4.7995 4.7995 4.9626 4.9626 4.9884 4.9884 k = 0.4327 0.5037 0.2415 ( 5026 PWs) bands (ev): -13.0464 -13.0464 -13.0464 -13.0464 -11.2889 -11.2889 -11.2889 -11.2889 -5.4913 -5.4913 -5.4910 -5.4910 -2.6215 -2.6215 -2.6178 -2.6178 -2.0981 -2.0981 -2.0928 -2.0928 -1.4090 -1.4090 -1.4075 -1.4075 0.6492 0.6492 0.6613 0.6613 1.1500 1.1500 1.1629 1.1629 4.7937 4.7937 4.8078 4.8078 4.9731 4.9731 4.9869 4.9869 k = 0.4462 0.5037 0.2415 ( 5030 PWs) bands (ev): -13.0455 -13.0455 -13.0455 -13.0455 -11.2877 -11.2877 -11.2877 -11.2877 -5.4946 -5.4946 -5.4946 -5.4946 -2.6123 -2.6123 -2.6123 -2.6123 -2.1030 -2.1030 -2.1030 -2.1030 -1.4087 -1.4087 -1.4087 -1.4087 0.6381 0.6381 0.6381 0.6381 1.1530 1.1530 1.1530 1.1530 4.8114 4.8114 4.8114 4.8114 4.9851 4.9851 4.9851 4.9851 k = 0.4462 0.5037 0.2415 ( 5030 PWs) bands (ev): -13.0455 -13.0455 -13.0455 -13.0455 -11.2877 -11.2877 -11.2877 -11.2877 -5.4946 -5.4946 -5.4946 -5.4946 -2.6123 -2.6123 -2.6123 -2.6123 -2.1030 -2.1030 -2.1030 -2.1030 -1.4087 -1.4087 -1.4087 -1.4087 0.6381 0.6381 0.6381 0.6381 1.1530 1.1530 1.1530 1.1530 4.8114 4.8114 4.8114 4.8114 4.9851 4.9851 4.9851 4.9851 k = 0.4371 0.4934 0.2415 ( 5026 PWs) bands (ev): -13.0467 -13.0467 -13.0467 -13.0467 -11.2896 -11.2896 -11.2896 -11.2896 -5.4893 -5.4893 -5.4893 -5.4893 -2.6235 -2.6235 -2.6235 -2.6235 -2.0924 -2.0924 -2.0924 -2.0924 -1.4081 -1.4081 -1.4081 -1.4081 0.6657 0.6657 0.6657 0.6657 1.1568 1.1568 1.1568 1.1568 4.7968 4.7968 4.7968 4.7968 4.9762 4.9762 4.9762 4.9762 k = 0.4280 0.4831 0.2415 ( 5028 PWs) bands (ev): -13.0482 -13.0482 -13.0482 -13.0482 -11.2918 -11.2918 -11.2918 -11.2918 -5.4835 -5.4835 -5.4835 -5.4835 -2.6359 -2.6359 -2.6359 -2.6359 -2.0802 -2.0802 -2.0802 -2.0802 -1.4072 -1.4072 -1.4072 -1.4072 0.6962 0.6962 0.6962 0.6962 1.1613 1.1613 1.1613 1.1613 4.7797 4.7797 4.7797 4.7797 4.9660 4.9660 4.9660 4.9660 k = 0.4189 0.4728 0.2415 ( 5028 PWs) bands (ev): -13.0499 -13.0499 -13.0499 -13.0499 -11.2940 -11.2940 -11.2940 -11.2940 -5.4770 -5.4770 -5.4770 -5.4770 -2.6495 -2.6495 -2.6495 -2.6495 -2.0662 -2.0662 -2.0662 -2.0662 -1.4057 -1.4057 -1.4057 -1.4057 0.7293 0.7293 0.7293 0.7293 1.1666 1.1666 1.1666 1.1666 4.7599 4.7599 4.7599 4.7599 4.9548 4.9548 4.9548 4.9548 k = 0.4098 0.4626 0.2415 ( 5022 PWs) bands (ev): -13.0518 -13.0518 -13.0518 -13.0518 -11.2965 -11.2965 -11.2965 -11.2965 -5.4700 -5.4700 -5.4700 -5.4700 -2.6641 -2.6641 -2.6641 -2.6641 -2.0506 -2.0506 -2.0506 -2.0506 -1.4037 -1.4037 -1.4037 -1.4037 0.7642 0.7642 0.7642 0.7642 1.1727 1.1727 1.1727 1.1727 4.7376 4.7376 4.7376 4.7376 4.9427 4.9427 4.9427 4.9427 k = 0.4007 0.4523 0.2415 ( 5022 PWs) bands (ev): -13.0540 -13.0540 -13.0540 -13.0540 -11.2990 -11.2990 -11.2990 -11.2990 -5.4625 -5.4625 -5.4625 -5.4625 -2.6793 -2.6793 -2.6793 -2.6793 -2.0333 -2.0333 -2.0333 -2.0333 -1.4012 -1.4012 -1.4012 -1.4012 0.8006 0.8006 0.8006 0.8006 1.1797 1.1797 1.1797 1.1797 4.7127 4.7127 4.7127 4.7127 4.9296 4.9296 4.9296 4.9296 k = 0.3915 0.4420 0.2415 ( 5022 PWs) bands (ev): -13.0565 -13.0565 -13.0565 -13.0565 -11.3015 -11.3015 -11.3015 -11.3015 -5.4547 -5.4547 -5.4547 -5.4547 -2.6951 -2.6951 -2.6951 -2.6951 -2.0143 -2.0143 -2.0143 -2.0143 -1.3981 -1.3981 -1.3981 -1.3981 0.8376 0.8376 0.8376 0.8376 1.1879 1.1879 1.1879 1.1879 4.6855 4.6855 4.6855 4.6855 4.9159 4.9159 4.9159 4.9159 k = 0.3824 0.4317 0.2415 ( 5022 PWs) bands (ev): -13.0593 -13.0593 -13.0593 -13.0593 -11.3040 -11.3040 -11.3040 -11.3040 -5.4466 -5.4466 -5.4466 -5.4466 -2.7110 -2.7110 -2.7110 -2.7110 -1.9937 -1.9937 -1.9937 -1.9937 -1.3944 -1.3944 -1.3944 -1.3944 0.8746 0.8746 0.8746 0.8746 1.1973 1.1973 1.1973 1.1973 4.6561 4.6561 4.6561 4.6561 4.9014 4.9014 4.9014 4.9014 k = 0.3733 0.4214 0.2415 ( 5010 PWs) bands (ev): -13.0623 -13.0623 -13.0623 -13.0623 -11.3065 -11.3065 -11.3065 -11.3065 -5.4383 -5.4383 -5.4383 -5.4383 -2.7269 -2.7269 -2.7269 -2.7269 -1.9716 -1.9716 -1.9716 -1.9716 -1.3903 -1.3903 -1.3903 -1.3903 0.9108 0.9108 0.9108 0.9108 1.2084 1.2084 1.2084 1.2084 4.6248 4.6248 4.6248 4.6248 4.8864 4.8864 4.8864 4.8864 k = 0.3642 0.4112 0.2415 ( 5014 PWs) bands (ev): -13.0656 -13.0656 -13.0656 -13.0656 -11.3089 -11.3089 -11.3089 -11.3089 -5.4299 -5.4299 -5.4299 -5.4299 -2.7425 -2.7425 -2.7425 -2.7425 -1.9478 -1.9478 -1.9478 -1.9478 -1.3857 -1.3857 -1.3857 -1.3857 0.9454 0.9454 0.9454 0.9454 1.2214 1.2214 1.2214 1.2214 4.5920 4.5920 4.5920 4.5920 4.8708 4.8708 4.8708 4.8708 k = 0.3551 0.4009 0.2415 ( 5014 PWs) bands (ev): -13.0693 -13.0693 -13.0693 -13.0693 -11.3112 -11.3112 -11.3112 -11.3112 -5.4215 -5.4215 -5.4215 -5.4215 -2.7576 -2.7576 -2.7576 -2.7576 -1.9226 -1.9226 -1.9226 -1.9226 -1.3808 -1.3808 -1.3808 -1.3808 0.9777 0.9777 0.9777 0.9777 1.2367 1.2367 1.2367 1.2367 4.5581 4.5581 4.5581 4.5581 4.8548 4.8548 4.8548 4.8548 k = 0.3460 0.3906 0.2415 ( 5014 PWs) bands (ev): -13.0733 -13.0733 -13.0733 -13.0733 -11.3132 -11.3132 -11.3132 -11.3132 -5.4131 -5.4131 -5.4131 -5.4131 -2.7718 -2.7718 -2.7718 -2.7718 -1.8959 -1.8959 -1.8959 -1.8959 -1.3757 -1.3757 -1.3757 -1.3757 1.0068 1.0068 1.0068 1.0068 1.2544 1.2544 1.2544 1.2544 4.5235 4.5235 4.5235 4.5235 4.8384 4.8384 4.8384 4.8384 k = 0.3369 0.3803 0.2415 ( 5010 PWs) bands (ev): -13.0776 -13.0776 -13.0776 -13.0776 -11.3151 -11.3151 -11.3151 -11.3151 -5.4049 -5.4049 -5.4049 -5.4049 -2.7851 -2.7851 -2.7851 -2.7851 -1.8678 -1.8678 -1.8678 -1.8678 -1.3703 -1.3703 -1.3703 -1.3703 1.0323 1.0323 1.0323 1.0323 1.2747 1.2747 1.2747 1.2747 4.4886 4.4886 4.4886 4.4886 4.8217 4.8217 4.8217 4.8217 k = 0.3278 0.3700 0.2415 ( 5014 PWs) bands (ev): -13.0822 -13.0822 -13.0822 -13.0822 -11.3167 -11.3167 -11.3167 -11.3167 -5.3970 -5.3970 -5.3970 -5.3970 -2.7971 -2.7971 -2.7971 -2.7971 -1.8383 -1.8383 -1.8383 -1.8383 -1.3649 -1.3649 -1.3649 -1.3649 1.0539 1.0539 1.0539 1.0539 1.2972 1.2972 1.2972 1.2972 4.4539 4.4539 4.4539 4.4539 4.8046 4.8046 4.8046 4.8046 k = 0.3187 0.3598 0.2415 ( 5020 PWs) bands (ev): -13.0871 -13.0871 -13.0871 -13.0871 -11.3180 -11.3180 -11.3180 -11.3180 -5.3894 -5.3894 -5.3894 -5.3894 -2.8077 -2.8077 -2.8077 -2.8077 -1.8075 -1.8075 -1.8075 -1.8075 -1.3595 -1.3595 -1.3595 -1.3595 1.0719 1.0719 1.0719 1.0719 1.3214 1.3214 1.3214 1.3214 4.4200 4.4200 4.4200 4.4200 4.7873 4.7873 4.7873 4.7873 k = 0.3096 0.3495 0.2415 ( 5032 PWs) bands (ev): -13.0924 -13.0924 -13.0924 -13.0924 -11.3189 -11.3189 -11.3189 -11.3189 -5.3823 -5.3823 -5.3823 -5.3823 -2.8168 -2.8168 -2.8168 -2.8168 -1.7755 -1.7755 -1.7755 -1.7755 -1.3541 -1.3541 -1.3541 -1.3541 1.0866 1.0866 1.0866 1.0866 1.3464 1.3464 1.3464 1.3464 4.3872 4.3872 4.3872 4.3872 4.7698 4.7698 4.7698 4.7698 k = 0.3005 0.3392 0.2415 ( 5040 PWs) bands (ev): -13.0980 -13.0980 -13.0980 -13.0980 -11.3196 -11.3196 -11.3196 -11.3196 -5.3756 -5.3756 -5.3756 -5.3756 -2.8242 -2.8242 -2.8242 -2.8242 -1.7424 -1.7424 -1.7424 -1.7424 -1.3487 -1.3487 -1.3487 -1.3487 1.0984 1.0984 1.0984 1.0984 1.3713 1.3713 1.3713 1.3713 4.3561 4.3561 4.3561 4.3561 4.7521 4.7521 4.7521 4.7521 k = 0.2914 0.3289 0.2415 ( 5032 PWs) bands (ev): -13.1038 -13.1038 -13.1038 -13.1038 -11.3198 -11.3198 -11.3198 -11.3198 -5.3694 -5.3694 -5.3694 -5.3694 -2.8297 -2.8297 -2.8297 -2.8297 -1.7082 -1.7082 -1.7082 -1.7082 -1.3435 -1.3435 -1.3435 -1.3435 1.1079 1.1079 1.1079 1.1079 1.3952 1.3952 1.3952 1.3952 4.3271 4.3271 4.3271 4.3271 4.7342 4.7342 4.7342 4.7342 k = 0.2823 0.3187 0.2415 ( 5040 PWs) bands (ev): -13.1100 -13.1100 -13.1100 -13.1100 -11.3197 -11.3197 -11.3197 -11.3197 -5.3638 -5.3638 -5.3638 -5.3638 -2.8334 -2.8334 -2.8334 -2.8334 -1.6731 -1.6731 -1.6731 -1.6731 -1.3384 -1.3384 -1.3384 -1.3384 1.1154 1.1154 1.1154 1.1154 1.4173 1.4173 1.4173 1.4173 4.3007 4.3007 4.3007 4.3007 4.7162 4.7162 4.7162 4.7162 k = 0.2732 0.3084 0.2415 ( 5032 PWs) bands (ev): -13.1164 -13.1164 -13.1164 -13.1164 -11.3192 -11.3192 -11.3192 -11.3192 -5.3588 -5.3588 -5.3588 -5.3588 -2.8352 -2.8352 -2.8352 -2.8352 -1.6373 -1.6373 -1.6373 -1.6373 -1.3332 -1.3332 -1.3332 -1.3332 1.1211 1.1211 1.1211 1.1211 1.4368 1.4368 1.4368 1.4368 4.2773 4.2773 4.2773 4.2773 4.6981 4.6981 4.6981 4.6981 k = 0.2641 0.2981 0.2415 ( 5036 PWs) bands (ev): -13.1231 -13.1231 -13.1231 -13.1231 -11.3183 -11.3183 -11.3183 -11.3183 -5.3544 -5.3544 -5.3544 -5.3544 -2.8351 -2.8351 -2.8351 -2.8351 -1.6008 -1.6008 -1.6008 -1.6008 -1.3280 -1.3280 -1.3280 -1.3280 1.1254 1.1254 1.1254 1.1254 1.4533 1.4533 1.4533 1.4533 4.2572 4.2572 4.2572 4.2572 4.6800 4.6800 4.6800 4.6800 k = 0.2550 0.2878 0.2415 ( 5034 PWs) bands (ev): -13.1301 -13.1301 -13.1301 -13.1301 -11.3171 -11.3171 -11.3171 -11.3171 -5.3507 -5.3507 -5.3507 -5.3507 -2.8331 -2.8331 -2.8331 -2.8331 -1.5640 -1.5640 -1.5640 -1.5640 -1.3224 -1.3224 -1.3224 -1.3224 1.1283 1.1283 1.1283 1.1283 1.4661 1.4661 1.4661 1.4661 4.2407 4.2407 4.2407 4.2407 4.6618 4.6618 4.6618 4.6618 k = 0.2459 0.2775 0.2415 ( 5026 PWs) bands (ev): -13.1372 -13.1372 -13.1372 -13.1372 -11.3154 -11.3154 -11.3154 -11.3154 -5.3477 -5.3477 -5.3477 -5.3477 -2.8293 -2.8293 -2.8293 -2.8293 -1.5273 -1.5273 -1.5273 -1.5273 -1.3162 -1.3162 -1.3162 -1.3162 1.1299 1.1299 1.1299 1.1299 1.4751 1.4751 1.4751 1.4751 4.2282 4.2282 4.2282 4.2282 4.6436 4.6436 4.6436 4.6436 k = 0.2368 0.2673 0.2415 ( 5030 PWs) bands (ev): -13.1445 -13.1445 -13.1445 -13.1445 -11.3134 -11.3134 -11.3134 -11.3134 -5.3452 -5.3452 -5.3452 -5.3452 -2.8238 -2.8238 -2.8238 -2.8238 -1.4910 -1.4910 -1.4910 -1.4910 -1.3088 -1.3088 -1.3088 -1.3088 1.1304 1.1304 1.1304 1.1304 1.4798 1.4798 1.4798 1.4798 4.2196 4.2196 4.2196 4.2196 4.6254 4.6254 4.6254 4.6254 k = 0.2276 0.2570 0.2415 ( 5038 PWs) bands (ev): -13.1519 -13.1519 -13.1519 -13.1519 -11.3110 -11.3110 -11.3110 -11.3110 -5.3434 -5.3434 -5.3434 -5.3434 -2.8167 -2.8167 -2.8167 -2.8167 -1.4562 -1.4562 -1.4562 -1.4562 -1.2995 -1.2995 -1.2995 -1.2995 1.1296 1.1296 1.1296 1.1296 1.4801 1.4801 1.4801 1.4801 4.2152 4.2152 4.2152 4.2152 4.6073 4.6073 4.6073 4.6073 k = 0.2185 0.2467 0.2415 ( 5042 PWs) bands (ev): -13.1595 -13.1595 -13.1595 -13.1595 -11.3084 -11.3084 -11.3084 -11.3084 -5.3421 -5.3421 -5.3421 -5.3421 -2.8082 -2.8082 -2.8082 -2.8082 -1.4239 -1.4239 -1.4239 -1.4239 -1.2868 -1.2868 -1.2868 -1.2868 1.1276 1.1276 1.1276 1.1276 1.4760 1.4760 1.4760 1.4760 4.2150 4.2150 4.2150 4.2150 4.5893 4.5893 4.5893 4.5893 k = 0.2094 0.2364 0.2415 ( 5042 PWs) bands (ev): -13.1671 -13.1671 -13.1671 -13.1671 -11.3054 -11.3054 -11.3054 -11.3054 -5.3414 -5.3414 -5.3414 -5.3414 -2.7984 -2.7984 -2.7984 -2.7984 -1.3958 -1.3958 -1.3958 -1.3958 -1.2694 -1.2694 -1.2694 -1.2694 1.1244 1.1244 1.1244 1.1244 1.4676 1.4676 1.4676 1.4676 4.2188 4.2188 4.2188 4.2188 4.5715 4.5715 4.5715 4.5715 k = 0.2003 0.2261 0.2415 ( 5038 PWs) bands (ev): -13.1748 -13.1748 -13.1748 -13.1748 -11.3021 -11.3021 -11.3021 -11.3021 -5.3412 -5.3412 -5.3412 -5.3412 -2.7875 -2.7875 -2.7875 -2.7875 -1.3729 -1.3729 -1.3729 -1.3729 -1.2460 -1.2460 -1.2460 -1.2460 1.1199 1.1199 1.1199 1.1199 1.4550 1.4550 1.4550 1.4550 4.2265 4.2265 4.2265 4.2265 4.5540 4.5540 4.5540 4.5540 k = 0.1912 0.2159 0.2415 ( 5038 PWs) bands (ev): -13.1825 -13.1825 -13.1825 -13.1825 -11.2986 -11.2986 -11.2986 -11.2986 -5.3414 -5.3414 -5.3414 -5.3414 -2.7758 -2.7758 -2.7758 -2.7758 -1.3550 -1.3550 -1.3550 -1.3550 -1.2168 -1.2168 -1.2168 -1.2168 1.1139 1.1139 1.1139 1.1139 1.4384 1.4384 1.4384 1.4384 4.2376 4.2376 4.2376 4.2376 4.5368 4.5368 4.5368 4.5368 k = 0.1821 0.2056 0.2415 ( 5054 PWs) bands (ev): -13.1901 -13.1901 -13.1901 -13.1901 -11.2949 -11.2949 -11.2949 -11.2949 -5.3420 -5.3420 -5.3420 -5.3420 -2.7635 -2.7635 -2.7635 -2.7635 -1.3406 -1.3406 -1.3406 -1.3406 -1.1832 -1.1832 -1.1832 -1.1832 1.1064 1.1064 1.1064 1.1064 1.4184 1.4184 1.4184 1.4184 4.2518 4.2518 4.2518 4.2518 4.5203 4.5203 4.5203 4.5203 k = 0.1730 0.1953 0.2415 ( 5050 PWs) bands (ev): -13.1977 -13.1977 -13.1977 -13.1977 -11.2911 -11.2911 -11.2911 -11.2911 -5.3430 -5.3430 -5.3430 -5.3430 -2.7508 -2.7508 -2.7508 -2.7508 -1.3282 -1.3282 -1.3282 -1.3282 -1.1469 -1.1469 -1.1469 -1.1469 1.0971 1.0971 1.0971 1.0971 1.3954 1.3954 1.3954 1.3954 4.2683 4.2683 4.2683 4.2683 4.5046 4.5046 4.5046 4.5046 k = 0.1639 0.1850 0.2415 ( 5044 PWs) bands (ev): -13.2051 -13.2051 -13.2051 -13.2051 -11.2871 -11.2871 -11.2871 -11.2871 -5.3442 -5.3442 -5.3442 -5.3442 -2.7379 -2.7379 -2.7379 -2.7379 -1.3164 -1.3164 -1.3164 -1.3164 -1.1091 -1.1091 -1.1091 -1.1091 1.0858 1.0858 1.0858 1.0858 1.3702 1.3702 1.3702 1.3702 4.2863 4.2863 4.2863 4.2863 4.4904 4.4904 4.4904 4.4904 k = 0.1548 0.1747 0.2415 ( 5034 PWs) bands (ev): -13.2124 -13.2124 -13.2124 -13.2124 -11.2830 -11.2830 -11.2830 -11.2830 -5.3456 -5.3456 -5.3456 -5.3456 -2.7251 -2.7251 -2.7251 -2.7251 -1.3045 -1.3045 -1.3045 -1.3045 -1.0706 -1.0706 -1.0706 -1.0706 1.0723 1.0723 1.0723 1.0723 1.3434 1.3434 1.3434 1.3434 4.3046 4.3046 4.3046 4.3046 4.4783 4.4783 4.4783 4.4783 k = 0.1457 0.1645 0.2415 ( 5040 PWs) bands (ev): -13.2196 -13.2196 -13.2196 -13.2196 -11.2789 -11.2789 -11.2789 -11.2789 -5.3472 -5.3472 -5.3472 -5.3472 -2.7127 -2.7127 -2.7127 -2.7127 -1.2919 -1.2919 -1.2919 -1.2919 -1.0320 -1.0320 -1.0320 -1.0320 1.0560 1.0560 1.0560 1.0560 1.3159 1.3159 1.3159 1.3159 4.3213 4.3213 4.3213 4.3213 4.4697 4.4697 4.4697 4.4697 k = 0.1366 0.1542 0.2415 ( 5058 PWs) bands (ev): -13.2265 -13.2265 -13.2265 -13.2265 -11.2748 -11.2748 -11.2748 -11.2748 -5.3489 -5.3489 -5.3489 -5.3489 -2.7007 -2.7007 -2.7007 -2.7007 -1.2784 -1.2784 -1.2784 -1.2784 -0.9937 -0.9937 -0.9937 -0.9937 1.0368 1.0368 1.0368 1.0368 1.2887 1.2887 1.2887 1.2887 4.3339 4.3339 4.3339 4.3339 4.4667 4.4667 4.4667 4.4667 k = 0.1275 0.1439 0.2415 ( 5050 PWs) bands (ev): -13.2331 -13.2331 -13.2331 -13.2331 -11.2707 -11.2707 -11.2707 -11.2707 -5.3507 -5.3507 -5.3507 -5.3507 -2.6894 -2.6894 -2.6894 -2.6894 -1.2638 -1.2638 -1.2638 -1.2638 -0.9561 -0.9561 -0.9561 -0.9561 1.0142 1.0142 1.0142 1.0142 1.2627 1.2627 1.2627 1.2627 4.3402 4.3402 4.3402 4.3402 4.4711 4.4711 4.4711 4.4711 k = 0.1184 0.1336 0.2415 ( 5058 PWs) bands (ev): -13.2394 -13.2394 -13.2394 -13.2394 -11.2667 -11.2667 -11.2667 -11.2667 -5.3525 -5.3525 -5.3525 -5.3525 -2.6788 -2.6788 -2.6788 -2.6788 -1.2480 -1.2480 -1.2480 -1.2480 -0.9195 -0.9195 -0.9195 -0.9195 0.9883 0.9883 0.9883 0.9883 1.2385 1.2385 1.2385 1.2385 4.3397 4.3397 4.3397 4.3397 4.4830 4.4830 4.4830 4.4830 k = 0.1093 0.1233 0.2415 ( 5054 PWs) bands (ev): -13.2454 -13.2454 -13.2454 -13.2454 -11.2628 -11.2628 -11.2628 -11.2628 -5.3544 -5.3544 -5.3544 -5.3544 -2.6691 -2.6691 -2.6691 -2.6691 -1.2311 -1.2311 -1.2311 -1.2311 -0.8842 -0.8842 -0.8842 -0.8842 0.9593 0.9593 0.9593 0.9593 1.2165 1.2165 1.2165 1.2165 4.3341 4.3341 4.3341 4.3341 4.5003 4.5003 4.5003 4.5003 k = 0.1002 0.1131 0.2415 ( 5058 PWs) bands (ev): -13.2511 -13.2511 -13.2511 -13.2511 -11.2591 -11.2591 -11.2591 -11.2591 -5.3561 -5.3561 -5.3561 -5.3561 -2.6604 -2.6604 -2.6604 -2.6604 -1.2132 -1.2132 -1.2132 -1.2132 -0.8504 -0.8504 -0.8504 -0.8504 0.9277 0.9277 0.9277 0.9277 1.1969 1.1969 1.1969 1.1969 4.3255 4.3255 4.3255 4.3255 4.5203 4.5203 4.5203 4.5203 k = 0.0911 0.1028 0.2415 ( 5058 PWs) bands (ev): -13.2563 -13.2563 -13.2563 -13.2563 -11.2555 -11.2555 -11.2555 -11.2555 -5.3578 -5.3578 -5.3578 -5.3578 -2.6527 -2.6527 -2.6527 -2.6527 -1.1946 -1.1946 -1.1946 -1.1946 -0.8184 -0.8184 -0.8184 -0.8184 0.8943 0.8943 0.8943 0.8943 1.1797 1.1797 1.1797 1.1797 4.3157 4.3157 4.3157 4.3157 4.5412 4.5412 4.5412 4.5412 k = 0.0820 0.0925 0.2415 ( 5054 PWs) bands (ev): -13.2612 -13.2612 -13.2612 -13.2612 -11.2522 -11.2522 -11.2522 -11.2522 -5.3594 -5.3594 -5.3594 -5.3594 -2.6459 -2.6459 -2.6459 -2.6459 -1.1756 -1.1756 -1.1756 -1.1756 -0.7885 -0.7885 -0.7885 -0.7885 0.8602 0.8602 0.8602 0.8602 1.1646 1.1646 1.1646 1.1646 4.3054 4.3054 4.3054 4.3054 4.5619 4.5619 4.5619 4.5619 k = 0.0728 0.0822 0.2415 ( 5058 PWs) bands (ev): -13.2656 -13.2656 -13.2656 -13.2656 -11.2492 -11.2492 -11.2492 -11.2492 -5.3609 -5.3609 -5.3609 -5.3609 -2.6401 -2.6401 -2.6401 -2.6401 -1.1565 -1.1565 -1.1565 -1.1565 -0.7609 -0.7609 -0.7609 -0.7609 0.8263 0.8263 0.8263 0.8263 1.1514 1.1514 1.1514 1.1514 4.2954 4.2954 4.2954 4.2954 4.5814 4.5814 4.5814 4.5814 k = 0.0637 0.0720 0.2415 ( 5050 PWs) bands (ev): -13.2695 -13.2695 -13.2695 -13.2695 -11.2464 -11.2464 -11.2464 -11.2464 -5.3622 -5.3622 -5.3622 -5.3622 -2.6352 -2.6352 -2.6352 -2.6352 -1.1379 -1.1379 -1.1379 -1.1379 -0.7358 -0.7358 -0.7358 -0.7358 0.7935 0.7935 0.7935 0.7935 1.1400 1.1400 1.1400 1.1400 4.2859 4.2859 4.2859 4.2859 4.5994 4.5994 4.5994 4.5994 k = 0.0546 0.0617 0.2415 ( 5046 PWs) bands (ev): -13.2730 -13.2730 -13.2730 -13.2730 -11.2439 -11.2439 -11.2439 -11.2439 -5.3634 -5.3634 -5.3634 -5.3634 -2.6312 -2.6312 -2.6312 -2.6312 -1.1202 -1.1202 -1.1202 -1.1202 -0.7136 -0.7136 -0.7136 -0.7136 0.7628 0.7628 0.7628 0.7628 1.1302 1.1302 1.1302 1.1302 4.2773 4.2773 4.2773 4.2773 4.6154 4.6154 4.6154 4.6154 k = 0.0455 0.0514 0.2415 ( 5046 PWs) bands (ev): -13.2759 -13.2759 -13.2759 -13.2759 -11.2418 -11.2418 -11.2418 -11.2418 -5.3644 -5.3644 -5.3644 -5.3644 -2.6279 -2.6279 -2.6279 -2.6279 -1.1039 -1.1039 -1.1039 -1.1039 -0.6943 -0.6943 -0.6943 -0.6943 0.7351 0.7351 0.7351 0.7351 1.1219 1.1219 1.1219 1.1219 4.2697 4.2697 4.2697 4.2697 4.6292 4.6292 4.6292 4.6292 k = 0.0364 0.0411 0.2415 ( 5046 PWs) bands (ev): -13.2784 -13.2784 -13.2784 -13.2784 -11.2401 -11.2401 -11.2401 -11.2401 -5.3652 -5.3652 -5.3652 -5.3652 -2.6254 -2.6254 -2.6254 -2.6254 -1.0897 -1.0897 -1.0897 -1.0897 -0.6783 -0.6783 -0.6783 -0.6783 0.7113 0.7113 0.7113 0.7113 1.1151 1.1151 1.1151 1.1151 4.2634 4.2634 4.2634 4.2634 4.6407 4.6407 4.6407 4.6407 k = 0.0273 0.0308 0.2415 ( 5052 PWs) bands (ev): -13.2803 -13.2803 -13.2803 -13.2803 -11.2387 -11.2387 -11.2387 -11.2387 -5.3659 -5.3659 -5.3659 -5.3659 -2.6235 -2.6235 -2.6235 -2.6235 -1.0780 -1.0780 -1.0780 -1.0780 -0.6656 -0.6656 -0.6656 -0.6656 0.6919 0.6919 0.6919 0.6919 1.1098 1.1098 1.1098 1.1098 4.2583 4.2583 4.2583 4.2583 4.6497 4.6497 4.6497 4.6497 k = 0.0182 0.0206 0.2415 ( 5056 PWs) bands (ev): -13.2816 -13.2816 -13.2816 -13.2816 -11.2377 -11.2377 -11.2377 -11.2377 -5.3663 -5.3663 -5.3663 -5.3663 -2.6222 -2.6222 -2.6222 -2.6222 -1.0693 -1.0693 -1.0693 -1.0693 -0.6564 -0.6564 -0.6564 -0.6564 0.6776 0.6776 0.6776 0.6776 1.1060 1.1060 1.1060 1.1060 4.2546 4.2546 4.2546 4.2546 4.6561 4.6561 4.6561 4.6561 k = 0.0091 0.0103 0.2415 ( 5056 PWs) bands (ev): -13.2825 -13.2825 -13.2825 -13.2825 -11.2371 -11.2371 -11.2371 -11.2371 -5.3666 -5.3666 -5.3666 -5.3666 -2.6214 -2.6214 -2.6214 -2.6214 -1.0640 -1.0640 -1.0640 -1.0640 -0.6509 -0.6509 -0.6509 -0.6509 0.6688 0.6688 0.6688 0.6688 1.1037 1.1037 1.1037 1.1037 4.2524 4.2524 4.2524 4.2524 4.6600 4.6600 4.6600 4.6600 k = 0.0000 0.0000 0.2415 ( 5062 PWs) bands (ev): -13.2827 -13.2827 -13.2827 -13.2827 -11.2369 -11.2369 -11.2369 -11.2369 -5.3667 -5.3667 -5.3667 -5.3667 -2.6212 -2.6212 -2.6212 -2.6212 -1.0621 -1.0621 -1.0621 -1.0621 -0.6491 -0.6491 -0.6491 -0.6491 0.6659 0.6659 0.6659 0.6659 1.1030 1.1030 1.1030 1.1030 4.2517 4.2517 4.2517 4.2517 4.6613 4.6613 4.6613 4.6613 k = 0.0000 0.0000 0.2415 ( 5062 PWs) bands (ev): -13.2827 -13.2827 -13.2827 -13.2827 -11.2369 -11.2369 -11.2369 -11.2369 -5.3667 -5.3667 -5.3667 -5.3667 -2.6212 -2.6212 -2.6212 -2.6212 -1.0621 -1.0621 -1.0621 -1.0621 -0.6491 -0.6491 -0.6491 -0.6491 0.6659 0.6659 0.6659 0.6659 1.1030 1.1030 1.1030 1.1030 4.2517 4.2517 4.2517 4.2517 4.6613 4.6613 4.6613 4.6613 k = 0.0000 0.0000 0.2281 ( 5060 PWs) bands (ev): -13.2914 -13.2914 -13.2740 -13.2740 -11.2500 -11.2500 -11.2238 -11.2238 -5.3851 -5.3851 -5.3478 -5.3478 -2.6577 -2.6577 -2.5862 -2.5862 -1.0658 -1.0658 -1.0564 -1.0564 -0.6548 -0.6548 -0.6432 -0.6432 0.6509 0.6509 0.6799 0.6799 1.0794 1.0794 1.1272 1.1272 4.2146 4.2146 4.2878 4.2878 4.6174 4.6174 4.7065 4.7065 k = 0.0000 0.0000 0.2147 ( 5068 PWs) bands (ev): -13.2998 -13.2998 -13.2652 -13.2652 -11.2632 -11.2632 -11.2110 -11.2110 -5.4029 -5.4029 -5.3284 -5.3284 -2.6953 -2.6953 -2.5531 -2.5531 -1.0673 -1.0673 -1.0487 -1.0487 -0.6604 -0.6604 -0.6372 -0.6372 0.6352 0.6352 0.6927 0.6927 1.0567 1.0567 1.1519 1.1519 4.1772 4.1772 4.3224 4.3224 4.5759 4.5759 4.7524 4.7524 k = 0.0000 0.0000 0.2013 ( 5060 PWs) bands (ev): -13.3081 -13.3081 -13.2565 -13.2565 -11.2762 -11.2762 -11.1984 -11.1984 -5.4199 -5.4199 -5.3087 -5.3087 -2.7337 -2.7337 -2.5222 -2.5222 -1.0668 -1.0668 -1.0390 -1.0390 -0.6658 -0.6658 -0.6312 -0.6312 0.6191 0.6191 0.7040 0.7040 1.0350 1.0350 1.1767 1.1767 4.1399 4.1399 4.3537 4.3537 4.5384 4.5384 4.7985 4.7985 k = 0.0000 0.0000 0.1879 ( 5070 PWs) bands (ev): -13.3160 -13.3160 -13.2479 -13.2479 -11.2891 -11.2891 -11.1862 -11.1862 -5.4361 -5.4361 -5.2889 -5.2889 -2.7724 -2.7724 -2.4936 -2.4936 -1.0644 -1.0644 -1.0275 -1.0275 -0.6709 -0.6709 -0.6251 -0.6251 0.6029 0.6029 0.7137 0.7137 1.0147 1.0147 1.2016 1.2016 4.1030 4.1030 4.3780 4.3780 4.5088 4.5088 4.8441 4.8441 k = 0.0000 0.0000 0.1744 ( 5062 PWs) bands (ev): -13.3237 -13.3237 -13.2394 -13.2394 -11.3016 -11.3016 -11.1745 -11.1745 -5.4514 -5.4514 -5.2691 -5.2691 -2.8110 -2.8110 -2.4675 -2.4675 -1.0603 -1.0603 -1.0143 -1.0143 -0.6757 -0.6757 -0.6191 -0.6191 0.5866 0.5866 0.7214 0.7214 0.9958 0.9958 1.2262 1.2262 4.0668 4.0668 4.3867 4.3867 4.4959 4.4959 4.8888 4.8888 k = 0.0000 0.0000 0.1610 ( 5062 PWs) bands (ev): -13.3309 -13.3309 -13.2312 -13.2312 -11.3137 -11.3137 -11.1633 -11.1633 -5.4658 -5.4658 -5.2494 -5.2494 -2.8491 -2.8491 -2.4441 -2.4441 -1.0547 -1.0547 -0.9997 -0.9997 -0.6803 -0.6803 -0.6132 -0.6132 0.5706 0.5706 0.7272 0.7272 0.9786 0.9786 1.2503 1.2503 4.0317 4.0317 4.3747 4.3747 4.5048 4.5048 4.9322 4.9322 k = 0.0000 0.0000 0.1476 ( 5065 PWs) bands (ev): -13.3377 -13.3377 -13.2232 -13.2232 -11.3254 -11.3254 -11.1527 -11.1527 -5.4791 -5.4791 -5.2301 -5.2301 -2.8862 -2.8862 -2.4233 -2.4233 -1.0480 -1.0480 -0.9839 -0.9839 -0.6846 -0.6846 -0.6075 -0.6075 0.5551 0.5551 0.7308 0.7308 0.9631 0.9631 1.2737 1.2737 3.9979 3.9979 4.3518 4.3518 4.5259 4.5259 4.9738 4.9738 k = 0.0000 0.0000 0.1342 ( 5069 PWs) bands (ev): -13.3441 -13.3441 -13.2157 -13.2157 -11.3364 -11.3364 -11.1428 -11.1428 -5.4915 -5.4915 -5.2114 -5.2114 -2.9219 -2.9219 -2.4051 -2.4051 -1.0406 -1.0406 -0.9672 -0.9672 -0.6885 -0.6885 -0.6019 -0.6019 0.5403 0.5403 0.7325 0.7325 0.9495 0.9495 1.2961 1.2961 3.9658 3.9658 4.3265 4.3265 4.5504 4.5504 5.0134 5.0134 k = 0.0000 0.0000 0.1208 ( 5061 PWs) bands (ev): -13.3500 -13.3500 -13.2086 -13.2086 -11.3467 -11.3467 -11.1336 -11.1336 -5.5027 -5.5027 -5.1935 -5.1935 -2.9558 -2.9558 -2.3894 -2.3894 -1.0327 -1.0327 -0.9500 -0.9500 -0.6920 -0.6920 -0.5966 -0.5966 0.5263 0.5263 0.7323 0.7323 0.9376 0.9376 1.3174 1.3174 3.9356 3.9356 4.3022 4.3022 4.5751 4.5751 5.0504 5.0504 k = 0.0000 0.0000 0.1074 ( 5057 PWs) bands (ev): -13.3553 -13.3553 -13.2021 -13.2021 -11.3562 -11.3562 -11.1253 -11.1253 -5.5128 -5.5128 -5.1766 -5.1766 -2.9875 -2.9875 -2.3760 -2.3760 -1.0246 -1.0246 -0.9327 -0.9327 -0.6951 -0.6951 -0.5916 -0.5916 0.5134 0.5134 0.7306 0.7306 0.9274 0.9274 1.3373 1.3373 3.9076 3.9076 4.2800 4.2800 4.5985 4.5985 5.0845 5.0845 k = 0.0000 0.0000 0.0939 ( 5051 PWs) bands (ev): -13.3601 -13.3601 -13.1961 -13.1961 -11.3648 -11.3648 -11.1178 -11.1178 -5.5218 -5.5218 -5.1610 -5.1610 -3.0166 -3.0166 -2.3648 -2.3648 -1.0168 -1.0168 -0.9158 -0.9158 -0.6979 -0.6979 -0.5869 -0.5869 0.5016 0.5016 0.7278 0.7278 0.9187 0.9187 1.3555 1.3555 3.8822 3.8822 4.2605 4.2605 4.6200 4.6200 5.1154 5.1154 k = 0.0000 0.0000 0.0805 ( 5055 PWs) bands (ev): -13.3643 -13.3643 -13.1908 -13.1908 -11.3725 -11.3725 -11.1112 -11.1112 -5.5297 -5.5297 -5.1469 -5.1469 -3.0427 -3.0427 -2.3557 -2.3557 -1.0095 -1.0095 -0.8999 -0.8999 -0.7002 -0.7002 -0.5827 -0.5827 0.4910 0.4910 0.7242 0.7242 0.9114 0.9114 1.3718 1.3718 3.8595 3.8595 4.2437 4.2437 4.6392 4.6392 5.1428 5.1428 k = 0.0000 0.0000 0.0671 ( 5057 PWs) bands (ev): -13.3679 -13.3679 -13.1862 -13.1862 -11.3791 -11.3791 -11.1055 -11.1055 -5.5363 -5.5363 -5.1344 -5.1344 -3.0654 -3.0654 -2.3483 -2.3483 -1.0029 -1.0029 -0.8853 -0.8853 -0.7021 -0.7021 -0.5791 -0.5791 0.4820 0.4820 0.7204 0.7204 0.9053 0.9053 1.3860 1.3860 3.8398 3.8398 4.2297 4.2297 4.6559 4.6559 5.1665 5.1665 k = 0.0000 0.0000 0.0537 ( 5053 PWs) bands (ev): -13.3709 -13.3709 -13.1824 -13.1824 -11.3846 -11.3846 -11.1009 -11.1009 -5.5418 -5.5418 -5.1239 -5.1239 -3.0845 -3.0845 -2.3425 -2.3425 -0.9972 -0.9972 -0.8727 -0.8727 -0.7036 -0.7036 -0.5759 -0.5759 0.4744 0.4744 0.7167 0.7167 0.9003 0.9003 1.3979 1.3979 3.8234 3.8234 4.2186 4.2186 4.6698 4.6698 5.1863 5.1863 k = 0.0000 0.0000 0.0403 ( 5059 PWs) bands (ev): -13.3732 -13.3732 -13.1794 -13.1794 -11.3889 -11.3889 -11.0972 -11.0972 -5.5460 -5.5460 -5.1155 -5.1155 -3.0996 -3.0996 -2.3382 -2.3382 -0.9926 -0.9926 -0.8624 -0.8624 -0.7048 -0.7048 -0.5735 -0.5735 0.4684 0.4684 0.7135 0.7135 0.8965 0.8965 1.4074 1.4074 3.8104 3.8104 4.2101 4.2101 4.6808 4.6808 5.2018 5.2018 k = 0.0000 0.0000 0.0268 ( 5051 PWs) bands (ev): -13.3749 -13.3749 -13.1772 -13.1772 -11.3920 -11.3920 -11.0945 -11.0945 -5.5491 -5.5491 -5.1094 -5.1094 -3.1106 -3.1106 -2.3352 -2.3352 -0.9892 -0.9892 -0.8548 -0.8548 -0.7055 -0.7055 -0.5716 -0.5716 0.4641 0.4641 0.7110 0.7110 0.8937 0.8937 1.4143 1.4143 3.8010 3.8010 4.2041 4.2041 4.6887 4.6887 5.2130 5.2130 k = 0.0000 0.0000 0.0134 ( 5047 PWs) bands (ev): -13.3758 -13.3758 -13.1759 -13.1759 -11.3939 -11.3939 -11.0930 -11.0930 -5.5509 -5.5509 -5.1057 -5.1057 -3.1172 -3.1172 -2.3335 -2.3335 -0.9872 -0.9872 -0.8501 -0.8501 -0.7060 -0.7060 -0.5705 -0.5705 0.4615 0.4615 0.7094 0.7094 0.8920 0.8920 1.4184 1.4184 3.7953 3.7953 4.2006 4.2006 4.6934 4.6934 5.2198 5.2198 k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -13.3762 -13.3762 -13.1754 -13.1754 -11.3946 -11.3946 -11.0924 -11.0924 -5.5515 -5.5515 -5.1044 -5.1044 -3.1194 -3.1194 -2.3329 -2.3329 -0.9865 -0.9865 -0.8485 -0.8485 -0.7061 -0.7061 -0.5701 -0.5701 0.4606 0.4606 0.7089 0.7089 0.8915 0.8915 1.4198 1.4198 3.7934 3.7934 4.1994 4.1994 4.6950 4.6950 5.2221 5.2221 k = 0.0000 0.0000 0.0000 ( 5049 PWs) bands (ev): -13.3762 -13.3762 -13.1754 -13.1754 -11.3946 -11.3946 -11.0924 -11.0924 -5.5515 -5.5515 -5.1044 -5.1044 -3.1194 -3.1194 -2.3329 -2.3329 -0.9865 -0.9865 -0.8485 -0.8485 -0.7061 -0.7061 -0.5701 -0.5701 0.4606 0.4606 0.7089 0.7089 0.8915 0.8915 1.4198 1.4198 3.7934 3.7934 4.1994 4.1994 4.6950 4.6950 5.2221 5.2221 k =-0.0102 0.0090 0.0000 ( 5051 PWs) bands (ev): -13.3759 -13.3759 -13.1752 -13.1752 -11.3945 -11.3945 -11.0926 -11.0926 -5.5515 -5.5515 -5.1049 -5.1049 -3.1192 -3.1192 -2.3334 -2.3334 -0.9872 -0.9872 -0.8492 -0.8492 -0.7087 -0.7087 -0.5722 -0.5722 0.4623 0.4623 0.7097 0.7097 0.8923 0.8923 1.4199 1.4199 3.7949 3.7949 4.1996 4.1996 4.6922 4.6922 5.2224 5.2224 k =-0.0204 0.0181 0.0000 ( 5063 PWs) bands (ev): -13.3751 -13.3751 -13.1747 -13.1747 -11.3943 -11.3943 -11.0931 -11.0931 -5.5514 -5.5514 -5.1065 -5.1065 -3.1184 -3.1184 -2.3347 -2.3347 -0.9894 -0.9894 -0.8510 -0.8510 -0.7163 -0.7163 -0.5783 -0.5783 0.4672 0.4672 0.7122 0.7122 0.8947 0.8947 1.4202 1.4202 3.7993 3.7993 4.2002 4.2002 4.6839 4.6839 5.2235 5.2235 k =-0.0306 0.0271 0.0000 ( 5063 PWs) bands (ev): -13.3737 -13.3737 -13.1737 -13.1737 -11.3939 -11.3939 -11.0939 -11.0939 -5.5511 -5.5511 -5.1090 -5.1090 -3.1172 -3.1172 -2.3370 -2.3370 -0.9931 -0.9931 -0.8541 -0.8541 -0.7287 -0.7287 -0.5885 -0.5885 0.4752 0.4752 0.7163 0.7163 0.8987 0.8987 1.4207 1.4207 3.8067 3.8067 4.2011 4.2011 4.6707 4.6707 5.2253 5.2253 k =-0.0408 0.0362 0.0000 ( 5067 PWs) bands (ev): -13.3718 -13.3718 -13.1725 -13.1725 -11.3933 -11.3933 -11.0950 -11.0950 -5.5508 -5.5508 -5.1125 -5.1125 -3.1154 -3.1154 -2.3402 -2.3402 -0.9981 -0.9981 -0.8586 -0.8586 -0.7454 -0.7454 -0.6025 -0.6025 0.4858 0.4858 0.7219 0.7219 0.9044 0.9044 1.4212 1.4212 3.8171 3.8171 4.2025 4.2025 4.6532 4.6532 5.2279 5.2279 k =-0.0510 0.0452 0.0000 ( 5059 PWs) bands (ev): -13.3693 -13.3693 -13.1708 -13.1708 -11.3926 -11.3926 -11.0964 -11.0964 -5.5504 -5.5504 -5.1169 -5.1169 -3.1131 -3.1131 -2.3442 -2.3442 -1.0046 -1.0046 -0.8645 -0.8645 -0.7658 -0.7658 -0.6202 -0.6202 0.4986 0.4986 0.7288 0.7288 0.9115 0.9115 1.4217 1.4217 3.8303 3.8303 4.2042 4.2042 4.6322 4.6322 5.2313 5.2313 k =-0.0612 0.0542 0.0000 ( 5067 PWs) bands (ev): -13.3663 -13.3663 -13.1688 -13.1688 -11.3918 -11.3918 -11.0981 -11.0981 -5.5499 -5.5499 -5.1223 -5.1223 -3.1103 -3.1103 -2.3491 -2.3491 -1.0124 -1.0124 -0.8723 -0.8723 -0.7891 -0.7891 -0.6414 -0.6414 0.5132 0.5132 0.7369 0.7369 0.9201 0.9201 1.4220 1.4220 3.8463 3.8463 4.2062 4.2062 4.6088 4.6088 5.2354 5.2354 k =-0.0714 0.0633 0.0000 ( 5055 PWs) bands (ev): -13.3627 -13.3627 -13.1665 -13.1665 -11.3908 -11.3908 -11.1002 -11.1002 -5.5493 -5.5493 -5.1287 -5.1287 -3.1070 -3.1070 -2.3549 -2.3549 -1.0215 -1.0215 -0.8827 -0.8827 -0.8139 -0.8139 -0.6660 -0.6660 0.5289 0.5289 0.7459 0.7459 0.9303 0.9303 1.4221 1.4221 3.8651 3.8651 4.2087 4.2087 4.5838 4.5838 5.2405 5.2405 k =-0.0816 0.0723 0.0000 ( 5047 PWs) bands (ev): -13.3587 -13.3587 -13.1638 -13.1638 -11.3897 -11.3897 -11.1025 -11.1025 -5.5486 -5.5486 -5.1359 -5.1359 -3.1031 -3.1031 -2.3614 -2.3614 -1.0318 -1.0318 -0.8971 -0.8971 -0.8381 -0.8381 -0.6935 -0.6935 0.5452 0.5452 0.7556 0.7556 0.9418 0.9418 1.4216 1.4216 3.8866 3.8866 4.2115 4.2115 4.5581 4.5581 5.2463 5.2463 k =-0.0918 0.0814 0.0000 ( 5043 PWs) bands (ev): -13.3542 -13.3542 -13.1608 -13.1608 -11.3884 -11.3884 -11.1050 -11.1050 -5.5478 -5.5478 -5.1439 -5.1439 -3.0986 -3.0986 -2.3687 -2.3687 -1.0434 -1.0434 -0.9179 -0.9179 -0.8593 -0.8593 -0.7236 -0.7236 0.5617 0.5617 0.7658 0.7658 0.9549 0.9549 1.4205 1.4205 3.9107 3.9107 4.2147 4.2147 4.5323 4.5323 5.2529 5.2529 k =-0.1020 0.0904 0.0000 ( 5051 PWs) bands (ev): -13.3491 -13.3491 -13.1575 -13.1575 -11.3870 -11.3870 -11.1079 -11.1079 -5.5469 -5.5469 -5.1527 -5.1527 -3.0936 -3.0936 -2.3767 -2.3767 -1.0562 -1.0562 -0.9453 -0.9453 -0.8764 -0.8764 -0.7560 -0.7560 0.5777 0.5777 0.7761 0.7761 0.9693 0.9693 1.4186 1.4186 3.9372 3.9372 4.2182 4.2182 4.5072 4.5072 5.2602 5.2602 k =-0.1122 0.0994 0.0000 ( 5041 PWs) bands (ev): -13.3437 -13.3437 -13.1538 -13.1538 -11.3855 -11.3855 -11.1110 -11.1110 -5.5458 -5.5458 -5.1623 -5.1623 -3.0880 -3.0880 -2.3854 -2.3854 -1.0702 -1.0702 -0.9777 -0.9777 -0.8913 -0.8913 -0.7900 -0.7900 0.5930 0.5930 0.7865 0.7865 0.9852 0.9852 1.4156 1.4156 3.9661 3.9661 4.2221 4.2221 4.4832 4.4832 5.2683 5.2683 k =-0.1224 0.1085 0.0000 ( 5041 PWs) bands (ev): -13.3377 -13.3377 -13.1499 -13.1499 -11.3838 -11.3838 -11.1144 -11.1144 -5.5446 -5.5446 -5.1726 -5.1726 -3.0818 -3.0818 -2.3947 -2.3947 -1.0855 -1.0855 -1.0129 -1.0129 -0.9061 -0.9061 -0.8245 -0.8245 0.6071 0.6071 0.7968 0.7968 1.0026 1.0026 1.4113 1.4113 3.9971 3.9971 4.2263 4.2263 4.4609 4.4609 5.2770 5.2770 k =-0.1327 0.1175 0.0000 ( 5037 PWs) bands (ev): -13.3314 -13.3314 -13.1458 -13.1458 -11.3821 -11.3821 -11.1179 -11.1179 -5.5433 -5.5433 -5.1836 -5.1836 -3.0749 -3.0749 -2.4046 -2.4046 -1.1022 -1.1022 -1.0498 -1.0498 -0.9232 -0.9232 -0.8575 -0.8575 0.6197 0.6197 0.8067 0.8067 1.0214 1.0214 1.4057 1.4057 4.0302 4.0302 4.2310 4.2310 4.4403 4.4403 