Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:31 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: ./C.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 31 15 4 1272 445 74 Max 33 16 5 1281 470 79 Sum 1121 569 175 45981 16423 2795 bravais-lattice index = 14 lattice parameter (alat) = 6.6183 a.u. unit-cell volume = 461.3760 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 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)= 6.618294 celldm(2)= 1.000000 celldm(3)= 1.608965 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.146786 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.146786 0.989168 0.000000 ) a(3) = ( 0.000000 0.000000 1.608965 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.148394 -0.000000 ) b(2) = ( 0.000000 1.010950 -0.000000 ) b(3) = ( 0.000000 0.000000 0.621517 ) PseudoPot. # 1 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 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 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.4266068 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4945841 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5733932 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4945841 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 462 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 2) = ( 0.0072667 0.0084246 -0.0000000), wk = 0.0021645 k( 3) = ( 0.0145334 0.0168492 -0.0000000), wk = 0.0021645 k( 4) = ( 0.0218001 0.0252738 -0.0000000), wk = 0.0021645 k( 5) = ( 0.0290667 0.0336983 -0.0000000), wk = 0.0021645 k( 6) = ( 0.0363334 0.0421229 -0.0000000), wk = 0.0021645 k( 7) = ( 0.0436001 0.0505475 -0.0000000), wk = 0.0021645 k( 8) = ( 0.0508668 0.0589721 -0.0000000), wk = 0.0021645 k( 9) = ( 0.0581335 0.0673967 -0.0000000), wk = 0.0021645 k( 10) = ( 0.0654001 0.0758213 -0.0000000), wk = 0.0021645 k( 11) = ( 0.0726668 0.0842459 -0.0000000), wk = 0.0021645 k( 12) = ( 0.0799335 0.0926705 -0.0000000), wk = 0.0021645 k( 13) = ( 0.0872002 0.1010950 -0.0000000), wk = 0.0021645 k( 14) = ( 0.0944669 0.1095196 -0.0000000), wk = 0.0021645 k( 15) = ( 0.1017336 0.1179442 -0.0000000), wk = 0.0021645 k( 16) = ( 0.1090002 0.1263688 -0.0000000), wk = 0.0021645 k( 17) = ( 0.1162669 0.1347934 -0.0000000), wk = 0.0021645 k( 18) = ( 0.1235336 0.1432180 -0.0000000), wk = 0.0021645 k( 19) = ( 0.1308003 0.1516426 -0.0000000), wk = 0.0021645 k( 20) = ( 0.1380670 0.1600671 -0.0000000), wk = 0.0021645 k( 21) = ( 0.1453337 0.1684917 -0.0000000), wk = 0.0021645 k( 22) = ( 0.1526003 0.1769163 -0.0000000), wk = 0.0021645 k( 23) = ( 0.1598670 0.1853409 -0.0000000), wk = 0.0021645 k( 24) = ( 0.1671337 0.1937655 -0.0000000), wk = 0.0021645 k( 25) = ( 0.1744004 0.2021901 -0.0000000), wk = 0.0021645 k( 26) = ( 0.1816671 0.2106147 -0.0000000), wk = 0.0021645 k( 27) = ( 0.1889338 0.2190393 -0.0000000), wk = 0.0021645 k( 28) = ( 0.1962004 0.2274638 -0.0000000), wk = 0.0021645 k( 29) = ( 0.2034671 0.2358884 -0.0000000), wk = 0.0021645 k( 30) = ( 0.2107338 0.2443130 -0.0000000), wk = 0.0021645 k( 31) = ( 0.2180005 0.2527376 -0.0000000), wk = 0.0021645 k( 32) = ( 0.2252672 0.2611622 -0.0000000), wk = 0.0021645 k( 33) = ( 0.2325338 0.2695868 -0.0000000), wk = 0.0021645 k( 34) = ( 0.2398005 0.2780114 -0.0000000), wk = 0.0021645 k( 35) = ( 0.2470672 0.2864360 -0.0000000), wk = 0.0021645 k( 36) = ( 0.2543339 0.2948605 -0.0000000), wk = 0.0021645 k( 37) = ( 0.2616006 0.3032851 -0.0000000), wk = 0.0021645 k( 38) = ( 0.2688673 0.3117097 -0.0000000), wk = 0.0021645 k( 39) = ( 0.2761339 0.3201343 -0.0000000), wk = 0.0021645 k( 40) = ( 0.2834006 0.3285589 -0.0000000), wk = 0.0021645 k( 41) = ( 0.2906673 0.3369835 -0.0000000), wk = 0.0021645 k( 42) = ( 0.2979340 0.3454081 -0.0000000), wk = 0.0021645 k( 43) = ( 0.3052007 0.3538326 -0.0000000), wk = 0.0021645 k( 44) = ( 0.3124673 0.3622572 -0.0000000), wk = 0.0021645 k( 45) = ( 0.3197340 0.3706818 -0.0000000), wk = 0.0021645 k( 46) = ( 0.3270007 0.3791064 -0.0000000), wk = 0.0021645 k( 47) = ( 0.3342674 0.3875310 -0.0000000), wk = 0.0021645 k( 48) = ( 0.3415341 0.3959556 -0.0000000), wk = 0.0021645 k( 49) = ( 0.3488008 0.4043802 -0.0000000), wk = 0.0021645 k( 50) = ( 0.3560675 0.4128048 -0.0000000), wk = 0.0021645 k( 51) = ( 0.3633341 0.4212293 -0.0000000), wk = 0.0021645 k( 52) = ( 0.3706008 0.4296539 -0.0000000), wk = 0.0021645 k( 53) = ( 0.3778675 0.4380785 -0.0000000), wk = 0.0021645 k( 54) = ( 0.3851342 0.4465031 -0.0000000), wk = 0.0021645 k( 55) = ( 0.3924009 0.4549277 -0.0000000), wk = 0.0021645 k( 56) = ( 0.3996675 0.4633523 -0.0000000), wk = 0.0021645 k( 57) = ( 0.4069342 0.4717769 -0.0000000), wk = 0.0021645 k( 58) = ( 0.4142009 0.4802014 -0.0000000), wk = 0.0021645 k( 59) = ( 0.4214676 0.4886260 -0.0000000), wk = 0.0021645 k( 60) = ( 0.4287343 0.4970506 -0.0000000), wk = 0.0021645 k( 61) = ( 0.4360010 0.5054752 -0.0000000), wk = 0.0021645 k( 62) = ( 0.4360010 0.5054752 -0.0000000), wk = 0.0021645 k( 63) = ( 0.4251009 0.5054752 -0.0000000), wk = 0.0021645 k( 64) = ( 0.4142009 0.5054752 -0.0000000), wk = 0.0021645 k( 65) = ( 0.4033009 0.5054752 -0.0000000), wk = 0.0021645 k( 66) = ( 0.3924009 0.5054752 -0.0000000), wk = 0.0021645 k( 67) = ( 0.3815008 0.5054752 -0.0000000), wk = 0.0021645 k( 68) = ( 0.3706008 0.5054752 -0.0000000), wk = 0.0021645 k( 69) = ( 0.3597008 0.5054752 -0.0000000), wk = 0.0021645 k( 70) = ( 0.3488008 0.5054752 -0.0000000), wk = 0.0021645 k( 71) = ( 0.3379007 0.5054752 -0.0000000), wk = 0.0021645 k( 72) = ( 0.3270007 0.5054752 -0.0000000), wk = 0.0021645 k( 73) = ( 0.3161007 0.5054752 -0.0000000), wk = 0.0021645 k( 74) = ( 0.3052007 0.5054752 -0.0000000), wk = 0.0021645 k( 75) = ( 0.2943006 0.5054752 -0.0000000), wk = 0.0021645 k( 76) = ( 0.2834006 0.5054752 -0.0000000), wk = 0.0021645 k( 77) = ( 0.2725006 0.5054752 -0.0000000), wk = 0.0021645 k( 78) = ( 0.2616006 0.5054752 -0.0000000), wk = 0.0021645 k( 79) = ( 0.2507006 0.5054752 -0.0000000), wk = 0.0021645 k( 80) = ( 0.2398005 0.5054752 -0.0000000), wk = 0.0021645 k( 81) = ( 0.2289005 0.5054752 -0.0000000), wk = 0.0021645 k( 82) = ( 0.2180005 0.5054752 -0.0000000), wk = 0.0021645 k( 83) = ( 0.2071004 0.5054752 -0.0000000), wk = 0.0021645 k( 84) = ( 0.1962004 0.5054752 -0.0000000), wk = 0.0021645 k( 85) = ( 0.1853004 0.5054752 -0.0000000), wk = 0.0021645 k( 86) = ( 0.1744004 0.5054752 -0.0000000), wk = 0.0021645 k( 87) = ( 0.1635004 0.5054752 -0.0000000), wk = 0.0021645 k( 88) = ( 0.1526003 0.5054752 -0.0000000), wk = 0.0021645 k( 89) = ( 0.1417003 0.5054752 -0.0000000), wk = 0.0021645 k( 90) = ( 0.1308003 0.5054752 -0.0000000), wk = 0.0021645 k( 91) = ( 0.1199003 0.5054752 -0.0000000), wk = 0.0021645 k( 92) = ( 0.1090002 0.5054752 -0.0000000), wk = 0.0021645 k( 93) = ( 0.0981002 0.5054752 -0.0000000), wk = 0.0021645 k( 94) = ( 0.0872002 0.5054752 -0.0000000), wk = 0.0021645 k( 95) = ( 0.0763002 0.5054752 -0.0000000), wk = 0.0021645 k( 96) = ( 0.0654001 0.5054752 -0.0000000), wk = 0.0021645 k( 97) = ( 0.0545001 0.5054752 -0.0000000), wk = 0.0021645 k( 98) = ( 0.0436001 0.5054752 -0.0000000), wk = 0.0021645 k( 99) = ( 0.0327001 0.5054752 -0.0000000), wk = 0.0021645 k( 100) = ( 0.0218001 0.5054752 -0.0000000), wk = 0.0021645 k( 101) = ( 0.0109000 0.5054752 -0.0000000), wk = 0.0021645 k( 102) = ( 0.0000000 0.5054752 -0.0000000), wk = 0.0021645 k( 103) = ( 0.0000000 0.5054752 -0.0000000), wk = 0.0021645 k( 104) = ( 0.0000000 0.5054752 0.0110985), wk = 0.0021645 k( 105) = ( 0.0000000 0.5054752 0.0221971), wk = 0.0021645 k( 106) = ( 0.0000000 0.5054752 0.0332956), wk = 0.0021645 k( 107) = ( 0.0000000 0.5054752 0.0443941), wk = 0.0021645 k( 108) = ( 0.0000000 0.5054752 0.0554926), wk = 0.0021645 k( 109) = ( 0.0000000 0.5054752 0.0665912), wk = 0.0021645 k( 110) = ( 0.0000000 0.5054752 0.0776897), wk = 0.0021645 k( 111) = ( 0.0000000 0.5054752 0.0887882), wk = 0.0021645 k( 112) = ( 0.0000000 0.5054752 0.0998867), wk = 0.0021645 k( 113) = ( 0.0000000 0.5054752 0.1109853), wk = 0.0021645 k( 114) = ( 0.0000000 0.5054752 0.1220838), wk = 0.0021645 k( 115) = ( 0.0000000 0.5054752 0.1331823), wk = 0.0021645 k( 116) = ( 0.0000000 0.5054752 0.1442808), wk = 0.0021645 k( 117) = ( 0.0000000 0.5054752 0.1553794), wk = 0.0021645 k( 118) = ( 0.0000000 0.5054752 0.1664779), wk = 0.0021645 k( 119) = ( 0.0000000 0.5054752 0.1775764), wk = 0.0021645 k( 120) = ( 0.0000000 0.5054752 0.1886749), wk = 0.0021645 k( 121) = ( 0.0000000 0.5054752 0.1997735), wk = 0.0021645 k( 122) = ( 0.0000000 0.5054752 0.2108720), wk = 0.0021645 k( 123) = ( 0.0000000 0.5054752 0.2219705), wk = 0.0021645 k( 124) = ( 0.0000000 0.5054752 0.2330690), wk = 0.0021645 k( 125) = ( 0.0000000 0.5054752 0.2441676), wk = 0.0021645 k( 126) = ( 0.0000000 0.5054752 0.2552661), wk = 0.0021645 k( 127) = ( 0.0000000 0.5054752 0.2663646), wk = 0.0021645 k( 128) = ( 0.0000000 0.5054752 0.2774631), wk = 0.0021645 k( 129) = ( 0.0000000 0.5054752 0.2885617), wk = 0.0021645 k( 130) = ( 0.0000000 0.5054752 0.2996602), wk = 0.0021645 k( 131) = ( 0.0000000 0.5054752 0.3107587), wk = 0.0021645 k( 132) = ( 0.0000000 0.5054752 0.3107587), wk = 0.0021645 k( 133) = ( 0.0109000 0.5054752 0.3107587), wk = 0.0021645 k( 134) = ( 0.0218001 0.5054752 0.3107587), wk = 0.0021645 k( 135) = ( 0.0327001 0.5054752 0.3107587), wk = 0.0021645 k( 136) = ( 0.0436001 0.5054752 0.3107587), wk = 0.0021645 k( 137) = ( 0.0545001 0.5054752 0.3107587), wk = 0.0021645 k( 138) = ( 0.0654001 0.5054752 0.3107587), wk = 0.0021645 k( 139) = ( 0.0763002 0.5054752 0.3107587), wk = 0.0021645 k( 140) = ( 0.0872002 0.5054752 0.3107587), wk = 0.0021645 k( 141) = ( 0.0981002 0.5054752 0.3107587), wk = 0.0021645 k( 142) = ( 0.1090002 0.5054752 0.3107587), wk = 0.0021645 k( 143) = ( 0.1199003 0.5054752 0.3107587), wk = 0.0021645 k( 144) = ( 0.1308003 0.5054752 0.3107587), wk = 0.0021645 k( 145) = ( 0.1417003 0.5054752 0.3107587), wk = 0.0021645 k( 146) = ( 0.1526003 0.5054752 0.3107587), wk = 0.0021645 k( 147) = ( 0.1635004 0.5054752 0.3107587), wk = 0.0021645 k( 148) = ( 0.1744004 0.5054752 0.3107587), wk = 0.0021645 k( 149) = ( 0.1853004 0.5054752 0.3107587), wk = 0.0021645 k( 150) = ( 0.1962004 0.5054752 0.3107587), wk = 0.0021645 k( 151) = ( 0.2071004 0.5054752 0.3107587), wk = 0.0021645 k( 152) = ( 0.2180005 0.5054752 0.3107587), wk = 0.0021645 k( 153) = ( 0.2289005 0.5054752 0.3107587), wk = 0.0021645 k( 154) = ( 0.2398005 0.5054752 0.3107587), wk = 0.0021645 k( 155) = ( 0.2507006 0.5054752 0.3107587), wk = 0.0021645 k( 156) = ( 0.2616006 0.5054752 0.3107587), wk = 0.0021645 k( 157) = ( 0.2725006 0.5054752 0.3107587), wk = 0.0021645 k( 158) = ( 0.2834006 0.5054752 0.3107587), wk = 0.0021645 k( 159) = ( 0.2943006 0.5054752 0.3107587), wk = 0.0021645 k( 160) = ( 0.3052007 0.5054752 0.3107587), wk = 0.0021645 k( 161) = ( 0.3161007 0.5054752 0.3107587), wk = 0.0021645 k( 162) = ( 0.3270007 0.5054752 0.3107587), wk = 0.0021645 k( 163) = ( 0.3379007 0.5054752 0.3107587), wk = 0.0021645 k( 164) = ( 0.3488008 0.5054752 0.3107587), wk = 0.0021645 k( 165) = ( 0.3597008 0.5054752 0.3107587), wk = 0.0021645 k( 166) = ( 0.3706008 0.5054752 0.3107587), wk = 0.0021645 k( 167) = ( 0.3815008 0.5054752 0.3107587), wk = 0.0021645 k( 168) = ( 0.3924009 0.5054752 0.3107587), wk = 0.0021645 k( 169) = ( 0.4033009 0.5054752 0.3107587), wk = 0.0021645 k( 170) = ( 0.4142009 0.5054752 0.3107587), wk = 0.0021645 k( 171) = ( 0.4251009 0.5054752 0.3107587), wk = 0.0021645 k( 172) = ( 0.4360010 0.5054752 0.3107587), wk = 0.0021645 k( 173) = ( 0.4360010 0.5054752 0.3107587), wk = 0.0021645 k( 174) = ( 0.4287343 0.4970506 0.3107587), wk = 0.0021645 k( 175) = ( 0.4214676 0.4886260 0.3107587), wk = 0.0021645 k( 176) = ( 0.4142009 0.4802014 0.3107587), wk = 0.0021645 k( 177) = ( 0.4069342 0.4717769 0.3107587), wk = 0.0021645 k( 178) = ( 0.3996675 0.4633523 0.3107587), wk = 0.0021645 k( 179) = ( 0.3924009 0.4549277 0.3107587), wk = 0.0021645 k( 180) = ( 0.3851342 0.4465031 0.3107587), wk = 0.0021645 k( 181) = ( 0.3778675 0.4380785 0.3107587), wk = 0.0021645 k( 182) = ( 0.3706008 0.4296539 0.3107587), wk = 0.0021645 k( 183) = ( 0.3633341 0.4212293 0.3107587), wk = 0.0021645 k( 184) = ( 0.3560675 0.4128048 0.3107587), wk = 0.0021645 k( 185) = ( 0.3488008 0.4043802 0.3107587), wk = 0.0021645 k( 186) = ( 0.3415341 0.3959556 0.3107587), wk = 0.0021645 k( 187) = ( 0.3342674 0.3875310 0.3107587), wk = 0.0021645 k( 188) = ( 0.3270007 0.3791064 0.3107587), wk = 0.0021645 k( 189) = ( 0.3197340 0.3706818 0.3107587), wk = 0.0021645 k( 190) = ( 0.3124673 0.3622572 0.3107587), wk = 0.0021645 k( 191) = ( 0.3052007 0.3538326 0.3107587), wk = 0.0021645 k( 192) = ( 0.2979340 0.3454081 0.3107587), wk = 0.0021645 k( 193) = ( 0.2906673 0.3369835 0.3107587), wk = 0.0021645 k( 194) = ( 0.2834006 0.3285589 0.3107587), wk = 0.0021645 k( 195) = ( 0.2761339 0.3201343 0.3107587), wk = 0.0021645 k( 196) = ( 0.2688673 0.3117097 0.3107587), wk = 0.0021645 k( 197) = ( 0.2616006 0.3032851 0.3107587), wk = 0.0021645 k( 198) = ( 0.2543339 0.2948605 0.3107587), wk = 0.0021645 k( 199) = ( 0.2470672 0.2864360 0.3107587), wk = 0.0021645 k( 200) = ( 0.2398005 0.2780114 0.3107587), wk = 0.0021645 k( 201) = ( 0.2325338 0.2695868 0.3107587), wk = 0.0021645 k( 202) = ( 0.2252672 0.2611622 0.3107587), wk = 0.0021645 k( 203) = ( 0.2180005 0.2527376 0.3107587), wk = 0.0021645 k( 204) = ( 0.2107338 0.2443130 0.3107587), wk = 0.0021645 k( 205) = ( 0.2034671 0.2358884 0.3107587), wk = 0.0021645 k( 206) = ( 0.1962004 0.2274638 0.3107587), wk = 0.0021645 k( 207) = ( 0.1889338 0.2190393 0.3107587), wk = 0.0021645 k( 208) = ( 0.1816671 0.2106147 0.3107587), wk = 0.0021645 k( 209) = ( 0.1744004 0.2021901 0.3107587), wk = 0.0021645 k( 210) = ( 0.1671337 0.1937655 0.3107587), wk = 0.0021645 k( 211) = ( 0.1598670 0.1853409 0.3107587), wk = 0.0021645 k( 212) = ( 0.1526003 0.1769163 0.3107587), wk = 0.0021645 k( 213) = ( 0.1453337 0.1684917 0.3107587), wk = 0.0021645 k( 214) = ( 0.1380670 0.1600671 0.3107587), wk = 0.0021645 k( 215) = ( 0.1308003 0.1516426 0.3107587), wk = 0.0021645 k( 216) = ( 0.1235336 0.1432180 0.3107587), wk = 0.0021645 k( 217) = ( 0.1162669 0.1347934 0.3107587), wk = 0.0021645 k( 218) = ( 0.1090002 0.1263688 0.3107587), wk = 0.0021645 k( 219) = ( 0.1017336 0.1179442 0.3107587), wk = 0.0021645 k( 220) = ( 0.0944669 0.1095196 0.3107587), wk = 0.0021645 k( 221) = ( 0.0872002 0.1010950 0.3107587), wk = 0.0021645 k( 222) = ( 0.0799335 0.0926705 0.3107587), wk = 0.0021645 k( 223) = ( 0.0726668 0.0842459 0.3107587), wk = 0.0021645 k( 224) = ( 0.0654001 0.0758213 0.3107587), wk = 0.0021645 k( 225) = ( 0.0581335 0.0673967 0.3107587), wk = 0.0021645 k( 226) = ( 0.0508668 0.0589721 0.3107587), wk = 0.0021645 k( 227) = ( 0.0436001 0.0505475 0.3107587), wk = 0.0021645 k( 228) = ( 0.0363334 0.0421229 0.3107587), wk = 0.0021645 k( 229) = ( 0.0290667 0.0336983 0.3107587), wk = 0.0021645 k( 230) = ( 0.0218001 0.0252738 0.3107587), wk = 0.0021645 k( 231) = ( 0.0145334 0.0168492 0.3107587), wk = 0.0021645 k( 232) = ( 0.0072667 0.0084246 0.3107587), wk = 0.0021645 k( 233) = ( 0.0000000 0.0000000 0.3107587), wk = 0.0021645 k( 234) = ( 0.0000000 0.0000000 0.3107587), wk = 0.0021645 k( 235) = ( 0.0000000 0.0000000 0.2996602), wk = 0.0021645 k( 236) = ( 0.0000000 0.0000000 0.2885617), wk = 0.0021645 k( 237) = ( 0.0000000 0.0000000 0.2774631), wk = 0.0021645 k( 238) = ( 0.0000000 0.0000000 0.2663646), wk = 0.0021645 k( 239) = ( 0.0000000 0.0000000 0.2552661), wk = 0.0021645 k( 240) = ( 0.0000000 0.0000000 0.2441676), wk = 0.0021645 k( 241) = ( 0.0000000 0.0000000 0.2330690), wk = 0.0021645 k( 242) = ( 0.0000000 0.0000000 0.2219705), wk = 0.0021645 k( 243) = ( 0.0000000 0.0000000 0.2108720), wk = 0.0021645 k( 244) = ( 0.0000000 0.0000000 0.1997735), wk = 0.0021645 k( 245) = ( 0.0000000 0.0000000 0.1886749), wk = 0.0021645 k( 246) = ( 0.0000000 0.0000000 0.1775764), wk = 0.0021645 k( 247) = ( 0.0000000 0.0000000 0.1664779), wk = 0.0021645 k( 248) = ( 0.0000000 0.0000000 0.1553794), wk = 0.0021645 k( 249) = ( 0.0000000 0.0000000 0.1442808), wk = 0.0021645 k( 250) = ( 0.0000000 0.0000000 0.1331823), wk = 0.0021645 k( 251) = ( 0.0000000 0.0000000 0.1220838), wk = 0.0021645 k( 252) = ( 0.0000000 0.0000000 0.1109853), wk = 0.0021645 k( 253) = ( 0.0000000 0.0000000 0.0998867), wk = 0.0021645 k( 254) = ( 0.0000000 0.0000000 0.0887882), wk = 0.0021645 k( 255) = ( 0.0000000 0.0000000 0.0776897), wk = 0.0021645 k( 256) = ( 0.0000000 0.0000000 0.0665912), wk = 0.0021645 k( 257) = ( 0.0000000 0.0000000 0.0554926), wk = 0.0021645 k( 258) = ( 0.0000000 0.0000000 0.0443941), wk = 0.0021645 k( 259) = ( 0.0000000 0.0000000 0.0332956), wk = 0.0021645 k( 260) = ( 0.0000000 0.0000000 0.0221971), wk = 0.0021645 k( 261) = ( 0.0000000 0.0000000 0.0110985), wk = 0.0021645 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 264) = ( -0.0083333 0.0071880 0.0000000), wk = 0.0021645 k( 265) = ( -0.0166667 0.0143759 0.0000000), wk = 0.0021645 k( 266) = ( -0.0250000 0.0215639 0.0000000), wk = 0.0021645 k( 267) = ( -0.0333333 0.0287519 0.0000000), wk = 0.0021645 k( 268) = ( -0.0416667 0.0359399 0.0000000), wk = 0.0021645 k( 269) = ( -0.0500000 0.0431278 0.0000000), wk = 0.0021645 k( 270) = ( -0.0583333 0.0503158 0.0000000), wk = 0.0021645 k( 271) = ( -0.0666667 0.0575038 0.0000000), wk = 0.0021645 k( 272) = ( -0.0750000 0.0646917 0.0000000), wk = 0.0021645 k( 273) = ( -0.0833333 0.0718797 0.0000000), wk = 0.0021645 k( 274) = ( -0.0916667 0.0790677 0.0000000), wk = 0.0021645 k( 275) = ( -0.1000000 0.0862557 0.0000000), wk = 0.0021645 k( 276) = ( -0.1083333 0.0934436 0.0000000), wk = 0.0021645 k( 277) = ( -0.1166667 0.1006316 0.0000000), wk = 0.0021645 k( 278) = ( -0.1250000 0.1078196 0.0000000), wk = 0.0021645 k( 279) = ( -0.1333333 0.1150075 0.0000000), wk = 0.0021645 k( 280) = ( -0.1416667 0.1221955 0.0000000), wk = 0.0021645 k( 281) = ( -0.1500000 0.1293835 0.0000000), wk = 0.0021645 k( 282) = ( -0.1583333 0.1365715 0.0000000), wk = 0.0021645 k( 283) = ( -0.1666667 0.1437594 0.0000000), wk = 0.0021645 k( 284) = ( -0.1750000 0.1509474 0.0000000), wk = 0.0021645 k( 285) = ( -0.1833333 0.1581354 0.0000000), wk = 0.0021645 k( 286) = ( -0.1916667 0.1653233 0.0000000), wk = 0.0021645 k( 287) = ( -0.2000000 0.1725113 0.0000000), wk = 0.0021645 k( 288) = ( -0.2083333 0.1796993 0.0000000), wk = 0.0021645 k( 289) = ( -0.2166667 0.1868873 0.0000000), wk = 0.0021645 k( 290) = ( -0.2250000 0.1940752 0.0000000), wk = 0.0021645 k( 291) = ( -0.2333333 0.2012632 0.0000000), wk = 0.0021645 k( 292) = ( -0.2416667 0.2084512 0.0000000), wk = 0.0021645 k( 293) = ( -0.2500000 0.2156391 0.0000000), wk = 0.0021645 k( 294) = ( -0.2583333 0.2228271 0.0000000), wk = 0.0021645 k( 295) = ( -0.2666667 0.2300151 0.0000000), wk = 0.0021645 k( 296) = ( -0.2750000 0.2372031 0.0000000), wk = 0.0021645 k( 297) = ( -0.2833333 0.2443910 0.0000000), wk = 0.0021645 k( 298) = ( -0.2916667 0.2515790 0.0000000), wk = 0.0021645 k( 299) = ( -0.3000000 0.2587670 0.0000000), wk = 0.0021645 k( 300) = ( -0.3083333 0.2659549 0.0000000), wk = 0.0021645 k( 301) = ( -0.3166667 0.2731429 0.0000000), wk = 0.0021645 k( 302) = ( -0.3250000 0.2803309 0.0000000), wk = 0.0021645 k( 303) = ( -0.3333333 0.2875189 0.0000000), wk = 0.0021645 k( 304) = ( -0.3416667 0.2947068 0.0000000), wk = 0.0021645 k( 305) = ( -0.3500000 0.3018948 0.0000000), wk = 0.0021645 k( 306) = ( -0.3583333 0.3090828 0.0000000), wk = 0.0021645 k( 307) = ( -0.3666667 0.3162707 0.0000000), wk = 0.0021645 k( 308) = ( -0.3750000 0.3234587 0.0000000), wk = 0.0021645 k( 309) = ( -0.3833333 0.3306467 0.0000000), wk = 0.0021645 k( 310) = ( -0.3916667 0.3378347 0.0000000), wk = 0.0021645 k( 311) = ( -0.4000000 0.3450226 0.0000000), wk = 0.0021645 k( 312) = ( -0.4083333 0.3522106 0.0000000), wk = 0.0021645 k( 313) = ( -0.4166667 0.3593986 0.0000000), wk = 0.0021645 k( 314) = ( -0.4250000 0.3665865 0.0000000), wk = 0.0021645 k( 315) = ( -0.4333333 0.3737745 0.0000000), wk = 0.0021645 k( 316) = ( -0.4416667 0.3809625 0.0000000), wk = 0.0021645 k( 317) = ( -0.4500000 0.3881505 0.0000000), wk = 0.0021645 k( 318) = ( -0.4583333 0.3953384 0.0000000), wk = 0.0021645 k( 319) = ( -0.4666667 0.4025264 0.0000000), wk = 0.0021645 k( 320) = ( -0.4750000 0.4097144 0.0000000), wk = 0.0021645 k( 321) = ( -0.4833333 0.4169023 0.0000000), wk = 0.0021645 k( 322) = ( -0.4916667 0.4240903 0.0000000), wk = 0.0021645 k( 323) = ( -0.5000000 0.4312783 0.0000000), wk = 0.0021645 k( 324) = ( -0.5000000 0.4312783 0.0000000), wk = 0.0021645 k( 325) = ( -0.4928890 0.4395224 -0.0000000), wk = 0.0021645 k( 326) = ( -0.4857780 0.4477665 -0.0000000), wk = 0.0021645 k( 327) = ( -0.4786670 0.4560106 -0.0000000), wk = 0.0021645 k( 328) = ( -0.4715560 0.4642547 -0.0000000), wk = 0.0021645 k( 329) = ( -0.4644450 0.4724988 -0.0000000), wk = 0.0021645 k( 330) = ( -0.4573340 0.4807429 -0.0000000), wk = 0.0021645 k( 331) = ( -0.4502230 0.4889870 -0.0000000), wk = 0.0021645 k( 332) = ( -0.4431120 0.4972311 -0.0000000), wk = 0.0021645 k( 333) = ( -0.4360010 0.5054752 -0.0000000), wk = 0.0021645 k( 334) = ( -0.4360010 0.5054752 -0.0000000), wk = 0.0021645 k( 335) = ( -0.4360010 0.5054752 0.0110985), wk = 0.0021645 k( 336) = ( -0.4360010 0.5054752 0.0221971), wk = 0.0021645 k( 337) = ( -0.4360010 0.5054752 0.0332956), wk = 0.0021645 k( 338) = ( -0.4360010 0.5054752 0.0443941), wk = 0.0021645 k( 339) = ( -0.4360010 0.5054752 0.0554926), wk = 0.0021645 k( 340) = ( -0.4360010 0.5054752 0.0665912), wk = 0.0021645 k( 341) = ( -0.4360010 0.5054752 0.0776897), wk = 0.0021645 k( 342) = ( -0.4360010 0.5054752 0.0887882), wk = 0.0021645 k( 343) = ( -0.4360010 0.5054752 0.0998867), wk = 0.0021645 k( 344) = ( -0.4360010 0.5054752 0.1109853), wk = 0.0021645 k( 345) = ( -0.4360010 0.5054752 0.1220838), wk = 0.0021645 k( 346) = ( -0.4360010 0.5054752 0.1331823), wk = 0.0021645 k( 347) = ( -0.4360010 0.5054752 0.1442808), wk = 0.0021645 k( 348) = ( -0.4360010 0.5054752 0.1553794), wk = 0.0021645 k( 349) = ( -0.4360010 0.5054752 0.1664779), wk = 0.0021645 k( 350) = ( -0.4360010 0.5054752 0.1775764), wk = 0.0021645 k( 351) = ( -0.4360010 0.5054752 0.1886749), wk = 0.0021645 k( 352) = ( -0.4360010 0.5054752 0.1997735), wk = 0.0021645 k( 353) = ( -0.4360010 0.5054752 0.2108720), wk = 0.0021645 k( 354) = ( -0.4360010 0.5054752 0.2219705), wk = 0.0021645 k( 355) = ( -0.4360010 0.5054752 0.2330690), wk = 0.0021645 k( 356) = ( -0.4360010 0.5054752 0.2441676), wk = 0.0021645 k( 357) = ( -0.4360010 0.5054752 0.2552661), wk = 0.0021645 k( 358) = ( -0.4360010 0.5054752 0.2663646), wk = 0.0021645 k( 359) = ( -0.4360010 0.5054752 0.2774631), wk = 0.0021645 k( 360) = ( -0.4360010 0.5054752 0.2885617), wk = 0.0021645 k( 361) = ( -0.4360010 0.5054752 0.2996602), wk = 0.0021645 k( 362) = ( -0.4360010 0.5054752 0.3107587), wk = 0.0021645 k( 363) = ( -0.4360010 0.5054752 0.3107587), wk = 0.0021645 k( 364) = ( -0.4431120 0.4972311 0.3107587), wk = 0.0021645 k( 365) = ( -0.4502230 0.4889870 0.3107587), wk = 0.0021645 k( 366) = ( -0.4573340 0.4807429 0.3107587), wk = 0.0021645 k( 367) = ( -0.4644450 0.4724988 0.3107587), wk = 0.0021645 k( 368) = ( -0.4715560 0.4642547 0.3107587), wk = 0.0021645 k( 369) = ( -0.4786670 0.4560106 0.3107587), wk = 0.0021645 k( 370) = ( -0.4857780 0.4477665 0.3107587), wk = 0.0021645 k( 371) = ( -0.4928890 0.4395224 0.3107587), wk = 0.0021645 k( 372) = ( -0.5000000 0.4312783 0.3107587), wk = 0.0021645 k( 373) = ( -0.5000000 0.4312783 0.3107587), wk = 0.0021645 k( 374) = ( -0.5000000 0.4312783 0.2996602), wk = 0.0021645 k( 375) = ( -0.5000000 0.4312783 0.2885617), wk = 0.0021645 k( 376) = ( -0.5000000 0.4312783 0.2774631), wk = 0.0021645 k( 377) = ( -0.5000000 0.4312783 0.2663646), wk = 0.0021645 k( 378) = ( -0.5000000 0.4312783 0.2552661), wk = 0.0021645 k( 379) = ( -0.5000000 0.4312783 0.2441676), wk = 0.0021645 k( 380) = ( -0.5000000 0.4312783 0.2330690), wk = 0.0021645 k( 381) = ( -0.5000000 0.4312783 0.2219705), wk = 0.0021645 k( 382) = ( -0.5000000 0.4312783 0.2108720), wk = 0.0021645 k( 383) = ( -0.5000000 0.4312783 0.1997735), wk = 0.0021645 k( 384) = ( -0.5000000 0.4312783 0.1886749), wk = 0.0021645 k( 385) = ( -0.5000000 0.4312783 0.1775764), wk = 0.0021645 k( 386) = ( -0.5000000 0.4312783 0.1664779), wk = 0.0021645 k( 387) = ( -0.5000000 0.4312783 0.1553794), wk = 0.0021645 k( 388) = ( -0.5000000 0.4312783 0.1442808), wk = 0.0021645 k( 389) = ( -0.5000000 0.4312783 0.1331823), wk = 0.0021645 k( 390) = ( -0.5000000 0.4312783 0.1220838), wk = 0.0021645 k( 391) = ( -0.5000000 0.4312783 0.1109853), wk = 0.0021645 k( 392) = ( -0.5000000 0.4312783 0.0998867), wk = 0.0021645 k( 393) = ( -0.5000000 0.4312783 0.0887882), wk = 0.0021645 k( 394) = ( -0.5000000 0.4312783 0.0776897), wk = 0.0021645 k( 395) = ( -0.5000000 0.4312783 0.0665912), wk = 0.0021645 k( 396) = ( -0.5000000 0.4312783 0.0554926), wk = 0.0021645 k( 397) = ( -0.5000000 0.4312783 0.0443941), wk = 0.0021645 k( 398) = ( -0.5000000 0.4312783 0.0332956), wk = 0.0021645 k( 399) = ( -0.5000000 0.4312783 0.0221971), wk = 0.0021645 k( 400) = ( -0.5000000 0.4312783 0.0110985), wk = 0.0021645 k( 401) = ( -0.5000000 0.4312783 0.0000000), wk = 0.0021645 k( 402) = ( 0.0000000 0.0000000 0.3107587), wk = 0.0021645 k( 403) = ( -0.0083333 0.0071880 0.3107587), wk = 0.0021645 k( 404) = ( -0.0166667 0.0143759 0.3107587), wk = 0.0021645 k( 405) = ( -0.0250000 0.0215639 0.3107587), wk = 0.0021645 k( 406) = ( -0.0333333 0.0287519 0.3107587), wk = 0.0021645 k( 407) = ( -0.0416667 0.0359399 0.3107587), wk = 0.0021645 k( 408) = ( -0.0500000 0.0431278 0.3107587), wk = 0.0021645 k( 409) = ( -0.0583333 0.0503158 0.3107587), wk = 0.0021645 k( 410) = ( -0.0666667 0.0575038 0.3107587), wk = 0.0021645 k( 411) = ( -0.0750000 0.0646917 0.3107587), wk = 0.0021645 k( 412) = ( -0.0833333 0.0718797 0.3107587), wk = 0.0021645 k( 413) = ( -0.0916667 0.0790677 0.3107587), wk = 0.0021645 k( 414) = ( -0.1000000 0.0862557 0.3107587), wk = 0.0021645 k( 415) = ( -0.1083333 0.0934436 0.3107587), wk = 0.0021645 k( 416) = ( -0.1166667 0.1006316 0.3107587), wk = 0.0021645 k( 417) = ( -0.1250000 0.1078196 0.3107587), wk = 0.0021645 k( 418) = ( -0.1333333 0.1150075 0.3107587), wk = 0.0021645 k( 419) = ( -0.1416667 0.1221955 0.3107587), wk = 0.0021645 k( 420) = ( -0.1500000 0.1293835 0.3107587), wk = 0.0021645 k( 421) = ( -0.1583333 0.1365715 0.3107587), wk = 0.0021645 k( 422) = ( -0.1666667 0.1437594 0.3107587), wk = 0.0021645 k( 423) = ( -0.1750000 0.1509474 0.3107587), wk = 0.0021645 k( 424) = ( -0.1833333 0.1581354 0.3107587), wk = 0.0021645 k( 425) = ( -0.1916667 0.1653233 0.3107587), wk = 0.0021645 k( 426) = ( -0.2000000 0.1725113 0.3107587), wk = 0.0021645 k( 427) = ( -0.2083333 0.1796993 0.3107587), wk = 0.0021645 k( 428) = ( -0.2166667 0.1868873 0.3107587), wk = 0.0021645 k( 429) = ( -0.2250000 0.1940752 0.3107587), wk = 0.0021645 k( 430) = ( -0.2333333 0.2012632 0.3107587), wk = 0.0021645 k( 431) = ( -0.2416667 0.2084512 0.3107587), wk = 0.0021645 k( 432) = ( -0.2500000 0.2156391 0.3107587), wk = 0.0021645 k( 433) = ( -0.2583333 0.2228271 0.3107587), wk = 0.0021645 k( 434) = ( -0.2666667 0.2300151 0.3107587), wk = 0.0021645 k( 435) = ( -0.2750000 0.2372031 0.3107587), wk = 0.0021645 k( 436) = ( -0.2833333 0.2443910 0.3107587), wk = 0.0021645 k( 437) = ( -0.2916667 0.2515790 0.3107587), wk = 0.0021645 k( 438) = ( -0.3000000 0.2587670 0.3107587), wk = 0.0021645 k( 439) = ( -0.3083333 0.2659549 0.3107587), wk = 0.0021645 k( 440) = ( -0.3166667 0.2731429 0.3107587), wk = 0.0021645 k( 441) = ( -0.3250000 0.2803309 0.3107587), wk = 0.0021645 k( 442) = ( -0.3333333 0.2875189 0.3107587), wk = 0.0021645 k( 443) = ( -0.3416667 0.2947068 0.3107587), wk = 0.0021645 k( 444) = ( -0.3500000 0.3018948 0.3107587), wk = 0.0021645 k( 445) = ( -0.3583333 0.3090828 0.3107587), wk = 0.0021645 k( 446) = ( -0.3666667 0.3162707 0.3107587), wk = 0.0021645 k( 447) = ( -0.3750000 0.3234587 0.3107587), wk = 0.0021645 k( 448) = ( -0.3833333 0.3306467 0.3107587), wk = 0.0021645 k( 449) = ( -0.3916667 0.3378347 0.3107587), wk = 0.0021645 k( 450) = ( -0.4000000 0.3450226 0.3107587), wk = 0.0021645 k( 451) = ( -0.4083333 0.3522106 0.3107587), wk = 0.0021645 k( 452) = ( -0.4166667 0.3593986 0.3107587), wk = 0.0021645 k( 453) = ( -0.4250000 0.3665865 0.3107587), wk = 0.0021645 k( 454) = ( -0.4333333 0.3737745 0.3107587), wk = 0.0021645 k( 455) = ( -0.4416667 0.3809625 0.3107587), wk = 0.0021645 k( 456) = ( -0.4500000 0.3881505 0.3107587), wk = 0.0021645 k( 457) = ( -0.4583333 0.3953384 0.3107587), wk = 0.0021645 k( 458) = ( -0.4666667 0.4025264 0.3107587), wk = 0.0021645 k( 459) = ( -0.4750000 0.4097144 0.3107587), wk = 0.0021645 k( 460) = ( -0.4833333 0.4169023 0.3107587), wk = 0.0021645 k( 461) = ( -0.4916667 0.4240903 0.3107587), wk = 0.0021645 k( 462) = ( -0.5000000 0.4312783 0.3107587), wk = 0.0021645 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 2) = ( 0.0072667 0.0072667 -0.0000000), wk = 0.0021645 k( 3) = ( 0.0145334 0.0145334 -0.0000000), wk = 0.0021645 k( 4) = ( 0.0218001 0.0218000 -0.0000000), wk = 0.0021645 k( 5) = ( 0.0290667 0.0290667 -0.0000000), wk = 0.0021645 k( 6) = ( 0.0363334 0.0363334 0.0000000), wk = 0.0021645 k( 7) = ( 0.0436001 0.0436001 -0.0000000), wk = 0.0021645 k( 8) = ( 0.0508668 0.0508668 0.0000000), wk = 0.0021645 k( 9) = ( 0.0581335 0.0581335 -0.0000000), wk = 0.0021645 k( 10) = ( 0.0654001 0.0654001 0.0000000), wk = 0.0021645 k( 11) = ( 0.0726668 0.0726668 -0.0000000), wk = 0.0021645 k( 12) = ( 0.0799335 0.0799335 -0.0000000), wk = 0.0021645 k( 13) = ( 0.0872002 0.0872002 -0.0000000), wk = 0.0021645 k( 14) = ( 0.0944669 0.0944669 -0.0000000), wk = 0.0021645 k( 15) = ( 0.1017336 0.1017336 0.0000000), wk = 0.0021645 k( 16) = ( 0.1090002 0.1090002 -0.0000000), wk = 0.0021645 k( 17) = ( 0.1162669 0.1162669 -0.0000000), wk = 0.0021645 k( 18) = ( 0.1235336 0.1235336 -0.0000000), wk = 0.0021645 k( 19) = ( 0.1308003 0.1308003 -0.0000000), wk = 0.0021645 k( 20) = ( 0.1380670 0.1380670 -0.0000000), wk = 0.0021645 k( 21) = ( 0.1453337 0.1453337 -0.0000000), wk = 0.0021645 k( 22) = ( 0.1526003 0.1526003 -0.0000000), wk = 0.0021645 k( 23) = ( 0.1598670 0.1598670 -0.0000000), wk = 0.0021645 k( 24) = ( 0.1671337 0.1671337 -0.0000000), wk = 0.0021645 k( 25) = ( 0.1744004 0.1744004 -0.0000000), wk = 0.0021645 k( 26) = ( 0.1816671 0.1816671 -0.0000000), wk = 0.0021645 k( 27) = ( 0.1889338 0.1889338 -0.0000000), wk = 0.0021645 k( 28) = ( 0.1962004 0.1962004 -0.0000000), wk = 0.0021645 k( 29) = ( 0.2034671 0.2034671 -0.0000000), wk = 0.0021645 k( 30) = ( 0.2107338 0.2107338 -0.0000000), wk = 0.0021645 k( 31) = ( 0.2180005 0.2180005 -0.0000000), wk = 0.0021645 k( 32) = ( 0.2252672 0.2252672 -0.0000000), wk = 0.0021645 k( 33) = ( 0.2325338 0.2325338 -0.0000000), wk = 0.0021645 k( 34) = ( 0.2398005 0.2398005 0.0000000), wk = 0.0021645 k( 35) = ( 0.2470672 0.2470672 0.0000000), wk = 0.0021645 k( 36) = ( 0.2543339 0.2543339 -0.0000000), wk = 0.0021645 k( 37) = ( 0.2616006 0.2616006 0.0000000), wk = 0.0021645 k( 38) = ( 0.2688673 0.2688673 -0.0000000), wk = 0.0021645 k( 39) = ( 0.2761339 0.2761339 -0.0000000), wk = 0.0021645 k( 40) = ( 0.2834006 0.2834006 -0.0000000), wk = 0.0021645 k( 41) = ( 0.2906673 0.2906673 -0.0000000), wk = 0.0021645 k( 42) = ( 0.2979340 0.2979340 -0.0000000), wk = 0.0021645 k( 43) = ( 0.3052007 0.3052007 0.0000000), wk = 0.0021645 k( 44) = ( 0.3124673 0.3124673 0.0000000), wk = 0.0021645 k( 45) = ( 0.3197340 0.3197340 -0.0000000), wk = 0.0021645 k( 46) = ( 0.3270007 0.3270007 -0.0000000), wk = 0.0021645 k( 47) = ( 0.3342674 0.3342674 -0.0000000), wk = 0.0021645 k( 48) = ( 0.3415341 0.3415341 -0.0000000), wk = 0.0021645 k( 49) = ( 0.3488008 0.3488008 -0.0000000), wk = 0.0021645 k( 50) = ( 0.3560675 0.3560675 -0.0000000), wk = 0.0021645 k( 51) = ( 0.3633341 0.3633341 -0.0000000), wk = 0.0021645 k( 52) = ( 0.3706008 0.3706008 -0.0000000), wk = 0.0021645 k( 53) = ( 0.3778675 0.3778675 -0.0000000), wk = 0.0021645 k( 54) = ( 0.3851342 0.3851342 -0.0000000), wk = 0.0021645 k( 55) = ( 0.3924009 0.3924009 -0.0000000), wk = 0.0021645 k( 56) = ( 0.3996675 0.3996675 -0.0000000), wk = 0.0021645 k( 57) = ( 0.4069342 0.4069342 -0.0000000), wk = 0.0021645 k( 58) = ( 0.4142009 0.4142009 -0.0000000), wk = 0.0021645 k( 59) = ( 0.4214676 0.4214676 -0.0000000), wk = 0.0021645 k( 60) = ( 0.4287343 0.4287343 -0.0000000), wk = 0.0021645 k( 61) = ( 0.4360010 0.4360010 -0.0000000), wk = 0.0021645 k( 62) = ( 0.4360010 0.4360010 -0.0000000), wk = 0.0021645 k( 63) = ( 0.4251009 0.4376009 -0.0000000), wk = 0.0021645 k( 64) = ( 0.4142009 0.4392009 -0.0000000), wk = 0.0021645 k( 65) = ( 0.4033009 0.4408009 -0.0000000), wk = 0.0021645 k( 66) = ( 0.3924009 0.4424009 -0.0000000), wk = 0.0021645 k( 67) = ( 0.3815008 0.4440008 -0.0000000), wk = 0.0021645 k( 68) = ( 0.3706008 0.4456008 -0.0000000), wk = 0.0021645 k( 69) = ( 0.3597008 0.4472008 -0.0000000), wk = 0.0021645 k( 70) = ( 0.3488008 0.4488008 0.0000000), wk = 0.0021645 k( 71) = ( 0.3379007 0.4504007 -0.0000000), wk = 0.0021645 k( 72) = ( 0.3270007 0.4520007 -0.0000000), wk = 0.0021645 k( 73) = ( 0.3161007 0.4536007 -0.0000000), wk = 0.0021645 k( 74) = ( 0.3052007 0.4552007 0.0000000), wk = 0.0021645 k( 75) = ( 0.2943006 0.4568006 -0.0000000), wk = 0.0021645 k( 76) = ( 0.2834006 0.4584006 -0.0000000), wk = 0.0021645 k( 77) = ( 0.2725006 0.4600006 -0.0000000), wk = 0.0021645 k( 78) = ( 0.2616006 0.4616006 0.0000000), wk = 0.0021645 k( 79) = ( 0.2507006 0.4632006 -0.0000000), wk = 0.0021645 k( 80) = ( 0.2398005 0.4648005 -0.0000000), wk = 0.0021645 k( 81) = ( 0.2289005 0.4664005 -0.0000000), wk = 0.0021645 k( 82) = ( 0.2180005 0.4680005 -0.0000000), wk = 0.0021645 k( 83) = ( 0.2071004 0.4696004 -0.0000000), wk = 0.0021645 k( 84) = ( 0.1962004 0.4712004 -0.0000000), wk = 0.0021645 k( 85) = ( 0.1853004 0.4728004 -0.0000000), wk = 0.0021645 k( 86) = ( 0.1744004 0.4744004 -0.0000000), wk = 0.0021645 k( 87) = ( 0.1635004 0.4760004 -0.0000000), wk = 0.0021645 k( 88) = ( 0.1526003 0.4776003 0.0000000), wk = 0.0021645 k( 89) = ( 0.1417003 0.4792003 -0.0000000), wk = 0.0021645 k( 90) = ( 0.1308003 0.4808003 -0.0000000), wk = 0.0021645 k( 91) = ( 0.1199003 0.4824003 -0.0000000), wk = 0.0021645 k( 92) = ( 0.1090002 0.4840002 0.0000000), wk = 0.0021645 k( 93) = ( 0.0981002 0.4856002 -0.0000000), wk = 0.0021645 k( 94) = ( 0.0872002 0.4872002 -0.0000000), wk = 0.0021645 k( 95) = ( 0.0763002 0.4888002 0.0000000), wk = 0.0021645 k( 96) = ( 0.0654001 0.4904001 -0.0000000), wk = 0.0021645 k( 97) = ( 0.0545001 0.4920001 -0.0000000), wk = 0.0021645 k( 98) = ( 0.0436001 0.4936001 -0.0000000), wk = 0.0021645 k( 99) = ( 0.0327001 0.4952001 -0.0000000), wk = 0.0021645 k( 100) = ( 0.0218001 0.4968001 -0.0000000), wk = 0.0021645 k( 101) = ( 0.0109000 0.4984000 -0.0000000), wk = 0.0021645 k( 102) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021645 k( 103) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021645 k( 104) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0021645 k( 105) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0021645 k( 106) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0021645 k( 107) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0021645 k( 108) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0021645 k( 109) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0021645 k( 110) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021645 k( 111) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0021645 k( 112) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0021645 k( 113) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0021645 k( 114) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0021645 k( 115) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0021645 k( 116) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0021645 k( 117) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021645 k( 118) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0021645 k( 119) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0021645 k( 120) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0021645 k( 121) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0021645 k( 122) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0021645 k( 123) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0021645 k( 124) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021645 k( 125) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0021645 k( 126) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0021645 k( 127) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0021645 k( 128) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0021645 k( 129) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0021645 k( 130) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0021645 k( 131) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021645 k( 132) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021645 k( 133) = ( 0.0109000 0.4984000 0.5000000), wk = 0.0021645 k( 134) = ( 0.0218001 0.4968001 0.5000000), wk = 0.0021645 k( 135) = ( 0.0327001 0.4952001 0.5000000), wk = 0.0021645 k( 136) = ( 0.0436001 0.4936001 0.5000000), wk = 0.0021645 k( 137) = ( 0.0545001 0.4920001 0.5000000), wk = 0.0021645 k( 138) = ( 0.0654001 0.4904001 0.5000000), wk = 0.0021645 k( 139) = ( 0.0763002 0.4888002 0.5000000), wk = 0.0021645 k( 140) = ( 0.0872002 0.4872002 0.5000000), wk = 0.0021645 k( 141) = ( 0.0981002 0.4856002 0.5000000), wk = 0.0021645 k( 142) = ( 0.1090002 0.4840002 0.5000000), wk = 0.0021645 k( 143) = ( 0.1199003 0.4824003 0.5000000), wk = 0.0021645 k( 144) = ( 0.1308003 0.4808003 0.5000000), wk = 0.0021645 k( 145) = ( 0.1417003 0.4792003 0.5000000), wk = 0.0021645 k( 146) = ( 0.1526003 0.4776003 0.5000000), wk = 0.0021645 k( 147) = ( 0.1635004 0.4760004 0.5000000), wk = 0.0021645 k( 148) = ( 0.1744004 0.4744004 0.5000000), wk = 0.0021645 k( 149) = ( 0.1853004 0.4728004 0.5000000), wk = 0.0021645 k( 150) = ( 0.1962004 0.4712004 0.5000000), wk = 0.0021645 k( 151) = ( 0.2071004 0.4696004 0.5000000), wk = 0.0021645 k( 152) = ( 0.2180005 0.4680005 0.5000000), wk = 0.0021645 k( 153) = ( 0.2289005 0.4664005 0.5000000), wk = 0.0021645 k( 154) = ( 0.2398005 0.4648005 0.5000000), wk = 0.0021645 k( 155) = ( 0.2507006 0.4632006 0.5000000), wk = 0.0021645 k( 156) = ( 0.2616006 0.4616006 0.5000000), wk = 0.0021645 k( 157) = ( 0.2725006 0.4600006 0.5000000), wk = 0.0021645 k( 158) = ( 0.2834006 0.4584006 0.5000000), wk = 0.0021645 k( 159) = ( 0.2943006 0.4568006 0.5000000), wk = 0.0021645 k( 160) = ( 0.3052007 0.4552007 0.5000000), wk = 0.0021645 k( 161) = ( 0.3161007 0.4536007 0.5000000), wk = 0.0021645 k( 162) = ( 0.3270007 0.4520007 0.5000000), wk = 0.0021645 k( 163) = ( 0.3379007 0.4504007 0.5000000), wk = 0.0021645 k( 164) = ( 0.3488008 0.4488008 0.5000000), wk = 0.0021645 k( 165) = ( 0.3597008 0.4472008 0.5000000), wk = 0.0021645 k( 166) = ( 0.3706008 0.4456008 0.5000000), wk = 0.0021645 k( 167) = ( 0.3815008 0.4440008 0.5000000), wk = 0.0021645 k( 168) = ( 0.3924009 0.4424009 0.5000000), wk = 0.0021645 k( 169) = ( 0.4033009 0.4408009 0.5000000), wk = 0.0021645 k( 170) = ( 0.4142009 0.4392009 0.5000000), wk = 0.0021645 k( 171) = ( 0.4251009 0.4376009 0.5000000), wk = 0.0021645 k( 172) = ( 0.4360010 0.4360010 0.5000000), wk = 0.0021645 k( 173) = ( 0.4360010 0.4360010 0.5000000), wk = 0.0021645 k( 174) = ( 0.4287343 0.4287343 0.5000000), wk = 0.0021645 k( 175) = ( 0.4214676 0.4214676 0.5000000), wk = 0.0021645 k( 176) = ( 0.4142009 0.4142009 0.5000000), wk = 0.0021645 k( 177) = ( 0.4069342 0.4069342 0.5000000), wk = 0.0021645 k( 178) = ( 0.3996675 0.3996675 0.5000000), wk = 0.0021645 k( 179) = ( 0.3924009 0.3924009 0.5000000), wk = 0.0021645 k( 180) = ( 0.3851342 0.3851342 0.5000000), wk = 0.0021645 k( 181) = ( 0.3778675 0.3778675 0.5000000), wk = 0.0021645 k( 182) = ( 0.3706008 0.3706008 0.5000000), wk = 0.0021645 k( 183) = ( 0.3633341 0.3633341 0.5000000), wk = 0.0021645 k( 184) = ( 0.3560675 0.3560675 0.5000000), wk = 0.0021645 k( 185) = ( 0.3488008 0.3488008 0.5000000), wk = 0.0021645 k( 186) = ( 0.3415341 0.3415341 0.5000000), wk = 0.0021645 k( 187) = ( 0.3342674 0.3342674 0.5000000), wk = 0.0021645 k( 188) = ( 0.3270007 0.3270007 0.5000000), wk = 0.0021645 k( 189) = ( 0.3197340 0.3197340 0.5000000), wk = 0.0021645 k( 190) = ( 0.3124673 0.3124673 0.5000000), wk = 0.0021645 k( 191) = ( 0.3052007 0.3052007 0.5000000), wk = 0.0021645 k( 192) = ( 0.2979340 0.2979340 0.5000000), wk = 0.0021645 k( 193) = ( 0.2906673 0.2906673 0.5000000), wk = 0.0021645 k( 194) = ( 0.2834006 0.2834006 0.5000000), wk = 0.0021645 k( 195) = ( 0.2761339 0.2761339 0.5000000), wk = 0.0021645 k( 196) = ( 0.2688673 0.2688673 0.5000000), wk = 0.0021645 k( 197) = ( 0.2616006 0.2616006 0.5000000), wk = 0.0021645 k( 198) = ( 0.2543339 0.2543339 0.5000000), wk = 0.0021645 k( 199) = ( 0.2470672 0.2470672 0.5000000), wk = 0.0021645 k( 200) = ( 0.2398005 0.2398005 0.5000000), wk = 0.0021645 k( 201) = ( 0.2325338 0.2325338 0.5000000), wk = 0.0021645 k( 202) = ( 0.2252672 0.2252672 0.5000000), wk = 0.0021645 k( 203) = ( 0.2180005 0.2180005 0.5000000), wk = 0.0021645 k( 204) = ( 0.2107338 0.2107338 0.5000000), wk = 0.0021645 k( 205) = ( 0.2034671 0.2034671 0.5000000), wk = 0.0021645 k( 206) = ( 0.1962004 0.1962004 0.5000000), wk = 0.0021645 k( 207) = ( 0.1889338 0.1889338 0.5000000), wk = 0.0021645 k( 208) = ( 0.1816671 0.1816671 0.5000000), wk = 0.0021645 k( 209) = ( 0.1744004 0.1744004 0.5000000), wk = 0.0021645 k( 210) = ( 0.1671337 0.1671337 0.5000000), wk = 0.0021645 k( 211) = ( 0.1598670 0.1598670 0.5000000), wk = 0.0021645 k( 212) = ( 0.1526003 0.1526003 0.5000000), wk = 0.0021645 k( 213) = ( 0.1453337 0.1453337 0.5000000), wk = 0.0021645 k( 214) = ( 0.1380670 0.1380670 0.5000000), wk = 0.0021645 k( 215) = ( 0.1308003 0.1308003 0.5000000), wk = 0.0021645 k( 216) = ( 0.1235336 0.1235336 0.5000000), wk = 0.0021645 k( 217) = ( 0.1162669 0.1162669 0.5000000), wk = 0.0021645 k( 218) = ( 0.1090002 0.1090002 0.5000000), wk = 0.0021645 k( 219) = ( 0.1017336 0.1017336 0.5000000), wk = 0.0021645 k( 220) = ( 0.0944669 0.0944669 0.5000000), wk = 0.0021645 k( 221) = ( 0.0872002 0.0872002 0.5000000), wk = 0.0021645 k( 222) = ( 0.0799335 0.0799335 0.5000000), wk = 0.0021645 k( 223) = ( 0.0726668 0.0726668 0.5000000), wk = 0.0021645 k( 224) = ( 0.0654001 0.0654001 0.5000000), wk = 0.0021645 k( 225) = ( 0.0581335 0.0581335 0.5000000), wk = 0.0021645 k( 226) = ( 0.0508668 0.0508668 0.5000000), wk = 0.0021645 k( 227) = ( 0.0436001 0.0436001 0.5000000), wk = 0.0021645 k( 228) = ( 0.0363334 0.0363334 0.5000000), wk = 0.0021645 k( 229) = ( 0.0290667 0.0290667 0.5000000), wk = 0.0021645 k( 230) = ( 0.0218001 0.0218000 0.5000000), wk = 0.0021645 k( 231) = ( 0.0145334 0.0145334 0.5000000), wk = 0.0021645 k( 232) = ( 0.0072667 0.0072667 0.5000000), wk = 0.0021645 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 235) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0021645 k( 236) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0021645 k( 237) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0021645 k( 238) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021645 k( 239) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0021645 k( 240) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0021645 k( 241) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021645 k( 242) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021645 k( 243) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0021645 k( 244) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0021645 k( 245) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0021645 k( 246) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021645 k( 247) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0021645 k( 248) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021645 k( 249) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0021645 k( 250) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021645 k( 251) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0021645 k( 252) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0021645 k( 253) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0021645 k( 254) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021645 k( 255) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021645 k( 256) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0021645 k( 257) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0021645 k( 258) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021645 k( 259) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0021645 k( 260) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0021645 k( 261) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0021645 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021645 k( 264) = ( -0.0083333 0.0083333 -0.0000000), wk = 0.0021645 k( 265) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0021645 k( 266) = ( -0.0250000 0.0250000 0.0000000), wk = 0.0021645 k( 267) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0021645 k( 268) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0021645 k( 269) = ( -0.0500000 0.0500000 0.0000000), wk = 0.0021645 k( 270) = ( -0.0583333 0.0583333 -0.0000000), wk = 0.0021645 k( 271) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0021645 k( 272) = ( -0.0750000 0.0750000 -0.0000000), wk = 0.0021645 k( 273) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0021645 k( 274) = ( -0.0916667 0.0916667 0.0000000), wk = 0.0021645 k( 275) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0021645 k( 276) = ( -0.1083333 0.1083333 -0.0000000), wk = 0.0021645 k( 277) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0021645 k( 278) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0021645 k( 279) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0021645 k( 280) = ( -0.1416667 0.1416667 -0.0000000), wk = 0.0021645 k( 281) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0021645 k( 282) = ( -0.1583333 0.1583333 -0.0000000), wk = 0.0021645 k( 283) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0021645 k( 284) = ( -0.1750000 0.1750000 -0.0000000), wk = 0.0021645 k( 285) = ( -0.1833333 0.1833333 0.0000000), wk = 0.0021645 k( 286) = ( -0.1916667 0.1916667 -0.0000000), wk = 0.0021645 k( 287) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0021645 k( 288) = ( -0.2083333 0.2083333 -0.0000000), wk = 0.0021645 k( 289) = ( -0.2166667 0.2166667 -0.0000000), wk = 0.0021645 k( 290) = ( -0.2250000 0.2250000 -0.0000000), wk = 0.0021645 k( 291) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0021645 k( 292) = ( -0.2416667 0.2416667 -0.0000000), wk = 0.0021645 k( 293) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0021645 k( 294) = ( -0.2583333 0.2583333 -0.0000000), wk = 0.0021645 k( 295) = ( -0.2666667 0.2666667 -0.0000000), wk = 0.0021645 k( 296) = ( -0.2750000 0.2750000 -0.0000000), wk = 0.0021645 k( 297) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0021645 k( 298) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0021645 k( 299) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0021645 k( 300) = ( -0.3083333 0.3083333 -0.0000000), wk = 0.0021645 k( 301) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0021645 k( 302) = ( -0.3250000 0.3250000 -0.0000000), wk = 0.0021645 k( 303) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0021645 k( 304) = ( -0.3416667 0.3416667 -0.0000000), wk = 0.0021645 k( 305) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0021645 k( 306) = ( -0.3583333 0.3583333 -0.0000000), wk = 0.0021645 k( 307) = ( -0.3666667 0.3666667 -0.0000000), wk = 0.0021645 k( 308) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0021645 k( 309) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0021645 k( 310) = ( -0.3916667 0.3916667 0.0000000), wk = 0.0021645 k( 311) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0021645 k( 312) = ( -0.4083333 0.4083333 -0.0000000), wk = 0.0021645 k( 313) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0021645 k( 314) = ( -0.4250000 0.4250000 -0.0000000), wk = 0.0021645 k( 315) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0021645 k( 316) = ( -0.4416667 0.4416667 -0.0000000), wk = 0.0021645 k( 317) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0021645 k( 318) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0021645 k( 319) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0021645 k( 320) = ( -0.4750000 0.4750000 -0.0000000), wk = 0.0021645 k( 321) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0021645 k( 322) = ( -0.4916667 0.4916667 -0.0000000), wk = 0.0021645 k( 323) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021645 k( 324) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021645 k( 325) = ( -0.4928890 0.5071110 -0.0000000), wk = 0.0021645 k( 326) = ( -0.4857780 0.5142220 -0.0000000), wk = 0.0021645 k( 327) = ( -0.4786670 0.5213330 -0.0000000), wk = 0.0021645 k( 328) = ( -0.4715560 0.5284440 -0.0000000), wk = 0.0021645 k( 329) = ( -0.4644450 0.5355550 -0.0000000), wk = 0.0021645 k( 330) = ( -0.4573340 0.5426660 -0.0000000), wk = 0.0021645 k( 331) = ( -0.4502230 0.5497770 -0.0000000), wk = 0.0021645 k( 332) = ( -0.4431120 0.5568880 0.0000000), wk = 0.0021645 k( 333) = ( -0.4360010 0.5639990 -0.0000000), wk = 0.0021645 k( 334) = ( -0.4360010 0.5639990 -0.0000000), wk = 0.0021645 k( 335) = ( -0.4360010 0.5639990 0.0178571), wk = 0.0021645 k( 336) = ( -0.4360010 0.5639990 0.0357143), wk = 0.0021645 k( 337) = ( -0.4360010 0.5639990 0.0535714), wk = 0.0021645 k( 338) = ( -0.4360010 0.5639990 0.0714286), wk = 0.0021645 k( 339) = ( -0.4360010 0.5639990 0.0892857), wk = 0.0021645 k( 340) = ( -0.4360010 0.5639990 0.1071429), wk = 0.0021645 k( 341) = ( -0.4360010 0.5639990 0.1250000), wk = 0.0021645 k( 342) = ( -0.4360010 0.5639990 0.1428571), wk = 0.0021645 k( 343) = ( -0.4360010 0.5639990 0.1607143), wk = 0.0021645 k( 344) = ( -0.4360010 0.5639990 0.1785714), wk = 0.0021645 k( 345) = ( -0.4360010 0.5639990 0.1964286), wk = 0.0021645 k( 346) = ( -0.4360010 0.5639990 0.2142857), wk = 0.0021645 k( 347) = ( -0.4360010 0.5639990 0.2321429), wk = 0.0021645 k( 348) = ( -0.4360010 0.5639990 0.2500000), wk = 0.0021645 k( 349) = ( -0.4360010 0.5639990 0.2678571), wk = 0.0021645 k( 350) = ( -0.4360010 0.5639990 0.2857143), wk = 0.0021645 k( 351) = ( -0.4360010 0.5639990 0.3035714), wk = 0.0021645 k( 352) = ( -0.4360010 0.5639990 0.3214286), wk = 0.0021645 k( 353) = ( -0.4360010 0.5639990 0.3392857), wk = 0.0021645 k( 354) = ( -0.4360010 0.5639990 0.3571429), wk = 0.0021645 k( 355) = ( -0.4360010 0.5639990 0.3750000), wk = 0.0021645 k( 356) = ( -0.4360010 0.5639990 0.3928571), wk = 0.0021645 k( 357) = ( -0.4360010 0.5639990 0.4107143), wk = 0.0021645 k( 358) = ( -0.4360010 0.5639990 0.4285714), wk = 0.0021645 k( 359) = ( -0.4360010 0.5639990 0.4464286), wk = 0.0021645 k( 360) = ( -0.4360010 0.5639990 0.4642857), wk = 0.0021645 k( 361) = ( -0.4360010 0.5639990 0.4821429), wk = 0.0021645 k( 362) = ( -0.4360010 0.5639990 0.5000000), wk = 0.0021645 k( 363) = ( -0.4360010 0.5639990 0.5000000), wk = 0.0021645 k( 364) = ( -0.4431120 0.5568880 0.5000000), wk = 0.0021645 k( 365) = ( -0.4502230 0.5497770 0.5000000), wk = 0.0021645 k( 366) = ( -0.4573340 0.5426660 0.5000000), wk = 0.0021645 k( 367) = ( -0.4644450 0.5355550 0.5000000), wk = 0.0021645 k( 368) = ( -0.4715560 0.5284440 0.5000000), wk = 0.0021645 k( 369) = ( -0.4786670 0.5213330 0.5000000), wk = 0.0021645 k( 370) = ( -0.4857780 0.5142220 0.5000000), wk = 0.0021645 k( 371) = ( -0.4928890 0.5071110 0.5000000), wk = 0.0021645 k( 372) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 k( 373) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 k( 374) = ( -0.5000000 0.5000000 0.4821429), wk = 0.0021645 k( 375) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0021645 k( 376) = ( -0.5000000 0.5000000 0.4464286), wk = 0.0021645 k( 377) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0021645 k( 378) = ( -0.5000000 0.5000000 0.4107143), wk = 0.0021645 k( 379) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0021645 k( 380) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021645 k( 381) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0021645 k( 382) = ( -0.5000000 0.5000000 0.3392857), wk = 0.0021645 k( 383) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0021645 k( 384) = ( -0.5000000 0.5000000 0.3035714), wk = 0.0021645 k( 385) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0021645 k( 386) = ( -0.5000000 0.5000000 0.2678571), wk = 0.0021645 k( 387) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021645 k( 388) = ( -0.5000000 0.5000000 0.2321429), wk = 0.0021645 k( 389) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0021645 k( 390) = ( -0.5000000 0.5000000 0.1964286), wk = 0.0021645 k( 391) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0021645 k( 392) = ( -0.5000000 0.5000000 0.1607143), wk = 0.0021645 k( 393) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0021645 k( 394) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021645 k( 395) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0021645 k( 396) = ( -0.5000000 0.5000000 0.0892857), wk = 0.0021645 k( 397) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0021645 k( 398) = ( -0.5000000 0.5000000 0.0535714), wk = 0.0021645 k( 399) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0021645 k( 400) = ( -0.5000000 0.5000000 0.0178571), wk = 0.0021645 k( 401) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021645 k( 402) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021645 k( 403) = ( -0.0083333 0.0083333 0.5000000), wk = 0.0021645 k( 404) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0021645 k( 405) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0021645 k( 406) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0021645 k( 407) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0021645 k( 408) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0021645 k( 409) = ( -0.0583333 0.0583333 0.5000000), wk = 0.0021645 k( 410) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0021645 k( 411) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0021645 k( 412) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0021645 k( 413) = ( -0.0916667 0.0916667 0.5000000), wk = 0.0021645 k( 414) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0021645 k( 415) = ( -0.1083333 0.1083333 0.5000000), wk = 0.0021645 k( 416) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0021645 k( 417) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0021645 k( 418) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0021645 k( 419) = ( -0.1416667 0.1416667 0.5000000), wk = 0.0021645 k( 420) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0021645 k( 421) = ( -0.1583333 0.1583333 0.5000000), wk = 0.0021645 k( 422) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021645 k( 423) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0021645 k( 424) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0021645 k( 425) = ( -0.1916667 0.1916667 0.5000000), wk = 0.0021645 k( 426) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0021645 k( 427) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0021645 k( 428) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0021645 k( 429) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0021645 k( 430) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0021645 k( 431) = ( -0.2416667 0.2416667 0.5000000), wk = 0.0021645 k( 432) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021645 k( 433) = ( -0.2583333 0.2583333 0.5000000), wk = 0.0021645 k( 434) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0021645 k( 435) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0021645 k( 436) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0021645 k( 437) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0021645 k( 438) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0021645 k( 439) = ( -0.3083333 0.3083333 0.5000000), wk = 0.0021645 k( 440) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0021645 k( 441) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0021645 k( 442) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021645 k( 443) = ( -0.3416667 0.3416667 0.5000000), wk = 0.0021645 k( 444) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0021645 k( 445) = ( -0.3583333 0.3583333 0.5000000), wk = 0.0021645 k( 446) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0021645 k( 447) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0021645 k( 448) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0021645 k( 449) = ( -0.3916667 0.3916667 0.5000000), wk = 0.0021645 k( 450) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0021645 k( 451) = ( -0.4083333 0.4083333 0.5000000), wk = 0.0021645 k( 452) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0021645 k( 453) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0021645 k( 454) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0021645 k( 455) = ( -0.4416667 0.4416667 0.5000000), wk = 0.0021645 k( 456) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0021645 k( 457) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0021645 k( 458) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0021645 k( 459) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0021645 k( 460) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0021645 k( 461) = ( -0.4916667 0.4916667 0.5000000), wk = 0.0021645 k( 462) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021645 Dense grid: 45981 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 16423 G-vectors FFT dimensions: ( 27, 27, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 118, 40) NL pseudopotentials 0.10 Mb ( 59, 112) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1279) G-vector shells 0.00 Mb ( 655) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 118, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.1 secs Computing kpt #: 12 total cpu time spent up to now is 3.2 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.0 secs Computing kpt #: 31 total cpu time spent up to now is 6.1 secs Computing kpt #: 32 total cpu time spent up to now is 6.3 secs Computing kpt #: 33 total cpu time spent up to now is 6.4 secs Computing kpt #: 34 total cpu time spent up to now is 6.6 secs Computing kpt #: 35 total cpu time spent up to now is 6.7 secs Computing kpt #: 36 total cpu time spent up to now is 6.9 secs Computing kpt #: 37 total cpu time spent up to now is 7.0 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.3 secs Computing kpt #: 40 total cpu time spent up to now is 7.5 secs Computing kpt #: 41 total cpu time spent up to now is 7.6 secs Computing kpt #: 42 total cpu time spent up to now is 7.8 secs Computing kpt #: 43 total cpu time spent up to now is 7.9 secs Computing kpt #: 44 total cpu time spent up to now is 8.1 secs Computing kpt #: 45 total cpu time spent up to now is 8.2 secs Computing kpt #: 46 total cpu time spent up to now is 8.4 secs Computing kpt #: 47 total cpu time spent up to now is 8.5 secs Computing kpt #: 48 total cpu time spent up to now is 8.7 secs Computing kpt #: 49 total cpu time spent up to now is 8.8 secs Computing kpt #: 50 total cpu time spent up to now is 9.0 secs Computing kpt #: 51 total cpu time spent up to now is 9.1 secs Computing kpt #: 52 total cpu time spent up to now is 9.3 secs Computing kpt #: 53 total cpu time spent up to now is 9.4 secs Computing kpt #: 54 total cpu time spent up to now is 9.6 secs Computing kpt #: 55 total cpu time spent up to now is 9.7 secs Computing kpt #: 56 total cpu time spent up to now is 9.9 secs Computing kpt #: 57 total cpu time spent up to now is 10.0 secs Computing kpt #: 58 total cpu time spent up to now is 10.2 secs Computing kpt #: 59 total cpu time spent up to now is 10.3 secs Computing kpt #: 60 total cpu time spent up to now is 10.5 secs Computing kpt #: 61 total cpu time spent up to now is 10.6 secs Computing kpt #: 62 total cpu time spent up to now is 10.8 secs Computing kpt #: 63 total cpu time spent up to now is 11.0 secs Computing kpt #: 64 total cpu time spent up to now is 11.1 secs Computing kpt #: 65 total cpu time spent up to now is 11.3 secs Computing kpt #: 66 total cpu time spent up to now is 11.4 secs Computing kpt #: 67 total cpu time spent up to now is 11.6 secs Computing kpt #: 68 total cpu time spent up to now is 11.7 secs Computing kpt #: 69 total cpu time spent up to now is 11.9 secs Computing kpt #: 70 total cpu time spent up to now is 12.0 secs Computing kpt #: 71 total cpu time spent up to now is 12.2 secs Computing kpt #: 72 total cpu time spent up to now is 12.3 secs Computing kpt #: 73 total cpu time spent up to now is 12.5 secs Computing kpt #: 74 total cpu time spent up to now is 12.7 secs Computing kpt #: 75 total cpu time spent up to now is 12.8 secs Computing kpt #: 76 total cpu time spent up to now is 13.0 secs Computing kpt #: 77 total cpu time spent up to now is 13.1 secs Computing kpt #: 78 total cpu time spent up to now is 13.3 secs Computing kpt #: 79 total cpu time spent up to now is 13.4 secs Computing kpt #: 80 total cpu time spent up to now is 13.6 secs Computing kpt #: 81 total cpu time spent up to now is 13.7 secs Computing kpt #: 82 total cpu time spent up to now is 13.9 secs Computing kpt #: 83 total cpu time spent up to now is 14.0 secs Computing kpt #: 84 total cpu time spent up to now is 14.2 secs Computing kpt #: 85 total cpu time spent up to now is 14.3 secs Computing kpt #: 86 total cpu time spent up to now is 14.5 secs Computing kpt #: 87 total cpu time spent up to now is 14.7 secs Computing kpt #: 88 total cpu time spent up to now is 14.8 secs Computing kpt #: 89 total cpu time spent up to now is 15.0 secs Computing kpt #: 90 total cpu time spent up to now is 15.1 secs Computing kpt #: 91 total cpu time spent up to now is 15.3 secs Computing kpt #: 92 total cpu time spent up to now is 15.4 secs Computing kpt #: 93 total cpu time spent up to now is 15.6 secs Computing kpt #: 94 total cpu time spent up to now is 15.7 secs Computing kpt #: 95 total cpu time spent up to now is 15.9 secs Computing kpt #: 96 total cpu time spent up to now is 16.0 secs Computing kpt #: 97 total cpu time spent up to now is 16.2 secs Computing kpt #: 98 total cpu time spent up to now is 16.3 secs Computing kpt #: 99 total cpu time spent up to now is 16.5 secs Computing kpt #: 100 total cpu time spent up to now is 16.6 secs Computing kpt #: 101 total cpu time spent up to now is 16.8 secs Computing kpt #: 102 total cpu time spent up to now is 16.9 secs Computing kpt #: 103 total cpu time spent up to now is 17.1 secs Computing kpt #: 104 total cpu time spent up to now is 17.2 secs Computing kpt #: 105 total cpu time spent up to now is 17.4 secs Computing kpt #: 106 total cpu time spent up to now is 17.5 secs Computing kpt #: 107 total cpu time spent up to now is 17.7 secs Computing kpt #: 108 total cpu time spent up to now is 17.8 secs Computing kpt #: 109 total cpu time spent up to now is 18.0 secs Computing kpt #: 110 total cpu time spent up to now is 18.2 secs Computing kpt #: 111 total cpu time spent up to now is 18.3 secs Computing kpt #: 112 total cpu time spent up to now is 18.5 secs Computing kpt #: 113 total cpu time spent up to now is 18.6 secs Computing kpt #: 114 total cpu time spent up to now is 18.8 secs Computing kpt #: 115 total cpu time spent up to now is 18.9 secs Computing kpt #: 116 total cpu time spent up to now is 19.1 secs Computing kpt #: 117 total cpu time spent up to now is 19.2 secs Computing kpt #: 118 total cpu time spent up to now is 19.4 secs Computing kpt #: 119 total cpu time spent up to now is 19.5 secs Computing kpt #: 120 total cpu time spent up to now is 19.7 secs Computing kpt #: 121 total cpu time spent up to now is 19.8 secs Computing kpt #: 122 total cpu time spent up to now is 20.0 secs Computing kpt #: 123 total cpu time spent up to now is 20.1 secs Computing kpt #: 124 total cpu time spent up to now is 20.3 secs Computing kpt #: 125 total cpu time spent up to now is 20.4 secs Computing kpt #: 126 total cpu time spent up to now is 20.6 secs Computing kpt #: 127 total cpu time spent up to now is 20.7 secs Computing kpt #: 128 total cpu time spent up to now is 20.9 secs Computing kpt #: 129 total cpu time spent up to now is 21.0 secs Computing kpt #: 130 total cpu time spent up to now is 21.2 secs Computing kpt #: 131 total cpu time spent up to now is 21.3 secs Computing kpt #: 132 total cpu time spent up to now is 21.5 secs Computing kpt #: 133 total cpu time spent up to now