5.2863 5.2863 k =-0.1429 0.1266 0.0000 ( 5027 PWs) bands (ev): -13.3247 -13.3247 -13.1413 -13.1413 -11.3803 -11.3803 -11.1217 -11.1217 -5.5419 -5.5419 -5.1951 -5.1951 -3.0675 -3.0675 -2.4150 -2.4150 -1.1206 -1.1206 -1.0875 -1.0875 -0.9457 -0.9457 -0.8858 -0.8858 0.6304 0.6304 0.8162 0.8162 1.0416 1.0416 1.3984 1.3984 4.0650 4.0650 4.2363 4.2363 4.4219 4.4219 5.2963 5.2963 k =-0.1531 0.1356 0.0000 ( 5023 PWs) bands (ev): -13.3176 -13.3176 -13.1366 -13.1366 -11.3783 -11.3783 -11.1257 -11.1257 -5.5403 -5.5403 -5.2072 -5.2072 -3.0594 -3.0594 -2.4259 -2.4259 -1.1413 -1.1413 -1.1256 -1.1256 -0.9752 -0.9752 -0.9071 -0.9071 0.6389 0.6389 0.8253 0.8253 1.0632 1.0632 1.3893 1.3893 4.1009 4.1009 4.2424 4.2424 4.4056 4.4056 5.3067 5.3067 k =-0.1633 0.1446 0.0000 ( 5029 PWs) bands (ev): -13.3101 -13.3101 -13.1317 -13.1317 -11.3763 -11.3763 -11.1299 -11.1299 -5.5386 -5.5386 -5.2197 -5.2197 -3.0507 -3.0507 -2.4373 -2.4373 -1.1665 -1.1665 -1.1622 -1.1622 -1.0091 -1.0091 -0.9232 -0.9232 0.6451 0.6451 0.8340 0.8340 1.0861 1.0861 1.3784 1.3784 4.1368 4.1368 4.2502 4.2502 4.3916 4.3916 5.3175 5.3175 k =-0.1735 0.1537 0.0000 ( 5033 PWs) bands (ev): -13.3024 -13.3024 -13.1266 -13.1266 -11.3743 -11.3743 -11.1342 -11.1342 -5.5367 -5.5367 -5.2327 -5.2327 -3.0414 -3.0414 -2.4490 -2.4490 -1.2029 -1.2029 -1.1911 -1.1911 -1.0436 -1.0436 -0.9366 -0.9366 0.6488 0.6488 0.8422 0.8422 1.1103 1.1103 1.3654 1.3654 4.1708 4.1708 4.2615 4.2615 4.3798 4.3798 5.3287 5.3287 k =-0.1837 0.1627 0.0000 ( 5037 PWs) bands (ev): -13.2943 -13.2943 -13.1213 -13.1213 -11.3721 -11.3721 -11.1386 -11.1386 -5.5347 -5.5347 -5.2460 -5.2460 -3.0314 -3.0314 -2.4610 -2.4610 -1.2405 -1.2405 -1.2231 -1.2231 -1.0761 -1.0761 -0.9487 -0.9487 0.6499 0.6499 0.8500 0.8500 1.1356 1.1356 1.3503 1.3503 4.1986 4.1986 4.2800 4.2800 4.3706 4.3706 5.3402 5.3402 k =-0.1939 0.1717 0.0000 ( 5031 PWs) bands (ev): -13.2860 -13.2860 -13.1159 -13.1159 -11.3699 -11.3699 -11.1432 -11.1432 -5.5325 -5.5325 -5.2596 -5.2596 -3.0207 -3.0207 -2.4733 -2.4733 -1.2777 -1.2777 -1.2602 -1.2602 -1.1053 -1.1053 -0.9601 -0.9601 0.6483 0.6483 0.8574 0.8574 1.1620 1.1620 1.3331 1.3331 4.2170 4.2170 4.3076 4.3076 4.3648 4.3648 5.3520 5.3520 k =-0.2041 0.1808 0.0000 ( 5027 PWs) bands (ev): -13.2775 -13.2775 -13.1103 -13.1103 -11.3677 -11.3677 -11.1479 -11.1479 -5.5301 -5.5301 -5.2735 -5.2735 -3.0095 -3.0095 -2.4857 -2.4857 -1.3142 -1.3142 -1.3019 -1.3019 -1.1309 -1.1309 -0.9709 -0.9709 0.6440 0.6440 0.8646 0.8646 1.1893 1.1893 1.3139 1.3139 4.2276 4.2276 4.3346 4.3346 4.3701 4.3701 5.3640 5.3640 k =-0.2143 0.1898 0.0000 ( 5043 PWs) bands (ev): -13.2688 -13.2688 -13.1046 -13.1046 -11.3654 -11.3654 -11.1527 -11.1527 -5.5276 -5.5276 -5.2875 -5.2875 -2.9976 -2.9976 -2.4983 -2.4983 -1.3505 -1.3505 -1.3469 -1.3469 -1.1534 -1.1534 -0.9815 -0.9815 0.6370 0.6370 0.8714 0.8714 1.2169 1.2169 1.2931 1.2931 4.2339 4.2339 4.3409 4.3409 4.4028 4.4028 5.3761 5.3761 k =-0.2245 0.1989 0.0000 ( 5033 PWs) bands (ev): -13.2599 -13.2599 -13.0988 -13.0988 -11.3631 -11.3631 -11.1575 -11.1575 -5.5249 -5.5249 -5.3016 -5.3016 -2.9851 -2.9851 -2.5110 -2.5110 -1.3965 -1.3965 -1.3841 -1.3841 -1.1736 -1.1736 -0.9918 -0.9918 0.6274 0.6274 0.8780 0.8780 1.2414 1.2414 1.2742 1.2742 4.2378 4.2378 4.3391 4.3391 4.4476 4.4476 5.3884 5.3884 k =-0.2347 0.2079 0.0000 ( 5025 PWs) bands (ev): -13.2509 -13.2509 -13.0930 -13.0930 -11.3608 -11.3608 -11.1624 -11.1624 -5.5220 -5.5220 -5.3158 -5.3158 -2.9720 -2.9720 -2.5237 -2.5237 -1.4470 -1.4470 -1.4178 -1.4178 -1.1919 -1.1919 -1.0019 -1.0019 0.6154 0.6154 0.8844 0.8844 1.2360 1.2360 1.2841 1.2841 4.2402 4.2402 4.3366 4.3366 4.4962 4.4962 5.4006 5.4006 k =-0.2449 0.2169 0.0000 ( 5037 PWs) bands (ev): -13.2418 -13.2418 -13.0871 -13.0871 -11.3585 -11.3585 -11.1673 -11.1673 -5.5190 -5.5190 -5.3300 -5.3300 -2.9584 -2.9584 -2.5363 -2.5363 -1.4988 -1.4988 -1.4502 -1.4502 -1.2088 -1.2088 -1.0117 -1.0117 0.6010 0.6010 0.8904 0.8904 1.2108 1.2108 1.3128 1.3128 4.2413 4.2413 4.3341 4.3341 4.5467 4.5467 5.4127 5.4127 k =-0.2551 0.2260 0.0000 ( 5027 PWs) bands (ev): -13.2326 -13.2326 -13.0811 -13.0811 -11.3562 -11.3562 -11.1723 -11.1723 -5.5158 -5.5158 -5.3441 -5.3441 -2.9442 -2.9442 -2.5488 -2.5488 -1.5513 -1.5513 -1.4814 -1.4814 -1.2246 -1.2246 -1.0212 -1.0212 0.5844 0.5844 0.8959 0.8959 1.1823 1.1823 1.3439 1.3439 4.2413 4.2413 4.3318 4.3318 4.5985 4.5985 5.4249 5.4249 k =-0.2653 0.2350 0.0000 ( 5036 PWs) bands (ev): -13.2235 -13.2235 -13.0752 -13.0752 -11.3539 -11.3539 -11.1772 -11.1772 -5.5125 -5.5125 -5.3581 -5.3581 -2.9297 -2.9297 -2.5612 -2.5612 -1.6042 -1.6042 -1.5113 -1.5113 -1.2393 -1.2393 -1.0305 -1.0305 0.5659 0.5659 0.9007 0.9007 1.1525 1.1525 1.3760 1.3760 4.2402 4.2402 4.3297 4.3297 4.6512 4.6512 5.4368 5.4368 k =-0.2755 0.2441 0.0000 ( 5036 PWs) bands (ev): -13.2144 -13.2144 -13.0693 -13.0693 -11.3516 -11.3516 -11.1820 -11.1820 -5.5090 -5.5090 -5.3719 -5.3719 -2.9147 -2.9147 -2.5733 -2.5733 -1.6570 -1.6570 -1.5399 -1.5399 -1.2531 -1.2531 -1.0396 -1.0396 0.5457 0.5457 0.9041 0.9041 1.1223 1.1223 1.4088 1.4088 4.2378 4.2378 4.3275 4.3275 4.7045 4.7045 5.4487 5.4487 k =-0.2857 0.2531 0.0000 ( 5032 PWs) bands (ev): -13.2053 -13.2053 -13.0635 -13.0635 -11.3494 -11.3494 -11.1868 -11.1868 -5.5053 -5.5053 -5.3855 -5.3855 -2.8994 -2.8994 -2.5851 -2.5851 -1.7095 -1.7095 -1.5671 -1.5671 -1.2660 -1.2660 -1.0483 -1.0483 0.5239 0.5239 0.9053 0.9053 1.0930 1.0930 1.4420 1.4420 4.2342 4.2342 4.3253 4.3253 4.7582 4.7582 5.4603 5.4603 k =-0.2959 0.2621 0.0000 ( 5026 PWs) bands (ev): -13.1964 -13.1964 -13.0577 -13.0577 -11.3472 -11.3472 -11.1916 -11.1916 -5.5016 -5.5016 -5.3988 -5.3988 -2.8839 -2.8839 -2.5966 -2.5966 -1.7613 -1.7613 -1.5929 -1.5929 -1.2781 -1.2781 -1.0568 -1.0568 0.5009 0.5009 0.9026 0.9026 1.0665 1.0665 1.4756 1.4756 4.2291 4.2291 4.3230 4.3230 4.8119 4.8119 5.4717 5.4717 k =-0.3061 0.2712 0.0000 ( 5022 PWs) bands (ev): -13.1876 -13.1876 -13.0520 -13.0520 -11.3450 -11.3450 -11.1962 -11.1962 -5.4977 -5.4977 -5.4118 -5.4118 -2.8682 -2.8682 -2.6076 -2.6076 -1.8123 -1.8123 -1.6173 -1.6173 -1.2893 -1.2893 -1.0650 -1.0650 0.4768 0.4768 0.8937 0.8937 1.0453 1.0453 1.5093 1.5093 4.2226 4.2226 4.3206 4.3206 4.8655 4.8655 5.4829 5.4829 k =-0.3163 0.2802 0.0000 ( 5030 PWs) bands (ev): -13.1789 -13.1789 -13.0465 -13.0465 -11.3429 -11.3429 -11.2007 -11.2007 -5.4938 -5.4938 -5.4244 -5.4244 -2.8526 -2.8526 -2.6181 -2.6181 -1.8621 -1.8621 -1.6403 -1.6403 -1.2998 -1.2998 -1.0728 -1.0728 0.4520 0.4520 0.8767 0.8767 1.0315 1.0315 1.5432 1.5432 4.2146 4.2146 4.3179 4.3179 4.9187 4.9187 5.4937 5.4937 k =-0.3265 0.2893 0.0000 ( 5034 PWs) bands (ev): -13.1705 -13.1705 -13.0411 -13.0411 -11.3409 -11.3409 -11.2051 -11.2051 -5.4898 -5.4898 -5.4365 -5.4365 -2.8371 -2.8371 -2.6279 -2.6279 -1.9106 -1.9106 -1.6618 -1.6618 -1.3094 -1.3094 -1.0804 -1.0804 0.4267 0.4267 0.8519 0.8519 1.0252 1.0252 1.5770 1.5770 4.2051 4.2051 4.3150 4.3150 4.9712 4.9712 5.5043 5.5043 k =-0.3367 0.2983 0.0000 ( 5034 PWs) bands (ev): -13.1624 -13.1624 -13.0358 -13.0358 -11.3390 -11.3390 -11.2094 -11.2094 -5.4858 -5.4858 -5.4481 -5.4481 -2.8220 -2.8220 -2.6371 -2.6371 -1.9576 -1.9576 -1.6820 -1.6820 -1.3182 -1.3182 -1.0876 -1.0876 0.4011 0.4011 0.8213 0.8213 1.0247 1.0247 1.6106 1.6106 4.1943 4.1943 4.3119 4.3119 5.0228 5.0228 5.5145 5.5145 k =-0.3469 0.3073 0.0000 ( 5028 PWs) bands (ev): -13.1545 -13.1545 -13.0308 -13.0308 -11.3371 -11.3371 -11.2135 -11.2135 -5.4819 -5.4819 -5.4592 -5.4592 -2.8074 -2.8074 -2.6453 -2.6453 -2.0028 -2.0028 -1.7007 -1.7007 -1.3262 -1.3262 -1.0945 -1.0945 0.3755 0.3755 0.7873 0.7873 1.0278 1.0278 1.6438 1.6438 4.1821 4.1821 4.3086 4.3086 5.0733 5.0733 5.5244 5.5244 k =-0.3571 0.3164 0.0000 ( 5028 PWs) bands (ev): -13.1470 -13.1470 -13.0260 -13.0260 -11.3353 -11.3353 -11.2174 -11.2174 -5.4784 -5.4784 -5.4693 -5.4693 -2.7937 -2.7937 -2.6525 -2.6525 -2.0460 -2.0460 -1.7180 -1.7180 -1.3334 -1.3334 -1.1009 -1.1009 0.3501 0.3501 0.7515 0.7515 1.0330 1.0330 1.6765 1.6765 4.1689 4.1689 4.3049 4.3049 5.1224 5.1224 5.5340 5.5340 k =-0.3673 0.3254 0.0000 ( 5032 PWs) bands (ev): -13.1398 -13.1398 -13.0214 -13.0214 -11.3336 -11.3336 -11.2211 -11.2211 -5.4813 -5.4813 -5.4725 -5.4725 -2.7812 -2.7812 -2.6583 -2.6583 -2.0871 -2.0871 -1.7339 -1.7339 -1.3398 -1.3398 -1.1071 -1.1071 0.3253 0.3253 0.7151 0.7151 1.0396 1.0396 1.7085 1.7085 4.1547 4.1547 4.3010 4.3010 5.1697 5.1697 5.5432 5.5432 k =-0.3776 0.3345 0.0000 ( 5024 PWs) bands (ev): -13.1330 -13.1330 -13.0170 -13.0170 -11.3320 -11.3320 -11.2246 -11.2246 -5.4901 -5.4901 -5.4692 -5.4692 -2.7704 -2.7704 -2.6624 -2.6624 -2.1258 -2.1258 -1.7485 -1.7485 -1.3454 -1.3454 -1.1128 -1.1128 0.3011 0.3011 0.6790 0.6790 1.0469 1.0469 1.7396 1.7396 4.1399 4.1399 4.2970 4.2970 5.2150 5.2150 5.5521 5.5521 k =-0.3878 0.3435 0.0000 ( 5032 PWs) bands (ev): -13.1266 -13.1266 -13.0130 -13.0130 -11.3306 -11.3306 -11.2278 -11.2278 -5.4988 -5.4988 -5.4656 -5.4656 -2.7617 -2.7617 -2.6645 -2.6645 -2.1620 -2.1620 -1.7618 -1.7618 -1.3503 -1.3503 -1.1181 -1.1181 0.2779 0.2779 0.6438 0.6438 1.0544 1.0544 1.7695 1.7695 4.1246 4.1246 4.2928 4.2928 5.2579 5.2579 5.5606 5.5606 k =-0.3980 0.3525 0.0000 ( 5030 PWs) bands (ev): -13.1206 -13.1206 -13.0092 -13.0092 -11.3292 -11.3292 -11.2308 -11.2308 -5.5069 -5.5069 -5.4620 -5.4620 -2.7554 -2.7554 -2.6643 -2.6643 -2.1955 -2.1955 -1.7737 -1.7737 -1.3545 -1.3545 -1.1230 -1.1230 0.2558 0.2558 0.6099 0.6099 1.0620 1.0620 1.7981 1.7981 4.1091 4.1091 4.2886 4.2886 5.2981 5.2981 5.5688 5.5688 k =-0.4082 0.3616 0.0000 ( 5026 PWs) bands (ev): -13.1152 -13.1152 -13.0057 -13.0057 -11.3280 -11.3280 -11.2336 -11.2336 -5.5143 -5.5143 -5.4586 -5.4586 -2.7516 -2.7516 -2.6619 -2.6619 -2.2262 -2.2262 -1.7844 -1.7844 -1.3580 -1.3580 -1.1274 -1.1274 0.2352 0.2352 0.5780 0.5780 1.0695 1.0695 1.8250 1.8250 4.0937 4.0937 4.2844 4.2844 5.3354 5.3354 5.5768 5.5768 k =-0.4184 0.3706 0.0000 ( 5030 PWs) bands (ev): -13.1102 -13.1102 -13.0026 -13.0026 -11.3268 -11.3268 -11.2361 -11.2361 -5.5210 -5.5210 -5.4554 -5.4554 -2.7500 -2.7500 -2.6577 -2.6577 -2.2540 -2.2540 -1.7938 -1.7938 -1.3610 -1.3610 -1.1314 -1.1314 0.2160 0.2160 0.5483 0.5483 1.0766 1.0766 1.8501 1.8501 4.0788 4.0788 4.2802 4.2802 5.3694 5.3694 5.5845 5.5845 k =-0.4286 0.3797 0.0000 ( 5034 PWs) bands (ev): -13.1058 -13.1058 -12.9998 -12.9998 -11.3258 -11.3258 -11.2384 -11.2384 -5.5270 -5.5270 -5.4525 -5.4525 -2.7499 -2.7499 -2.6526 -2.6526 -2.2787 -2.2787 -1.8020 -1.8020 -1.3633 -1.3633 -1.1350 -1.1350 0.1986 0.1986 0.5212 0.5212 1.0832 1.0832 1.8730 1.8730 4.0647 4.0647 4.2763 4.2763 5.3997 5.3997 5.5919 5.5919 k =-0.4388 0.3887 0.0000 ( 5030 PWs) bands (ev): -13.1019 -13.1019 -12.9973 -12.9973 -11.3250 -11.3250 -11.2403 -11.2403 -5.5322 -5.5322 -5.4499 -5.4499 -2.7508 -2.7508 -2.6471 -2.6471 -2.3002 -2.3002 -1.8091 -1.8091 -1.3652 -1.3652 -1.1381 -1.1381 0.1832 0.1832 0.4971 0.4971 1.0891 1.0891 1.8935 1.8935 4.0517 4.0517 4.2727 4.2727 5.4261 5.4261 5.5990 5.5990 k =-0.4490 0.3977 0.0000 ( 5032 PWs) bands (ev): -13.0986 -13.0986 -12.9952 -12.9952 -11.3242 -11.3242 -11.2420 -11.2420 -5.5367 -5.5367 -5.4477 -5.4477 -2.7520 -2.7520 -2.6418 -2.6418 -2.3185 -2.3185 -1.8150 -1.8150 -1.3667 -1.3667 -1.1407 -1.1407 0.1698 0.1698 0.4762 0.4762 1.0944 1.0944 1.9114 1.9114 4.0400 4.0400 4.2694 4.2694 5.4483 5.4483 5.6058 5.6058 k =-0.4592 0.4068 0.0000 ( 5028 PWs) bands (ev): -13.0959 -13.0959 -12.9935 -12.9935 -11.3236 -11.3236 -11.2434 -11.2434 -5.5403 -5.5403 -5.4458 -5.4458 -2.7534 -2.7534 -2.6371 -2.6371 -2.3334 -2.3334 -1.8198 -1.8198 -1.3678 -1.3678 -1.1429 -1.1429 0.1586 0.1586 0.4587 0.4587 1.0988 1.0988 1.9263 1.9263 4.0300 4.0300 4.2666 4.2666 5.4663 5.4663 5.6120 5.6120 k =-0.4694 0.4158 0.0000 ( 5020 PWs) bands (ev): -13.0937 -13.0937 -12.9921 -12.9921 -11.3231 -11.3231 -11.2445 -11.2445 -5.5431 -5.5431 -5.4443 -5.4443 -2.7547 -2.7547 -2.6332 -2.6332 -2.3451 -2.3451 -1.8235 -1.8235 -1.3685 -1.3685 -1.1445 -1.1445 0.1498 0.1498 0.4449 0.4449 1.1023 1.1023 1.9382 1.9382 4.0220 4.0220 4.2644 4.2644 5.4800 5.4800 5.6174 5.6174 k =-0.4796 0.4248 0.0000 ( 5030 PWs) bands (ev): -13.0922 -13.0922 -12.9911 -12.9911 -11.3228 -11.3228 -11.2452 -11.2452 -5.5452 -5.5452 -5.4432 -5.4432 -2.7557 -2.7557 -2.6304 -2.6304 -2.3534 -2.3534 -1.8261 -1.8261 -1.3690 -1.3690 -1.1458 -1.1458 0.1434 0.1434 0.4350 0.4350 1.1049 1.1049 1.9468 1.9468 4.0161 4.0161 4.2627 4.2627 5.4896 5.4896 5.6216 5.6216 k =-0.4898 0.4339 0.0000 ( 5024 PWs) bands (ev): -13.0913 -13.0913 -12.9905 -12.9905 -11.3226 -11.3226 -11.2457 -11.2457 -5.5464 -5.5464 -5.4425 -5.4425 -2.7563 -2.7563 -2.6287 -2.6287 -2.3584 -2.3584 -1.8277 -1.8277 -1.3693 -1.3693 -1.1465 -1.1465 0.1395 0.1395 0.4290 0.4290 1.1064 1.1064 1.9520 1.9520 4.0125 4.0125 4.2617 4.2617 5.4953 5.4953 5.6243 5.6243 k =-0.5000 0.4429 0.0000 ( 5028 PWs) bands (ev): -13.0910 -13.0910 -12.9904 -12.9904 -11.3225 -11.3225 -11.2458 -11.2458 -5.5468 -5.5468 -5.4423 -5.4423 -2.7565 -2.7565 -2.6281 -2.6281 -2.3601 -2.3601 -1.8282 -1.8282 -1.3694 -1.3694 -1.1467 -1.1467 0.1383 0.1383 0.4269 0.4269 1.1069 1.1069 1.9538 1.9538 4.0112 4.0112 4.2613 4.2613 5.4972 5.4972 5.6252 5.6252 k =-0.5000 0.4429 0.0000 ( 5028 PWs) bands (ev): -13.0910 -13.0910 -12.9904 -12.9904 -11.3225 -11.3225 -11.2458 -11.2458 -5.5468 -5.5468 -5.4423 -5.4423 -2.7565 -2.7565 -2.6281 -2.6281 -2.3601 -2.3601 -1.8282 -1.8282 -1.3694 -1.3694 -1.1467 -1.1467 0.1383 0.1383 0.4269 0.4269 1.1069 1.1069 1.9538 1.9538 4.0112 4.0112 4.2613 4.2613 5.4972 5.4972 5.6252 5.6252 k =-0.4910 0.4531-0.0000 ( 5032 PWs) bands (ev): -13.0909 -13.0909 -12.9906 -12.9906 -11.3225 -11.3225 -11.2461 -11.2461 -5.5466 -5.5466 -5.4419 -5.4419 -2.7571 -2.7571 -2.6277 -2.6277 -2.3592 -2.3592 -1.8275 -1.8275 -1.3705 -1.3705 -1.1480 -1.1480 0.1415 0.1415 0.4277 0.4277 1.1085 1.1085 1.9535 1.9535 4.0109 4.0109 4.2610 4.2610 5.4960 5.4960 5.6224 5.6224 k =-0.4821 0.4632-0.0000 ( 5022 PWs) bands (ev): -13.0909 -13.0909 -12.9913 -12.9913 -11.3225 -11.3225 -11.2470 -11.2470 -5.5458 -5.5458 -5.4408 -5.4408 -2.7590 -2.7590 -2.6265 -2.6265 -2.3565 -2.3565 -1.8253 -1.8253 -1.3737 -1.3737 -1.1518 -1.1518 0.1510 0.1510 0.4300 0.4300 1.1133 1.1133 1.9526 1.9526 4.0099 4.0099 4.2601 4.2601 5.4920 5.4920 5.6143 5.6143 k =-0.4731 0.4733-0.0000 ( 5028 PWs) bands (ev): -13.0907 -13.0907 -12.9924 -12.9924 -11.3225 -11.3225 -11.2485 -11.2485 -5.5445 -5.5445 -5.4390 -5.4390 -2.7621 -2.7621 -2.6246 -2.6246 -2.3521 -2.3521 -1.8215 -1.8215 -1.3789 -1.3789 -1.1580 -1.1580 0.1666 0.1666 0.4339 0.4339 1.1212 1.1212 1.9512 1.9512 4.0083 4.0083 4.2584 4.2584 5.4849 5.4849 5.6018 5.6018 k =-0.4641 0.4834-0.0000 ( 5034 PWs) bands (ev): -13.0905 -13.0905 -12.9940 -12.9940 -11.3225 -11.3225 -11.2505 -11.2505 -5.5427 -5.5427 -5.4364 -5.4364 -2.7663 -2.7663 -2.6218 -2.6218 -2.3459 -2.3459 -1.8164 -1.8164 -1.3860 -1.3860 -1.1665 -1.1665 0.1878 0.1878 0.4396 0.4396 1.1321 1.1321 1.9492 1.9492 4.0061 4.0061 4.2561 4.2561 5.4737 5.4737 5.5861 5.5861 k =-0.4552 0.4936-0.0000 ( 5030 PWs) bands (ev): -13.0902 -13.0902 -12.9961 -12.9961 -11.3224 -11.3224 -11.2531 -11.2531 -5.5406 -5.5406 -5.4331 -5.4331 -2.7716 -2.7716 -2.6180 -2.6180 -2.3379 -2.3379 -1.8097 -1.8097 -1.3949 -1.3949 -1.1772 -1.1772 0.2142 0.2142 0.4472 0.4472 1.1459 1.1459 1.9466 1.9466 4.0035 4.0035 4.2532 4.2532 5.4572 5.4572 5.5692 5.5692 k =-0.4462 0.5037-0.0000 ( 5041 PWs) bands (ev): -13.0899 -13.0899 -12.9986 -12.9986 -11.3224 -11.3224 -11.2562 -11.2562 -5.5381 -5.5381 -5.4290 -5.4290 -2.7779 -2.7779 -2.6135 -2.6135 -2.3281 -2.3281 -1.8016 -1.8016 -1.4054 -1.4054 -1.1899 -1.1899 0.2448 0.2448 0.4571 0.4571 1.1625 1.1625 1.9435 1.9435 4.0006 4.0006 4.2496 4.2496 5.4341 5.4341 5.5528 5.5528 k =-0.4462 0.5037-0.0000 ( 5041 PWs) bands (ev): -13.0899 -13.0899 -12.9986 -12.9986 -11.3224 -11.3224 -11.2562 -11.2562 -5.5381 -5.5381 -5.4290 -5.4290 -2.7779 -2.7779 -2.6135 -2.6135 -2.3281 -2.3281 -1.8016 -1.8016 -1.4054 -1.4054 -1.1899 -1.1899 0.2448 0.2448 0.4571 0.4571 1.1625 1.1625 1.9435 1.9435 4.0006 4.0006 4.2496 4.2496 5.4341 5.4341 5.5528 5.5528 k =-0.4462 0.5037 0.0134 ( 5031 PWs) bands (ev): -13.0897 -13.0897 -12.9988 -12.9988 -11.3222 -11.3222 -11.2563 -11.2563 -5.5379 -5.5379 -5.4293 -5.4293 -2.7773 -2.7773 -2.6128 -2.6128 -2.3273 -2.3273 -1.8030 -1.8030 -1.4063 -1.4063 -1.1907 -1.1907 0.2463 0.2463 0.4596 0.4596 1.1601 1.1601 1.9398 1.9398 4.0043 4.0043 4.2531 4.2531 5.4321 5.4321 5.5508 5.5508 k =-0.4462 0.5037 0.0268 ( 5027 PWs) bands (ev): -13.0893 -13.0893 -12.9993 -12.9993 -11.3218 -11.3218 -11.2566 -11.2566 -5.5376 -5.5376 -5.4301 -5.4301 -2.7755 -2.7755 -2.6108 -2.6108 -2.3250 -2.3250 -1.8073 -1.8073 -1.4089 -1.4089 -1.1931 -1.1931 0.2510 0.2510 0.4669 0.4669 1.1531 1.1531 1.9288 1.9288 4.0155 4.0155 4.2633 4.2633 5.4259 5.4259 5.5447 5.5447 k =-0.4462 0.5037 0.0403 ( 5029 PWs) bands (ev): -13.0884 -13.0884 -13.0003 -13.0003 -11.3211 -11.3211 -11.2572 -11.2572 -5.5370 -5.5370 -5.4316 -5.4316 -2.7725 -2.7725 -2.6077 -2.6077 -2.3210 -2.3210 -1.8142 -1.8142 -1.4131 -1.4131 -1.1972 -1.1972 0.2587 0.2587 0.4791 0.4791 1.1416 1.1416 1.9108 1.9108 4.0339 4.0339 4.2801 4.2801 5.4155 5.4155 5.5345 5.5345 k =-0.4462 0.5037 0.0537 ( 5023 PWs) bands (ev): -13.0873 -13.0873 -13.0015 -13.0015 -11.3202 -11.3202 -11.2580 -11.2580 -5.5361 -5.5361 -5.4335 -5.4335 -2.7682 -2.7682 -2.6036 -2.6036 -2.3156 -2.3156 -1.8237 -1.8237 -1.4186 -1.4186 -1.2030 -1.2030 0.2694 0.2694 0.4961 0.4961 1.1259 1.1259 1.8860 1.8860 4.0593 4.0593 4.3031 4.3031 5.4011 5.4011 5.5204 5.5204 k =-0.4462 0.5037 0.0671 ( 5022 PWs) bands (ev): -13.0858 -13.0858 -13.0031 -13.0031 -11.3190 -11.3190 -11.2590 -11.2590 -5.5350 -5.5350 -5.4360 -5.4360 -2.7627 -2.7627 -2.5988 -2.5988 -2.3086 -2.3086 -1.8356 -1.8356 -1.4249 -1.4249 -1.2104 -1.2104 0.2828 0.2828 0.5177 0.5177 1.1063 1.1063 1.8551 1.8551 4.0910 4.0910 4.3317 4.3317 5.3827 5.3827 5.5023 5.5023 k =-0.4462 0.5037 0.0805 ( 5024 PWs) bands (ev): -13.0841 -13.0841 -13.0050 -13.0050 -11.3175 -11.3175 -11.2602 -11.2602 -5.5336 -5.5336 -5.4389 -5.4389 -2.7559 -2.7559 -2.5936 -2.5936 -2.3001 -2.3001 -1.8497 -1.8497 -1.4318 -1.4318 -1.2196 -1.2196 0.2989 0.2989 0.5436 0.5436 1.0833 1.0833 1.8185 1.8185 4.1287 4.1287 4.3656 4.3656 5.3602 5.3602 5.4803 5.4803 k =-0.4462 0.5037 0.0939 ( 5020 PWs) bands (ev): -13.0820 -13.0820 -13.0073 -13.0073 -11.3158 -11.3158 -11.2617 -11.2617 -5.5320 -5.5320 -5.4423 -5.4423 -2.7479 -2.7479 -2.5884 -2.5884 -2.2902 -2.2902 -1.8658 -1.8658 -1.4386 -1.4386 -1.2304 -1.2304 0.3174 0.3174 0.5736 0.5736 1.0574 1.0574 1.7769 1.7769 4.1718 4.1718 4.4040 4.4040 5.3339 5.3339 5.4547 5.4547 k =-0.4462 0.5037 0.1074 ( 5022 PWs) bands (ev): -13.0797 -13.0797 -13.0098 -13.0098 -11.3140 -11.3140 -11.2633 -11.2633 -5.5300 -5.5300 -5.4461 -5.4461 -2.7386 -2.7386 -2.5835 -2.5835 -2.2789 -2.2789 -1.8836 -1.8836 -1.4450 -1.4450 -1.2429 -1.2429 0.3381 0.3381 0.6073 0.6073 1.0293 1.0293 1.7309 1.7309 4.2195 4.2195 4.4463 4.4463 5.3038 5.3038 5.4254 5.4254 k =-0.4462 0.5037 0.1208 ( 5023 PWs) bands (ev): -13.0771 -13.0771 -13.0126 -13.0126 -11.3119 -11.3119 -11.2651 -11.2651 -5.5278 -5.5278 -5.4503 -5.4503 -2.7282 -2.7282 -2.5794 -2.5794 -2.2662 -2.2662 -1.9029 -1.9029 -1.4505 -1.4505 -1.2568 -1.2568 0.3611 0.3611 0.6440 0.6440 0.9998 0.9998 1.6811 1.6811 4.2714 4.2714 4.4920 4.4920 5.2700 5.2700 5.3927 5.3927 k =-0.4462 0.5037 0.1342 ( 5027 PWs) bands (ev): -13.0743 -13.0743 -13.0157 -13.0157 -11.3096 -11.3096 -11.2671 -11.2671 -5.5253 -5.5253 -5.4547 -5.4547 -2.7168 -2.7168 -2.5763 -2.5763 -2.2523 -2.2523 -1.9233 -1.9233 -1.4546 -1.4546 -1.2721 -1.2721 0.3860 0.3860 0.6826 0.6826 0.9701 0.9701 1.6281 1.6281 4.3266 4.3266 4.5405 4.5405 5.2327 5.2327 5.3568 5.3568 k =-0.4462 0.5037 0.1476 ( 5027 PWs) bands (ev): -13.0712 -13.0712 -13.0189 -13.0189 -11.3072 -11.3072 -11.2693 -11.2693 -5.5224 -5.5224 -5.4594 -5.4594 -2.7044 -2.7044 -2.5745 -2.5745 -2.2372 -2.2372 -1.9448 -1.9448 -1.4569 -1.4569 -1.2885 -1.2885 0.4128 0.4128 0.7210 0.7210 0.9424 0.9424 1.5725 1.5725 4.3845 4.3845 4.5912 4.5912 5.1919 5.1919 5.3177 5.3177 k =-0.4462 0.5037 0.1610 ( 5035 PWs) bands (ev): -13.0680 -13.0680 -13.0224 -13.0224 -11.3046 -11.3046 -11.2716 -11.2716 -5.5193 -5.5193 -5.4643 -5.4643 -2.6914 -2.6914 -2.5744 -2.5744 -2.2209 -2.2209 -1.9669 -1.9669 -1.4571 -1.4571 -1.3058 -1.3058 0.4412 0.4412 0.7540 0.7540 0.9220 0.9220 1.5149 1.5149 4.4446 4.4446 4.6434 4.6434 5.1480 5.1480 5.2759 5.2759 k =-0.4462 0.5037 0.1744 ( 5030 PWs) bands (ev): -13.0645 -13.0645 -13.0260 -13.0260 -11.3020 -11.3020 -11.2740 -11.2740 -5.5158 -5.5158 -5.4693 -5.4693 -2.6779 -2.6779 -2.5761 -2.5761 -2.2035 -2.2035 -1.9896 -1.9896 -1.4550 -1.4550 -1.3236 -1.3236 