is 21.6 secs Computing kpt #: 134 total cpu time spent up to now is 21.8 secs Computing kpt #: 135 total cpu time spent up to now is 21.9 secs Computing kpt #: 136 total cpu time spent up to now is 22.1 secs Computing kpt #: 137 total cpu time spent up to now is 22.3 secs Computing kpt #: 138 total cpu time spent up to now is 22.4 secs Computing kpt #: 139 total cpu time spent up to now is 22.6 secs Computing kpt #: 140 total cpu time spent up to now is 22.7 secs Computing kpt #: 141 total cpu time spent up to now is 22.9 secs Computing kpt #: 142 total cpu time spent up to now is 23.0 secs Computing kpt #: 143 total cpu time spent up to now is 23.2 secs Computing kpt #: 144 total cpu time spent up to now is 23.3 secs Computing kpt #: 145 total cpu time spent up to now is 23.5 secs Computing kpt #: 146 total cpu time spent up to now is 23.6 secs Computing kpt #: 147 total cpu time spent up to now is 23.8 secs Computing kpt #: 148 total cpu time spent up to now is 23.9 secs Computing kpt #: 149 total cpu time spent up to now is 24.1 secs Computing kpt #: 150 total cpu time spent up to now is 24.3 secs Computing kpt #: 151 total cpu time spent up to now is 24.4 secs Computing kpt #: 152 total cpu time spent up to now is 24.6 secs Computing kpt #: 153 total cpu time spent up to now is 24.8 secs Computing kpt #: 154 total cpu time spent up to now is 24.9 secs Computing kpt #: 155 total cpu time spent up to now is 25.1 secs Computing kpt #: 156 total cpu time spent up to now is 25.2 secs Computing kpt #: 157 total cpu time spent up to now is 25.4 secs Computing kpt #: 158 total cpu time spent up to now is 25.6 secs Computing kpt #: 159 total cpu time spent up to now is 25.7 secs Computing kpt #: 160 total cpu time spent up to now is 25.9 secs Computing kpt #: 161 total cpu time spent up to now is 26.1 secs Computing kpt #: 162 total cpu time spent up to now is 26.2 secs Computing kpt #: 163 total cpu time spent up to now is 26.4 secs Computing kpt #: 164 total cpu time spent up to now is 26.6 secs Computing kpt #: 165 total cpu time spent up to now is 26.7 secs Computing kpt #: 166 total cpu time spent up to now is 26.9 secs Computing kpt #: 167 total cpu time spent up to now is 27.0 secs Computing kpt #: 168 total cpu time spent up to now is 27.2 secs Computing kpt #: 169 total cpu time spent up to now is 27.4 secs Computing kpt #: 170 total cpu time spent up to now is 27.5 secs Computing kpt #: 171 total cpu time spent up to now is 27.7 secs Computing kpt #: 172 total cpu time spent up to now is 27.8 secs Computing kpt #: 173 total cpu time spent up to now is 28.0 secs Computing kpt #: 174 total cpu time spent up to now is 28.1 secs Computing kpt #: 175 total cpu time spent up to now is 28.3 secs Computing kpt #: 176 total cpu time spent up to now is 28.4 secs Computing kpt #: 177 total cpu time spent up to now is 28.6 secs Computing kpt #: 178 total cpu time spent up to now is 28.7 secs Computing kpt #: 179 total cpu time spent up to now is 28.9 secs Computing kpt #: 180 total cpu time spent up to now is 29.0 secs Computing kpt #: 181 total cpu time spent up to now is 29.2 secs Computing kpt #: 182 total cpu time spent up to now is 29.3 secs Computing kpt #: 183 total cpu time spent up to now is 29.5 secs Computing kpt #: 184 total cpu time spent up to now is 29.6 secs Computing kpt #: 185 total cpu time spent up to now is 29.8 secs Computing kpt #: 186 total cpu time spent up to now is 30.0 secs Computing kpt #: 187 total cpu time spent up to now is 30.1 secs Computing kpt #: 188 total cpu time spent up to now is 30.3 secs Computing kpt #: 189 total cpu time spent up to now is 30.4 secs Computing kpt #: 190 total cpu time spent up to now is 30.6 secs Computing kpt #: 191 total cpu time spent up to now is 30.7 secs Computing kpt #: 192 total cpu time spent up to now is 30.9 secs Computing kpt #: 193 total cpu time spent up to now is 31.0 secs Computing kpt #: 194 total cpu time spent up to now is 31.2 secs Computing kpt #: 195 total cpu time spent up to now is 31.3 secs Computing kpt #: 196 total cpu time spent up to now is 31.5 secs Computing kpt #: 197 total cpu time spent up to now is 31.6 secs Computing kpt #: 198 total cpu time spent up to now is 31.8 secs Computing kpt #: 199 total cpu time spent up to now is 32.0 secs Computing kpt #: 200 total cpu time spent up to now is 32.1 secs Computing kpt #: 201 total cpu time spent up to now is 32.3 secs Computing kpt #: 202 total cpu time spent up to now is 32.4 secs Computing kpt #: 203 total cpu time spent up to now is 32.6 secs Computing kpt #: 204 total cpu time spent up to now is 32.7 secs Computing kpt #: 205 total cpu time spent up to now is 32.9 secs Computing kpt #: 206 total cpu time spent up to now is 33.0 secs Computing kpt #: 207 total cpu time spent up to now is 33.2 secs Computing kpt #: 208 total cpu time spent up to now is 33.3 secs Computing kpt #: 209 total cpu time spent up to now is 33.5 secs Computing kpt #: 210 total cpu time spent up to now is 33.6 secs Computing kpt #: 211 total cpu time spent up to now is 33.8 secs Computing kpt #: 212 total cpu time spent up to now is 34.0 secs Computing kpt #: 213 total cpu time spent up to now is 34.1 secs Computing kpt #: 214 total cpu time spent up to now is 34.3 secs Computing kpt #: 215 total cpu time spent up to now is 34.4 secs Computing kpt #: 216 total cpu time spent up to now is 34.6 secs Computing kpt #: 217 total cpu time spent up to now is 34.7 secs Computing kpt #: 218 total cpu time spent up to now is 34.9 secs Computing kpt #: 219 total cpu time spent up to now is 35.0 secs Computing kpt #: 220 total cpu time spent up to now is 35.2 secs Computing kpt #: 221 total cpu time spent up to now is 35.3 secs Computing kpt #: 222 total cpu time spent up to now is 35.5 secs Computing kpt #: 223 total cpu time spent up to now is 35.6 secs Computing kpt #: 224 total cpu time spent up to now is 35.8 secs Computing kpt #: 225 total cpu time spent up to now is 35.9 secs Computing kpt #: 226 total cpu time spent up to now is 36.1 secs Computing kpt #: 227 total cpu time spent up to now is 36.2 secs Computing kpt #: 228 total cpu time spent up to now is 36.4 secs Computing kpt #: 229 total cpu time spent up to now is 36.5 secs Computing kpt #: 230 total cpu time spent up to now is 36.7 secs Computing kpt #: 231 total cpu time spent up to now is 36.8 secs Computing kpt #: 232 total cpu time spent up to now is 37.0 secs Computing kpt #: 233 total cpu time spent up to now is 37.1 secs Computing kpt #: 234 total cpu time spent up to now is 37.3 secs Computing kpt #: 235 total cpu time spent up to now is 37.4 secs Computing kpt #: 236 total cpu time spent up to now is 37.6 secs Computing kpt #: 237 total cpu time spent up to now is 37.7 secs Computing kpt #: 238 total cpu time spent up to now is 37.9 secs Computing kpt #: 239 total cpu time spent up to now is 38.0 secs Computing kpt #: 240 total cpu time spent up to now is 38.2 secs Computing kpt #: 241 total cpu time spent up to now is 38.3 secs Computing kpt #: 242 total cpu time spent up to now is 38.5 secs Computing kpt #: 243 total cpu time spent up to now is 38.6 secs Computing kpt #: 244 total cpu time spent up to now is 38.8 secs Computing kpt #: 245 total cpu time spent up to now is 39.0 secs Computing kpt #: 246 total cpu time spent up to now is 39.1 secs Computing kpt #: 247 total cpu time spent up to now is 39.3 secs Computing kpt #: 248 total cpu time spent up to now is 39.4 secs Computing kpt #: 249 total cpu time spent up to now is 39.6 secs Computing kpt #: 250 total cpu time spent up to now is 39.7 secs Computing kpt #: 251 total cpu time spent up to now is 39.9 secs Computing kpt #: 252 total cpu time spent up to now is 40.0 secs Computing kpt #: 253 total cpu time spent up to now is 40.2 secs Computing kpt #: 254 total cpu time spent up to now is 40.3 secs Computing kpt #: 255 total cpu time spent up to now is 40.5 secs Computing kpt #: 256 total cpu time spent up to now is 40.6 secs Computing kpt #: 257 total cpu time spent up to now is 40.8 secs Computing kpt #: 258 total cpu time spent up to now is 40.9 secs Computing kpt #: 259 total cpu time spent up to now is 41.1 secs Computing kpt #: 260 total cpu time spent up to now is 41.2 secs Computing kpt #: 261 total cpu time spent up to now is 41.4 secs Computing kpt #: 262 total cpu time spent up to now is 41.5 secs Computing kpt #: 263 total cpu time spent up to now is 41.7 secs Computing kpt #: 264 total cpu time spent up to now is 41.8 secs Computing kpt #: 265 total cpu time spent up to now is 42.0 secs Computing kpt #: 266 total cpu time spent up to now is 42.1 secs Computing kpt #: 267 total cpu time spent up to now is 42.3 secs Computing kpt #: 268 total cpu time spent up to now is 42.4 secs Computing kpt #: 269 total cpu time spent up to now is 42.6 secs Computing kpt #: 270 total cpu time spent up to now is 42.7 secs Computing kpt #: 271 total cpu time spent up to now is 42.9 secs Computing kpt #: 272 total cpu time spent up to now is 43.0 secs Computing kpt #: 273 total cpu time spent up to now is 43.2 secs Computing kpt #: 274 total cpu time spent up to now is 43.4 secs Computing kpt #: 275 total cpu time spent up to now is 43.5 secs Computing kpt #: 276 total cpu time spent up to now is 43.7 secs Computing kpt #: 277 total cpu time spent up to now is 43.8 secs Computing kpt #: 278 total cpu time spent up to now is 44.0 secs Computing kpt #: 279 total cpu time spent up to now is 44.2 secs Computing kpt #: 280 total cpu time spent up to now is 44.3 secs Computing kpt #: 281 total cpu time spent up to now is 44.5 secs Computing kpt #: 282 total cpu time spent up to now is 44.6 secs Computing kpt #: 283 total cpu time spent up to now is 44.8 secs Computing kpt #: 284 total cpu time spent up to now is 44.9 secs Computing kpt #: 285 total cpu time spent up to now is 45.1 secs Computing kpt #: 286 total cpu time spent up to now is 45.2 secs Computing kpt #: 287 total cpu time spent up to now is 45.4 secs Computing kpt #: 288 total cpu time spent up to now is 45.6 secs Computing kpt #: 289 total cpu time spent up to now is 45.7 secs Computing kpt #: 290 total cpu time spent up to now is 45.9 secs Computing kpt #: 291 total cpu time spent up to now is 46.0 secs Computing kpt #: 292 total cpu time spent up to now is 46.2 secs Computing kpt #: 293 total cpu time spent up to now is 46.3 secs Computing kpt #: 294 total cpu time spent up to now is 46.5 secs Computing kpt #: 295 total cpu time spent up to now is 46.6 secs Computing kpt #: 296 total cpu time spent up to now is 46.8 secs Computing kpt #: 297 total cpu time spent up to now is 46.9 secs Computing kpt #: 298 total cpu time spent up to now is 47.1 secs Computing kpt #: 299 total cpu time spent up to now is 47.3 secs Computing kpt #: 300 total cpu time spent up to now is 47.4 secs Computing kpt #: 301 total cpu time spent up to now is 47.6 secs Computing kpt #: 302 total cpu time spent up to now is 47.7 secs Computing kpt #: 303 total cpu time spent up to now is 47.9 secs Computing kpt #: 304 total cpu time spent up to now is 48.0 secs Computing kpt #: 305 total cpu time spent up to now is 48.2 secs Computing kpt #: 306 total cpu time spent up to now is 48.3 secs Computing kpt #: 307 total cpu time spent up to now is 48.5 secs Computing kpt #: 308 total cpu time spent up to now is 48.6 secs Computing kpt #: 309 total cpu time spent up to now is 48.8 secs Computing kpt #: 310 total cpu time spent up to now is 49.0 secs Computing kpt #: 311 total cpu time spent up to now is 49.1 secs Computing kpt #: 312 total cpu time spent up to now is 49.3 secs Computing kpt #: 313 total cpu time spent up to now is 49.4 secs Computing kpt #: 314 total cpu time spent up to now is 49.6 secs Computing kpt #: 315 total cpu time spent up to now is 49.7 secs Computing kpt #: 316 total cpu time spent up to now is 49.9 secs Computing kpt #: 317 total cpu time spent up to now is 50.0 secs Computing kpt #: 318 total cpu time spent up to now is 50.2 secs Computing kpt #: 319 total cpu time spent up to now is 50.4 secs Computing kpt #: 320 total cpu time spent up to now is 50.5 secs Computing kpt #: 321 total cpu time spent up to now is 50.7 secs Computing kpt #: 322 total cpu time spent up to now is 50.8 secs Computing kpt #: 323 total cpu time spent up to now is 51.0 secs Computing kpt #: 324 total cpu time spent up to now is 51.1 secs Computing kpt #: 325 total cpu time spent up to now is 51.3 secs Computing kpt #: 326 total cpu time spent up to now is 51.4 secs Computing kpt #: 327 total cpu time spent up to now is 51.6 secs Computing kpt #: 328 total cpu time spent up to now is 51.8 secs Computing kpt #: 329 total cpu time spent up to now is 51.9 secs Computing kpt #: 330 total cpu time spent up to now is 52.1 secs Computing kpt #: 331 total cpu time spent up to now is 52.2 secs Computing kpt #: 332 total cpu time spent up to now is 52.4 secs Computing kpt #: 333 total cpu time spent up to now is 52.5 secs Computing kpt #: 334 total cpu time spent up to now is 52.7 secs Computing kpt #: 335 total cpu time spent up to now is 52.9 secs Computing kpt #: 336 total cpu time spent up to now is 53.0 secs Computing kpt #: 337 total cpu time spent up to now is 53.2 secs Computing kpt #: 338 total cpu time spent up to now is 53.3 secs Computing kpt #: 339 total cpu time spent up to now is 53.5 secs Computing kpt #: 340 total cpu time spent up to now is 53.6 secs Computing kpt #: 341 total cpu time spent up to now is 53.8 secs Computing kpt #: 342 total cpu time spent up to now is 53.9 secs Computing kpt #: 343 total cpu time spent up to now is 54.1 secs Computing kpt #: 344 total cpu time spent up to now is 54.3 secs Computing kpt #: 345 total cpu time spent up to now is 54.4 secs Computing kpt #: 346 total cpu time spent up to now is 54.6 secs Computing kpt #: 347 total cpu time spent up to now is 54.7 secs Computing kpt #: 348 total cpu time spent up to now is 54.9 secs Computing kpt #: 349 total cpu time spent up to now is 55.0 secs Computing kpt #: 350 total cpu time spent up to now is 55.2 secs Computing kpt #: 351 total cpu time spent up to now is 55.3 secs Computing kpt #: 352 total cpu time spent up to now is 55.5 secs Computing kpt #: 353 total cpu time spent up to now is 55.7 secs Computing kpt #: 354 total cpu time spent up to now is 55.9 secs Computing kpt #: 355 total cpu time spent up to now is 56.0 secs Computing kpt #: 356 total cpu time spent up to now is 56.2 secs Computing kpt #: 357 total cpu time spent up to now is 56.3 secs Computing kpt #: 358 total cpu time spent up to now is 56.5 secs Computing kpt #: 359 total cpu time spent up to now is 56.6 secs Computing kpt #: 360 total cpu time spent up to now is 56.8 secs Computing kpt #: 361 total cpu time spent up to now is 56.9 secs Computing kpt #: 362 total cpu time spent up to now is 57.1 secs Computing kpt #: 363 total cpu time spent up to now is 57.2 secs Computing kpt #: 364 total cpu time spent up to now is 57.4 secs Computing kpt #: 365 total cpu time spent up to now is 57.5 secs Computing kpt #: 366 total cpu time spent up to now is 57.7 secs Computing kpt #: 367 total cpu time spent up to now is 57.8 secs Computing kpt #: 368 total cpu time spent up to now is 58.0 secs Computing kpt #: 369 total cpu time spent up to now is 58.1 secs Computing kpt #: 370 total cpu time spent up to now is 58.3 secs Computing kpt #: 371 total cpu time spent up to now is 58.5 secs Computing kpt #: 372 total cpu time spent up to now is 58.6 secs Computing kpt #: 373 total cpu time spent up to now is 58.8 secs Computing kpt #: 374 total cpu time spent up to now is 58.9 secs Computing kpt #: 375 total cpu time spent up to now is 59.1 secs Computing kpt #: 376 total cpu time spent up to now is 59.2 secs Computing kpt #: 377 total cpu time spent up to now is 59.4 secs Computing kpt #: 378 total cpu time spent up to now is 59.5 secs Computing kpt #: 379 total cpu time spent up to now is 59.7 secs Computing kpt #: 380 total cpu time spent up to now is 59.9 secs Computing kpt #: 381 total cpu time spent up to now is 60.0 secs Computing kpt #: 382 total cpu time spent up to now is 60.2 secs Computing kpt #: 383 total cpu time spent up to now is 60.3 secs Computing kpt #: 384 total cpu time spent up to now is 60.5 secs Computing kpt #: 385 total cpu time spent up to now is 60.7 secs Computing kpt #: 386 total cpu time spent up to now is 60.8 secs Computing kpt #: 387 total cpu time spent up to now is 61.0 secs Computing kpt #: 388 total cpu time spent up to now is 61.1 secs Computing kpt #: 389 total cpu time spent up to now is 61.3 secs Computing kpt #: 390 total cpu time spent up to now is 61.4 secs Computing kpt #: 391 total cpu time spent up to now is 61.6 secs Computing kpt #: 392 total cpu time spent up to now is 61.8 secs Computing kpt #: 393 total cpu time spent up to now is 61.9 secs Computing kpt #: 394 total cpu time spent up to now is 62.1 secs Computing kpt #: 395 total cpu time spent up to now is 62.2 secs Computing kpt #: 396 total cpu time spent up to now is 62.4 secs Computing kpt #: 397 total cpu time spent up to now is 62.5 secs Computing kpt #: 398 total cpu time spent up to now is 62.7 secs Computing kpt #: 399 total cpu time spent up to now is 62.8 secs Computing kpt #: 400 total cpu time spent up to now is 63.0 secs Computing kpt #: 401 total cpu time spent up to now is 63.1 secs Computing kpt #: 402 total cpu time spent up to now is 63.3 secs Computing kpt #: 403 total cpu time spent up to now is 63.4 secs Computing kpt #: 404 total cpu time spent up to now is 63.6 secs Computing kpt #: 405 total cpu time spent up to now is 63.7 secs Computing kpt #: 406 total cpu time spent up to now is 63.9 secs Computing kpt #: 407 total cpu time spent up to now is 64.0 secs Computing kpt #: 408 total cpu time spent up to now is 64.2 secs Computing kpt #: 409 total cpu time spent up to now is 64.3 secs Computing kpt #: 410 total cpu time spent up to now is 64.5 secs Computing kpt #: 411 total cpu time spent up to now is 64.7 secs Computing kpt #: 412 total cpu time spent up to now is 64.8 secs Computing kpt #: 413 total cpu time spent up to now is 65.0 secs Computing kpt #: 414 total cpu time spent up to now is 65.1 secs Computing kpt #: 415 total cpu time spent up to now is 65.3 secs Computing kpt #: 416 total cpu time spent up to now is 65.4 secs Computing kpt #: 417 total cpu time spent up to now is 65.6 secs Computing kpt #: 418 total cpu time spent up to now is 65.7 secs Computing kpt #: 419 total cpu time spent up to now is 65.9 secs Computing kpt #: 420 total cpu time spent up to now is 66.0 secs Computing kpt #: 421 total cpu time spent up to now is 66.2 secs Computing kpt #: 422 total cpu time spent up to now is 66.3 secs Computing kpt #: 423 total cpu time spent up to now is 66.5 secs Computing kpt #: 424 total cpu time spent up to now is 66.6 secs Computing kpt #: 425 total cpu time spent up to now is 66.8 secs Computing kpt #: 426 total cpu time spent up to now is 67.0 secs Computing kpt #: 427 total cpu time spent up to now is 67.1 secs Computing kpt #: 428 total cpu time spent up to now is 67.3 secs Computing kpt #: 429 total cpu time spent up to now is 67.4 secs Computing kpt #: 430 total cpu time spent up to now is 67.6 secs Computing kpt #: 431 total cpu time spent up to now is 67.7 secs Computing kpt #: 432 total cpu time spent up to now is 67.9 secs Computing kpt #: 433 total cpu time spent up to now is 68.0 secs Computing kpt #: 434 total cpu time spent up to now is 68.2 secs Computing kpt #: 435 total cpu time spent up to now is 68.3 secs Computing kpt #: 436 total cpu time spent up to now is 68.5 secs Computing kpt #: 437 total cpu time spent up to now is 68.6 secs Computing kpt #: 438 total cpu time spent up to now is 68.8 secs Computing kpt #: 439 total cpu time spent up to now is 68.9 secs Computing kpt #: 440 total cpu time spent up to now is 69.1 secs Computing kpt #: 441 total cpu time spent up to now is 69.3 secs Computing kpt #: 442 total cpu time spent up to now is 69.4 secs Computing kpt #: 443 total cpu time spent up to now is 69.6 secs Computing kpt #: 444 total cpu time spent up to now is 69.7 secs Computing kpt #: 445 total cpu time spent up to now is 69.9 secs Computing kpt #: 446 total cpu time spent up to now is 70.0 secs Computing kpt #: 447 total cpu time spent up to now is 70.2 secs Computing kpt #: 448 total cpu time spent up to now is 70.3 secs Computing kpt #: 449 total cpu time spent up to now is 70.5 secs Computing kpt #: 450 total cpu time spent up to now is 70.6 secs Computing kpt #: 451 total cpu time spent up to now is 70.8 secs Computing kpt #: 452 total cpu time spent up to now is 70.9 secs Computing kpt #: 453 total cpu time spent up to now is 71.1 secs Computing kpt #: 454 total cpu time spent up to now is 71.2 secs Computing kpt #: 455 total cpu time spent up to now is 71.4 secs Computing kpt #: 456 total cpu time spent up to now is 71.5 secs Computing kpt #: 457 total cpu time spent up to now is 71.7 secs Computing kpt #: 458 total cpu time spent up to now is 71.8 secs Computing kpt #: 459 total cpu time spent up to now is 72.0 secs Computing kpt #: 460 total cpu time spent up to now is 72.1 secs Computing kpt #: 461 total cpu time spent up to now is 72.3 secs Computing kpt #: 462 total cpu time spent up to now is 72.5 secs ethr = 3.13E-08, avg # of iterations = 8.6 total cpu time spent up to now is 72.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2019 PWs) bands (ev): -13.2709 -13.2709 -10.2473 -10.2473 -6.2718 -6.2718 -6.0579 -6.0579 -4.4101 -4.4101 -3.7202 -3.7202 -2.5151 -2.5151 -1.2148 -1.2148 -0.6371 -0.6371 0.0646 0.0646 0.3401 0.3401 1.0425 1.0425 4.1385 4.1385 4.6902 4.6902 5.5762 5.5762 7.0258 7.0258 7.5649 7.5649 8.1768 8.1768 8.3850 8.3850 9.9655 9.9655 k = 0.0073 0.0084-0.0000 ( 2015 PWs) bands (ev): -13.2698 -13.2698 -10.2465 -10.2465 -6.3361 -6.3361 -5.9920 -5.9920 -4.4097 -4.4097 -3.7305 -3.7305 -2.5038 -2.5038 -1.2317 -1.2317 -0.6211 -0.6211 0.0457 0.0457 0.3571 0.3571 1.0405 1.0405 4.1396 4.1396 4.6919 4.6919 5.5759 5.5759 7.0280 7.0280 7.5603 7.5603 8.1741 8.1741 8.3862 8.3862 9.9647 9.9647 k = 0.0145 0.0168-0.0000 ( 2019 PWs) bands (ev): -13.2666 -13.2666 -10.2441 -10.2441 -6.4519 -6.4519 -5.8719 -5.8719 -4.4085 -4.4085 -3.7605 -3.7605 -2.4711 -2.4711 -1.2774 -1.2774 -0.5777 -0.5777 -0.0017 -0.0017 0.3983 0.3983 1.0346 1.0346 4.1429 4.1429 4.6969 4.6969 5.5750 5.5750 7.0347 7.0347 7.5467 7.5467 8.1652 8.1652 8.3898 8.3898 9.9622 9.9622 k = 0.0218 0.0253-0.0000 ( 2027 PWs) bands (ev): -13.2613 -13.2613 -10.2402 -10.2402 -6.5764 -6.5764 -5.7401 -5.7401 -4.4066 -4.4066 -3.8074 -3.8074 -2.4199 -2.4199 -1.3429 -1.3429 -0.5163 -0.5163 -0.0637 -0.0637 0.4502 0.4502 1.0247 1.0247 4.1484 4.1484 4.7052 4.7052 5.5735 5.5735 7.0457 7.0457 7.5241 7.5241 8.1507 8.1507 8.3959 8.3959 9.9580 9.9580 k = 0.0291 0.0337-0.0000 ( 2033 PWs) bands (ev): -13.2538 -13.2538 -10.2347 -10.2347 -6.7024 -6.7024 -5.6038 -5.6038 -4.4040 -4.4040 -3.8674 -3.8674 -2.3536 -2.3536 -1.4205 -1.4205 -0.4444 -0.4444 -0.1332 -0.1332 0.5054 0.5054 1.0111 1.0111 4.1561 4.1561 4.7168 4.7168 5.5715 5.5715 7.0611 7.0611 7.4927 7.4927 8.1308 8.1308 8.4043 8.4043 9.9522 9.9522 k = 0.0363 0.0421-0.0000 ( 2033 PWs) bands (ev): -13.2441 -13.2441 -10.2277 -10.2277 -6.8282 -6.8282 -5.4649 -5.4649 -4.4006 -4.4006 -3.9375 -3.9375 -2.2756 -2.2756 -1.5052 -1.5052 -0.3669 -0.3669 -0.2067 -0.2067 0.5604 0.5604 0.9938 0.9938 4.1660 4.1660 4.7319 4.7319 5.5690 5.5690 7.0806 7.0806 7.4531 7.4531 8.1059 8.1059 8.4152 8.4152 9.9448 9.9448 k = 0.0436 0.0505-0.0000 ( 2033 PWs) bands (ev): -13.2323 -13.2323 -10.2190 -10.2190 -6.9530 -6.9530 -5.3240 -5.3240 -4.3966 -4.3966 -4.0147 -4.0147 -2.1885 -2.1885 -1.5944 -1.5944 -0.2868 -0.2868 -0.2827 -0.2827 0.6138 0.6138 0.9729 0.9729 4.1780 4.1780 4.7502 4.7502 5.5660 5.5660 7.1041 7.1041 7.4053 7.4053 8.0764 8.0764 8.4286 8.4286 9.9358 9.9358 k = 0.0509 0.0590-0.0000 ( 2033 PWs) bands (ev): -13.2184 -13.2184 -10.2089 -10.2089 -7.0765 -7.0765 -5.1816 -5.1816 -4.3920 -4.3920 -4.0971 -4.0971 -2.0947 -2.0947 -1.6864 -1.6864 -0.3605 -0.3605 -0.2056 -0.2056 0.6645 0.6645 0.9487 0.9487 4.1920 4.1920 4.7719 4.7719 5.5627 5.5627 7.1314 7.1314 7.3499 7.3499 8.0430 8.0430 8.4444 8.4444 9.9251 9.9251 k = 0.0581 0.0674-0.0000 ( 2031 PWs) bands (ev): -13.2023 -13.2023 -10.1972 -10.1972 -7.1986 -7.1986 -5.0378 -5.0378 -4.3868 -4.3868 -4.1830 -4.1830 -1.9955 -1.9955 -1.7801 -1.7801 -0.4392 -0.4392 -0.1246 -0.1246 0.7118 0.7118 0.9213 0.9213 4.2079 4.2079 4.7970 4.7970 5.5592 5.5592 7.1623 7.1623 7.2875 7.2875 8.0061 8.0061 8.4627 8.4627 9.9130 9.9130 k = 0.0654 0.0758-0.0000 ( 2035 PWs) bands (ev): -13.1841 -13.1841 -10.1840 -10.1840 -7.3192 -7.3192 -4.8928 -4.8928 -4.3812 -4.3812 -4.2714 -4.2714 -1.8924 -1.8924 -1.8748 -1.8748 -0.5187 -0.5187 -0.0446 -0.0446 0.7550 0.7550 0.8908 0.8908 4.2256 4.2256 4.8254 4.8254 5.5555 5.5555 7.1964 7.1964 7.2186 7.2186 7.9664 7.9664 8.4834 8.4834 9.8993 9.8993 k = 0.0727 0.0842-0.0000 ( 2039 PWs) bands (ev): -13.1638 -13.1638 -10.1692 -10.1692 -7.4382 -7.4382 -4.7466 -4.7466 -4.3753 -4.3753 -4.3612 -4.3612 -1.9700 -1.9700 -1.7860 -1.7860 -0.5985 -0.5985 0.0339 0.0339 0.7937 0.7937 0.8576 0.8576 4.2449 4.2449 4.8571 4.8571 5.5518 5.5518 7.1438 7.1438 7.2336 7.2336 7.9244 7.9244 8.5066 8.5066 9.8840 9.8840 k = 0.0799 0.0927-0.0000 ( 2043 PWs) bands (ev): -13.1413 -13.1413 -10.1530 -10.1530 -7.5555 -7.5555 -4.5995 -4.5995 -4.4521 -4.4521 -4.3691 -4.3691 -2.0653 -2.0653 -1.6771 -1.6771 -0.6783 -0.6783 0.1105 0.1105 0.8219 0.8219 0.8276 0.8276 4.2656 4.2656 4.8923 4.8923 5.5482 5.5482 7.0641 7.0641 7.2735 7.2735 7.8810 7.8810 8.5324 8.5324 9.8673 9.8673 k = 0.0872 0.1011-0.0000 ( 2039 PWs) bands (ev): -13.1167 -13.1167 -10.1353 -10.1353 -7.6711 -7.6711 -4.5433 -4.5433 -4.4513 -4.4513 -4.3628 -4.3628 -2.1604 -2.1604 -1.5663 -1.5663 -0.7578 -0.7578 0.1848 0.1848 0.7840 0.7840 0.8562 0.8562 4.2873 4.2873 4.9308 4.9308 5.5449 5.5449 6.9802 6.9802 7.3159 7.3159 7.8367 7.8367 8.5606 8.5606 9.8492 9.8492 k = 0.0945 0.1095-0.0000 ( 2041 PWs) bands (ev): -13.0900 -13.0900 -10.1161 -10.1161 -7.7850 -7.7850 -4.6345 -4.6345 -4.3565 -4.3565 -4.3025 -4.3025 -2.2552 -2.2552 -1.4539 -1.4539 -0.8369 -0.8369 0.2564 0.2564 0.7440 0.7440 0.8792 0.8792 4.3096 4.3096 4.9727 4.9727 5.5419 5.5419 6.8929 6.8929 7.3605 7.3605 7.7920 7.7920 8.5913 8.5913 9.8297 9.8297 k = 0.1017 0.1179-0.0000 ( 2039 PWs) bands (ev): -13.0612 -13.0612 -10.0954 -10.0954 -7.8971 -7.8971 -4.7255 -4.7255 -4.3504 -4.3504 -4.1530 -4.1530 -2.3494 -2.3494 -1.3403 -1.3403 -0.9151 -0.9151 0.3252 0.3252 0.7023 0.7023 0.8964 0.8964 4.3321 4.3321 5.0180 5.0180 5.5395 5.5395 6.8036 6.8036 7.4071 7.4071 7.7477 7.7477 8.6245 8.6245 9.8089 9.8089 k = 0.1090 0.1264-0.0000 ( 2041 PWs) bands (ev): -13.0302 -13.0302 -10.0733 -10.0733 -8.0074 -8.0074 -4.8160 -4.8160 -4.3447 -4.3447 -4.0030 -4.0030 -2.4429 -2.4429 -1.2258 -1.2258 -0.9925 -0.9925 0.3908 0.3908 0.6592 0.6592 0.9074 0.9074 4.3539 4.3539 5.0666 5.0666 5.5376 5.5376 6.7132 6.7132 7.4552 7.4552 7.7043 7.7043 8.6601 8.6601 9.7867 9.7867 k = 0.1163 0.1348-0.0000 ( 2047 PWs) bands (ev): -12.9971 -12.9971 -10.0499 -10.0499 -8.1159 -8.1159 -4.9058 -4.9058 -4.3396 -4.3396 -3.8526 -3.8526 -2.5355 -2.5355 -1.1106 -1.1106 -1.0687 -1.0687 0.4532 0.4532 0.6148 0.6148 0.9121 0.9121 4.3743 4.3743 5.1186 5.1186 5.5365 5.5365 6.6232 6.6232 7.5046 7.5046 7.6621 7.6621 8.6981 8.6981 9.7632 9.7632 k = 0.1235 0.1432-0.0000 ( 2047 PWs) bands (ev): -12.9620 -12.9620 -10.0250 -10.0250 -8.2226 -8.2226 -4.9948 -4.9948 -4.3352 -4.3352 -3.7019 -3.7019 -2.6270 -2.6270 -1.1434 -1.1434 -0.9948 -0.9948 0.5121 0.5121 0.5697 0.5697 0.9104 0.9104 4.3921 4.3921 5.1740 5.1740 5.5361 5.5361 6.5350 6.5350 7.5552 7.5552 7.6218 7.6218 8.7385 8.7385 9.7386 9.7386 k = 0.1308 0.1516-0.0000 ( 2047 PWs) bands (ev): -12.9247 -12.9247 -9.9988 -9.9988 -8.3274 -8.3274 -5.0828 -5.0828 -4.3319 -4.3319 -3.5512 -3.5512 -2.7174 -2.7174 -1.2163 -1.2163 -0.8787 -0.8787 0.5239 0.5239 0.5675 0.5675 0.9022 0.9022 4.4062 4.4062 5.2329 5.2329 5.5364 5.5364 6.4504 6.4504 7.5837 7.5837 7.6067 7.6067 8.7812 8.7812 9.7128 9.7128 k = 0.1381 0.1601-0.0000 ( 2055 PWs) bands (ev): -12.8853 -12.8853 -9.9713 -9.9713 -8.4304 -8.4304 -5.1699 -5.1699 -4.3299 -4.3299 -3.4006 -3.4006 -2.8066 -2.8066 -1.2874 -1.2874 -0.7625 -0.7625 0.4779 0.4779 0.6190 0.6190 0.8875 0.8875 4.4149 4.4149 5.2950 5.2950 5.5373 5.5373 6.3713 6.3713 7.5484 7.5484 7.6586 7.6586 8.8260 8.8260 9.6859 9.6859 k = 0.1453 0.1685-0.0000 ( 2043 PWs) bands (ev): -12.8439 -12.8439 -9.9424 -9.9424 -8.5314 -8.5314 -5.2558 -5.2558 -4.3295 -4.3295 -3.2502 -3.2502 -2.8945 -2.8945 -1.3561 -1.3561 -0.6461 -0.6461 0.4322 0.4322 0.6668 0.6668 0.8664 0.8664 4.4166 4.4166 5.3606 5.3606 5.5388 5.5388 6.2998 6.2998 7.5161 7.5161 7.7112 7.7112 8.8730 8.8730 9.6580 9.6580 k = 0.1526 0.1769-0.0000 ( 2047 PWs) bands (ev): -12.8003 -12.8003 -9.9123 -9.9123 -8.6306 -8.6306 -5.3405 -5.3405 -4.3310 -4.3310 -3.1007 -3.1007 -2.9809 -2.9809 -1.4222 -1.4222 -0.5301 -0.5301 0.3869 0.3869 0.7106 0.7106 0.8390 0.8390 4.4094 4.4094 5.4294 5.4294 5.5407 5.5407 6.2380 6.2380 7.4872 7.4872 7.7639 7.7639 8.9220 8.9220 9.6290 9.6290 k = 0.1599 0.1853-0.0000 ( 2039 PWs) bands (ev): -12.7547 -12.7547 -9.8810 -9.8810 -8.7279 -8.7279 -5.4239 -5.4239 -4.3347 -4.3347 -3.0658 -3.0658 -2.9520 -2.9520 -1.4855 -1.4855 -0.4142 -0.4142 0.3426 0.3426 0.7504 0.7504 0.8057 0.8057 4.3917 4.3917 5.5017 5.5017 5.5427 5.5427 6.1881 6.1881 7.4621 7.4621 7.8168 7.8168 8.9727 8.9727 9.5991 9.5991 k = 0.1671 0.1938-0.0000 ( 2047 PWs) bands (ev): -12.7070 -12.7070 -9.8485 -9.8485 -8.8232 -8.8232 -5.5059 -5.5059 -4.3411 -4.3411 -3.1492 -3.1492 -2.8047 -2.8047 -1.5457 -1.5457 -0.2988 -0.2988 0.2995 0.2995 0.7665 0.7665 0.7863 0.7863 4.3621 4.3621 5.5443 5.5443 5.5771 5.5771 6.1514 6.1514 7.4410 7.4410 7.8695 7.8695 9.0251 9.0251 9.5682 9.5682 k = 0.1744 0.2022-0.0000 ( 2043 PWs) bands (ev): -12.6573 -12.6573 -9.8149 -9.8149 -8.9166 -8.9166 -5.5866 -5.5866 -4.3505 -4.3505 -3.2308 -3.2308 -2.6592 -2.6592 -1.6025 -1.6025 -0.1838 -0.1838 0.2583 0.2583 0.7220 0.7220 0.8180 0.8180 4.3197 4.3197 5.5455 5.5455 5.6560 5.6560 6.1293 6.1293 7.4242 7.4242 7.9222 7.9222 9.0791 9.0791 9.5366 9.5366 k = 0.1817 0.2106-0.0000 ( 2039 PWs) bands (ev): -12.6055 -12.6055 -9.7801 -9.7801 -9.0081 -9.0081 -5.6658 -5.6658 -4.3632 -4.3632 -3.3106 -3.3106 -2.5159 -2.5159 -1.6555 -1.6555 -0.0694 -0.0694 0.2196 0.2196 0.6725 0.6725 0.8456 0.8456 4.2646 4.2646 5.5457 5.5457 5.7380 5.7380 6.1219 6.1219 7.4120 7.4120 7.9748 7.9748 9.1344 9.1344 9.5042 9.5042 k = 0.1889 0.2190-0.0000 ( 2043 PWs) bands (ev): -12.5516 -12.5516 -9.7443 -9.7443 -9.0976 -9.0976 -5.7436 -5.7436 -4.3795 -4.3795 -3.3887 -3.3887 -2.3756 -2.3756 -1.7047 -1.7047 0.0442 0.0442 0.1840 0.1840 0.6185 0.6185 0.8690 0.8690 4.1974 4.1974 5.5445 5.5445 5.8232 5.8232 6.1288 6.1288 7.4046 7.4046 8.0270 8.0270 9.1908 9.1908 9.4710 9.4710 k = 0.1962 0.2275-0.0000 ( 2043 PWs) bands (ev): -12.4958 -12.4958 -9.7076 -9.7076 -9.1853 -9.1853 -5.8199 -5.8199 -4.4000 -4.4000 -3.4649 -3.4649 -2.2391 -2.2391 -1.7496 -1.7496 0.1524 0.1524 0.1573 0.1573 0.5605 0.5605 0.8882 0.8882 4.1192 4.1192 5.5414 5.5414 5.9115 5.9115 6.1492 6.1492 7.4024 7.4024 8.0790 8.0790 9.2482 9.2482 9.4372 9.4372 k = 0.2035 0.2359-0.0000 ( 2047 PWs) bands (ev): -12.4379 -12.4379 -9.6699 -9.6699 -9.2708 -9.2708 -5.8946 -5.8946 -4.4247 -4.4247 -3.5391 -3.5391 -2.1073 -2.1073 -1.7902 -1.7902 0.1260 0.1260 0.2691 0.2691 0.4989 0.4989 0.9031 0.9031 4.0319 4.0319 5.5361 5.5361 6.0028 6.0028 6.1815 6.1815 7.4051 7.4051 8.1305 8.1305 9.3064 9.3064 9.4028 9.4028 k = 0.2107 0.2443-0.0000 ( 2043 PWs) bands (ev): -12.3780 -12.3780 -9.6312 -9.6312 -9.3544 -9.3544 -5.9678 -5.9678 -4.4541 -4.4541 -3.6113 -3.6113 -1.9814 -1.9814 -1.8263 -1.8263 0.1056 0.1056 0.3802 0.3802 0.4346 0.4346 0.9138 0.9138 3.9371 3.9371 5.5281 5.5281 6.0972 6.0972 6.2243 6.2243 7.4132 7.4132 8.1816 8.1816 9.3652 9.3652 9.3678 9.3678 k = 0.2180 0.2527-0.0000 ( 2043 PWs) bands (ev): -12.3161 -12.3161 -9.5918 -9.5918 -9.4360 -9.4360 -6.0393 -6.0393 -4.4884 -4.4884 -3.6813 -3.6813 -1.8628 -1.8628 -1.8577 -1.8577 0.0927 0.0927 0.3677 0.3677 0.4901 0.4901 0.9201 0.9201 3.8365 3.8365 5.5171 5.5171 6.1945 6.1945 6.2760 6.2760 7.4265 7.4265 8.2322 8.2322 9.3324 9.3324 9.4244 9.4244 k = 0.2253 0.2612-0.0000 ( 2043 PWs) bands (ev): -12.2522 -12.2522 -9.5516 -9.5516 -9.5156 -9.5156 -6.1093 -6.1093 -4.5278 -4.5278 -3.7492 -3.7492 -1.8846 -1.8846 -1.7529 -1.7529 0.0889 0.0889 0.2991 0.2991 0.5988 0.5988 0.9219 0.9219 3.7317 3.7317 5.5028 5.5028 6.2947 6.2947 6.3352 6.3352 7.4450 7.4450 8.2824 8.2824 9.2965 9.2965 9.4838 9.4838 k = 0.2325 0.2696-0.0000 ( 2043 PWs) bands (ev): -12.1863 -12.1863 -9.5933 -9.5933 -9.5107 -9.5107 -6.1776 -6.1776 -4.5723 -4.5723 -3.8149 -3.8149 -1.9070 -1.9070 -1.6534 -1.6534 0.0956 0.0956 0.2294 0.2294 0.7064 0.7064 0.9192 0.9192 3.6243 3.6243 5.4851 5.4851 6.3974 6.3974 6.4010 6.4010 7.4687 7.4687 8.3320 8.3320 9.2603 9.2603 9.5434 9.5434 k = 0.2398 0.2780-0.0000 ( 2045 PWs) bands (ev): -12.1185 -12.1185 -9.6689 -9.6689 -9.4692 -9.4692 -6.2442 -6.2442 -4.6221 -4.6221 -3.8784 -3.8784 -1.9250 -1.9250 -1.5660 -1.5660 0.1145 0.1145 0.1590 0.1590 0.8125 0.8125 0.9118 0.9118 3.5155 3.5155 5.4636 5.4636 6.4715 6.4715 6.5031 6.5031 7.4973 7.4973 8.3811 8.3811 9.2238 9.2238 9.6029 9.6029 k = 0.2471 0.2864-0.0000 ( 2041 PWs) bands (ev): -12.0487 -12.0487 -9.7424 -9.7424 -9.4272 -9.4272 -6.3092 -6.3092 -4.6772 -4.6772 -3.9395 -3.9395 -1.9389 -1.9389 -1.4918 -1.4918 0.0887 0.0887 0.1469 0.1469 0.8996 0.8996 0.9174 0.9174 3.4064 3.4064 5.4384 5.4384 6.5466 6.5466 6.6111 6.6111 7.5307 7.5307 8.4295 8.4295 9.1870 9.1870 9.6623 9.6623 k = 0.2543 0.2949-0.0000 ( 2033 PWs) bands (ev): -11.9770 -11.9770 -9.8140 -9.8140 -9.3847 -9.3847 -6.3725 -6.3725 -4.7373 -4.7373 -3.9982 -3.9982 -1.9490 -1.9490 -1.4318 -1.4318 0.0192 0.0192 0.1934 0.1934 0.8824 0.8824 1.0208 1.0208 3.2983 3.2983 5.4096 5.4096 6.6253 6.6253 6.7215 6.7215 7.5685 7.5685 8.4774 8.4774 9.1501 9.1501 9.7216 9.7216 k = 0.2616 0.3033-0.0000 ( 2031 PWs) bands (ev): -11.9034 -11.9034 -9.8835 -9.8835 -9.3418 -9.3418 -6.4341 -6.4341 -4.8026 -4.8026 -4.0545 -4.0545 -1.9557 -1.9557 -1.3859 -1.3859 -0.0492 -0.0492 0.2540 0.2540 0.8601 0.8601 1.1227 1.1227 3.1920 3.1920 5.3771 5.3771 6.7067 6.7067 6.8340 6.8340 7.6103 7.6103 8.5246 8.5246 9.1130 9.1130 9.7804 9.7804 k = 0.2689 0.3117-0.0000 ( 2027 PWs) bands (ev): -11.8279 -11.8279 -9.9510 -9.9510 -9.2986 -9.2986 -6.4939 -6.4939 -4.8727 -4.8727 -4.1082 -4.1082 -1.9594 -1.9594 -1.3533 -1.3533 -0.1156 -0.1156 0.3279 0.3279 0.8325 0.8325 1.2229 1.2229 3.0884 3.0884 5.3411 5.3411 6.7904 6.7904 6.9486 6.9486 7.6559 7.6559 8.5709 8.5709 9.0758 9.0758 9.8388 9.8388 k = 0.2761 0.3201-0.0000 ( 2027 PWs) bands (ev): -11.7506 -11.7506 -10.0165 -10.0165 -9.2553 -9.2553 -6.5520 -6.5520 -4.9476 -4.9476 -4.1594 -4.1594 -1.9608 -1.9608 -1.3329 -1.3329 -0.1796 -0.1796 0.4136 0.4136 0.7994 0.7994 1.3214 1.3214 2.9883 2.9883 5.3018 5.3018 6.8758 6.8758 7.0651 7.0651 7.7048 7.7048 8.6164 8.6164 9.0387 9.0387 9.8968 9.8968 k = 0.2834 0.3286-0.0000 ( 2027 PWs) bands (ev): -11.6713 -11.6713 -10.0799 -10.0799 -9.2118 -9.2118 -6.6083 -6.6083 -5.0270 -5.0270 -4.2081 -4.2081 -1.9603 -1.9603 -1.3228 -1.3228 -0.2404 -0.2404 0.5092 0.5092 0.7607 0.7607 1.4182 1.4182 2.8923 2.8923 5.2592 5.2592 6.9623 6.9623 7.1831 7.1831 7.7566 7.7566 8.6610 8.6610 9.0017 9.0017 9.9543 9.9543 k = 0.2907 0.3370-0.0000 ( 2039 PWs) bands (ev): -11.5903 -11.5903 -10.1412 -10.1412 -9.1684 -9.1684 -6.6629 -6.6629 -5.1106 -5.1106 -4.2542 -4.2542 -1.9587 -1.9587 -1.3214 -1.3214 -0.2976 -0.2976 0.6129 0.6129 0.7165 0.7165 1.5130 1.5130 2.8009 2.8009 5.2135 5.2135 7.0496 7.0496 7.3026 7.3026 7.8110 7.8110 8.7047 8.7047 8.9648 8.9648 10.0112 10.0112 k = 0.2979 0.3454-0.0000 ( 2045 PWs) bands (ev): -11.5074 -11.5074 -10.2006 -10.2006 -9.1251 -9.1251 -6.7157 -6.7157 -5.1983 -5.1983 -4.2976 -4.2976 -1.9565 -1.9565 -1.3269 -1.3269 -0.3503 -0.3503 0.6667 0.6667 0.7230 0.7230 1.6060 1.6060 2.7148 2.7148 5.1651 5.1651 7.1374 7.1374 7.4233 7.4233 7.8675 7.8675 8.7472 8.7472 8.9282 8.9282 10.0676 10.0676 k = 0.3052 0.3538-0.0000 ( 2041 PWs) bands (ev): -11.4228 -11.4228 -10.2578 -10.2578 -9.0820 -9.0820 -6.7667 -6.7667 -5.2897 -5.2897 -4.3383 -4.3383 -1.9542 -1.9542 -1.3378 -1.3378 -0.3981 -0.3981 0.6115 0.6115 0.8377 0.8377 1.6970 1.6970 2.6340 2.6340 5.1142 5.1142 7.2252 7.2252 7.5449 7.5449 7.9259 7.9259 8.7887 8.7887 8.8920 8.8920 10.1235 10.1235 k = 0.3125 0.3623-0.0000 ( 2041 PWs) bands (ev): -11.3364 -11.3364 -10.3130 -10.3130 -9.0393 -9.0393 -6.8159 -6.8159 -5.3847 -5.3847 -4.3763 -4.3763 -1.9527 -1.9527 -1.3529 -1.3529 -0.4405 -0.4405 0.5512 0.5512 0.9555 0.9555 1.7860 1.7860 2.5589 2.5589 5.0610 5.0610 7.3128 7.3128 7.6671 7.6671 7.9856 7.9856 8.8290 8.8290 8.8563 8.8563 10.1789 10.1789 k = 0.3197 0.3707-0.0000 ( 2049 PWs) bands (ev): -11.2483 -11.2483 -10.3662 -10.3662 -8.9970 -8.9970 -6.8634 -6.8634 -5.4830 -5.4830 -4.4115 -4.4115 -1.9525 -1.9525 -1.3711 -1.3711 -0.4769 -0.4769 0.4859 0.4859 1.0752 1.0752 1.8729 1.8729 2.4895 2.4895 5.0058 5.0058 7.3998 7.3998 7.7895 7.7895 8.0464 8.0464 8.8210 8.8210 8.8680 8.8680 10.2337 10.2337 k = 0.3270 0.3791-0.0000 ( 2043 PWs) bands (ev): -11.1584 -11.1584 -10.4172 -10.4172 -8.9552 -8.9552 -6.9090 -6.9090 -5.5842 -5.5842 -4.4440 -4.4440 -1.9540 -1.9540 -1.3915 -1.3915 -0.5071 -0.5071 0.4161 0.4161 1.1960 1.1960 1.9578 1.9578 2.4257 2.4257 4.9488 4.9488 7.4860 7.4860 7.9119 7.9119 8.1080 8.1080 8.7868 8.7868 8.9056 8.9056 10.2881 10.2881 k = 0.3343 0.3875-0.0000 ( 2043 PWs) bands (ev): -11.0670 -11.0670 -10.4662 -10.4662 -8.9141 -8.9141 -6.9528 -6.9528 -5.6883 -5.6883 -4.4738 -4.4738 -1.9576 -1.9576 -1.4135 -1.4135 -0.5307 -0.5307 0.3424 0.3424 1.3168 1.3168 2.0401 2.0401 2.3675 2.3675 4.8903 4.8903 7.5709 7.5709 8.0333 8.0333 8.1699 8.1699 8.7538 8.7538 8.9417 8.9417 10.3420 10.3420 k = 0.3415 0.3960-0.0000 ( 2041 PWs) bands (ev): -10.9739 -10.9739 -10.5131 -10.5131 -8.8739 -8.8739 -6.9947 -6.9947 -5.7949 -5.7949 -4.5008 -4.5008 -1.9637 -1.9637 -1.4365 -1.4365 -0.5477 -0.5477 0.2654 0.2654 1.4370 1.4370 2.1200 2.1200 2.3144 2.3144 4.8306 4.8306 7.6546 7.6546 8.1530 8.1530 8.2318 8.2318 8.7226 8.7226 8.9763 8.9763 10.3954 10.3954 k = 0.3488 0.4044-0.0000 ( 2041 PWs) bands (ev): -10.8793 -10.8793 -10.5579 -10.5579 -8.8345 -8.8345 -7.0348 -7.0348 -5.9037 -5.9037 -4.5251 -4.5251 -1.9723 -1.9723 -1.4601 -1.4601 -0.5581 -0.5581 0.1857 0.1857 1.5556 1.5556 2.1975 2.1975 2.2663 2.2663 4.7701 4.7701 7.7365 7.7365 8.2692 8.2692 8.2935 8.2935 8.6948 8.6948 9.0093 9.0093 10.4482 10.4482 k = 0.3561 0.4128-0.0000 ( 2037 PWs) bands (ev): -10.7831 -10.7831 -10.6006 -10.6006 -8.7962 -8.7962 -7.0730 -7.0730 -6.0147 -6.0147 -4.5467 -4.5467 -1.9835 -1.9835 -1.4839 -1.4839 -0.5623 -0.5623 0.1041 0.1041 1.6723 1.6723 2.2227 2.2227 2.2724 2.2724 4.7089 4.7089 7.8166 7.8166 8.3543 8.3543 8.3781 8.3781 8.6742 8.6742 9.0407 9.0407 10.5005 10.5005 k = 0.3633 0.4212-0.0000 ( 2037 PWs) bands (ev): -10.6855 -10.6855 -10.6412 -10.6412 -8.7591 -8.7591 -7.1094 -7.1094 -6.1275 -6.1275 -4.5657 -4.5657 -1.9969 -1.9969 -1.5077 -1.5077 -0.5605 -0.5605 0.0211 0.0211 1.7864 1.7864 2.1834 2.1834 2.3446 2.3446 4.6475 4.6475 7.8944 7.8944 8.4146 8.4146 8.4663 8.4663 8.6734 8.6734 9.0704 9.0704 10.5521 10.5521 k = 0.3706 0.4297-0.0000 ( 2039 PWs) bands (ev): -10.6797 -10.6797 -10.5864 -10.5864 -8.7232 -8.7232 -7.1440 -7.1440 -6.2419 -6.2419 -4.5822 -4.5822 -2.0125 -2.0125 -1.5310 -1.5310 -0.5533 -0.5533 -0.0624 -0.0624 1.8974 1.8974 2.1479 2.1479 2.4140 2.4140 4.5861 4.5861 7.9699 7.9699 8.4736 8.4736 8.5077 8.5077 8.7182 8.7182 9.0984 9.0984 10.6031 10.6031 k = 0.3779 0.4381-0.0000 ( 2039 PWs) bands (ev): -10.7162 -10.7162 -10.4861 -10.4861 -8.6886 -8.6886 -7.1767 -7.1767 -6.3576 -6.3576 -4.5962 -4.5962 -2.0297 -2.0297 -1.5539 -1.5539 -0.5413 -0.5413 -0.1458 -0.1458 2.0050 2.0050 2.1159 2.1159 2.4806 2.4806 4.5250 4.5250 8.0428 8.0428 8.5061 8.5061 8.5313 8.5313 8.8048 8.8048 9.1246 9.1246 10.6531 10.6531 k = 0.3851 0.4465-0.0000 ( 2043 PWs) bands (ev): -10.7505 -10.7505 -10.3845 -10.3845 -8.6556 -8.6556 -7.2076 -7.2076 -6.4746 -6.4746 -4.6078 -4.6078 -2.0483 -2.0483 -1.5761 -1.5761 -0.5252 -0.5252 -0.2285 -0.2285 2.0869 2.0869 2.1090 2.1090 2.5441 2.5441 4.4647 4.4647 8.1128 8.1128 8.4882 8.4882 8.5873 8.5873 8.9058 8.9058 9.1491 9.1491 10.7024 10.7024 k = 0.3924 0.4549-0.0000 ( 2037 PWs) bands (ev): -10.7828 -10.7828 -10.2817 -10.2817 -8.6241 -8.6241 -7.2365 -7.2365 -6.5924 -6.5924 -4.6171 -4.6171 -2.0676 -2.0676 -1.5973 -1.5973 -0.5057 -0.5057 -0.3098 -0.3098 2.0612 2.0612 2.2085 2.2085 2.6048 2.6048 4.4053 4.4053 8.1799 8.1799 8.4657 8.4657 8.6414 8.6414 9.0097 9.0097 9.1720 9.1720 10.7505 10.7505 k = 0.3997 0.4634-0.0000 ( 2045 PWs) bands (ev): -10.8129 -10.8129 -10.1779 -10.1779 -8.5943 -8.5943 -7.2636 -7.2636 -6.7109 -6.7109 -4.6244 -4.6244 -2.0875 -2.0875 -1.6176 -1.6176 -0.4836 -0.4836 -0.3892 -0.3892 2.0379 2.0379 2.3033 2.3033 2.6620 2.6620 4.3473 4.3473 8.2436 8.2436 8.4420 8.4420 8.6931 8.6931 9.1121 9.1121 9.1930 9.1930 10.7972 10.7972 k = 0.4069 0.4718-0.0000 ( 2048 PWs) bands (ev): -10.8410 -10.8410 -10.0732 -10.0732 -8.5662 -8.5662 -7.2889 -7.2889 -6.8298 -6.8298 -4.6298 -4.6298 -2.1075 -2.1075 -1.6368 -1.6368 -0.4661 -0.4661 -0.4592 -0.4592 2.0170 2.0170 2.3931 2.3931 2.7158 2.7158 4.2912 4.2912 8.3039 8.3039 8.4183 8.4183 8.7424 8.7424 9.2097 9.2097 9.2140 9.2140 10.8424 10.8424 k = 0.4142 0.4802-0.0000 ( 2052 PWs) bands (ev): -10.8670 -10.8670 -9.9679 -9.9679 -8.5400 -8.5400 -7.3122 -7.3122 -6.9488 -6.9488 -4.6335 -4.6335 -2.1271 -2.1271 -1.6549 -1.6549 -0.5394 -0.5394 -0.4340 -0.4340 1.9984 1.9984 2.4775 2.4775 2.7662 2.7662 4.2371 4.2371 8.3605 8.3605 8.3954 8.3954 8.7890 8.7890 9.2297 9.2297 9.3069 9.3069 10.8858 10.8858 k = 0.4215 0.4886-0.0000 ( 2050 PWs) bands (ev): -10.8909 -10.8909 -9.8620 -9.8620 -8.5157 -8.5157 -7.3336 -7.3336 -7.0675 -7.0675 -4.6356 -4.6356 -2.1461 -2.1461 -1.6717 -1.6717 -0.6092 -0.6092 -0.4080 -0.4080 1.9818 1.9818 2.5564 2.5564 2.8131 2.8131 4.1857 4.1857 8.3735 8.3735 8.4135 8.4135 8.8328 8.8328 9.2457 9.2457 9.3973 9.3973 10.9272 10.9272 k = 0.4287 0.4971-0.0000 ( 2050 PWs) bands (ev): -10.9126 -10.9126 -9.7560 -9.7560 -8.4934 -8.4934 -7.3532 -7.3532 -7.1856 -7.1856 -4.6364 -4.6364 -2.1641 -2.1641 -1.6871 -1.6871 -0.6748 -0.6748 -0.3819 -0.3819 1.9671 1.9671 2.6291 2.6291 2.8563 2.8563 4.1372 4.1372 8.3531 8.3531 8.4622 8.4622 8.8735 8.8735 9.2601 9.2601 9.4822 9.4822 10.9663 10.9663 k = 0.4360 0.5055-0.0000 ( 2056 PWs) bands (ev): -10.9323 -10.9323 -9.6501 -9.6501 -8.4730 -8.4730 -7.3709 -7.3709 -7.3027 -7.3027 -4.6361 -4.6361 -2.1811 -2.1811 -1.7012 -1.7012 -0.7357 -0.7357 -0.3565 -0.3565 1.9541 1.9541 2.6957 2.6957 2.8955 2.8955 4.0919 4.0919 8.3342 