0.4712 0.4712 0.7704 0.7704 0.9202 0.9202 1.4557 1.4557 4.5061 4.5061 4.6967 4.6967 5.1012 5.1012 5.2315 5.2315 k =-0.4462 0.5037 0.1879 ( 5022 PWs) bands (ev): -13.0609 -13.0609 -13.0298 -13.0298 -11.2992 -11.2992 -11.2766 -11.2766 -5.5121 -5.5121 -5.4744 -5.4744 -2.6641 -2.6641 -2.5797 -2.5797 -2.1851 -2.1851 -2.0125 -2.0125 -1.4504 -1.4504 -1.3416 -1.3416 0.5026 0.5026 0.7622 0.7622 0.9449 0.9449 1.3954 1.3954 4.5684 4.5684 4.7504 4.7504 5.0520 5.0520 5.1849 5.1849 k =-0.4462 0.5037 0.2013 ( 5018 PWs) bands (ev): -13.0572 -13.0572 -13.0336 -13.0336 -11.2964 -11.2964 -11.2793 -11.2793 -5.5081 -5.5081 -5.4796 -5.4796 -2.6503 -2.6503 -2.5852 -2.5852 -2.1658 -2.1658 -2.0354 -2.0354 -1.4433 -1.4433 -1.3596 -1.3596 0.5353 0.5353 0.7378 0.7378 0.9876 0.9876 1.3345 1.3345 4.6310 4.6310 4.8030 4.8030 5.0016 5.0016 5.1363 5.1363 k =-0.4462 0.5037 0.2147 ( 5021 PWs) bands (ev): -13.0534 -13.0534 -13.0375 -13.0375 -11.2935 -11.2935 -11.2820 -11.2820 -5.5038 -5.5038 -5.4846 -5.4846 -2.6369 -2.6369 -2.5926 -2.5926 -2.1456 -2.1456 -2.0583 -2.0583 -1.4339 -1.4339 -1.3769 -1.3769 0.5689 0.5689 0.7067 0.7067 1.0389 1.0389 1.2735 1.2735 4.6931 4.6931 4.8496 4.8496 4.9548 4.9548 5.0861 5.0861 k =-0.4462 0.5037 0.2281 ( 5030 PWs) bands (ev): -13.0495 -13.0495 -13.0415 -13.0415 -11.2906 -11.2906 -11.2848 -11.2848 -5.4993 -5.4993 -5.4897 -5.4897 -2.6242 -2.6242 -2.6017 -2.6017 -2.1247 -2.1247 -2.0809 -2.0809 -1.4223 -1.4223 -1.3935 -1.3935 0.6033 0.6033 0.6728 0.6728 1.0947 1.0947 1.2128 1.2128 4.7538 4.7538 4.8572 4.8572 4.9445 4.9445 5.0352 5.0352 k =-0.4462 0.5037 0.2415 ( 5030 PWs) bands (ev): -13.0455 -13.0455 -13.0455 -13.0455 -11.2877 -11.2877 -11.2877 -11.2877 -5.4946 -5.4946 -5.4946 -5.4946 -2.6123 -2.6123 -2.6123 -2.6123 -2.1030 -2.1030 -2.1030 -2.1030 -1.4087 -1.4087 -1.4087 -1.4087 0.6381 0.6381 0.6381 0.6381 1.1530 1.1530 1.1530 1.1530 4.8114 4.8114 4.8114 4.8114 4.9851 4.9851 4.9851 4.9851 k =-0.4462 0.5037 0.2415 ( 5030 PWs) bands (ev): -13.0455 -13.0455 -13.0455 -13.0455 -11.2877 -11.2877 -11.2877 -11.2877 -5.4946 -5.4946 -5.4946 -5.4946 -2.6123 -2.6123 -2.6123 -2.6123 -2.1030 -2.1030 -2.1030 -2.1030 -1.4087 -1.4087 -1.4087 -1.4087 0.6381 0.6381 0.6381 0.6381 1.1530 1.1530 1.1530 1.1530 4.8114 4.8114 4.8114 4.8114 4.9851 4.9851 4.9851 4.9851 k =-0.4552 0.4936 0.2415 ( 5030 PWs) bands (ev): -13.0445 -13.0445 -13.0445 -13.0445 -11.2861 -11.2861 -11.2861 -11.2861 -5.4990 -5.4990 -5.4990 -5.4990 -2.6028 -2.6028 -2.6028 -2.6028 -2.1118 -2.1118 -2.1118 -2.1118 -1.4089 -1.4089 -1.4089 -1.4089 0.6143 0.6143 0.6143 0.6143 1.1498 1.1498 1.1498 1.1498 4.8234 4.8234 4.8234 4.8234 4.9927 4.9927 4.9927 4.9927 k =-0.4641 0.4834 0.2415 ( 5024 PWs) bands (ev): -13.0437 -13.0437 -13.0437 -13.0437 -11.2847 -11.2847 -11.2847 -11.2847 -5.5027 -5.5027 -5.5027 -5.5027 -2.5949 -2.5949 -2.5949 -2.5949 -2.1190 -2.1190 -2.1190 -2.1190 -1.4089 -1.4089 -1.4089 -1.4089 0.5943 0.5943 0.5943 0.5943 1.1473 1.1473 1.1473 1.1473 4.8330 4.8330 4.8330 4.8330 4.9990 4.9990 4.9990 4.9990 k =-0.4731 0.4733 0.2415 ( 5016 PWs) bands (ev): -13.0430 -13.0430 -13.0430 -13.0430 -11.2835 -11.2835 -11.2835 -11.2835 -5.5056 -5.5056 -5.5056 -5.5056 -2.5886 -2.5886 -2.5886 -2.5886 -2.1246 -2.1246 -2.1246 -2.1246 -1.4088 -1.4088 -1.4088 -1.4088 0.5784 0.5784 0.5784 0.5784 1.1453 1.1453 1.1453 1.1453 4.8404 4.8404 4.8404 4.8404 5.0039 5.0039 5.0039 5.0039 k =-0.4821 0.4632 0.2415 ( 5018 PWs) bands (ev): -13.0426 -13.0426 -13.0426 -13.0426 -11.2827 -11.2827 -11.2827 -11.2827 -5.5077 -5.5077 -5.5077 -5.5077 -2.5840 -2.5840 -2.5840 -2.5840 -2.1285 -2.1285 -2.1285 -2.1285 -1.4086 -1.4086 -1.4086 -1.4086 0.5668 0.5668 0.5668 0.5668 1.1439 1.1439 1.1439 1.1439 4.8457 4.8457 4.8457 4.8457 5.0075 5.0075 5.0075 5.0075 k =-0.4910 0.4531 0.2415 ( 5024 PWs) bands (ev): -13.0423 -13.0423 -13.0423 -13.0423 -11.2823 -11.2823 -11.2823 -11.2823 -5.5090 -5.5090 -5.5090 -5.5090 -2.5813 -2.5813 -2.5813 -2.5813 -2.1309 -2.1309 -2.1309 -2.1309 -1.4085 -1.4085 -1.4085 -1.4085 0.5598 0.5598 0.5598 0.5598 1.1431 1.1431 1.1431 1.1431 4.8488 4.8488 4.8488 4.8488 5.0096 5.0096 5.0096 5.0096 k =-0.5000 0.4429 0.2415 ( 5016 PWs) bands (ev): -13.0422 -13.0422 -13.0422 -13.0422 -11.2821 -11.2821 -11.2821 -11.2821 -5.5094 -5.5094 -5.5094 -5.5094 -2.5804 -2.5804 -2.5804 -2.5804 -2.1317 -2.1317 -2.1317 -2.1317 -1.4084 -1.4084 -1.4084 -1.4084 0.5574 0.5574 0.5574 0.5574 1.1428 1.1428 1.1428 1.1428 4.8498 4.8498 4.8498 4.8498 5.0103 5.0103 5.0103 5.0103 k =-0.5000 0.4429 0.2415 ( 5016 PWs) bands (ev): -13.0422 -13.0422 -13.0422 -13.0422 -11.2821 -11.2821 -11.2821 -11.2821 -5.5094 -5.5094 -5.5094 -5.5094 -2.5804 -2.5804 -2.5804 -2.5804 -2.1317 -2.1317 -2.1317 -2.1317 -1.4084 -1.4084 -1.4084 -1.4084 0.5574 0.5574 0.5574 0.5574 1.1428 1.1428 1.1428 1.1428 4.8498 4.8498 4.8498 4.8498 5.0103 5.0103 5.0103 5.0103 k =-0.5000 0.4429 0.2281 ( 5020 PWs) bands (ev): -13.0466 -13.0466 -13.0378 -13.0378 -11.2854 -11.2854 -11.2788 -11.2788 -5.5138 -5.5138 -5.5048 -5.5048 -2.5880 -2.5880 -2.5746 -2.5746 -2.1536 -2.1536 -2.1093 -2.1093 -1.4182 -1.4182 -1.3962 -1.3962 0.5196 0.5196 0.5954 0.5954 1.0826 1.0826 1.2043 1.2043 4.7892 4.7892 4.8936 4.8936 4.9742 4.9742 5.0611 5.0611 k =-0.5000 0.4429 0.2147 ( 5030 PWs) bands (ev): -13.0509 -13.0509 -13.0335 -13.0335 -11.2888 -11.2888 -11.2755 -11.2755 -5.5179 -5.5179 -5.5000 -5.5000 -2.5973 -2.5973 -2.5708 -2.5708 -2.1749 -2.1749 -2.0865 -2.0865 -1.4255 -1.4255 -1.3818 -1.3818 0.4824 0.4824 0.6328 0.6328 1.0245 1.0245 1.2666 1.2666 4.7249 4.7249 4.8745 4.8745 4.9985 4.9985 5.1136 5.1136 k =-0.5000 0.4429 0.2013 ( 5032 PWs) bands (ev): -13.0551 -13.0551 -13.0291 -13.0291 -11.2921 -11.2921 -11.2723 -11.2723 -5.5218 -5.5218 -5.4950 -5.4950 -2.6081 -2.6081 -2.5689 -2.5689 -2.1954 -2.1954 -2.0635 -2.0635 -1.4302 -1.4302 -1.3654 -1.3654 0.4460 0.4460 0.6687 0.6687 0.9697 0.9697 1.3292 1.3292 4.6595 4.6595 4.8250 4.8250 5.0506 5.0506 5.1658 5.1658 k =-0.5000 0.4429 0.1879 ( 5020 PWs) bands (ev): -13.0592 -13.0592 -13.0249 -13.0249 -11.2954 -11.2954 -11.2693 -11.2693 -5.5253 -5.5253 -5.4900 -5.4900 -2.6201 -2.6201 -2.5688 -2.5688 -2.2150 -2.2150 -2.0403 -2.0403 -1.4325 -1.4325 -1.3475 -1.3475 0.4109 0.4109 0.7003 0.7003 0.9208 0.9208 1.3915 1.3915 4.5937 4.5937 4.7711 4.7711 5.1045 5.1045 5.2171 5.2171 k =-0.5000 0.4429 0.1744 ( 5016 PWs) bands (ev): -13.0632 -13.0632 -13.0207 -13.0207 -11.2986 -11.2986 -11.2663 -11.2663 -5.5286 -5.5286 -5.4849 -5.4849 -2.6331 -2.6331 -2.5705 -2.5705 -2.2338 -2.2338 -2.0173 -2.0173 -1.4324 -1.4324 -1.3284 -1.3284 0.3771 0.3771 0.7216 0.7216 0.8841 0.8841 1.4533 1.4533 4.5285 4.5285 4.7165 4.7165 5.1564 5.1564 5.2668 5.2668 k =-0.5000 0.4429 0.1610 ( 5014 PWs) bands (ev): -13.0670 -13.0670 -13.0167 -13.0167 -11.3017 -11.3017 -11.2635 -11.2635 -5.5316 -5.5316 -5.4798 -5.4798 -2.6466 -2.6466 -2.5736 -2.5736 -2.2514 -2.2514 -1.9945 -1.9945 -1.4302 -1.4302 -1.3084 -1.3084 0.3449 0.3449 0.7207 0.7207 0.8712 0.8712 1.5139 1.5139 4.4644 4.4644 4.6624 4.6624 5.2053 5.2053 5.3147 5.3147 k =-0.5000 0.4429 0.1476 ( 5016 PWs) bands (ev): -13.0705 -13.0705 -13.0129 -13.0129 -11.3047 -11.3047 -11.2608 -11.2608 -5.5343 -5.5343 -5.4748 -5.4748 -2.6605 -2.6605 -2.5780 -2.5780 -2.2680 -2.2680 -1.9722 -1.9722 -1.4263 -1.4263 -1.2881 -1.2881 0.3144 0.3144 0.6958 0.6958 0.8842 0.8842 1.5730 1.5730 4.4021 4.4021 4.6094 4.6094 5.2508 5.2508 5.3603 5.3603 k =-0.5000 0.4429 0.1342 ( 5024 PWs) bands (ev): -13.0739 -13.0739 -13.0093 -13.0093 -11.3076 -11.3076 -11.2583 -11.2583 -5.5367 -5.5367 -5.4700 -5.4700 -2.6743 -2.6743 -2.5834 -2.5834 -2.2834 -2.2834 -1.9507 -1.9507 -1.4210 -1.4210 -1.2678 -1.2678 0.2859 0.2859 0.6596 0.6596 0.9100 0.9100 1.6299 1.6299 4.3423 4.3423 4.5579 4.5579 5.2927 5.2927 5.4033 5.4033 k =-0.5000 0.4429 0.1208 ( 5024 PWs) bands (ev): -13.0770 -13.0770 -13.0059 -13.0059 -11.3102 -11.3102 -11.2561 -11.2561 -5.5387 -5.5387 -5.4653 -5.4653 -2.6879 -2.6879 -2.5893 -2.5893 -2.2976 -2.2976 -1.9301 -1.9301 -1.4147 -1.4147 -1.2480 -1.2480 0.2594 0.2594 0.6211 0.6211 0.9399 0.9399 1.6842 1.6842 4.2856 4.2856 4.5086 4.5086 5.3310 5.3310 5.4433 5.4433 k =-0.5000 0.4429 0.1074 ( 5040 PWs) bands (ev): -13.0798 -13.0798 -13.0028 -13.0028 -11.3126 -11.3126 -11.2540 -11.2540 -5.5406 -5.5406 -5.4609 -5.4609 -2.7008 -2.7008 -2.5957 -2.5957 -2.3104 -2.3104 -1.9107 -1.9107 -1.4077 -1.4077 -1.2290 -1.2290 0.2351 0.2351 0.5838 0.5838 0.9701 0.9701 1.7353 1.7353 4.2326 4.2326 4.4621 4.4621 5.3654 5.3654 5.4800 5.4800 k =-0.5000 0.4429 0.0939 ( 5032 PWs) bands (ev): -13.0824 -13.0824 -13.0000 -13.0000 -11.3149 -11.3149 -11.2521 -11.2521 -5.5421 -5.5421 -5.4569 -5.4569 -2.7128 -2.7128 -2.6020 -2.6020 -2.3219 -2.3219 -1.8928 -1.8928 -1.4005 -1.4005 -1.2113 -1.2113 0.2133 0.2133 0.5491 0.5491 0.9990 0.9990 1.7825 1.7825 4.1840 4.1840 4.4190 4.4190 5.3960 5.3960 5.5130 5.5130 k =-0.5000 0.4429 0.0805 ( 5026 PWs) bands (ev): -13.0846 -13.0846 -12.9975 -12.9975 -11.3168 -11.3168 -11.2505 -11.2505 -5.5434 -5.5434 -5.4532 -5.4532 -2.7238 -2.7238 -2.6081 -2.6081 -2.3319 -2.3319 -1.8766 -1.8766 -1.3934 -1.3934 -1.1952 -1.1952 0.1939 0.1939 0.5179 0.5179 1.0256 1.0256 1.8252 1.8252 4.1403 4.1403 4.3799 4.3799 5.4226 5.4226 5.5422 5.5422 k =-0.5000 0.4429 0.0671 ( 5030 PWs) bands (ev): -13.0865 -13.0865 -12.9954 -12.9954 -11.3185 -11.3185 -11.2491 -11.2491 -5.5445 -5.5445 -5.4500 -5.4500 -2.7334 -2.7334 -2.6138 -2.6138 -2.3404 -2.3404 -1.8624 -1.8624 -1.3867 -1.3867 -1.1810 -1.1810 0.1773 0.1773 0.4908 0.4908 1.0493 1.0493 1.8628 1.8628 4.1022 4.1022 4.3453 4.3453 5.4453 5.4453 5.5672 5.5672 k =-0.5000 0.4429 0.0537 ( 5026 PWs) bands (ev): -13.0881 -13.0881 -12.9936 -12.9936 -11.3199 -11.3199 -11.2479 -11.2479 -5.5454 -5.5454 -5.4473 -5.4473 -2.7415 -2.7415 -2.6187 -2.6187 -2.3475 -2.3475 -1.8504 -1.8504 -1.3809 -1.3809 -1.1690 -1.1690 0.1634 0.1634 0.4682 0.4682 1.0694 1.0694 1.8946 1.8946 4.0702 4.0702 4.3160 4.3160 5.4639 5.4639 5.5879 5.5879 k =-0.5000 0.4429 0.0403 ( 5022 PWs) bands (ev): -13.0894 -13.0894 -12.9922 -12.9922 -11.3210 -11.3210 -11.2470 -11.2470 -5.5460 -5.5460 -5.4451 -5.4451 -2.7480 -2.7480 -2.6227 -2.6227 -2.3530 -2.3530 -1.8409 -1.8409 -1.3760 -1.3760 -1.1594 -1.1594 0.1525 0.1525 0.4503 0.4503 1.0855 1.0855 1.9201 1.9201 4.0447 4.0447 4.2925 4.2925 5.4785 5.4785 5.6041 5.6041 k =-0.5000 0.4429 