8.3342 8.5068 8.5068 8.9108 8.9108 9.2728 9.2728 9.5609 9.5609 11.0028 11.0028 k = 0.4360 0.5055-0.0000 ( 2056 PWs) bands (ev): -10.9323 -10.9323 -9.6501 -9.6501 -8.4730 -8.4730 -7.3709 -7.3709 -7.3027 -7.3027 -4.6361 -4.6361 -2.1811 -2.1811 -1.7012 -1.7012 -0.7357 -0.7357 -0.3565 -0.3565 1.9541 1.9541 2.6957 2.6957 2.8955 2.8955 4.0919 4.0919 8.3342 8.3342 8.5068 8.5068 8.9108 8.9108 9.2728 9.2728 9.5609 9.5609 11.0028 11.0028 k = 0.4251 0.5055-0.0000 ( 2055 PWs) bands (ev): -10.9219 -10.9219 -9.7177 -9.7177 -8.4835 -8.4835 -7.3685 -7.3685 -7.2191 -7.2191 -4.6357 -4.6357 -2.1695 -2.1695 -1.6936 -1.6936 -0.6966 -0.6966 -0.3724 -0.3724 1.9635 1.9635 2.6530 2.6530 2.8693 2.8693 4.1210 4.1210 8.3454 8.3454 8.4767 8.4767 8.8855 8.8855 9.2653 9.2653 9.5105 9.5105 10.9784 10.9784 k = 0.4142 0.5055-0.0000 ( 2051 PWs) bands (ev): -10.9146 -10.9146 -9.7850 -9.7850 -8.4901 -8.4901 -7.3719 -7.3719 -7.1281 -7.1281 -4.6336 -4.6336 -2.1556 -2.1556 -1.6876 -1.6876 -0.6540 -0.6540 -0.3878 -0.3878 1.9759 1.9759 2.6061 2.6061 2.8383 2.8383 4.1524 4.1524 8.3556 8.3556 8.4409 8.4409 8.8552 8.8552 9.2577 9.2577 9.4563 9.4563 10.9505 10.9505 k = 0.4033 0.5055-0.0000 ( 2049 PWs) bands (ev): -10.9104 -10.9104 -9.8518 -9.8518 -8.4930 -8.4930 -7.3774 -7.3774 -7.0337 -7.0337 -4.6294 -4.6294 -2.1397 -2.1397 -1.6835 -1.6835 -0.6085 -0.6085 -0.4026 -0.4026 1.9915 1.9915 2.5552 2.5552 2.8026 2.8026 4.1861 4.1861 8.3648 8.3648 8.4005 8.4005 8.8198 8.8198 9.2492 9.2492 9.3990 9.3990 10.9196 10.9196 k = 0.3924 0.5055-0.0000 ( 2047 PWs) bands (ev): -10.9091 -10.9091 -9.9179 -9.9179 -8.4924 -8.4924 -7.3846 -7.3846 -6.9365 -6.9365 -4.6230 -4.6230 -2.1221 -2.1221 -1.6809 -1.6809 -0.5600 -0.5600 -0.4166 -0.4166 2.0102 2.0102 2.5001 2.5001 2.7621 2.7621 4.2219 4.2219 8.3558 8.3558 8.3732 8.3732 8.7792 8.7792 9.2393 9.2393 9.3396 9.3396 10.8859 10.8859 k = 0.3815 0.5055-0.0000 ( 2045 PWs) bands (ev): -10.9107 -10.9107 -9.9830 -9.9830 -8.4886 -8.4886 -7.3930 -7.3930 -6.8369 -6.8369 -4.6143 -4.6143 -2.1029 -2.1029 -1.6799 -1.6799 -0.5089 -0.5089 -0.4294 -0.4294 2.0320 2.0320 2.4411 2.4411 2.7169 2.7169 4.2598 4.2598 8.3078 8.3078 8.3800 8.3800 8.7333 8.7333 9.2273 9.2273 9.2791 9.2791 10.8499 10.8499 k = 0.3706 0.5055-0.0000 ( 2039 PWs) bands (ev): -10.9149 -10.9149 -10.0472 -10.0472 -8.4816 -8.4816 -7.4026 -7.4026 -6.7352 -6.7352 -4.6031 -4.6031 -2.0825 -2.0825 -1.6803 -1.6803 -0.4557 -0.4557 -0.4408 -0.4408 2.0569 2.0569 2.3784 2.3784 2.6670 2.6670 4.2997 4.2997 8.2568 8.2568 8.3853 8.3853 8.6821 8.6821 9.2124 9.2124 9.2192 9.2192 10.8119 10.8119 k = 0.3597 0.5055-0.0000 ( 2034 PWs) bands (ev): -10.9216 -10.9216 -10.1102 -10.1102 -8.4720 -8.4720 -7.4134 -7.4134 -6.6315 -6.6315 -4.5892 -4.5892 -2.0612 -2.0612 -1.6822 -1.6822 -0.4508 -0.4508 -0.4004 -0.4004 2.0848 2.0848 2.3120 2.3120 2.6126 2.6126 4.3413 4.3413 8.2032 8.2032 8.3887 8.3887 8.6254 8.6254 9.1591 9.1591 9.1962 9.1962 10.7724 10.7724 k = 0.3488 0.5055-0.0000 ( 2036 PWs) bands (ev): -10.9306 -10.9306 -10.1719 -10.1719 -8.4598 -8.4598 -7.4253 -7.4253 -6.5259 -6.5259 -4.5724 -4.5724 -2.0394 -2.0394 -1.6854 -1.6854 -0.4587 -0.4587 -0.3436 -0.3436 2.1157 2.1157 2.2422 2.2422 2.5537 2.5537 4.3845 4.3845 8.1473 8.1473 8.3891 8.3891 8.5638 8.5638 9.1021 9.1021 9.1762 9.1762 10.7314 10.7314 k = 0.3379 0.5055-0.0000 ( 2036 PWs) bands (ev): -10.9416 -10.9416 -10.2323 -10.2323 -8.4455 -8.4455 -7.4380 -7.4380 -6.4185 -6.4185 -4.5525 -4.5525 -2.0173 -2.0173 -1.6898 -1.6898 -0.4645 -0.4645 -0.2856 -0.2856 2.1493 2.1493 2.1693 2.1693 2.4905 2.4905 4.4291 4.4291 8.0895 8.0895 8.3839 8.3839 8.4995 8.4995 9.0485 9.0485 9.1534 9.1534 10.6896 10.6896 k = 0.3270 0.5055-0.0000 ( 2041 PWs) bands (ev): -10.9543 -10.9543 -10.2913 -10.2913 -8.4295 -8.4295 -7.4517 -7.4517 -6.3095 -6.3095 -4.5295 -4.5295 -1.9954 -1.9954 -1.6953 -1.6953 -0.4679 -0.4679 -0.2266 -0.2266 2.0928 2.0928 2.1863 2.1863 2.4231 2.4231 4.4750 4.4750 8.0300 8.0300 8.3629 8.3629 8.4425 8.4425 8.9992 8.9992 9.1276 9.1276 10.6469 10.6469 k = 0.3161 0.5055-0.0000 ( 2039 PWs) bands (ev): -10.9686 -10.9686 -10.3489 -10.3489 -8.4119 -8.4119 -7.4661 -7.4661 -6.1989 -6.1989 -4.5032 -4.5032 -1.9741 -1.9741 -1.7018 -1.7018 -0.4688 -0.4688 -0.1672 -0.1672 2.0140 2.0140 2.2260 2.2260 2.3519 2.3519 4.5219 4.5219 7.9692 7.9692 8.3068 8.3068 8.4121 8.4121 8.9554 8.9554 9.0991 9.0991 10.6038 10.6038 k = 0.3052 0.5055-0.0000 ( 2037 PWs) bands (ev): -10.9841 -10.9841 -10.4049 -10.4049 -8.3931 -8.3931 -7.4813 -7.4813 -6.0868 -6.0868 -4.4735 -4.4735 -1.9536 -1.9536 -1.7092 -1.7092 -0.4668 -0.4668 -0.1078 -0.1078 1.9327 1.9327 2.2684 2.2684 2.2771 2.2771 4.5698 4.5698 7.9071 7.9071 8.2270 8.2270 8.3966 8.3966 8.9173 8.9173 9.0678 9.0678 10.5602 10.5602 k = 0.2943 0.5055-0.0000 ( 2038 PWs) bands (ev): -11.0007 -11.0007 -10.4594 -10.4594 -8.3735 -8.3735 -7.4970 -7.4970 -5.9733 -5.9733 -4.4402 -4.4402 -1.9343 -1.9343 -1.7174 -1.7174 -0.4618 -0.4618 -0.0490 -0.0490 1.8492 1.8492 2.1987 2.1987 2.3138 2.3138 4.6183 4.6183 7.8440 7.8440 8.1375 8.1375 8.3825 8.3825 8.8855 8.8855 9.0340 9.0340 10.5163 10.5163 k = 0.2834 0.5055-0.0000 ( 2040 PWs) bands (ev): -11.0182 -11.0182 -10.5123 -10.5123 -8.3532 -8.3532 -7.5133 -7.5133 -5.8585 -5.8585 -4.4034 -4.4034 -1.9164 -1.9164 -1.7264 -1.7264 -0.4539 -0.4539 0.0086 0.0086 1.7643 1.7643 2.1173 2.1173 2.3619 2.3619 4.6674 4.6674 7.7800 7.7800 8.0421 8.0421 8.3662 8.3662 8.8603 8.8603 8.9980 8.9980 10.4722 10.4722 k = 0.2725 0.5055-0.0000 ( 2038 PWs) bands (ev): -11.0362 -11.0362 -10.5635 -10.5635 -8.3326 -8.3326 -7.5301 -7.5301 -5.7426 -5.7426 -4.3630 -4.3630 -1.9004 -1.9004 -1.7360 -1.7360 -0.4430 -0.4430 0.0644 0.0644 1.6784 1.6784 2.0333 2.0333 2.4129 2.4129 4.7167 4.7167 7.7153 7.7153 7.9423 7.9423 8.3470 8.3470 8.8415 8.8415 8.9599 8.9599 10.4280 10.4280 k = 0.2616 0.5055-0.0000 ( 2047 PWs) bands (ev): -11.0546 -11.0546 -10.6131 -10.6131 -8.3119 -8.3119 -7.5472 -7.5472 -5.6255 -5.6255 -4.3191 -4.3191 -1.8863 -1.8863 -1.7462 -1.7462 -0.4293 -0.4293 0.1174 0.1174 1.5921 1.5921 1.9467 1.9467 2.4666 2.4666 4.7661 4.7661 7.6499 7.6499 7.8390 7.8390 8.3249 8.3249 8.8285 8.8285 8.9202 8.9202 10.3836 10.3836 k = 0.2507 0.5055-0.0000 ( 2049 PWs) bands (ev): -11.0731 -11.0731 -10.6610 -10.6610 -8.2912 -8.2912 -7.5646 -7.5646 -5.5075 -5.5075 -4.2716 -4.2716 -1.8742 -1.8742 -1.7569 -1.7569 -0.4129 -0.4129 0.1667 0.1667 1.5065 1.5065 1.8586 1.8586 2.5232 2.5232 4.8153 4.8153 7.5842 7.5842 7.7329 7.7329 8.3003 8.3003 8.8213 8.8213 8.8790 8.8790 10.3391 10.3391 k = 0.2398 0.5055-0.0000 ( 2045 PWs) bands (ev): -11.0917 -11.0917 -10.7072 -10.7072 -8.2706 -8.2706 -7.5823 -7.5823 -5.3885 -5.3885 -4.2205 -4.2205 -1.8643 -1.8643 -1.7680 -1.7680 -0.3942 -0.3942 0.2108 0.2108 1.4229 1.4229 1.7691 1.7691 2.5826 2.5826 4.8642 4.8642 7.5181 7.5181 7.6244 7.6244 8.2741 8.2741 8.8188 8.8188 8.8369 8.8369 10.2946 10.2946 k = 0.2289 0.5055-0.0000 ( 2049 PWs) bands (ev): -11.1102 -11.1102 -10.7517 -10.7517 -8.2505 -8.2505 -7.6001 -7.6001 -5.2688 -5.2688 -4.1661 -4.1661 -1.8566 -1.8566 -1.7795 -1.7795 -0.3737 -0.3737 0.2481 0.2481 1.3428 1.3428 1.6789 1.6789 2.6450 2.6450 4.9124 4.9124 7.4518 7.4518 7.5143 7.5143 8.2466 8.2466 8.7935 8.7935 8.8209 8.8209 10.2500 10.2500 k = 0.2180 0.5055-0.0000 ( 2045 PWs) bands (ev): -11.1283 -11.1283 -10.7944 -10.7944 -8.2308 -8.2308 -7.6180 -7.6180 -5.1484 -5.1484 -4.1084 -4.1084 -1.8510 -1.8510 -1.7913 -1.7913 -0.3520 -0.3520 0.2764 0.2764 1.2683 1.2683 1.5889 1.5889 2.7102 2.7102 4.9596 4.9596 7.3855 7.3855 7.4029 7.4029 8.2188 8.2188 8.7499 8.7499 8.8263 8.8263 10.2053 10.2053 k = 0.2071 0.5055-0.0000 ( 2046 PWs) bands (ev): -11.1460 -11.1460 -10.8355 -10.8355 -8.2116 -8.2116 -7.6359 -7.6359 -5.0275 -5.0275 -4.0477 -4.0477 -1.8474 -1.8474 -1.8033 -1.8033 -0.3298 -0.3298 0.2931 0.2931 1.2020 1.2020 1.4997 1.4997 2.7784 2.7784 5.0056 5.0056 7.2907 7.2907 7.3194 7.3194 8.1911 8.1911 8.7060 8.7060 8.8348 8.8348 10.1606 10.1606 k = 0.1962 0.5055-0.0000 ( 2047 PWs) bands (ev): -11.1631 -11.1631 -10.8747 -10.8747 -8.1930 -8.1930 -7.6538 -7.6538 -4.9063 -4.9063 -3.9841 -3.9841 -1.8458 -1.8458 -1.8156 -1.8156 -0.3081 -0.3081 0.2956 0.2956 1.1465 1.1465 1.4125 1.4125 2.8495 2.8495 5.0498 5.0498 7.1782 7.1782 7.2535 7.2535 8.1641 8.1641 8.6620 8.6620 8.8461 8.8461 10.1158 10.1158 k = 0.1853 0.5055-0.0000 ( 2042 PWs) bands (ev): -11.1795 -11.1795 -10.9122 -10.9122 -8.1750 -8.1750 -7.6716 -7.6716 -4.7849 -4.7849 -3.9178 -3.9178 -1.8460 -1.8460 -1.8281 -1.8281 -0.2880 -0.2880 0.2817 0.2817 1.1040 1.1040 1.3283 1.3283 2.9237 2.9237 5.0919 5.0919 7.0662 7.0662 7.1880 7.1880 8.1382 8.1382 8.6182 8.6182 8.8598 8.8598 10.0709 10.0709 k = 0.1744 0.5055-0.0000 ( 2047 PWs) bands (ev): -11.1951 -11.1951 -10.9479 -10.9479 -8.1576 -8.1576 -7.6893 -7.6893 -4.6636 -4.6636 -3.8493 -3.8493 -1.8480 -1.8480 -1.8409 -1.8409 -0.2707 -0.2707 0.2505 0.2505 1.0754 1.0754 1.2483 1.2483 3.0008 3.0008 5.1313 5.1313 6.9551 6.9551 7.1231 7.1231 8.1137 8.1137 8.5748 8.5748 8.8757 8.8757 10.0259 10.0259 k = 0.1635 0.5055-0.0000 ( 2047 PWs) bands (ev): -11.2098 -11.2098 -10.9818 -10.9818 -8.1409 -8.1409 -7.7068 -7.7068 -4.5424 -4.5424 -3.7789 -3.7789 -1.8538 -1.8538 -1.8514 -1.8514 -0.2577 -0.2577 0.2035 0.2035 1.0596 1.0596 1.1740 1.1740 3.0810 3.0810 5.1673 5.1673 6.8459 6.8459 7.0588 7.0588 8.0910 8.0910 8.5320 8.5320 8.8935 8.8935 9.9809 9.9809 k = 0.1526 0.5055-0.0000 ( 2047 PWs) bands (ev): -11.2236 -11.2236 -11.0140 -11.0140 -8.1247 -8.1247 -7.7241 -7.7241 -4.4217 -4.4217 -3.7071 -3.7071 -1.8670 -1.8670 -1.8562 -1.8562 -0.2504 -0.2504 0.1433 0.1433 1.0541 1.0541 1.1071 1.1071 3.1641 3.1641 5.1990 5.1990 6.7396 6.7396 6.9955 6.9955 8.0703 8.0703 8.4900 8.4900 8.9131 8.9131 9.9360 9.9360 k = 0.1417 0.5055-0.0000 ( 2051 PWs) bands (ev): -11.2363 -11.2363 -11.0444 -11.0444 -8.1092 -8.1092 -7.7411 -7.7411 -4.3019 -4.3019 -3.6344 -3.6344 -1.8804 -1.8804 -1.8624 -1.8624 -0.2502 -0.2502 0.0733 0.0733 1.0490 1.0490 1.0558 1.0558 3.2502 3.2502 5.2252 5.2252 6.6374 6.6374 6.9332 6.9332 8.0518 8.0518 8.4489 8.4489 8.9345 8.9345 9.8910 9.8910 k = 0.1308 0.5055-0.0000 ( 2053 PWs) bands (ev): -11.2478 -11.2478 -11.0729 -11.0729 -8.0942 -8.0942 -7.7580 -7.7580 -4.1831 -4.1831 -3.5614 -3.5614 -1.8941 -1.8941 -1.8697 -1.8697 -0.2583 -0.2583 -0.0030 -0.0030 1.0011 1.0011 1.0617 1.0617 3.3391 3.3391 5.2446 5.2446 6.5409 6.5409 6.8721 6.8721 8.0357 8.0357 8.4088 8.4088 8.9574 8.9574 9.8461 9.8461 k = 0.1199 0.5055-0.0000 ( 2051 PWs) bands (ev): -11.2581 -11.2581 -11.0997 -11.0997 -8.0796 -8.0796 -7.7745 -7.7745 -4.0658 -4.0658 -3.4888 -3.4888 -1.9081 -1.9081 -1.8780 -1.8780 -0.2751 -0.2751 -0.0827 -0.0827 0.9641 0.9641 1.0697 1.0697 3.4309 3.4309 5.2552 5.2552 6.4523 6.4523 6.8123 6.8123 8.0221 8.0221 8.3699 8.3699 8.9819 8.9819 9.8014 9.8014 k = 0.1090 0.5055-0.0000 ( 2055 PWs) bands (ev): -11.2672 -11.2672 -11.1248 -11.1248 -8.0656 -8.0656 -7.7907 -7.7907 -3.9506 -3.9506 -3.4175 -3.4175 -1.9223 -1.9223 -1.8875 -1.8875 -0.3006 -0.3006 -0.1633 -0.1633 0.9383 0.9383 1.0780 1.0780 3.5253 3.5253 5.2549 5.2549 6.3735 6.3735 6.7540 6.7540 8.0111 8.0111 8.3324 8.3324 9.0078 9.0078 9.7569 9.7569 k = 0.0981 0.5055-0.0000 ( 2057 PWs) bands (ev): -11.2750 -11.2750 -11.1480 -11.1480 -8.0518 -8.0518 -7.8066 -7.8066 -3.8378 -3.8378 -3.3486 -3.3486 -1.9368 -1.9368 -1.8979 -1.8979 -0.3340 -0.3340 -0.2428 -0.2428 0.9231 0.9231 1.0852 1.0852 3.6222 3.6222 5.2418 5.2418 6.3073 6.3073 6.6974 6.6974 8.0029 8.0029 8.2962 8.2962 9.0351 9.0351 9.7126 9.7126 k = 0.0872 0.5055-0.0000 ( 2061 PWs) bands (ev): -11.2814 -11.2814 -11.1694 -11.1694 -8.0384 -8.0384 -7.8221 -7.8221 -3.7283 -3.7283 -3.2832 -3.2832 -1.9514 -1.9514 -1.9094 -1.9094 -0.3736 -0.3736 -0.3192 -0.3192 0.9175 0.9175 1.0905 1.0905 3.7215 3.7215 5.2138 5.2138 6.2553 6.2553 6.6424 6.6424 7.9974 7.9974 8.2616 8.2616 9.0638 9.0638 9.6687 9.6687 k = 0.0763 0.5055-0.0000 ( 2059 PWs) bands (ev): -11.2863 -11.2863 -11.1891 -11.1891 -8.0253 -8.0253 -7.8373 -7.8373 -3.6228 -3.6228 -3.2229 -3.2229 -1.9657 -1.9657 -1.9217 -1.9217 -0.4172 -0.4172 -0.3907 -0.3907 0.9199 0.9199 1.0934 1.0934 3.8229 3.8229 5.1704 5.1704 6.2187 6.2187 6.5893 6.5893 7.9947 7.9947 8.2286 8.2286 9.0939 9.0939 9.6252 9.6252 k = 0.0654 0.5055-0.0000 ( 2060 PWs) bands (ev): -11.2898 -11.2898 -11.2071 -11.2071 -8.0123 -8.0123 -7.8522 -7.8522 -3.5221 -3.5221 -3.1694 -3.1694 -1.9795 -1.9795 -1.9348 -1.9348 -0.4624 -0.4624 -0.4558 -0.4558 0.9286 0.9286 1.0934 1.0934 3.9262 3.9262 5.1120 5.1120 6.1972 6.1972 6.5382 6.5382 7.9948 7.9948 8.1974 8.1974 9.1252 9.1252 9.5821 9.5821 k = 0.0545 0.5055-0.0000 ( 2060 PWs) bands (ev): -11.2918 -11.2918 -11.2233 -11.2233 -7.9995 -7.9995 -7.8667 -7.8667 -3.4276 -3.4276 -3.1247 -3.1247 -1.9921 -1.9921 -1.9485 -1.9485 -0.5128 -0.5128 -0.5068 -0.5068 0.9420 0.9420 1.0905 1.0905 4.0310 4.0310 5.0405 5.0405 6.1891 6.1891 6.4892 6.4892 7.9976 7.9976 8.1680 8.1680 9.1577 9.1577 9.5396 9.5396 k = 0.0436 0.5055-0.0000 ( 2060 PWs) bands (ev): -11.2923 -11.2923 -11.2377 -11.2377 -7.9867 -7.9867 -7.8810 -7.8810 -3.3404 -3.3404 -3.0908 -3.0908 -2.0027 -2.0027 -1.9625 -1.9625 -0.5606 -0.5606 -0.5480 -0.5480 0.9586 0.9586 1.0845 1.0845 4.1371 4.1371 4.9581 4.9581 6.1926 6.1926 6.4425 6.4425 8.0033 8.0033 8.1406 8.1406 9.1915 9.1915 9.4976 9.4976 k = 0.0327 0.5055-0.0000 ( 2062 PWs) bands (ev): -11.2912 -11.2912 -11.2504 -11.2504 -7.9739 -7.9739 -7.8949 -7.8949 -3.2622 -3.2622 -3.0698 -3.0698 -2.0103 -2.0103 -1.9763 -1.9763 -0.5978 -0.5978 -0.5838 -0.5838 0.9770 0.9770 1.0755 1.0755 4.2441 4.2441 4.8673 4.8673 6.2054 6.2054 6.3983 6.3983 8.0117 8.0117 8.1153 8.1153 9.2263 9.2263 9.4564 9.4564 k = 0.0218 0.5055-0.0000 ( 2058 PWs) bands (ev): -11.2885 -11.2885 -11.2614 -11.2614 -7.9611 -7.9611 -7.9086 -7.9086 -3.1946 -3.1946 -3.0635 -3.0635 -2.0140 -2.0140 -1.9893 -1.9893 -0.6237 -0.6237 -0.6122 -0.6122 0.9962 0.9962 1.0638 1.0638 4.3514 4.3514 4.7704 4.7704 6.2257 6.2257 6.3567 6.3567 8.0227 8.0227 8.0921 8.0921 9.2623 9.2623 9.4158 9.4158 k = 0.0109 0.5055-0.0000 ( 2060 PWs) bands (ev): -11.2842 -11.2842 -11.2707 -11.2707 -7.9482 -7.9482 -7.9220 -7.9220 -3.1395 -3.1395 -3.0730 -3.0730 -2.0136 -2.0136 -2.0005 -2.0005 -0.6379 -0.6379 -0.6315 -0.6315 1.0151 1.0151 1.0495 1.0495 4.4585 4.4585 4.6690 4.6690 6.2520 6.2520 6.3182 6.3182 8.0364 8.0364 8.0711 8.0711 9.2993 9.2993 9.3761 9.3761 k = 0.0000 0.5055-0.0000 ( 2062 PWs) bands (ev): -11.2783 -11.2783 -11.2783 -11.2783 -7.9352 -7.9352 -7.9352 -7.9352 -3.0986 -3.0986 -3.0986 -3.0986 -2.0089 -2.0089 -2.0089 -2.0089 -0.6404 -0.6404 -0.6404 -0.6404 1.0331 1.0331 1.0331 1.0331 4.5646 4.5646 4.5646 4.5646 6.2831 6.2831 6.2831 6.2831 8.0525 8.0525 8.0525 8.0525 9.3373 9.3373 9.3373 9.3373 k = 0.0000 0.5055-0.0000 ( 2062 PWs) bands (ev): -11.2783 -11.2783 -11.2783 -11.2783 -7.9352 -7.9352 -7.9352 -7.9352 -3.0986 -3.0986 -3.0986 -3.0986 -2.0089 -2.0089 -2.0089 -2.0089 -0.6404 -0.6404 -0.6404 -0.6404 1.0331 1.0331 1.0331 1.0331 4.5646 4.5646 4.5646 4.5646 6.2831 6.2831 6.2831 6.2831 8.0525 8.0525 8.0525 8.0525 9.3373 9.3373 9.3373 9.3373 k = 0.0000 0.5055 0.0111 ( 2060 PWs) bands (ev): -11.2782 -11.2782 -11.2782 -11.2782 -7.9355 -7.9355 -7.9355 -7.9355 -3.0981 -3.0981 -3.0981 -3.0981 -2.0088 -2.0088 -2.0088 -2.0088 -0.6397 -0.6397 -0.6397 -0.6397 1.0329 1.0329 1.0329 1.0329 4.5635 4.5635 4.5635 4.5635 6.2820 6.2820 6.2820 6.2820 8.0540 8.0540 8.0541 8.0541 9.3371 9.3371 9.3372 9.3372 k = 0.0000 0.5055 0.0222 ( 2060 PWs) bands (ev): -11.2779 -11.2779 -11.2779 -11.2779 -7.9366 -7.9366 -7.9366 -7.9366 -3.0969 -3.0969 -3.0969 -3.0969 -2.0087 -2.0087 -2.0087 -2.0087 -0.6379 -0.6379 -0.6379 -0.6379 1.0321 1.0321 1.0321 1.0321 4.5601 4.5601 4.5601 4.5601 6.2789 6.2789 6.2789 6.2789 8.0587 8.0587 8.0587 8.0587 9.3369 9.3369 9.3369 9.3369 k = 0.0000 0.5055 0.0333 ( 2056 PWs) bands (ev): -11.2775 -11.2775 -11.2775 -11.2775 -7.9382 -7.9382 -7.9382 -7.9382 -3.0950 -3.0950 -3.0950 -3.0950 -2.0085 -2.0085 -2.0085 -2.0085 -0.6348 -0.6348 -0.6348 -0.6348 1.0308 1.0308 1.0308 1.0308 4.5545 4.5545 4.5545 4.5545 6.2738 6.2738 6.2738 6.2738 8.0663 8.0663 8.0664 8.0664 9.3364 9.3364 9.3365 9.3365 k = 0.0000 0.5055 0.0444 ( 2058 PWs) bands (ev): -11.2769 -11.2769 -11.2769 -11.2769 -7.9406 -7.9406 -7.9406 -7.9406 -3.0922 -3.0922 -3.0922 -3.0922 -2.0082 -2.0082 -2.0082 -2.0082 -0.6306 -0.6306 -0.6306 -0.6306 1.0290 1.0290 1.0290 1.0290 4.5467 4.5467 4.5467 4.5467 6.2668 6.2668 6.2668 6.2668 8.0767 8.0767 8.0768 8.0768 9.3357 9.3357 9.3358 9.3358 k = 0.0000 0.5055 0.0555 ( 2060 PWs) bands (ev): -11.2762 -11.2762 -11.2762 -11.2762 -7.9436 -7.9436 -7.9436 -7.9436 -3.0888 -3.0888 -3.0888 -3.0888 -2.0079 -2.0079 -2.0079 -2.0079 -0.6252 -0.6252 -0.6251 -0.6251 1.0266 1.0266 1.0267 1.0267 4.5368 4.5368 4.5368 4.5368 6.2581 6.2581 6.2581 6.2581 8.0897 8.0897 8.0899 8.0899 9.3349 9.3349 9.3350 9.3350 k = 0.0000 0.5055 0.0666 ( 2060 PWs) bands (ev): -11.2753 -11.2753 -11.2753 -11.2753 -7.9471 -7.9471 -7.9471 -7.9471 -3.0846 -3.0846 -3.0846 -3.0846 -2.0075 -2.0075 -2.0075 -2.0075 -0.6187 -0.6187 -0.6186 -0.6186 1.0239 1.0239 1.0239 1.0239 4.5249 4.5249 4.5250 4.5250 6.2478 6.2478 6.2479 6.2479 8.1051 8.1051 8.1054 8.1054 9.3340 9.3340 9.3341 9.3341 k = 0.0000 0.5055 0.0777 ( 2058 PWs) bands (ev): -11.2743 -11.2743 -11.2743 -11.2743 -7.9512 -7.9512 -7.9512 -7.9512 -3.0799 -3.0799 -3.0799 -3.0799 -2.0070 -2.0070 -2.0070 -2.0070 -0.6111 -0.6111 -0.6110 -0.6110 1.0206 1.0206 1.0207 1.0207 4.5113 4.5113 4.5113 4.5113 6.2362 6.2362 6.2363 6.2363 8.1227 8.1227 8.1230 8.1230 9.3330 9.3330 9.3332 9.3332 k = 0.0000 0.5055 0.0888 ( 2054 PWs) bands (ev): -11.2731 -11.2731 -11.2731 -11.2731 -7.9557 -7.9557 -7.9557 -7.9557 -3.0746 -3.0746 -3.0746 -3.0746 -2.0065 -2.0065 -2.0065 -2.0065 -0.6025 -0.6025 -0.6024 -0.6024 1.0170 1.0170 1.0171 1.0171 4.4960 4.4960 4.4960 4.4960 6.2236 6.2236 6.2237 6.2237 8.1421 8.1421 8.1424 8.1424 9.3319 9.3319 9.3321 9.3321 k = 0.0000 0.5055 0.0999 ( 2054 PWs) bands (ev): -11.2719 -11.2719 -11.2719 -11.2719 -7.9607 -7.9607 -7.9607 -7.9607 -3.0689 -3.0689 -3.0689 -3.0689 -2.0060 -2.0060 -2.0059 -2.0059 -0.5930 -0.5930 -0.5929 -0.5929 1.0129 1.0129 1.0131 1.0131 4.4792 4.4792 4.4792 4.4792 6.2101 6.2101 6.2102 6.2102 8.1629 8.1629 8.1633 8.1633 9.3308 9.3308 9.3310 9.3310 k = 0.0000 0.5055 0.1110 ( 2050 PWs) bands (ev): -11.2705 -11.2705 -11.2705 -11.2705 -7.9660 -7.9660 -7.9660 -7.9660 -3.0627 -3.0627 -3.0627 -3.0627 -2.0053 -2.0053 -2.0053 -2.0053 -0.5827 -0.5827 -0.5826 -0.5826 1.0085 1.0085 1.0087 1.0087 4.4611 4.4611 4.4612 4.4612 6.1960 6.1960 6.1960 6.1960 8.1850 8.1850 8.1853 8.1853 9.3296 9.3296 9.3299 9.3299 k = 0.0000 0.5055 0.1221 ( 2052 PWs) bands (ev): -11.2691 -11.2691 -11.2691 -11.2691 -7.9716 -7.9716 -7.9716 -7.9716 -3.0563 -3.0563 -3.0563 -3.0563 -2.0047 -2.0047 -2.0047 -2.0047 -0.5717 -0.5717 -0.5716 -0.5716 1.0038 1.0038 1.0039 1.0039 4.4420 4.4420 4.4420 4.4420 6.1813 6.1813 6.1814 6.1814 8.2078 8.2078 8.2082 8.2082 9.3284 9.3284 9.3287 9.3287 k = 0.0000 0.5055 0.1332 ( 2050 PWs) bands (ev): -11.2676 -11.2676 -11.2676 -11.2676 -7.9774 -7.9774 -7.9774 -7.9774 -3.0496 -3.0496 -3.0496 -3.0496 -2.0040 -2.0040 -2.0040 -2.0040 -0.5600 -0.5600 -0.5599 -0.5599 0.9988 0.9988 0.9989 0.9989 4.4220 4.4220 4.4221 4.4221 6.1665 6.1665 6.1666 6.1666 8.2312 8.2312 8.2316 8.2316 9.3273 9.3273 9.3275 9.3275 k = 0.0000 0.5055 0.1443 ( 2052 PWs) bands (ev): -11.2661 -11.2661 -11.2661 -11.2661 -7.9834 -7.9834 -7.9834 -7.9834 -3.0427 -3.0427 -3.0427 -3.0427 -2.0034 -2.0034 -2.0033 -2.0033 -0.5479 -0.5479 -0.5478 -0.5478 0.9935 0.9935 0.9937 0.9937 4.4015 4.4015 4.4016 4.4016 6.1517 6.1517 6.1518 6.1518 8.2548 8.2548 8.2552 8.2552 9.3262 9.3262 9.3265 9.3265 k = 0.0000 0.5055 0.1554 ( 2048 PWs) bands (ev): -11.2645 -11.2645 -11.2645 -11.2645 -7.9894 -7.9894 -7.9894 -7.9894 -3.0358 -3.0358 -3.0358 -3.0358 -2.0027 -2.0027 -2.0026 -2.0026 -0.5354 -0.5354 -0.5353 -0.5353 0.9882 0.9882 0.9883 0.9883 4.3807 4.3807 4.3808 4.3808 6.1371 6.1371 6.1372 6.1372 8.2783 8.2783 8.2788 8.2788 9.3252 9.3252 9.3255 9.3255 k = 0.0000 0.5055 0.1665 ( 2050 PWs) bands (ev): -11.2629 -11.2629 -11.2629 -11.2629 -7.9954 -7.9954 -7.9954 -7.9954 -3.0290 -3.0290 -3.0290 -3.0290 -2.0020 -2.0020 -2.0020 -2.0020 -0.5227 -0.5227 -0.5227 -0.5227 0.9827 0.9827 0.9828 0.9828 4.3598 4.3598 4.3598 4.3598 6.1228 6.1228 6.1229 6.1229 8.3015 8.3015 8.3019 8.3019 9.3243 9.3243 9.3245 9.3245 k = 0.0000 0.5055 0.1776 ( 2052 PWs) bands (ev): -11.2614 -11.2614 -11.2614 -11.2614 -8.0014 -8.0014 -8.0014 -8.0014 -3.0223 -3.0223 -3.0223 -3.0223 -2.0013 -2.0013 -2.0013 -2.0013 -0.5101 -0.5101 -0.5100 -0.5100 0.9771 0.9771 0.9773 0.9773 4.3390 4.3390 4.3391 4.3391 6.1091 6.1091 6.1091 6.1091 8.3239 8.3239 8.3243 8.3243 9.3234 9.3234 9.3236 9.3236 k = 0.0000 0.5055 0.1887 ( 2052 PWs) bands (ev): -11.2599 -11.2599 -11.2599 -11.2599 -8.0071 -8.0071 -8.0071 -8.0071 -3.0158 -3.0158 -3.0158 -3.0158 -2.0006 -2.0006 -2.0006 -2.0006 -0.4975 -0.4975 -0.4974 -0.4974 0.9716 0.9716 0.9717 0.9717 4.3188 4.3188 4.3188 4.3188 6.0960 6.0960 6.0960 6.0960 8.3455 8.3455 8.3459 8.3459 9.3227 9.3227 9.3229 9.3229 k = 0.0000 0.5055 0.1998 ( 2048 PWs) bands (ev): -11.2584 -11.2584 -11.2584 -11.2584 -8.0126 -8.0126 -8.0126 -8.0126 -3.0096 -3.0096 -3.0096 -3.0096 -2.0000 -2.0000 -2.0000 -2.0000 -0.4852 -0.4852 -0.4851 -0.4851 0.9662 0.9662 0.9664 0.9664 4.2993 4.2993 4.2993 4.2993 6.0836 6.0836 6.0837 6.0837 8.3660 8.3660 8.3664 8.3664 9.3221 9.3221 9.3223 9.3223 k = 0.0000 0.5055 0.2109 ( 2048 PWs) bands (ev): -11.2570 -11.2570 -11.2570 -11.2570 -8.0179 -8.0179 -8.0179 -8.0179 -3.0037 -3.0037 -3.0037 -3.0037 -1.9994 -1.9994 -1.9994 -1.9994 -0.4734 -0.4734 -0.4733 -0.4733 0.9610 0.9610 0.9611 0.9611 4.2807 4.2807 4.2808 4.2808 6.0721 6.0721 6.0722 6.0722 8.3851 8.3851 8.3855 8.3855 9.3216 9.3216 9.3218 9.3218 k = 0.0000 0.5055 0.2220 ( 2042 PWs) bands (ev): -11.2557 -11.2557 -11.2557 -11.2557 -8.0227 -8.0227 -8.0227 -8.0227 -2.9983 -2.9983 -2.9983 -2.9983 -1.9988 -1.9988 -1.9988 -1.9988 -0.4622 -0.4622 -0.4621 -0.4621 0.9560 0.9560 0.9561 0.9561 4.2634 4.2634 4.2635 4.2635 6.0617 6.0617 6.0617 6.0617 8.4028 8.4028 8.4031 8.4031 9.3212 9.3212 9.3215 9.3215 k = 0.0000 0.5055 0.2331 ( 2038 PWs) bands (ev): -11.2545 -11.2545 -11.2545 -11.2545 -8.0272 -8.0272 -8.0272 -8.0272 -2.9933 -2.9933 -2.9933 -2.9933 -1.9983 -1.9983 -1.9983 -1.9983 -0.4518 -0.4518 -0.4517 -0.4517 0.9514 0.9514 0.9515 0.9515 4.2476 4.2476 4.2476 4.2476 6.0522 6.0522 6.0523 6.0523 8.4187 8.4187 8.4190 8.4190 9.3210 9.3210 9.3212 9.3212 k = 0.0000 0.5055 0.2442 ( 2040 PWs) bands (ev): -11.2535 -11.2535 -11.2535 -11.2535 -8.0312 -8.0312 -8.0312 -8.0312 -2.9889 -2.9889 -2.9889 -2.9889 -1.9979 -1.9979 -1.9978 -1.9978 -0.4424 -0.4424 -0.4424 -0.4424 0.9472 0.9472 0.9473 0.9473 4.2334 4.2334 4.2334 4.2334 6.0439 6.0439 6.0439 6.0439 8.4328 8.4328 8.4330 8.4330 9.3208 9.3208 9.3210 9.3210 k = 0.0000 0.5055 0.2553 ( 2042 PWs) bands (ev): -11.2526 -11.2526 -11.2526 -11.2526 -8.0346 -8.0346 -8.0346 -8.0346 -2.9851 -2.9851 -2.9851 -2.9851 -1.9975 -1.9975 -1.9974 -1.9974 -0.4342 -0.4342 -0.4342 -0.4342 0.9435 0.9435 0.9436 0.9436 4.2210 4.2210 4.2210 4.2210 6.0368 6.0368 6.0368 6.0368 8.4449 8.4449 8.4451 8.4451 9.3207 9.3207 9.3208 9.3208 k = 0.0000 0.5055 0.2664 ( 2042 PWs) bands (ev): -11.2518 -11.2518 -11.2518 -11.2518 -8.0375 -8.0375 -8.0375 -8.0375 -2.9819 -2.9819 -2.9819 -2.9819 -1.9971 -1.9971 -1.9971 -1.9971 -0.4273 -0.4273 -0.4272 -0.4272 0.9403 0.9403 0.9404 0.9404 4.2107 4.2107 4.2107 4.2107 6.0308 6.0308 6.0309 6.0309 8.4549 8.4549 8.4551 8.4551 9.3206 9.3206 9.3208 9.3208 k = 0.0000 0.5055 0.2775 ( 2044 PWs) bands (ev): -11.2512 -11.2512 -11.2512 -11.2512 -8.0398 -8.0398 -8.0398 -8.0398 -2.9794 -2.9794 -2.9794 -2.9794 -1.9969 -1.9969 -1.9969 -1.9969 -0.4217 -0.4217 -0.4217 -0.4217 0.9378 0.9378 0.9379 0.9379 4.2025 4.2025 4.2025 4.2025 6.0262 6.0262 6.0262 6.0262 8.4628 8.4628 8.4629 8.4629 9.3206 9.3206 9.3207 9.3207 k = 0.0000 0.5055 0.2886 ( 2044 PWs) bands (ev): -11.2508 -11.2508 -11.2508 -11.2508 -8.0414 -8.0414 -8.0414 -8.0414 -2.9776 -2.9776 -2.9776 -2.9776 -1.9967 -1.9967 -1.9967 -1.9967 -0.4177 -0.4177 -0.4177 -0.4177 0.9360 0.9360 0.9360 0.9360 4.1965 4.1965 4.1966 4.1966 6.0229 6.0229 6.0229 6.0229 8.4685 8.4685 8.4686 8.4686 9.3206 9.3206 9.3206 9.3206 k = 0.0000 0.5055 0.2997 ( 2046 PWs) bands (ev): -11.2505 -11.2505 -11.2505 -11.2505 -8.0424 -8.0424 -8.0424 -8.0424 -2.9765 -2.9765 -2.9765 -2.9765 -1.9965 -1.9965 -1.9965 -1.9965 -0.4153 -0.4153 -0.4152 -0.4152 0.9349 0.9349 0.9349 0.9349 4.1930 4.1930 4.1930 4.1930 6.0209 6.0209 6.0209 6.0209 8.4719 8.4719 8.4720 8.4720 9.3206 9.3206 9.3206 9.3206 k = 0.0000 0.5055 0.3108 ( 2048 PWs) bands (ev): -11.2504 -11.2504 -11.2504 -11.2504 -8.0428 -8.0428 -8.0428 -8.0428 -2.9762 -2.9762 -2.9762 -2.9762 -1.9965 -1.9965 -1.9965 -1.9965 -0.4144 -0.4144 -0.4144 -0.4144 0.9345 0.9345 0.9345 0.9345 4.1918 4.1918 4.1918 4.1918 6.0202 6.0202 6.0202 6.0202 8.4731 8.4731 8.4731 8.4731 9.3206 9.3206 9.3206 9.3206 k = 0.0000 0.5055 0.3108 ( 2048 PWs) bands (ev): -11.2504 -11.2504 -11.2504 -11.2504 -8.0428 -8.0428 -8.0428 -8.0428 -2.9762 -2.9762 -2.9762 -2.9762 -1.9965 -1.9965 -1.9965 -1.9965 -0.4144 -0.4144 -0.4144 -0.4144 0.9345 0.9345 0.9345 0.9345 4.1918 4.1918 4.1918 4.1918 6.0202 6.0202 6.0202 6.0202 8.4731 8.4731 8.4731 8.4731 9.3206 9.3206 9.3206 9.3206 k = 0.0109 0.5055 0.3108 ( 2046 PWs) bands (ev): -11.2564 -11.2564 -11.2428 -11.2428 -8.0550 -8.0550 -8.0302 -8.0302 -3.0273 -3.0273 -2.9441 -2.9441 -2.0067 -2.0067 -1.9763 -1.9763 -0.4129 -0.4129 -0.4078 -0.4078 0.9119 0.9119 0.9562 0.9562 4.0893 4.0893 4.2918 4.2918 6.0170 6.0170 6.0298 6.0298 8.4437 8.4437 8.5036 8.5036 9.2358 9.2358 9.4064 9.4064 k = 0.0218 0.5055 0.3108 ( 2042 PWs) bands (ev): -11.2607 -11.2607 -11.2335 -11.2335 -8.0671 -8.0671 -8.0173 -8.0173 -3.0946 -3.0946 -2.9331 -2.9331 -2.0050 -2.0050 -1.9490 -1.9490 -0.4028 -0.4028 -0.3936 -0.3936 0.8890 0.8890 0.9764 0.9764 3.9852 3.9852 4.3886 4.3886 6.0209 6.0209 6.0453 6.0453 8.4149 8.4149 8.5353 8.5353 9.1526 9.1526 9.4928 9.4928 k = 0.0327 0.5055 0.3108 ( 2048 PWs) bands (ev): -11.2634 -11.2634 -11.2224 -11.2224 -8.0789 -8.0789 -8.0042 -8.0042 -3.1749 -3.1749 -2.9431 -2.9431 -1.9910 -1.9910 -1.9177 -1.9177 -0.3842 -0.3842 -0.3727 -0.3727 0.8667 0.8667 0.9946 0.9946 3.8801 3.8801 4.4811 4.4811 6.0324 6.0324 6.0660 6.0660 8.3862 8.3862 8.5684 8.5684 9.0713 9.0713 9.5795 9.5795 k = 0.0436 0.5055 0.3108 ( 2050 PWs) bands (ev): -11.2646 -11.2646 -11.2097 -11.2097 -8.0906 -8.0906 -7.9906 -7.9906 -3.2654 -3.2654 -2.9720 -2.9720 -1.9667 -1.9667 -1.8851 -1.8851 -0.3570 -0.3570 -0.3461 -0.3461 0.8460 0.8460 1.0106 1.0106 3.7747 3.7747 4.5686 4.5686 6.0522 6.0522 6.0916 6.0916 8.3571 8.3571 8.6032 8.6032 8.9929 8.9929 9.6663 9.6663 k = 0.0545 0.5055 0.3108 ( 2046 PWs) bands (ev): -11.2641 -11.2641 -11.1952 -11.1952 -8.1022 -8.1022 -7.9767 -7.9767 -3.3637 -3.3637 -3.0166 -3.0166 -1.9349 -1.9349 -1.8529 -1.8529 -0.3216 -0.3216 -0.3154 -0.3154 0.8283 0.8283 1.0241 1.0241 3.6696 3.6696 4.6501 4.6501 6.0811 6.0811 6.1216 6.1216 8.3267 8.3267 8.6398 8.6398 8.9183 8.9183 9.7528 9.7528 k = 0.0654 0.5055 0.3108 ( 2046 PWs) bands (ev): -11.2622 -11.2622 -11.1791 -11.1791 -8.1137 -8.1137 -7.9623 -7.9623 -3.4683 -3.4683 -3.0731 -3.0731 -1.8987 -1.8987 -1.8226 -1.8226 -0.2825 -0.2825 -0.2783 -0.2783 0.8151 0.8151 1.0351 1.0351 3.5653 3.5653 4.7248 4.7248 6.1194 6.1194 6.1557 6.1557 8.2941 8.2941 8.6782 8.6782 8.8487 8.8487 9.8388 9.8388 k = 0.0763 0.5055 0.3108 ( 2050 PWs) bands (ev): -11.2587 -11.2587 -11.1611 -11.1611 -8.1253 -8.1253 -7.9476 -7.9476 -3.5777 -3.5777 -3.1385 -3.1385 -1.8607 -1.8607 -1.7949 -1.7949 -0.2494 -0.2494 -0.2281 -0.2281 0.8080 0.8080 1.0435 1.0435 3.4623 3.4623 4.7922 4.7922 6.1675 6.1675 6.1934 6.1934 8.2580 8.2580 8.7184 8.7184 8.7853 8.7853 9.9243 9.9243 k = 0.0872 0.5055 0.3108 ( 2050 PWs) bands (ev): -11.2538 -11.2538 -11.1414 -11.1414 -8.1369 -8.1369 -7.9324 -7.9324 -3.6909 -3.6909 -3.2102 -3.2102 -1.8226 -1.8226 -1.7704 -1.7704 -0.2185 -0.2185 -0.1717 -0.1717 0.8090 0.8090 1.0496 1.0496 3.3609 3.3609 4.8521 4.8521 6.2252 6.2252 6.2346 6.2346 8.2173 8.2173 8.7293 8.7293 8.7607 8.7607 10.0090 10.0090 k = 0.0981 0.5055 0.3108 ( 2044 PWs) bands (ev): -11.2474 -11.2474 -11.1199 -11.1199 -8.1486 -8.1486 -7.9168 -7.9168 -3.8071 -3.8071 -3.2862 -3.2862 -1.7858 -1.7858 -1.7493 -1.7493 -0.1921 -0.1921 -0.1105 -0.1105 0.8201 0.8201 1.0535 1.0535 3.2616 3.2616 4.9045 4.9045 6.2789 6.2789 6.2924 6.2924 8.1712 8.1712 8.6821 8.6821 8.8050 8.8050 10.0927 10.0927 k = 0.1090 0.5055 0.3108 ( 2038 PWs) bands (ev): -11.2397 -11.2397 -11.0967 -11.0967 -8.1605 -8.1605 -7.9008 -7.9008 -3.9255 -3.9255 -3.3648 -3.3648 -1.7508 -1.7508 -1.7317 -1.7317 -0.1721 -0.1721 -0.0456 -0.0456 0.8425 0.8425 1.0559 1.0559 3.1647 3.1647 4.9497 4.9497 6.3259 6.3259 6.3681 6.3681 8.1192 8.1192 8.6440 8.6440 8.8513 8.8513 10.1753 10.1753 k = 0.1199 0.5055 0.3108 ( 2038 PWs) bands (ev): -11.2307 -11.2307 -11.0717 -11.0717 -8.1727 -8.1727 -7.8845 -7.8845 -4.0456 -4.0456 -3.4450 -3.4450 -1.7181 -1.7181 -1.7176 -1.7176 -0.1597 -0.1597 0.0209 0.0209 0.8770 0.8770 1.0574 1.0574 3.0706 3.0706 4.9883 4.9883 6.3755 6.3755 6.4516 6.4516 8.0616 8.0616 8.6149 8.6149 8.8995 8.8995 10.2567 10.2567 k = 0.1308 0.5055 0.3108 ( 2032 PWs) bands (ev): -11.2204 -11.2204 -11.0449 -11.0449 -8.1852 -8.1852 -7.8677 -7.8677 -4.1671 -4.1671 -3.5257 -3.5257 -1.7071 -1.7071 -1.6875 -1.6875 -0.1550 -0.1550 0.0872 0.0872 0.9235 0.9235 1.0594 1.0594 2.9796 2.9796 5.0210 5.0210 6.4273 6.4273 6.5418 6.5418 7.9993 7.9993 8.5941 8.5941 8.9499 8.9499 10.3366 10.3366 k = 0.1417 0.5055 0.3108 ( 2032 PWs) bands (ev): -11.2090 -11.2090 -11.0163 -11.0163 -8.1980 -8.1980 -7.8507 -7.8507 -4.2895 -4.2895 -3.6061 -3.6061 -1.7001 -1.7001 -1.6594 -1.6594 -0.1576 -0.1576 0.1507 0.1507 0.9810 0.9810 1.0633 1.0633 2.8919 2.8919 5.0484 5.0484 6.4811 6.4811 6.6378 6.6378 7.9334 7.9334 8.5806 8.5806 9.0021 9.0021 10.4149 10.4149 k = 0.1526 0.5055 0.3108 ( 2032 PWs) bands (ev): -11.1964 -11.1964 -10.9859 -10.9859 -8.2113 -8.2113 -7.8333 -7.8333 -4.4125 -4.4125 -3.6857 -3.6857 -1.6966 -1.6966 -1.6333 -1.6333 -0.1662 -0.1662 0.2088 0.2088 1.0481 1.0481 1.0712 1.0712 2.8078 2.8078 5.0713 5.0713 6.5367 6.5367 6.7385 6.7385 7.8649 7.8649 8.5735 8.5735 9.0564 9.0564 10.4916 10.4916 k = 0.1635 0.5055 0.3108 ( 2032 PWs) bands (ev): -11.1827 -11.1827 -10.9538 -10.9538 -8.2250 -8.2250 -7.8155 -7.8155 -4.5359 -4.5359 -3.7639 -3.7639 -1.6965 -1.6965 -1.6092 -1.6092 -0.1794 -0.1794 0.2582 0.2582 1.0856 1.0856 1.1232 1.1232 2.7274 2.7274 5.0902 5.0902 6.5937 6.5937 6.8428 6.8428 7.7949 7.7949 8.5721 8.5721 9.1126 9.1126 10.5665 10.5665 k = 0.1744 0.5055 0.3108 ( 2034 PWs) bands (ev): -11.1680 -11.1680 -10.9198 -10.9198 -8.2392 -8.2392 -7.7976 -7.7976 -4.6594 -4.6594 -3.8402 -3.8402 -1.6997 -1.6997 -1.5868 -1.5868 -0.1957 -0.1957 0.2960 0.2960 1.1091 1.1091 1.2044 1.2044 2.6508 2.6508 5.1057 5.1057 6.6521 6.6521 6.9500 6.9500 7.7242 7.7242 8.5755 8.5755 9.1707 9.1707 10.6394 10.6394 k = 0.1853 0.5055 0.3108 ( 2034 PWs) bands (ev): -11.1525 -11.1525 -10.8841 -10.8841 -8.2539 -8.2539 -7.7794 -7.7794 -4.7829 -4.7829 -3.9143 -3.9143 -1.7064 -1.7064 -1.5660 -1.5660 -0.2137 -0.2137 0.3198 0.3198 1.1435 1.1435 1.2904 1.2904 2.5782 2.5782 5.1181 5.1181 6.7114 6.7114 7.0592 7.0592 7.6536 7.6536 8.5833 8.5833 9.2305 9.2305 10.7104 10.7104 k = 0.1962 0.5055 0.3108 ( 2042 PWs) bands (ev): -11.1362 -11.1362 -10.8467 -10.8467 -8.2691 -8.2691 -7.7610 -7.7610 -4.9061 -4.9061 -3.9858 -3.9858 -1.7165 -1.7165 -1.5465 -1.5465 -0.2324 -0.2324 0.3286 0.3286 1.1895 1.1895 1.3796 1.3796 2.5094 2.5094 5.1279 5.1279 6.7716 6.7716 7.1696 7.1696 7.5838 7.5838 8.5952 8.5952 9.2921 9.2921 10.7791 10.7791 k = 0.2071 0.5055 0.3108 ( 2042 PWs) bands (ev): -11.1192 -11.1192 -10.8074 -10.8074 -8.2849 -8.2849 -7.7426 -7.7426 -5.0288 -5.0288 -4.0545 -4.0545 -1.7298 -1.7298 -1.5285 -1.5285 -0.2506 -0.2506 0.3231 0.3231 1.2463 1.2463 1.4711 1.4711 2.4447 2.4447 5.1352 5.1352 6.8324 6.8324 7.2798 7.2798 7.5159 7.5159 8.6106 8.6106 9.3552 9.3552 10.8456 10.8456 k = 0.2180 0.5055 0.3108 ( 2044 PWs) bands (ev): -11.1016 -11.1016 -10.7664 -10.7664 -8.3011 -8.3011 -7.7240 -7.7240 -5.1511 -5.1511 -4.1201 -4.1201 -1.7464 -1.7464 -1.5116 -1.5116 -0.2677 -0.2677 0.3049 0.3049 1.3121 1.3121 1.5637 1.5637 2.3838 2.3838 5.1402 5.1402 6.8937 6.8937 7.3819 7.3819 7.4577 7.4577 8.6295 8.6295 9.4197 9.4197 10.9098 10.9098 k = 0.2289 0.5055 0.3108 ( 2046 PWs) bands (ev): -11.0835 -11.0835 -10.7237 -10.7237 -8.3178 -8.3178 -7.7055 -7.7055 -5.2726 -5.2726 -4.1825 -4.1825 -1.7660 -1.7660 -1.4958 -1.4958 -0.2830 -0.2830 0.2762 0.2762 1.3850 1.3850 1.6567 1.6567 2.3266 2.3266 5.1430 5.1430 6.9553 6.9553 7.3712 7.3712 7.5136 7.5136 8.6517 8.6517 9.4856 9.4856 10.9714 10.9714 k = 0.2398 0.5055 0.3108 ( 2044 PWs) bands (ev): -11.0652 -11.0652 -10.6792 -10.6792 -8.3349 -8.3349 -7.6870 -7.6870 -5.3933 -5.3933 -4.2414 -4.2414 -1.7886 -1.7886 -1.4810 -1.4810 -0.2962 -0.2962 0.2388 0.2388 1.4628 1.4628 1.7493 1.7493 2.2732 2.2732 5.1439 5.1439 7.0169 7.0169 7.3100 7.3100 7.6214 7.6214 8.6771 8.6771 9.5527 9.5527 11.0305 11.0305 k = 0.2507 0.5055 0.3108 ( 2044 PWs) bands (ev): -11.0467 -11.0467 -10.6330 -10.6330 -8.3523 -8.3523 -7.6686 -7.6686 -5.5131 -5.5131 -4.2968 -4.2968 -1.8137 -1.8137 -1.4673 -1.4673 -0.3070 -0.3070 0.1947 0.1947 1.5439 1.5439 1.8408 1.8408 2.2233 2.2233 5.1427 5.1427 7.0785 7.0785 7.2484 7.2484 7.7303 7.7303 8.7054 8.7054 9.6207 9.6207 11.0869 11.0869 k = 0.2616 0.5055 0.3108 ( 2042 PWs) bands (ev): -11.0283 -11.0283 -10.5852 -10.5852 -8.3698 -8.3698 -7.6504 -7.6504 -5.6319 -5.6319 -4.3486 -4.3486 -1.8412 -1.8412 -1.4545 -1.4545 -0.3151 -0.3151 0.1454 0.1454 1.6268 1.6268 1.9307 1.9307 2.1768 2.1768 5.1396 5.1396 7.1398 7.1398 7.1886 7.1886 7.8382 7.8382 8.7368 8.7368 9.6895 9.6895 11.1406 11.1406 k = 0.2725 0.5055 0.3108 ( 2042 PWs) bands (ev): -11.0100 -11.0100 -10.5356 -10.5356 -8.3873 -8.3873 -7.6326 -7.6326 -5.7496 -5.7496 -4.3967 -4.3967 -1.8707 -1.8707 -1.4426 -1.4426 -0.3207 -0.3207 0.0921 0.0921 1.7102 1.7102 2.0186 2.0186 2.1336 2.1336 5.1346 5.1346 7.1309 7.1309 7.2008 7.2008 7.9441 7.9441 8.7710 8.7710 9.7588 9.7588 11.1912 11.1912 k = 0.2834 0.5055 0.3108 ( 2046 PWs) bands (ev): -10.9921 -10.9921 -10.4844 -10.4844 -8.4047 -8.4047 -7.6151 -7.6151 -5.8661 -5.8661 -4.4411 -4.4411 -1.9019 -1.9019 -1.4318 -1.4318 -0.3237 -0.3237 0.0358 0.0358 1.7936 1.7936 2.0934 2.0934 2.1039 2.1039 5.1278 5.1278 7.0759 7.0759 7.2612 7.2612 8.0473 8.0473 8.8079 8.8079 9.8283 9.8283 11.2389 11.2389 k = 0.2943 0.5055 0.3108 ( 2046 PWs) bands (ev): -10.9748 -10.9748 -10.4316 -10.4316 -8.4218 -8.4218 -7.5980 -7.5980 -5.9812 -5.9812 -4.4818 -4.4818 -1.9343 -1.9343 -1.4219 -1.4219 -0.3242 -0.3242 -0.0225 -0.0225 1.8762 1.8762 2.0564 2.0564 2.1863 2.1863 5.1192 5.1192 7.0235 7.0235 7.3209 7.3209 8.1474 8.1474 8.8478 8.8478 9.8981 9.8981 11.2833 11.2833 k = 0.3052 0.5055 0.3108 ( 2046 PWs) bands (ev): -10.9584 -10.9584 -10.3772 -10.3772 -8.4383 -8.4383 -7.5816 -7.5816 -6.0950 -6.0950 -4.5188 -4.5188 -1.9676 -1.9676 -1.4130 -1.4130 -0.3224 -0.3224 -0.0822 -0.0822 1.9569 1.9569 2.0225 2.0225 2.2655 2.2655 5.1087 5.1087 6.9739 6.9739 7.3797 7.3797 8.2436 8.2436 8.8907 8.8907 9.9676 9.9676 11.3245 11.3245 k = 0.3161 0.5055 0.3108 ( 2048 PWs) bands (ev): -10.9430 -10.9430 -10.3212 -10.3212 -8.4539 -8.4539 -7.5658 -7.5658 -6.2072 -6.2072 -4.5522 -4.5522 -2.0013 -2.0013 -1.4052 -1.4052 -0.3185 -0.3185 -0.1426 -0.1426 1.9897 1.9897 2.0374 2.0374 2.3412 2.3412 5.0966 5.0966 6.9273 6.9273 7.4375 7.4375 8.3353 8.3353 8.9367 8.9367 10.0366 10.0366 11.3623 11.3623 k = 0.3270 0.5055 0.3108 ( 2050 PWs) bands (ev): -10.9288 -10.9288 -10.2638 -10.2638 -8.4684 -8.4684 -7.5507 -7.5507 -6.3178 -6.3178 -4.5820 -4.5820 -2.0351 -2.0351 -1.3984 -1.3984 -0.3126 -0.3126 -0.2031 -0.2031 1.9616 1.9616 2.1138 2.1138 2.4132 2.4132 5.0828 5.0828 6.8835 6.8835 7.4941 7.4941 8.4219 8.4219 8.9857 8.9857 10.1049 10.1049 11.3966 11.3966 k = 0.3379 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9162 -10.9162 -10.2048 -10.2048 -8.4815 -8.4815 -7.5365 -7.5365 -6.4268 -6.4268 -4.6085 -4.6085 -2.0685 -2.0685 -1.3928 -1.3928 -0.3050 -0.3050 -0.2632 -0.2632 1.9356 1.9356 2.1879 2.1879 2.4811 2.4811 5.0674 5.0674 6.8428 6.8428 7.5493 7.5493 8.5027 8.5027 9.0377 9.0377 10.1722 10.1722 11.4274 11.4274 k = 0.3488 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9054 -10.9054 -10.1445 -10.1445 -8.4929 -8.4929 -7.5233 -7.5233 -6.5339 -6.5339 -4.6316 -4.6316 -2.1012 -2.1012 -1.3883 -1.3883 -0.3226 -0.3226 -0.2957 -0.2957 1.9121 1.9121 2.2593 2.2593 2.5448 2.5448 5.0505 5.0505 6.8051 6.8051 7.6031 7.6031 8.5773 8.5773 9.0925 9.0925 10.2382 10.2382 11.4545 11.4545 k = 0.3597 0.5055 0.3108 ( 2050 PWs) bands (ev): -10.8965 -10.8965 -10.0829 -10.0829 -8.5022 -8.5022 -7.5111 -7.5111 -6.6391 -6.6391 -4.6515 -4.6515 -2.1329 -2.1329 -1.3851 -1.3851 -0.3805 -0.3805 -0.2853 -0.2853 1.8913 1.8913 2.3276 2.3276 2.6041 2.6041 5.0323 5.0323 6.7703 6.7703 7.6552 7.6552 8.6455 8.6455 9.1497 9.1497 10.3027 10.3027 11.4777 11.4777 k = 0.3706 0.5055 0.3108 ( 2052 PWs) bands (ev): -10.8900 -10.8900 -10.0200 -10.0200 -8.5092 -8.5092 -7.5002 -7.5002 -6.7421 -6.7421 -4.6684 -4.6684 -2.1631 -2.1631 -1.3832 -1.3832 -0.4369 -0.4369 -0.2736 -0.2736 1.8730 1.8730 2.3925 2.3925 2.6590 2.6590 5.0127 5.0127 6.7386 6.7386 7.7054 7.7054 8.7069 8.7069 9.2089 9.2089 10.3652 10.3652 11.4971 11.4971 k = 0.3815 0.5055 0.3108 ( 2056 PWs) bands (ev): -10.8858 -10.8858 -9.9561 -9.9561 -8.5135 -8.5135 -7.4907 -7.4907 -6.8429 -6.8429 -4.6825 -4.6825 -2.1917 -2.1917 -1.3826 -1.3826 -0.4914 -0.4914 -0.2611 -0.2611 1.8571 1.8571 2.4539 2.4539 2.7093 2.7093 4.9919 4.9919 6.7098 6.7098 7.7536 7.7536 8.7619 8.7619 9.2690 9.2690 10.4255 10.4255 11.5126 11.5126 k = 0.3924 0.5055 0.3108 ( 2050 PWs) bands (ev): -10.8843 -10.8843 -9.8911 -9.8911 -8.5149 -8.5149 -7.4828 -7.4828 -6.9411 -6.9411 -4.6939 -4.6939 -2.2182 -2.2182 -1.3834 -1.3834 -0.5435 -0.5435 -0.2477 -0.2477 1.8438 1.8438 2.5116 2.5116 2.7550 2.7550 4.9701 4.9701 6.6839 6.6839 7.7997 7.7997 8.8105 8.8105 9.3292 9.3292 10.4835 10.4835 11.5241 11.5241 k = 0.4033 0.5055 0.3108 ( 2052 PWs) bands (ev): -10.8857 -10.8857 -9.8253 -9.8253 -8.5132 -8.5132 -7.4767 -7.4767 -7.0363 -7.0363 -4.7028 -4.7028 -2.2426 -2.2426 -1.3856 -1.3856 -0.5931 -0.5931 -0.2338 -0.2338 1.8330 1.8330 2.5656 2.5656 2.7961 2.7961 4.9472 4.9472 6.6609 6.6609 7.8434 7.8434 8.8532 8.8532 9.3884 9.3884 10.5389 10.5389 11.5314 11.5314 k = 0.4142 0.5055 0.3108 ( 2050 PWs) bands (ev): -10.8900 -10.8900 -9.7589 -9.7589 -8.5081 -8.5081 -7.4730 -7.4730 -7.1280 -7.1280 -4.7094 -4.7094 -2.2644 -2.2644 -1.3893 -1.3893 -0.6397 -0.6397 -0.2195 -0.2195 1.8246 1.8246 2.6156 2.6156 2.8324 2.8324 4.9234 4.9234 6.6407 6.6407 7.8845 7.8845 8.8902 8.8902 9.4457 9.4457 10.5914 10.5914 11.5347 11.5347 k = 0.4251 0.5055 0.3108 ( 2052 PWs) bands (ev): -10.8973 -10.8973 -9.6920 -9.6920 -8.4995 -8.4995 -7.4729 -7.4729 -7.2147 -7.2147 -4.7139 -4.7139 -2.2836 -2.2836 -1.3946 -1.3946 -0.6832 -0.6832 -0.2051 -0.2051 1.8187 1.8187 2.6616 2.6616 2.8641 2.8641 4.8989 4.8989 6.6231 6.6231 7.9227 7.9227 8.9217 8.9217 9.5000 9.5000 10.6408 10.6408 11.5337 11.5337 k = 0.4360 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9076 -10.9076 -9.6250 -9.6250 -8.4873 -8.4873 -7.4788 -7.4788 -7.2937 -7.2937 -4.7164 -4.7164 -2.3000 -2.3000 -1.4014 -1.4014 -0.7232 -0.7232 -0.1906 -0.1906 1.8152 1.8152 2.7034 2.7034 2.8911 2.8911 4.8737 4.8737 6.6083 6.6083 7.9581 7.9581 8.9479 8.9479 9.5507 9.5507 10.6870 10.6870 11.5285 11.5285 k = 0.4360 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9076 -10.9076 -9.6250 -9.6250 -8.4873 -8.4873 -7.4788 -7.4788 -7.2937 -7.2937 -4.7164 -4.7164 -2.3000 -2.3000 -1.4014 -1.4014 -0.7232 -0.7232 -0.1906 -0.1906 1.8152 1.8152 2.7034 2.7034 2.8911 2.8911 4.8737 4.8737 6.6083 6.6083 7.9581 7.9581 8.9479 8.9479 9.5507 9.5507 10.6870 10.6870 11.5285 11.5285 k = 0.4287 0.4971 0.3108 ( 2054 PWs) bands (ev): -10.8880 -10.8880 -9.7299 -9.7299 -8.5105 -8.5105 -7.4609 -7.4609 -7.1786 -7.1786 -4.7133 -4.7133 -2.2755 -2.2755 -1.3889 -1.3889 -0.6609 -0.6609 -0.2140 -0.2140 1.8191 1.8191 2.6382 2.6382 2.8505 2.8505 4.9154 4.9154 6.6304 6.6304 7.9028 7.9028 8.9093 8.9093 9.4716 9.4716 10.6168 10.6168 11.5375 11.5375 k = 0.4215 0.4886 0.3108 ( 2050 PWs) bands (ev): -10.8663 -10.8663 -9.8351 -9.8351 -8.5358 -8.5358 -7.4411 -7.4411 -7.0624 -7.0624 -4.7089 -4.7089 -2.2488 -2.2488 -1.3752 -1.3752 -0.5936 -0.5936 -0.2385 -0.2385 1.8239 1.8239 2.5668 2.5668 2.8062 2.8062 4.9607 4.9607 6.6545 6.6545 7.8429 7.8429 8.8672 8.8672 9.3862 9.3862 10.5456 10.5456 11.5419 11.5419 k = 0.4142 0.4802 0.3108 ( 2054 PWs) bands (ev): -10.8424 -10.8424 -9.9402 -9.9402 -8.5634 -8.5634 -7.4193 -7.4193 -6.9456 -6.9456 -4.7030 -4.7030 -2.2199 -2.2199 -1.3603 -1.3603 -0.5220 -0.5220 -0.2639 -0.2639 1.8296 1.8296 2.4897 2.4897 2.7580 2.7580 5.0091 5.0091 6.6804 6.6804 7.7786 7.7786 8.8219 8.8219 9.2952 9.2952 10.4736 10.4736 11.5414 11.5414 k = 0.4069 0.4718 0.3108 ( 2050 PWs) bands (ev): -10.8165 -10.8165 -10.0448 -10.0448 -8.5929 -8.5929 -7.3957 -7.3957 -6.8286 -6.8286 -4.6954 -4.6954 -2.1890 -2.1890 -1.3444 -1.3444 -0.4464 -0.4464 -0.2896 -0.2896 1.8363 1.8363 2.4071 2.4071 2.7064 2.7064 5.0606 5.0606 6.7080 6.7080 7.7103 7.7103 8.7736 8.7736 9.1991 9.1991 10.4009 10.4009 11.5365 11.5365 k = 0.3997 0.4634 0.3108 ( 2048 PWs) bands (ev): -10.7885 -10.7885 -10.1489 -10.1489 -8.6245 -8.6245 -7.3701 -7.3701 -6.7117 -6.7117 -4.6860 -4.6860 -2.1563 -2.1563 -1.3277 -1.3277 -0.3675 -0.3675 -0.3152 -0.3152 1.8445 1.8445 2.3192 2.3192 2.6514 2.6514 5.1147 5.1147 6.7370 6.7370 7.6383 7.6383 8.7225 8.7225 9.0984 9.0984 10.3278 10.3278 11.5270 11.5270 k = 0.3924 0.4549 0.3108 ( 2052 PWs) bands (ev): -10.7584 -10.7584 -10.2520 -10.2520 -8.6580 -8.6580 -7.3427 -7.3427 -6.5952 -6.5952 -4.6747 -4.6747 -2.1220 -2.1220 -1.3101 -1.3101 -0.3405 -0.3405 -0.2858 -0.2858 1.8543 1.8543 2.2266 2.2266 2.5930 2.5930 5.1713 5.1713 6.7675 6.7675 7.5628 7.5628 8.6689 8.6689 8.9938 8.9938 10.2545 10.2545 11.5127 11.5127 k = 0.3851 0.4465 0.3108 ( 2052 PWs) bands (ev): -10.7262 -10.7262 -10.3541 -10.3541 -8.6931 -8.6931 -7.3134 -7.3134 -6.4793 -6.4793 -4.6611 -4.6611 -2.0864 -2.0864 -1.2918 -1.2918 -0.3645 -0.3645 -0.2020 -0.2020 1.8659 1.8659 2.1294 2.1294 2.5315 2.5315 5.2299 5.2299 6.7992 6.7992 7.4843 7.4843 8.6131 8.6131 8.8858 8.8858 10.1812 10.1812 11.4940 11.4940 k = 0.3779 0.4381 0.3108 ( 2052 PWs) bands (ev): -10.6919 -10.6919 -10.4551 -10.4551 -8.7300 -8.7300 -7.2821 -7.2821 -6.3643 -6.3643 -4.6454 -4.6454 -2.0499 -2.0499 -1.2730 -1.2730 -0.3869 -0.3869 -0.1168 -0.1168 1.8799 1.8799 2.0281 2.0281 2.4669 2.4669 5.2905 5.2905 6.8319 6.8319 7.4030 7.4030 8.5553 8.5553 8.7751 8.7751 10.1079 10.1079 11.4709 11.4709 k = 0.3706 0.4297 0.3108 ( 2052 PWs) bands (ev): -10.6555 -10.6555 -10.5549 -10.5549 -8.7683 -8.7683 -7.2490 -7.2490 -6.2504 -6.2504 -4.6272 -4.6272 -2.0127 -2.0127 -1.2538 -1.2538 -0.4072 -0.4072 -0.0308 -0.0308 1.8963 1.8963 1.9232 1.9232 2.3995 2.3995 5.3527 5.3527 6.8655 