0.0268 ( 5022 PWs) bands (ev): -13.0903 -13.0903 -12.9912 -12.9912 -11.3218 -11.3218 -11.2464 -11.2464 -5.5465 -5.5465 -5.4436 -5.4436 -2.7527 -2.7527 -2.6256 -2.6256 -2.3569 -2.3569 -1.8339 -1.8339 -1.3724 -1.3724 -1.1524 -1.1524 0.1446 0.1446 0.4374 0.4374 1.0973 1.0973 1.9387 1.9387 4.0262 4.0262 4.2754 4.2754 5.4889 5.4889 5.6158 5.6158 k =-0.5000 0.4429 0.0134 ( 5024 PWs) bands (ev): -13.0908 -13.0908 -12.9906 -12.9906 -11.3223 -11.3223 -11.2460 -11.2460 -5.5467 -5.5467 -5.4426 -5.4426 -2.7556 -2.7556 -2.6275 -2.6275 -2.3593 -2.3593 -1.8296 -1.8296 -1.3702 -1.3702 -1.1481 -1.1481 0.1398 0.1398 0.4296 0.4296 1.1045 1.1045 1.9500 1.9500 4.0150 4.0150 4.2649 4.2649 5.4951 5.4951 5.6228 5.6228 k =-0.5000 0.4429 0.0000 ( 5028 PWs) bands (ev): -13.0910 -13.0910 -12.9904 -12.9904 -11.3225 -11.3225 -11.2458 -11.2458 -5.5468 -5.5468 -5.4423 -5.4423 -2.7565 -2.7565 -2.6281 -2.6281 -2.3601 -2.3601 -1.8282 -1.8282 -1.3694 -1.3694 -1.1467 -1.1467 0.1383 0.1383 0.4269 0.4269 1.1069 1.1069 1.9538 1.9538 4.0112 4.0112 4.2613 4.2613 5.4972 5.4972 5.6252 5.6252 k = 0.0000 0.0000 0.2415 ( 5062 PWs) bands (ev): -13.2827 -13.2827 -13.2827 -13.2827 -11.2369 -11.2369 -11.2369 -11.2369 -5.3667 -5.3667 -5.3667 -5.3667 -2.6212 -2.6212 -2.6212 -2.6212 -1.0621 -1.0621 -1.0621 -1.0621 -0.6491 -0.6491 -0.6491 -0.6491 0.6659 0.6659 0.6659 0.6659 1.1030 1.1030 1.1030 1.1030 4.2517 4.2517 4.2517 4.2517 4.6613 4.6613 4.6613 4.6613 k =-0.0102 0.0090 0.2415 ( 5058 PWs) bands (ev): -13.2825 -13.2825 -13.2825 -13.2825 -11.2369 -11.2369 -11.2369 -11.2369 -5.3671 -5.3671 -5.3667 -5.3667 -2.6217 -2.6217 -2.6207 -2.6207 -1.0634 -1.0634 -1.0624 -1.0624 -0.6519 -0.6519 -0.6508 -0.6508 0.6623 0.6623 0.6710 0.6710 1.0992 1.0992 1.1090 1.1090 4.2442 4.2442 4.2565 4.2565 4.6558 4.6558 4.6701 4.6701 k =-0.0204 0.0181 0.2415 ( 5050 PWs) bands (ev): -13.2818 -13.2818 -13.2818 -13.2818 -11.2371 -11.2371 -11.2370 -11.2370 -5.3679 -5.3679 -5.3670 -5.3670 -2.6223 -2.6223 -2.6204 -2.6204 -1.0661 -1.0661 -1.0641 -1.0641 -0.6591 -0.6591 -0.6570 -0.6570 0.6602 0.6602 0.6775 0.6775 1.0976 1.0976 1.1171 1.1171 4.2347 4.2347 4.2586 4.2586 4.6539 4.6539 4.6818 4.6818 k =-0.0306 0.0271 0.2415 ( 5052 PWs) bands (ev): -13.2806 -13.2806 -13.2806 -13.2806 -11.2373 -11.2373 -11.2372 -11.2372 -5.3690 -5.3690 -5.3678 -5.3678 -2.6230 -2.6230 -2.6202 -2.6202 -1.0703 -1.0703 -1.0673 -1.0673 -0.6707 -0.6707 -0.6677 -0.6677 0.6594 0.6594 0.6854 0.6854 1.0982 1.0982 1.1275 1.1275 4.2235 4.2235 4.2578 4.2578 4.6557 4.6557 4.6958 4.6958 k =-0.0408 0.0362 0.2415 ( 5052 PWs) bands (ev): -13.2790 -13.2790 -13.2789 -13.2789 -11.2376 -11.2376 -11.2375 -11.2375 -5.3706 -5.3706 -5.3689 -5.3689 -2.6237 -2.6237 -2.6200 -2.6200 -1.0759 -1.0759 -1.0718 -1.0718 -0.6864 -0.6864 -0.6825 -0.6825 0.6597 0.6597 0.6944 0.6944 1.1010 1.1010 1.1399 1.1399 4.2113 4.2113 4.2546 4.2546 4.6608 4.6608 4.7117 4.7117 k =-0.0510 0.0452 0.2415 ( 5046 PWs) bands (ev): -13.2769 -13.2769 -13.2768 -13.2768 -11.2381 -11.2381 -11.2379 -11.2379 -5.3724 -5.3724 -5.3703 -5.3703 -2.6246 -2.6246 -2.6198 -2.6198 -1.0830 -1.0830 -1.0776 -1.0776 -0.7058 -0.7058 -0.7013 -0.7013 0.6608 0.6608 0.7040 0.7040 1.1060 1.1060 1.1544 1.1544 4.1986 4.1986 4.2492 4.2492 4.6689 4.6689 4.7288 4.7288 k =-0.0612 0.0542 0.2415 ( 5050 PWs) bands (ev): -13.2743 -13.2743 -13.2742 -13.2742 -11.2386 -11.2386 -11.2384 -11.2384 -5.3746 -5.3746 -5.3721 -5.3721 -2.6255 -2.6255 -2.6198 -2.6198 -1.0914 -1.0914 -1.0847 -1.0847 -0.7287 -0.7287 -0.7238 -0.7238 0.6624 0.6624 0.7139 0.7139 1.1132 1.1132 1.1707 1.1707 4.1859 4.1859 4.2423 4.2423 4.6795 4.6795 4.7467 4.7467 k =-0.0714 0.0633 0.2415 ( 5060 PWs) bands (ev): -13.2713 -13.2713 -13.2712 -13.2712 -11.2391 -11.2391 -11.2390 -11.2390 -5.3772 -5.3772 -5.3743 -5.3743 -2.6265 -2.6265 -2.6197 -2.6197 -1.1012 -1.1012 -1.0929 -1.0929 -0.7546 -0.7546 -0.7496 -0.7496 0.6641 0.6641 0.7236 0.7236 1.1224 1.1224 1.1888 1.1888 4.1736 4.1736 4.2346 4.2346 4.6920 4.6920 4.7651 4.7651 k =-0.0816 0.0723 0.2415 ( 5062 PWs) bands (ev): -13.2678 -13.2678 -13.2677 -13.2677 -11.2398 -11.2398 -11.2396 -11.2396 -5.3800 -5.3800 -5.3767 -5.3767 -2.6275 -2.6275 -2.6198 -2.6198 -1.1123 -1.1123 -1.1022 -1.1022 -0.7832 -0.7832 -0.7784 -0.7784 0.6657 0.6657 0.7328 0.7328 1.1337 1.1337 1.2085 1.2085 4.1621 4.1621 4.2266 4.2266 4.7059 4.7059 4.7836 4.7836 k =-0.0918 0.0814 0.2415 ( 5058 PWs) bands (ev): -13.2640 -13.2640 -13.2638 -13.2638 -11.2405 -11.2405 -11.2403 -11.2403 -5.3831 -5.3831 -5.3795 -5.3795 -2.6285 -2.6285 -2.6198 -2.6198 -1.1246 -1.1246 -1.1124 -1.1124 -0.8140 -0.8140 -0.8098 -0.8098 0.6668 0.6668 0.7410 0.7410 1.1468 1.1468 1.2295 1.2295 4.1517 4.1517 4.2188 4.2188 4.7208 4.7208 4.8021 4.8021 k =-0.1020 0.0904 0.2415 ( 5046 PWs) bands (ev): -13.2597 -13.2597 -13.2595 -13.2595 -11.2413 -11.2413 -11.2411 -11.2411 -5.3865 -5.3865 -5.3826 -5.3826 -2.6296 -2.6296 -2.6198 -2.6198 -1.1381 -1.1381 -1.1234 -1.1234 -0.8467 -0.8467 -0.8434 -0.8434 0.6672 0.6672 0.7479 0.7479 1.1618 1.1618 1.2516 1.2516 4.1426 4.1426 4.2118 4.2118 4.7363 4.7363 4.8202 4.8202 k =-0.1122 0.0994 0.2415 ( 5040 PWs) bands (ev): -13.2550 -13.2550 -13.2548 -13.2548 -11.2422 -11.2422 -11.2420 -11.2420 -5.3902 -5.3902 -5.3859 -5.3859 -2.6308 -2.6308 -2.6198 -2.6198 -1.1529 -1.1529 -1.1352 -1.1352 -0.8807 -0.8807 -0.8791 -0.8791 0.6667 0.6667 0.7532 0.7532 1.1782 1.1782 1.2746 1.2746 4.1351 4.1351 4.2058 4.2058 4.7522 4.7522 4.8380 4.8380 k =-0.1224 0.1085 0.2415 ( 5036 PWs) bands (ev): -13.2500 -13.2500 -13.2498 -13.2498 -11.2432 -11.2432 -11.2429 -11.2429 -5.3941 -5.3941 -5.3895 -5.3895 -2.6319 -2.6319 -2.6199 -2.6199 -1.1690 -1.1690 -1.1476 -1.1476 -0.9164 -0.9164 -0.9157 -0.9157 0.6651 0.6651 0.7567 0.7567 1.1960 1.1960 1.2981 1.2981 4.1294 4.1294 4.2012 4.2012 4.7681 4.7681 4.8553 4.8553 k =-0.1327 0.1175 0.2415 ( 5042 PWs) bands (ev): -13.2446 -13.2446 -13.2444 -13.2444 -11.2442 -11.2442 -11.2439 -11.2439 -5.3982 -5.3982 -5.3933 -5.3933 -2.6330 -2.6330 -2.6198 -2.6198 -1.1864 -1.1864 -1.1605 -1.1605 -0.9551 -0.9551 -0.9511 -0.9511 0.6623 0.6623 0.7583 0.7583 1.2147 1.2147 1.3219 1.3219 4.1255 4.1255 4.1982 4.1982 4.7839 4.7839 4.8720 4.8720 k =-0.1429 0.1266 0.2415 ( 5042 PWs) bands (ev): -13.2389 -13.2389 -13.2386 -13.2386 -11.2453 -11.2453 -11.2450 -11.2450 -5.4025 -5.4025 -5.3973 -5.3973 -2.6342 -2.6342 -2.6198 -2.6198 -1.2054 -1.2054 -1.1739 -1.1739 -0.9948 -0.9948 -0.9864 -0.9864 0.6582 0.6582 0.7580 0.7580 1.2340 1.2340 1.3457 1.3457 4.1236 4.1236 4.1969 4.1969 4.7996 4.7996 4.8882 4.8882 k =-0.1531 0.1356 0.2415 ( 5042 PWs) bands (ev): -13.2328 -13.2328 -13.2326 -13.2326 -11.2464 -11.2464 -11.2461 -11.2461 -5.4069 -5.4069 -5.4015 -5.4015 -2.6352 -2.6352 -2.6197 -2.6197 -1.2262 -1.2262 -1.1878 -1.1878 -1.0353 -1.0353 -1.0212 -1.0212 0.6528 0.6528 0.7558 0.7558 1.2537 1.2537 1.3691 1.3691 4.1237 4.1237 4.1976 4.1976 4.8150 4.8150 4.9038 4.9038 k =-0.1633 0.1446 0.2415 ( 5046 PWs) bands (ev): -13.2265 -13.2265 -13.2262 -13.2262 -11.2477 -11.2477 -11.2473 -11.2473 -5.4115 -5.4115 -5.4059 -5.4059 -2.6363 -2.6363 -2.6195 -2.6195 -1.2491 -1.2491 -1.2021 -1.2021 -1.0762 -1.0762 -1.0547 -1.0547 0.6461 0.6461 0.7518 0.7518 1.2732 1.2732 1.3919 1.3919 4.1258 4.1258 4.2002 4.2002 4.8301 4.8301 4.9189 4.9189 k =-0.1735 0.1537 0.2415 ( 5038 PWs) bands (ev): -13.2199 -13.2199 -13.2196 -13.2196 -11.2489 -11.2489 -11.2485 -11.2485 -5.4161 -5.4161 -5.4104 -5.4104 -2.6373 -2.6373 -2.6192 -2.6192 -1.2743 -1.2743 -1.2172 -1.2172 -1.1170 -1.1170 -1.0864 -1.0864 0.6382 0.6382 0.7461 0.7461 1.2923 1.2923 1.4138 1.4138 4.1300 4.1300 4.2049 4.2049 4.8449 4.8449 4.9335 4.9335 k =-0.1837 0.1627 0.2415 ( 5030 PWs) bands (ev): -13.2131 -13.2131 -13.2128 -13.2128 -11.2502 -11.2502 -11.2498 -11.2498 -5.4209 -5.4209 -5.4150 -5.4150 -2.6382 -2.6382 -2.6188 -2.6188 -1.3021 -1.3021 -1.2336 -1.2336 -1.1568 -1.1568 -1.1158 -1.1158 0.6291 0.6291 0.7388 0.7388 1.3107 1.3107 1.4345 1.4345 4.1363 4.1363 4.2116 4.2116 4.8594 4.8594 4.9476 4.9476 k =-0.1939 0.1717 0.2415 ( 5022 PWs) bands (ev): -13.2060 -13.2060 -13.2057 -13.2057 -11.2515 -11.2515 -11.2511 -11.2511 -5.4257 -5.4257 -5.4196 -5.4196 -2.6391 -2.6391 -2.6183 -2.6183 -1.3326 -1.3326 -1.2531 -1.2531 -1.1936 -1.1936 -1.1427 -1.1427 0.6190 0.6190 0.7301 0.7301 1.3280 1.3280 1.4538 1.4538 4.1445 4.1445 4.2204 4.2204 4.8735 4.8735 4.9613 4.9613 k =-0.2041 0.1808 0.2415 ( 5022 PWs) bands (ev): -13.1988 -13.1988 -13.1985 -13.1985 -11.2529 -11.2529 -11.2525 -11.2525 -5.4305 -5.4305 -5.4243 -5.4243 -2.6398 -2.6398 -2.6177 -2.6177 -1.3655 -1.3655 -1.2790 -1.2790 -1.2239 -1.2239 -1.1669 -1.1669 0.6079 0.6079 0.7201 0.7201 1.3439 1.3439 1.4714 1.4714 4.1547 4.1547 4.2311 4.2311 4.8872 4.8872 4.9745 4.9745 k =-0.2143 0.1898 0.2415 ( 5028 PWs) bands (ev): -13.1914 -13.1914 -13.1911 -13.1911 -11.2543 -11.2543 -11.2539 -11.2539 -5.4353 -5.4353 -5.4291 -5.4291 -2.6405 -2.6405 -2.6170 -2.6170 -1.4005 -1.4005 -1.3126 -1.3126 -1.2461 -1.2461 -1.1887 -1.1887 0.5961 0.5961 0.7092 0.7092 1.3582 1.3582 1.4870 1.4870 4.1668 4.1668 4.2437 4.2437 4.9007 4.9007 4.9874 4.9874 k =-0.2245 0.1989 0.2415 ( 5028 PWs) bands (ev): -13.1839 -13.1839 -13.1836 -13.1836 -11.2557 -11.2557 -11.2553 -11.2553 -5.4401 -5.4401 -5.4339 -5.4339 -2.6410 -2.6410 -2.6162 -2.6162 -1.4372 -1.4372 -1.3512 -1.3512 -1.2629 -1.2629 -1.2084 -1.2084 0.5837 0.5837 0.6974 0.6974 1.3706 1.3706 1.5005 1.5005 4.1807 4.1807 4.2582 4.2582 4.9137 4.9137 4.9999 4.9999 k =-0.2347 0.2079 0.2415 ( 5010 PWs) bands (ev): -13.1763 -13.1763 -13.1760 -13.1760 -11.2571 -11.2571 -11.2567 -11.2567 -5.4449 -5.4449 -5.4386 -5.4386 -2.6415 -2.6415 -2.6152 -2.6152 -1.4750 -1.4750 -1.3917 -1.3917 -1.2771 -1.2771 -1.2261 -1.2261 0.5709 0.5709 0.6851 0.6851 1.3809 1.3809 1.5116 1.5116 4.1964 4.1964 4.2745 4.2745 4.9264 4.9264 5.0121 5.0121 k =-0.2449 0.2169 0.2415 ( 5004 PWs) bands (ev): -13.1686 -13.1686 -13.1683 -13.1683 -11.2586 -11.2586 -11.2582 -11.2582 -5.4496 -5.4496 -5.4433 -5.4433 -2.6417 -2.6417 -2.6141 -2.6141 -1.5136 -1.5136 -1.4329 -1.4329 -1.2898 -1.2898 -1.2423 -1.2423 0.5580 0.5580 0.6725 0.6725 1.3890 1.3890 1.5203 1.5203 4.2137 4.2137 4.2924 4.2924 4.9387 4.9387 5.0238 5.0238 k =-0.2551 0.2260 0.2415 ( 5012 PWs) bands (ev): -13.1609 -13.1609 -13.1606 -13.1606 -11.2601 -11.2601 -11.2596 -11.2596 -5.4542 -5.4542 -5.4479 -5.4479 -2.6419 -2.6419 -2.6128 -2.6128 -1.5527 -1.5527 -1.4742 -1.4742 -1.3015 -1.3015 -1.2571 -1.2571 0.5450 0.5450 0.6597 0.6597 1.3947 1.3947 1.5263 1.5263 4.2326 4.2326 4.3119 4.3119 4.9506 4.9506 5.0351 5.0351 k =-0.2653 0.2350 0.2415 ( 5002 PWs) bands (ev): -13.1532 -13.1532 -13.1529 -13.1529 -11.2615 -11.2615 -11.2611 -11.2611 -5.4586 -5.4586 -5.4524 -5.4524 -2.6418 -2.6418 -2.6114 -2.6114 -1.5918 -1.5918 -1.5152 -1.5152 -1.3123 -1.3123 -1.2707 -1.2707 0.5323 0.5323 0.6470 0.6470 1.3980 1.3980 1.5296 1.5296 4.2530 4.2530 4.3329 4.3329 4.9620 4.9620 5.0459 5.0459 k =-0.2755 0.2441 0.2415 ( 4998 PWs) bands (ev): -13.1455 -13.1455 -13.1452 -13.1452 -11.2629 -11.2629 -11.2625 -11.2625 -5.4630 -5.4630 -5.4569 -5.4569 -2.6416 -2.6416 -2.6098 -2.6098 -1.6307 -1.6307 -1.5558 -1.5558 -1.3224 -1.3224 -1.2833 -1.2833 0.5201 0.5201 0.6346 0.6346 1.3987 1.3987 1.5302 1.5302 4.2748 4.2748 4.3552 4.3552 4.9728 4.9728 5.0562 5.0562 k =-0.2857 0.2531 0.2415 ( 5002 PWs) bands (ev): -13.1379 -13.1379 -13.1376 -13.1376 -11.2644 -11.2644 -11.2640 -11.2640 -5.4672 -5.4672 -5.4612 -5.4612 -2.6412 -2.6412 -2.6081 -2.6081 -1.6693 -1.6693 -1.5959 -1.5959 -1.3319 -1.3319 -1.2949 -1.2949 0.5085 0.5085 0.6227 0.6227 1.3968 1.3968 1.5279 1.5279 4.2979 4.2979 4.3789 4.3789 4.9830 4.9830 5.0659 5.0659 k =-0.2959 0.2621 0.2415 ( 5006 PWs) bands (ev): -13.1304 -13.1304 -13.1301 -13.1301 -11.2658 -11.2658 -11.2654 -11.2654 -5.4713 -5.4713 -5.4654 -5.4654 -2.6405 -2.6405 -2.6063 -2.6063 -1.7073 -1.7073 -1.6352 -1.6352 -1.3407 -1.3407 -1.3057 -1.3057 0.4977 0.4977 0.6116 0.6116 1.3923 1.3923 1.5228 1.5228 4.3222 4.3222 4.4036 4.4036 4.9925 4.9925 5.0750 5.0750 k =-0.3061 0.2712 0.2415 ( 5014 PWs) bands (ev): -13.1230 -13.1230 -13.1227 -13.1227 -11.2672 -11.2672 -11.2668 -11.2668 -5.4752 -5.4752 -5.4694 -5.4694 -2.6397 -2.6397 -2.6042 -2.6042 -1.7447 -1.7447 -1.6737 -1.6737 -1.3489 -1.3489 -1.3158 -1.3158 0.4880 0.4880 0.6013 0.6013 1.3854 1.3854 1.5149 1.5149 4.3477 4.3477 4.4295 4.4295 5.0012 5.0012 5.0833 5.0833 k =-0.3163 0.2802 0.2415 ( 5018 PWs) bands (ev): -13.1157 -13.1157 -13.1154 -13.1154 -11.2685 -11.2685 -11.2682 -11.2682 -5.4789 -5.4789 -5.4733 -5.4733 -2.6386 -2.6386 -2.6021 -2.6021 -1.7811 -1.7811 -1.7114 -1.7114 -1.3565 -1.3565 -1.3251 -1.3251 0.4796 0.4796 0.5921 0.5921 1.3760 1.3760 1.5044 1.5044 4.3741 4.3741 4.4563 4.4563 5.0091 5.0091 5.0908 5.0908 k =-0.3265 0.2893 0.2415 ( 5016 PWs) bands (ev): -13.1087 -13.1087 -13.1084 -13.1084 -11.2699 -11.2699 -11.2695 -11.2695 -5.4824 -5.4824 -5.4770 -5.4770 -2.6372 -2.6372 -2.5998 -2.5998 -1.8165 -1.8165 -1.7480 -1.7480 -1.3635 -1.3635 -1.3337 -1.3337 0.4724 0.4724 0.5840 0.5840 1.3644 1.3644 1.4913 1.4913 4.4015 4.4015 4.4839 4.4839 5.0161 5.0161 5.0973 5.0973 k =-0.3367 0.2983 0.2415 ( 5010 PWs) bands (ev): -13.1018 -13.1018 -13.1016 -13.1016 -11.2711 -11.2711 -11.2708 -11.2708 -5.4857 -5.4857 -5.4805 -5.4805 -2.6356 -2.6356 -2.5974 -2.5974 -1.8508 -1.8508 -1.7835 -1.7835 -1.3699 -1.3699 -1.3418 -1.3418 0.4668 0.4668 0.5772 0.5772 1.3508 1.3508 1.4758 1.4758 4.4297 4.4297 4.5122 4.5122 5.0219 5.0219 5.1028 5.1028 k =-0.3469 0.3073 0.2415 ( 5010 PWs) bands (ev): -13.0952 -13.0952 -13.0950 -13.0950 -11.2724 -11.2724 -11.2720 -11.2720 -5.4888 -5.4888 -5.4838 -5.4838 -2.6336 -2.6336 -2.5949 -2.5949 -1.8838 -1.8838 -1.8179 -1.8179 -1.3758 -1.3758 -1.3492 -1.3492 0.4628 0.4628 0.5717 0.5717 1.3352 1.3352 1.4581 1.4581 4.4585 4.4585 4.5410 4.5410 5.0267 5.0267 5.1072 5.1072 k =-0.3571 0.3164 0.2415 ( 5012 PWs) bands (ev): -13.0889 -13.0889 -13.0887 -13.0887 -11.2735 -11.2735 -11.2732 -11.2732 -5.4917 -5.4917 -5.4870 -5.4870 -2.6314 -2.6314 -2.5923 -2.5923 -1.9154 -1.9154 -1.8511 -1.8511 -1.3812 -1.3812 -1.3562 -1.3562 0.4604 0.4604 0.5675 0.5675 1.3181 1.3181 1.4384 1.4384 4.4878 4.4878 4.5703 4.5703 5.0302 5.0302 5.1103 5.1103 k =-0.3673 0.3254 0.2415 ( 5016 PWs) bands (ev): -13.0829 -13.0829 -13.0827 -13.0827 -11.2747 -11.2747 -11.2743 -11.2743 -5.4943 -5.4943 -5.4899 -5.4899 -2.6289 -2.6289 -2.5897 -2.5897 -1.9454 -1.9454 -1.8829 -1.8829 -1.3861 -1.3861 -1.3626 -1.3626 0.4597 0.4597 0.5647 0.5647 1.2996 1.2996 1.4170 1.4170 4.5175 4.5175 4.5998 4.5998 5.0325 5.0325 5.1122 5.1122 k =-0.3776 0.3345 0.2415 ( 5016 PWs) bands (ev): -13.0772 -13.0772 -13.0770 -13.0770 -11.2757 -11.2757 -11.2754 -11.2754 -5.4968 -5.4968 -5.4927 -5.4927 -2.6261 -2.6261 -2.5871 -2.5871 -1.9738 -1.9738 -1.9134 -1.9134 -1.3904 -1.3904 -1.3686 -1.3686 0.4608 0.4608 0.5632 0.5632 1.2802 1.2802 1.3941 1.3941 4.5475 4.5475 4.6294 4.6294 5.0334 5.0334 5.1126 5.1126 k =-0.3878 0.3435 0.2415 ( 5004 PWs) bands (ev): -13.0719 -13.0719 -13.0717 -13.0717 -11.2767 -11.2767 -11.2764 -11.2764 -5.4990 -5.4990 -5.4952 -5.4952 -2.6230 -2.6230 -2.5846 -2.5846 -2.0003 -2.0003 -1.9423 -1.9423 -1.3943 -1.3943 -1.3741 -1.3741 0.4636 0.4636 0.5628 0.5628 1.2602 1.2602 1.3700 1.3700 4.5775 4.5775 4.6590 4.6590 5.0329 5.0329 5.1116 5.1116 k =-0.3980 0.3525 0.2415 ( 5004 PWs) bands (ev): -13.0670 -13.0670 -13.0668 -13.0668 -11.2776 -11.2776 -11.2774 -11.2774 -5.5010 -5.5010 -5.4975 -5.4975 -2.6195 -2.6195 -2.5821 -2.5821 -2.0249 -2.0249 -1.9697 -1.9697 -1.3977 -1.3977 -1.3792 -1.3792 0.4680 0.4680 0.5635 0.5635 1.2400 1.2400 1.3452 1.3452 4.6074 4.6074 4.6882 4.6882 5.0310 5.0310 5.1090 5.1090 k =-0.4082 0.3616 0.2415 ( 5008 PWs) bands (ev): -13.0624 -13.0624 -13.0622 -13.0622 -11.2785 -11.2785 -11.2782 -11.2782 -5.5028 -5.5028 -5.4996 -5.4996 -2.6159 -2.6159 -2.5798 -2.5798 -2.0474 -2.0474 -1.9954 -1.9954 -1.4007 -1.4007 -1.3838 -1.3838 0.4739 0.4739 0.5649 0.5649 1.2202 1.2202 1.3199 1.3199 4.6370 4.6370 4.7169 4.7169 5.0278 5.0278 5.1049 5.1049 k =-0.4184 0.3706 0.2415 ( 5004 PWs) bands (ev): -13.0583 -13.0583 -13.0581 -13.0581 -11.2792 -11.2792 -11.2790 -11.2790 -5.5044 -5.5044 -5.5015 -5.5015 -2.6119 -2.6119 -2.5778 -2.5778 -2.0676 -2.0676 -2.0193 -2.0193 -1.4033 -1.4033 -1.3881 -1.3881 0.4813 0.4813 0.5668 0.5668 1.2012 1.2012 1.2945 1.2945 4.6662 4.6662 4.7447 4.7447 5.0233 5.0233 5.0992 5.0992 k =-0.4286 0.3797 0.2415 ( 5006 PWs) bands (ev): -13.0546 -13.0546 -13.0545 -13.0545 -11.2799 -11.2799 -11.2797 -11.2797 -5.5057 -5.5057 -5.5032 -5.5032 -2.6078 -2.6078 -2.5762 -2.5762 -2.0854 -2.0854 -2.0413 -2.0413 -1.4054 -1.4054 -1.3920 -1.3920 0.4898 0.4898 0.5689 0.5689 1.1836 1.1836 1.2694 1.2694 4.6947 4.6947 4.7713 4.7713 5.0177 5.0177 5.0919 5.0919 k =-0.4388 0.3887 0.2415 ( 5006 PWs) bands (ev): -13.0514 -13.0514 -13.0513 -13.0513 -11.2805 -11.2805 -11.2803 -11.2803 -5.5069 -5.5069 -5.5047 -5.5047 -2.6036 -2.6036 -2.5749 -2.5749 -2.1006 -2.1006 -2.0613 -2.0613 -1.4070 -1.4070 -1.3955 -1.3955 0.4994 0.4994 0.5708 0.5708 1.1680 1.1680 1.2452 1.2452 4.7223 4.7223 4.7963 4.7963 5.0113 5.0113 5.0831 5.0831 k =-0.4490 0.3977 0.2415 ( 5010 PWs) bands (ev): -13.0486 -13.0486 -13.0485 -13.0485 -11.2810 -11.2810 -11.2808 -11.2808 -5.5078 -5.5078 -5.5060 -5.5060 -2.5993 -2.5993 -2.5743 -2.5743 -2.1131 -2.1131 -2.0792 -2.0792 -1.4083 -1.4083 -1.3986 -1.3986 0.5095 0.5095 0.5720 0.5720 1.1548 1.1548 1.2222 1.2222 4.7488 4.7488 4.8188 4.8188 5.0047 5.0047 5.0729 5.0729 k =-0.4592 0.4068 0.2415 ( 5008 PWs) bands (ev): -13.0463 -13.0463 -13.0463 -13.0463 -11.2814 -11.2814 -11.2813 -11.2813 -5.5085 -5.5085 -5.5071 -5.5071 -2.5950 -2.5950 -2.5742 -2.5742 -2.1227 -2.1227 -2.0948 -2.0948 -1.4091 -1.4091 -1.4014 -1.4014 0.5200 0.5200 0.5723 0.5723 1.1448 1.1448 1.2009 1.2009 4.7738 4.7738 4.8378 4.8378 4.9988 4.9988 5.0614 5.0614 k =-0.4694 0.4158 0.2415 ( 5004 PWs) bands (ev): -13.0446 -13.0446 -13.0445 -13.0445 -11.2817 -11.2817 -11.2816 -11.2816 -5.5090 -5.5090 -5.5079 -5.5079 -2.5909 -2.5909 -2.5747 -2.5747 -2.1294 -2.1294 -2.1079 -2.1079 -1.4096 -1.4096 -1.4037 -1.4037 0.5305 0.5305 0.5711 0.5711 1.1383 1.1383 1.1818 1.1818 4.7971 4.7971 4.8518 4.8518 4.9953 4.9953 5.0488 5.0488 k =-0.4796 0.4248 0.2415 ( 5020 PWs) bands (ev): -13.0433 -13.0433 -13.0432 -13.0432 -11.2819 -11.2819 -11.2819 -11.2819 -5.5094 -5.5094 -5.5086 -5.5086 -2.5870 -2.5870 -2.5760 -2.5760 -2.1332 -2.1332 -2.1186 -2.1186 -1.4096 -1.4096 -1.4057 -1.4057 0.5404 0.5404 0.5683 0.5683 1.1357 1.1357 1.1655 1.1655 4.8180 4.8180 4.8588 4.8588 4.9956 4.9956 5.0356 5.0356 k =-0.4898 0.4339 0.2415 ( 5016 PWs) bands (ev): -13.0425 -13.0425 -13.0425 -13.0425 -11.2821 -11.2821 -11.2820 -11.2820 -5.5095 -5.5095 -5.5091 -5.5091 -2.5835 -2.5835 -2.5779 -2.5779 -2.1339 -2.1339 -2.1266 -2.1266 -1.4092 -1.4092 -1.4073 -1.4073 0.5495 0.5495 0.5637 0.5637 1.1372 1.1372 1.1523 1.1523 4.8360 4.8360 4.8580 4.8580 5.0008 5.0008 5.0224 5.0224 k =-0.5000 0.4429 0.2415 ( 5016 PWs) bands (ev): -13.0422 -13.0422 -13.0422 -13.0422 -11.2821 -11.2821 -11.2821 -11.2821 -5.5094 -5.5094 -5.5094 -5.5094 -2.5804 -2.5804 -2.5804 -2.5804 -2.1317 -2.1317 -2.1317 -2.1317 -1.4084 -1.4084 -1.4084 -1.4084 0.5574 0.5574 0.5574 0.5574 1.1428 1.1428 1.1428 1.1428 4.8498 4.8498 4.8498 4.8498 5.0103 5.0103 5.0103 5.0103 Writing output data file CSe2.save init_run : 0.23s CPU 0.54s WALL ( 1 calls) electrons : 83.27s CPU 85.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 83.26s CPU 85.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 358 calls) cegterg : 75.11s CPU 76.26s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 46.77s CPU 48.12s WALL ( 5068 calls) s_psi : 1.46s CPU 1.42s WALL ( 5068 calls) g_psi : 0.22s CPU 0.21s WALL ( 4352 calls) cdiaghg : 22.83s CPU 22.95s WALL ( 4710 calls) cegterg:over : 3.61s CPU 3.73s WALL ( 4352 calls) cegterg:upda : 3.12s CPU 3.04s WALL ( 4352 calls) cegterg:last : 1.98s CPU 1.99s WALL ( 1074 calls) cdiaghg:chol : 1.20s CPU 1.28s WALL ( 4710 calls) cdiaghg:inve : 0.70s CPU 0.67s WALL ( 4710 calls) cdiaghg:para : 1.46s CPU 1.32s WALL ( 9420 calls) Called by h_psi: h_psi:vloc : 42.44s CPU 43.65s WALL ( 5068 calls) h_psi:vnl : 4.17s CPU 4.27s WALL ( 5068 calls) add_vuspsi : 1.81s CPU 1.71s WALL ( 5068 calls) General routines calbec : 2.36s CPU 2.55s WALL ( 5068 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 39.33s CPU 40.39s WALL ( 563576 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.23s WALL ( 716 calls) Parallel routines fft_scatter : 15.52s CPU 16.26s WALL ( 563599 calls) PWSCF : 1m37.65s CPU 2m 1.06s WALL This run was terminated on: 17:34:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=