6.8655 7.3192 7.3192 8.4958 8.4958 8.6622 8.6622 10.0349 10.0349 11.4436 11.4436 k = 0.3633 0.4212 0.3108 ( 2052 PWs) bands (ev): -10.6534 -10.6534 -10.6170 -10.6170 -8.8080 -8.8080 -7.2140 -7.2140 -6.1378 -6.1378 -4.6067 -4.6067 -1.9754 -1.9754 -1.2344 -1.2344 -0.4246 -0.4246 0.0550 0.0550 1.8149 1.8149 1.9161 1.9161 2.3291 2.3291 5.4163 5.4163 6.8996 6.8996 7.2333 7.2333 8.4348 8.4348 8.5478 8.5478 9.9622 9.9622 11.4121 11.4121 k = 0.3561 0.4128 0.3108 ( 2054 PWs) bands (ev): -10.7505 -10.7505 -10.5764 -10.5764 -8.8491 -8.8491 -7.1771 -7.1771 -6.0266 -6.0266 -4.5836 -4.5836 -1.9384 -1.9384 -1.2151 -1.2151 -0.4386 -0.4386 0.1399 0.1399 1.7041 1.7041 1.9394 1.9394 2.2560 2.2560 5.4809 5.4809 6.9340 6.9340 7.1455 7.1455 8.3726 8.3726 8.4326 8.4326 9.8901 9.8901 11.3765 11.3765 k = 0.3488 0.4044 0.3108 ( 2046 PWs) bands (ev): -10.8462 -10.8462 -10.5337 -10.5337 -8.8912 -8.8912 -7.1383 -7.1383 -5.9171 -5.9171 -4.5579 -4.5579 -1.9022 -1.9022 -1.1962 -1.1962 -0.4483 -0.4483 0.2230 0.2230 1.5911 1.5911 1.9669 1.9669 2.1803 2.1803 5.5464 5.5464 6.9681 6.9681 7.0562 7.0562 8.3093 8.3093 8.3177 8.3177 9.8185 9.8185 11.3369 11.3369 k = 0.3415 0.3960 0.3108 ( 2046 PWs) bands (ev): -10.9404 -10.9404 -10.4890 -10.4890 -8.9343 -8.9343 -7.0977 -7.0977 -5.8094 -5.8094 -4.5297 -4.5297 -1.8673 -1.8673 -1.1780 -1.1780 -0.4533 -0.4533 0.3032 0.3032 1.4764 1.4764 1.9992 1.9992 2.1020 2.1020 5.6124 5.6124 6.9655 6.9655 7.0014 7.0014 8.2029 8.2029 8.2461 8.2461 9.7475 9.7475 11.2937 11.2937 k = 0.3343 0.3875 0.3108 ( 2046 PWs) bands (ev): -11.0330 -11.0330 -10.4422 -10.4422 -8.9783 -8.9783 -7.0552 -7.0552 -5.7037 -5.7037 -4.4988 -4.4988 -1.8344 -1.8344 -1.1611 -1.1611 -0.4527 -0.4527 0.3797 0.3797 1.3605 1.3605 2.0212 2.0212 2.0368 2.0368 5.6787 5.6787 6.8739 6.8739 7.0329 7.0329 8.0908 8.0908 8.1823 8.1823 9.6774 9.6774 11.2468 11.2468 k = 0.3270 0.3791 0.3108 ( 2038 PWs) bands (ev): -11.1241 -11.1241 -10.3933 -10.3933 -9.0231 -9.0231 -7.0109 -7.0109 -5.6002 -5.6002 -4.4652 -4.4652 -1.8037 -1.8037 -1.1460 -1.1460 -0.4461 -0.4461 0.4516 0.4516 1.2448 1.2448 1.9382 1.9382 2.0803 2.0803 5.7449 5.7449 6.7817 6.7817 7.0612 7.0612 7.9826 7.9826 8.1187 8.1187 9.6080 9.6080 11.1964 11.1964 k = 0.3197 0.3707 0.3108 ( 2038 PWs) bands (ev): -11.2135 -11.2135 -10.3423 -10.3423 -9.0684 -9.0684 -6.9647 -6.9647 -5.4991 -5.4991 -4.4290 -4.4290 -1.7758 -1.7758 -1.1334 -1.1334 -0.4328 -0.4328 0.5181 0.5181 1.1299 1.1299 1.8529 1.8529 2.1301 2.1301 5.8107 5.8107 6.6892 6.6892 7.0839 7.0839 7.8808 7.8808 8.0555 8.0555 9.5394 9.5394 11.1428 11.1428 k = 0.3125 0.3623 0.3108 ( 2046 PWs) bands (ev): -11.3013 -11.3013 -10.2893 -10.2893 -9.1143 -9.1143 -6.9167 -6.9167 -5.4005 -5.4005 -4.3902 -4.3902 -1.7510 -1.7510 -1.1241 -1.1241 -0.4127 -0.4127 0.5784 0.5784 1.0167 1.0167 1.7653 1.7653 2.1864 2.1864 5.8759 5.8759 6.5968 6.5968 7.0975 7.0975 7.7894 7.7894 7.9931 7.9931 9.4717 9.4717 11.0860 11.0860 k = 0.3052 0.3538 0.3108 ( 2046 PWs) bands (ev): -11.3873 -11.3873 -10.2342 -10.2342 -9.1605 -9.1605 -6.8668 -6.8668 -5.3046 -5.3046 -4.3488 -4.3488 -1.7293 -1.7293 -1.1190 -1.1190 -0.3855 -0.3855 0.6321 0.6321 0.9066 0.9066 1.6756 1.6756 2.2494 2.2494 5.9402 5.9402 6.5049 6.5049 7.0967 7.0967 7.7137 7.7137 7.9323 7.9323 9.4049 9.4049 11.0264 11.0264 k = 0.2979 0.3454 0.3108 ( 2038 PWs) bands (ev): -11.4716 -11.4716 -10.1770 -10.1770 -9.2069 -9.2069 -6.8152 -6.8152 -5.2115 -5.2115 -4.3047 -4.3047 -1.7106 -1.7106 -1.1196 -1.1196 -0.3513 -0.3513 0.6791 0.6791 0.8010 0.8010 1.5840 1.5840 2.3186 2.3186 6.0030 6.0030 6.4140 6.4140 7.0757 7.0757 7.6599 7.6599 7.8734 7.8734 9.3393 9.3393 10.9639 10.9639 k = 0.2907 0.3370 0.3108 ( 2042 PWs) bands (ev): -11.5541 -11.5541 -10.1177 -10.1177 -9.2535 -9.2535 -6.7617 -6.7617 -5.1214 -5.1214 -4.2581 -4.2581 -1.6947 -1.6947 -1.1271 -1.1271 -0.3104 -0.3104 0.7010 0.7010 0.7191 0.7191 1.4900 1.4900 2.3937 2.3937 6.0641 6.0641 6.3244 6.3244 7.0311 7.0311 7.6313 7.6313 7.8167 7.8167 9.2745 9.2745 10.8990 10.8990 k = 0.2834 0.3286 0.3108 ( 2044 PWs) bands (ev): -11.6349 -11.6349 -10.0565 -10.0565 -9.3001 -9.3001 -6.7064 -6.7064 -5.0344 -5.0344 -4.2090 -4.2090 -1.6813 -1.6813 -1.1431 -1.1431 -0.2632 -0.2632 0.6090 0.6090 0.7523 0.7523 1.3945 1.3945 2.4738 2.4738 6.1230 6.1230 6.2368 6.2368 6.9650 6.9650 7.6263 7.6263 7.7631 7.7631 9.2108 9.2108 10.8316 10.8316 k = 0.2761 0.3201 0.3108 ( 2048 PWs) bands (ev): -11.7138 -11.7138 -9.9932 -9.9932 -9.3466 -9.3466 -6.6493 -6.6493 -4.9507 -4.9507 -4.1574 -4.1574 -1.6696 -1.6696 -1.1691 -1.1691 -0.2104 -0.2104 0.5263 0.5263 0.7791 0.7791 1.2971 1.2971 2.5579 2.5579 6.1518 6.1518 6.1791 6.1791 6.8833 6.8833 7.6392 7.6392 7.7131 7.7131 9.1482 9.1482 10.7621 10.7621 k = 0.2689 0.3117 0.3108 ( 2056 PWs) bands (ev): -11.7909 -11.7909 -9.9278 -9.9278 -9.3929 -9.3929 -6.5905 -6.5905 -4.8705 -4.8705 -4.1033 -4.1033 -1.6591 -1.6591 -1.2067 -1.2067 -0.1527 -0.1527 0.4545 0.4545 0.7999 0.7999 1.1977 1.1977 2.6448 2.6448 6.0701 6.0701 6.2319 6.2319 6.7915 6.7915 7.6641 7.6641 7.6674 7.6674 9.0866 9.0866 10.6904 10.6904 k = 0.2616 0.3033 0.3108 ( 2048 PWs) bands (ev): -11.8661 -11.8661 -9.8604 -9.8604 -9.4389 -9.4389 -6.5299 -6.5299 -4.7938 -4.7938 -4.0468 -4.0468 -1.6492 -1.6492 -1.2569 -1.2569 -0.0908 -0.0908 0.3951 0.3951 0.8152 0.8152 1.0968 1.0968 2.7331 2.7331 5.9926 5.9926 6.2809 6.2809 6.6945 6.6945 7.6267 7.6267 7.6971 7.6971 9.0264 9.0264 10.6171 10.6171 k = 0.2543 0.2949 0.3108 ( 2046 PWs) bands (ev): -11.9395 -11.9395 -9.7910 -9.7910 -9.4845 -9.4845 -6.4675 -6.4675 -4.7208 -4.7208 -3.9879 -3.9879 -1.6391 -1.6391 -1.3203 -1.3203 -0.0256 -0.0256 0.3485 0.3485 0.8255 0.8255 0.9944 0.9944 2.8213 2.8213 5.9203 5.9203 6.3256 6.3256 6.5947 6.5947 7.5918 7.5918 7.7353 7.7353 8.9671 8.9671 10.5422 10.5422 k = 0.2471 0.2864 0.3108 ( 2050 PWs) bands (ev): -12.0109 -12.0109 -9.7195 -9.7195 -9.5297 -9.5297 -6.4034 -6.4034 -4.6517 -4.6517 -3.9267 -3.9267 -1.6285 -1.6285 -1.3969 -1.3969 0.0422 0.0422 0.3149 0.3149 0.8310 0.8310 0.8903 0.8903 2.9077 2.9077 5.8542 5.8542 6.3652 6.3652 6.4938 6.4938 7.5634 7.5634 7.7770 7.7770 8.9090 8.9090 10.4658 10.4658 k = 0.2398 0.2780 0.3108 ( 2050 PWs) bands (ev): -12.0805 -12.0805 -9.6461 -9.6461 -9.5743 -9.5743 -6.3376 -6.3376 -4.5866 -4.5866 -3.8632 -3.8632 -1.6165 -1.6165 -1.4859 -1.4859 0.1117 0.1117 0.2935 0.2935 0.7848 0.7848 0.8324 0.8324 2.9906 2.9906 5.7958 5.7958 6.3932 6.3932 6.3997 6.3997 7.5421 7.5421 7.8213 7.8213 8.8521 8.8521 10.3884 10.3884 k = 0.2325 0.2696 0.3108 ( 2046 PWs) bands (ev): -12.1480 -12.1480 -9.6182 -9.6182 -9.5706 -9.5706 -6.2701 -6.2701 -4.5254 -4.5254 -3.7975 -3.7975 -1.6028 -1.6028 -1.5861 -1.5861 0.1822 0.1822 0.2834 0.2834 0.6779 0.6779 0.8299 0.8299 3.0680 3.0680 5.7463 5.7463 6.2935 6.2935 6.4285 6.4285 7.5283 7.5283 7.8674 7.8674 8.7963 8.7963 10.3101 10.3101 k = 0.2253 0.2612 0.3108 ( 2046 PWs) bands (ev): -12.2137 -12.2137 -9.6614 -9.6614 -9.4931 -9.4931 -6.2009 -6.2009 -4.4684 -4.4684 -3.7296 -3.7296 -1.6962 -1.6962 -1.5867 -1.5867 0.2528 0.2528 0.2831 0.2831 0.5696 0.5696 0.8238 0.8238 3.1381 3.1381 5.7074 5.7074 6.1953 6.1953 6.4519 6.4519 7.5223 7.5223 7.9147 7.9147 8.7416 8.7416 10.2310 10.2310 k = 0.2180 0.2527 0.3108 ( 2038 PWs) bands (ev): -12.2774 -12.2774 -9.7038 -9.7038 -9.4135 -9.4135 -6.1300 -6.1300 -4.4154 -4.4154 -3.6595 -3.6595 -1.8147 -1.8147 -1.5680 -1.5680 0.2913 0.2913 0.3229 0.3229 0.4601 0.4601 0.8144 0.8144 3.1992 3.1992 5.6804 5.6804 6.0990 6.0990 6.4702 6.4702 7.5239 7.5239 7.9630 7.9630 8.6882 8.6882 10.1515 10.1515 k = 0.2107 0.2443 0.3108 ( 2038 PWs) bands (ev): -12.3390 -12.3390 -9.7454 -9.7454 -9.3321 -9.3321 -6.0575 -6.0575 -4.3667 -4.3667 -3.5875 -3.5875 -1.9402 -1.9402 -1.5464 -1.5464 0.3066 0.3066 0.3493 0.3493 0.3917 0.3917 0.8019 0.8019 3.2493 3.2493 5.6668 5.6668 6.0049 6.0049 6.4839 6.4839 7.5325 7.5325 8.0118 8.0118 8.6359 8.6359 10.0717 10.0717 k = 0.2035 0.2359 0.3108 ( 2042 PWs) bands (ev): -12.3987 -12.3987 -9.7861 -9.7861 -9.2486 -9.2486 -5.9834 -5.9834 -4.3220 -4.3220 -3.5134 -3.5134 -2.0717 -2.0717 -1.5215 -1.5215 0.2374 0.2374 0.3277 0.3277 0.4584 0.4584 0.7862 0.7862 3.2872 3.2872 5.6675 5.6675 5.9132 5.9132 6.4941 6.4941 7.5476 7.5476 8.0609 8.0609 8.5847 8.5847 9.9918 9.9918 k = 0.1962 0.2275 0.3108 ( 2040 PWs) bands (ev): -12.4564 -12.4564 -9.8258 -9.8258 -9.1631 -9.1631 -5.9077 -5.9077 -4.2814 -4.2814 -3.4374 -3.4374 -2.2076 -2.2076 -1.4932 -1.4932 0.1245 0.1245 0.3538 0.3538 0.5225 0.5225 0.7678 0.7678 3.3122 3.3122 5.6832 5.6832 5.8242 5.8242 6.5019 6.5019 7.5683 7.5683 8.1103 8.1103 8.5346 8.5346 9.9122 9.9122 k = 0.1889 0.2190 0.3108 ( 2044 PWs) bands (ev): -12.5121 -12.5121 -9.8644 -9.8644 -9.0757 -9.0757 -5.8304 -5.8304 -4.2448 -4.2448 -3.3595 -3.3595 -2.3475 -2.3475 -1.4614 -1.4614 0.0106 0.0106 0.3836 0.3836 0.5832 0.5832 0.7466 0.7466 3.3239 3.3239 5.7138 5.7138 5.7379 5.7379 6.5084 6.5084 7.5935 7.5935 8.1596 8.1596 8.4857 8.4857 9.8330 9.8330 k = 0.1817 0.2106 0.3108 ( 2050 PWs) bands (ev): -12.5658 -12.5658 -9.9020 -9.9020 -8.9863 -8.9863 -5.7516 -5.7516 -4.2121 -4.2121 -3.2799 -3.2799 -2.4904 -2.4904 -1.4260 -1.4260 -0.1040 -0.1040 0.4167 0.4167 0.6399 0.6399 0.7225 0.7225 3.3230 3.3230 5.6544 5.6544 5.7585 5.7585 6.5147 6.5147 7.6221 7.6221 8.2087 8.2087 8.4379 8.4379 9.7546 9.7546 k = 0.1744 0.2022 0.3108 ( 2050 PWs) bands (ev): -12.6174 -12.6174 -9.9384 -9.9384 -8.8950 -8.8950 -5.6714 -5.6714 -4.1830 -4.1830 -3.1985 -3.1985 -2.6356 -2.6356 -1.3870 -1.3870 -0.2194 -0.2194 0.4522 0.4522 0.6918 0.6918 0.6961 0.6961 3.3105 3.3105 5.5740 5.5740 5.8163 5.8163 6.5219 6.5219 7.6534 7.6534 8.2575 8.2575 8.3913 8.3913 9.6772 9.6772 k = 0.1671 0.1938 0.3108 ( 2052 PWs) bands (ev): -12.6670 -12.6670 -9.9737 -9.9737 -8.8017 -8.8017 -5.5896 -5.5896 -4.1575 -4.1575 -3.1154 -3.1154 -2.7827 -2.7827 -1.3445 -1.3445 -0.3354 -0.3354 0.4897 0.4897 0.6663 0.6663 0.7394 0.7394 3.2876 3.2876 5.4967 5.4967 5.8857 5.8857 6.5309 6.5309 7.6864 7.6864 8.3058 8.3058 8.3457 8.3457 9.6009 9.6009 k = 0.1599 0.1853 0.3108 ( 2052 PWs) bands (ev): -12.7146 -12.7146 -10.0077 -10.0077 -8.7065 -8.7065 -5.5065 -5.5065 -4.1352 -4.1352 -3.0308 -3.0308 -2.9312 -2.9312 -1.2986 -1.2986 -0.4520 -0.4520 0.5286 0.5286 0.6340 0.6340 0.7811 0.7811 3.2560 3.2560 5.4225 5.4225 5.9647 5.9647 6.5424 6.5424 7.7205 7.7205 8.3013 8.3013 8.3536 8.3536 9.5262 9.5262 k = 0.1526 0.1769 0.3108 ( 2044 PWs) bands (ev): -12.7601 -12.7601 -10.0405 -10.0405 -8.6093 -8.6093 -5.4219 -5.4219 -4.1160 -4.1160 -3.0807 -3.0807 -2.9446 -2.9446 -1.2492 -1.2492 -0.5689 -0.5689 0.5686 0.5686 0.5990 0.5990 0.8171 0.8171 3.2175 3.2175 5.3515 5.3515 6.0517 6.0517 6.5570 6.5570 7.7550 7.7550 8.2580 8.2580 8.4005 8.4005 9.4532 9.4532 k = 0.1453 0.1685 0.3108 ( 2044 PWs) bands (ev): -12.8035 -12.8035 -10.0719 -10.0719 -8.5103 -8.5103 -5.3361 -5.3361 -4.0997 -4.0997 -3.2310 -3.2310 -2.8570 -2.8570 -1.1967 -1.1967 -0.6862 -0.6862 0.5609 0.5609 0.6092 0.6092 0.8469 0.8469 3.1735 3.1735 5.2837 5.2837 6.1448 6.1448 6.5751 6.5751 7.7894 7.7894 8.2159 8.2159 8.4465 8.4465 9.3821 9.3821 k = 0.1381 0.1601 0.3108 ( 2040 PWs) bands (ev): -12.8448 -12.8448 -10.1021 -10.1021 -8.4094 -8.4094 -5.2490 -5.2490 -4.0860 -4.0860 -3.3818 -3.3818 -2.7681 -2.7681 -1.1413 -1.1413 -0.8036 -0.8036 0.5201 0.5201 0.6501 0.6501 0.8704 0.8704 3.1256 3.1256 5.2192 5.2192 6.2423 6.2423 6.5968 6.5968 7.8233 7.8233 8.1748 8.1748 8.4915 8.4915 9.3131 9.3131 k = 0.1308 0.1516 0.3108 ( 2044 PWs) bands (ev): -12.8840 -12.8840 -10.1308 -10.1308 -8.3066 -8.3066 -5.1608 -5.1608 -4.0746 -4.0746 -3.5329 -3.5329 -2.6780 -2.6780 -1.0831 -1.0831 -0.9211 -0.9211 0.4762 0.4762 0.6909 0.6909 0.8873 0.8873 3.0750 3.0750 5.1579 5.1579 6.3429 6.3429 6.6224 6.6224 7.8562 7.8562 8.1349 8.1349 8.5352 8.5352 9.2466 9.2466 k = 0.1235 0.1432 0.3108 ( 2046 PWs) bands (ev): -12.9212 -12.9212 -10.1583 -10.1583 -8.2019 -8.2019 -5.0715 -5.0715 -4.0653 -4.0653 -3.6839 -3.6839 -2.5867 -2.5867 -1.0385 -1.0385 -1.0224 -1.0224 0.4292 0.4292 0.7314 0.7314 0.8976 0.8976 3.0229 3.0229 5.1000 5.1000 6.4450 6.4450 6.6515 6.6515 7.8878 7.8878 8.0961 8.0961 8.5777 8.5777 9.1828 9.1828 k = 0.1163 0.1348 0.3108 ( 2038 PWs) bands (ev): -12.9563 -12.9563 -10.1842 -10.1842 -8.0953 -8.0953 -4.9812 -4.9812 -4.0578 -4.0578 -3.8347 -3.8347 -2.4944 -2.4944 -1.1555 -1.1555 -0.9594 -0.9594 0.3792 0.3792 0.7714 0.7714 0.9014 0.9014 2.9704 2.9704 5.0453 5.0453 6.5476 6.5476 6.6843 6.6843 7.9179 7.9179 8.0587 8.0587 8.6187 8.6187 9.1218 9.1218 k = 0.1090 0.1264 0.3108 ( 2040 PWs) bands (ev): -12.9892 -12.9892 -10.2087 -10.2087 -7.9870 -7.9870 -4.8901 -4.8901 -4.0520 -4.0520 -3.9853 -3.9853 -2.4011 -2.4011 -1.2721 -1.2721 -0.8943 -0.8943 0.3261 0.3261 0.8104 0.8104 0.8987 0.8987 2.9184 2.9184 4.9940 4.9940 6.6495 6.6495 6.7202 6.7202 7.9462 7.9462 8.0225 8.0225 8.6580 8.6580 9.0639 9.0639 k = 0.1017 0.1179 0.3108 ( 2036 PWs) bands (ev): -13.0201 -13.0201 -10.2317 -10.2317 -7.8769 -7.8769 -4.7983 -4.7983 -4.1354 -4.1354 -4.0475 -4.0475 -2.3072 -2.3072 -1.3880 -1.3880 -0.8275 -0.8275 0.2698 0.2698 0.8483 0.8483 0.8897 0.8897 2.8675 2.8675 4.9460 4.9460 6.7493 6.7493 6.7592 6.7592 7.9725 7.9725 7.9878 7.9878 8.6956 8.6956 9.0092 9.0092 k = 0.0945 0.1095 0.3108 ( 2036 PWs) bands (ev): -13.0488 -13.0488 -10.2532 -10.2532 -7.7650 -7.7650 -4.7060 -4.7060 -4.2849 -4.2849 -4.0441 -4.0441 -2.2126 -2.2126 -1.5031 -1.5031 -0.7591 -0.7591 0.2106 0.2106 0.8746 0.8746 0.8848 0.8848 2.8183 2.8183 4.9013 4.9013 6.7996 6.7996 6.8472 6.8472 7.9543 7.9543 7.9968 7.9968 8.7313 8.7313 8.9578 8.9578 k = 0.0872 0.1011 0.3108 ( 2036 PWs) bands (ev): -13.0755 -13.0755 -10.2732 -10.2732 -7.6513 -7.6513 -4.6133 -4.6133 -4.4337 -4.4337 -4.0418 -4.0418 -2.1176 -2.1176 -1.6170 -1.6170 -0.6894 -0.6894 0.1483 0.1483 0.8537 0.8537 0.9196 0.9196 2.7715 2.7715 4.8600 4.8600 6.8420 6.8420 6.9411 6.9411 7.9226 7.9226 8.0189 8.0189 8.7650 8.7650 8.9100 8.9100 k = 0.0799 0.0927 0.3108 ( 2028 PWs) bands (ev): -13.1000 -13.1000 -10.2916 -10.2916 -7.5358 -7.5358 -4.5817 -4.5817 -4.5206 -4.5206 -4.0403 -4.0403 -2.0223 -2.0223 -1.7293 -1.7293 -0.6188 -0.6188 0.0832 0.0832 0.8274 0.8274 0.9527 0.9527 2.7274 2.7274 4.8220 4.8220 6.8856 6.8856 7.0308 7.0308 7.8925 7.8925 8.0387 8.0387 8.7966 8.7966 8.8659 8.8659 k = 0.0727 0.0842 0.3108 ( 2032 PWs) bands (ev): -13.1224 -13.1224 -10.3085 -10.3085 -7.4187 -7.4187 -4.7288 -4.7288 -4.4283 -4.4283 -4.0394 -4.0394 -1.9272 -1.9272 -1.8398 -1.8398 -0.5475 -0.5475 0.0155 0.0155 0.7958 0.7958 0.9837 0.9837 2.6863 2.6863 4.7872 4.7872 6.9291 6.9291 7.1153 7.1153 7.8642 7.8642 8.0561 8.0561 8.8254 8.8254 8.8259 8.8259 k = 0.0654 0.0758 0.3108 ( 2040 PWs) bands (ev): -13.1427 -13.1427 -10.3238 -10.3238 -7.3000 -7.3000 -4.8748 -4.8748 -4.3369 -4.3369 -4.0391 -4.0391 -1.9479 -1.9479 -1.8323 -1.8323 -0.4759 -0.4759 -0.0546 -0.0546 0.7597 0.7597 1.0124 1.0124 2.6486 2.6486 4.7559 4.7559 6.9720 6.9720 7.1941 7.1941 7.8379 7.8379 8.0713 8.0713 8.7887 8.7887 8.8527 8.8527 k = 0.0581 0.0674 0.3108 ( 2048 PWs) bands (ev): -13.1609 -13.1609 -10.3376 -10.3376 -7.1796 -7.1796 -5.0198 -5.0198 -4.2469 -4.2469 -4.0391 -4.0391 -2.0528 -2.0528 -1.7382 -1.7382 -0.4045 -0.4045 -0.1266 -0.1266 0.7194 0.7194 1.0386 1.0386 2.6144 2.6144 4.7277 4.7277 7.0134 7.0134 7.2664 7.2664 7.8139 7.8139 8.0840 8.0840 8.7558 8.7558 8.8770 8.8770 k = 0.0509 0.0590 0.3108 ( 2044 PWs) bands (ev): -13.1769 -13.1769 -10.3497 -10.3497 -7.0577 -7.0577 -5.1634 -5.1634 -4.1592 -4.1592 -4.0393 -4.0393 -2.1537 -2.1537 -1.6454 -1.6454 -0.3334 -0.3334 -0.2001 -0.2001 0.6757 0.6757 1.0623 1.0623 2.5841 2.5841 4.7030 4.7030 7.0527 7.0527 7.3318 7.3318 7.7921 7.7921 8.0948 8.0948 8.7268 8.7268 8.8989 8.8989 k = 0.0436 0.0505 0.3108 ( 2048 PWs) bands (ev): -13.1908 -13.1908 -10.3603 -10.3603 -6.9344 -6.9344 -5.3056 -5.3056 -4.0750 -4.0750 -4.0397 -4.0397 -2.2495 -2.2495 -1.5546 -1.5546 -0.2743 -0.2743 -0.2636 -0.2636 0.6290 0.6290 1.0831 1.0831 2.5576 2.5576 4.6816 4.6816 7.0888 7.0888 7.3896 7.3896 7.7728 7.7728 8.1033 8.1033 8.7017 8.7017 8.9180 8.9180 k = 0.0363 0.0421 0.3108 ( 2052 PWs) bands (ev): -13.2026 -13.2026 -10.3693 -10.3693 -6.8099 -6.8099 -5.4462 -5.4462 -4.0403 -4.0403 -3.9960 -3.9960 -2.3384 -2.3384 -1.4670 -1.4670 -0.3479 -0.3479 -0.1957 -0.1957 0.5805 0.5805 1.1010 1.1010 2.5350 2.5350 4.6634 4.6634 7.1211 7.1211 7.4394 7.4394 7.7562 7.7562 8.1102 8.1102 8.6805 8.6805 8.9343 8.9343 k = 0.0291 0.0337 0.3108 ( 2052 PWs) bands (ev): -13.2122 -13.2122 -10.3766 -10.3766 -6.6846 -6.6846 -5.5848 -5.5848 -4.0408 -4.0408 -3.9241 -3.9241 -2.4184 -2.4184 -1.3842 -1.3842 -0.4193 -0.4193 -0.1309 -0.1309 0.5315 0.5315 1.1159 1.1159 2.5165 2.5165 4.6486 4.6486 7.1487 7.1487 7.4808 7.4808 7.7424 7.7424 8.1154 8.1154 8.6631 8.6631 8.9477 8.9477 k = 0.0218 0.0253 0.3108 ( 2056 PWs) bands (ev): -13.2197 -13.2197 -10.3823 -10.3823 -6.5590 -6.5590 -5.7206 -5.7206 -4.0412 -4.0412 -3.8622 -3.8622 -2.4865 -2.4865 -1.3092 -1.3092 -0.4856 -0.4856 -0.0714 -0.0714 0.4840 0.4840 1.1275 1.1275 2.5021 2.5021 4.6370 4.6370 7.1709 7.1709 7.5133 7.5133 7.7315 7.7315 8.1191 8.1191 8.6496 8.6496 8.9583 8.9583 k = 0.0145 0.0168 0.3108 ( 2056 PWs) bands (ev): -13.2250 -13.2250 -10.3864 -10.3864 -6.4354 -6.4354 -5.8516 -5.8516 -4.0416 -4.0416 -3.8139 -3.8139 -2.5393 -2.5393 -1.2464 -1.2464 -0.5421 -0.5421 -0.0205 -0.0205 0.4419 0.4419 1.1359 1.1359 2.4918 2.4918 4.6288 4.6288 7.1873 7.1873 7.5368 7.5368 7.7236 7.7236 8.1217 8.1217 8.6400 8.6400 8.9658 8.9658 k = 0.0073 0.0084 0.3108 ( 2062 PWs) bands (ev): -13.2282 -13.2282 -10.3889 -10.3889 -6.3213 -6.3213 -5.9701 -5.9701 -4.0418 -4.0418 -3.7829 -3.7829 -2.5731 -2.5731 -1.2032 -1.2032 -0.5817 -0.5817 0.0154 0.0154 0.4109 0.4109 1.1410 1.1410 2.4856 2.4856 4.6238 4.6238 7.1973 7.1973 7.5506 7.5506 7.7189 7.7189 8.1230 8.1230 8.6342 8.6342 8.9703 8.9703 k = 0.0000 0.0000 0.3108 ( 2066 PWs) bands (ev): -13.2293 -13.2293 -10.3897 -10.3897 -6.2591 -6.2591 -6.0338 -6.0338 -4.0419 -4.0419 -3.7722 -3.7722 -2.5847 -2.5847 -1.1874 -1.1874 -0.5962 -0.5962 0.0288 0.0288 0.3992 0.3992 1.1425 1.1425 2.4835 2.4835 4.6222 4.6222 7.2006 7.2006 7.5554 7.5554 7.7173 7.7173 8.1234 8.1234 8.6323 8.6323 8.9717 8.9717 k = 0.0000 0.0000 0.3108 ( 2066 PWs) bands (ev): -13.2293 -13.2293 -10.3897 -10.3897 -6.2591 -6.2591 -6.0338 -6.0338 -4.0419 -4.0419 -3.7722 -3.7722 -2.5847 -2.5847 -1.1874 -1.1874 -0.5962 -0.5962 0.0288 0.0288 0.3992 0.3992 1.1425 1.1425 2.4835 2.4835 4.6222 4.6222 7.2006 7.2006 7.5554 7.5554 7.7173 7.7173 8.1234 8.1234 8.6323 8.6323 8.9717 8.9717 k = 0.0000 0.0000 0.2997 ( 2062 PWs) bands (ev): -13.2294 -13.2294 -10.3892 -10.3892 -6.2592 -6.2592 -6.0338 -6.0338 -4.0431 -4.0431 -3.7720 -3.7720 -2.5845 -2.5845 -1.1875 -1.1875 -0.5964 -0.5964 0.0289 0.0289 0.3989 0.3989 1.1423 1.1423 2.4874 2.4874 4.6224 4.6224 7.1970 7.1970 7.5554 7.5554 7.7148 7.7148 8.1236 8.1236 8.6263 8.6263 8.9806 8.9806 k = 0.0000 0.0000 0.2886 ( 2062 PWs) bands (ev): -13.2299 -13.2299 -10.3879 -10.3879 -6.2593 -6.2593 -6.0341 -6.0341 -4.0467 -4.0467 -3.7715 -3.7715 -2.5839 -2.5839 -1.1877 -1.1877 -0.5968 -0.5968 0.0293 0.0293 0.3979 0.3979 1.1414 1.1414 2.4989 2.4989 4.6229 4.6229 7.1861 7.1861 7.5555 7.5555 7.7073 7.7073 8.1241 8.1241 8.6101 8.6101 9.0049 9.0049 k = 0.0000 0.0000 0.2775 ( 2060 PWs) bands (ev): -13.2305 -13.2305 -10.3857 -10.3857 -6.2595 -6.2595 -6.0344 -6.0344 -4.0527 -4.0527 -3.7707 -3.7707 -2.5828 -2.5828 -1.1882 -1.1882 -0.5975 -0.5975 0.0300 0.0300 0.3964 0.3964 1.1399 1.1399 2.5180 2.5180 4.6238 4.6238 7.1681 7.1681 7.5557 7.5557 7.6949 7.6949 8.1250 8.1250 8.5877 8.5877 9.0407 9.0407 k = 0.0000 0.0000 0.2664 ( 2062 PWs) bands (ev): -13.2315 -13.2315 -10.3828 -10.3828 -6.2597 -6.2597 -6.0350 -6.0350 -4.0610 -4.0610 -3.7696 -3.7696 -2.5814 -2.5814 -1.1887 -1.1887 -0.5985 -0.5985 0.0307 0.0307 0.3943 0.3943 1.1377 1.1377 2.5446 2.5446 4.6250 4.6250 7.1429 7.1429 7.5558 7.5558 7.6777 7.6777 8.1262 8.1262 8.5626 8.5626 9.0842 9.0842 k = 0.0000 0.0000 0.2553 ( 2062 PWs) bands (ev): -13.2326 -13.2326 -10.3790 -10.3790 -6.2601 -6.2601 -6.0356 -6.0356 -4.0714 -4.0714 -3.7682 -3.7682 -2.5795 -2.5795 -1.1895 -1.1895 -0.5997 -0.5997 0.0317 0.0317 0.3917 0.3917 1.1350 1.1350 2.5783 2.5783 4.6267 4.6267 7.1109 7.1109 7.5561 7.5561 7.6562 7.6562 8.1276 8.1276 8.5374 8.5374 9.1327 9.1327 k = 0.0000 0.0000 0.2442 ( 2062 PWs) bands (ev): -13.2340 -13.2340 -10.3744 -10.3744 -6.2605 -6.2605 -6.0364 -6.0364 -4.0838 -4.0838 -3.7665 -3.7665 -2.5773 -2.5773 -1.1904 -1.1904 -0.6011 -0.6011 0.0329 0.0329 0.3887 0.3887 1.1318 1.1318 2.6189 2.6189 4.6286 4.6286 7.0722 7.0722 7.5563 7.5563 7.6305 7.6305 8.1293 8.1293 8.5135 8.5135 9.1844 9.1844 k = 0.0000 0.0000 0.2331 ( 2058 PWs) bands (ev): -13.2356 -13.2356 -10.3692 -10.3692 -6.2610 -6.2610 -6.0373 -6.0373 -4.0980 -4.0980 -3.7645 -3.7645 -2.5747 -2.5747 -1.1914 -1.1914 -0.6028 -0.6028 0.0343 0.0343 0.3855 0.3855 1.1280 1.1280 2.6661 2.6661 4.6309 4.6309 7.0271 7.0271 7.5569 7.5569 7.6013 7.6013 8.1313 8.1313 8.4917 8.4917 9.2378 9.2378 k = 0.0000 0.0000 0.2220 ( 2056 PWs) bands (ev): -13.2374 -13.2374 -10.3633 -10.3633 -6.2615 -6.2615 -6.0384 -6.0384 -4.1138 -4.1138 -3.7623 -3.7623 -2.5718 -2.5718 -1.1926 -1.1926 -0.6046 -0.6046 0.0358 0.0358 0.3820 0.3820 1.1238 1.1238 2.7195 2.7195 4.6335 4.6335 6.9758 6.9758 7.5572 7.5572 7.5689 7.5689 8.1336 8.1336 8.4725 8.4725 9.2921 9.2921 k = 0.0000 0.0000 0.2109 ( 2060 PWs) bands (ev): -13.2393 -13.2393 -10.3568 -10.3568 -6.2621 -6.2621 -6.0395 -6.0395 -4.1311 -4.1311 -3.7600 -3.7600 -2.5687 -2.5687 -1.1939 -1.1939 -0.6066 -0.6066 0.0374 0.0374 0.3784 0.3784 1.1193 1.1193 2.7787 2.7787 4.6364 4.6364 6.9186 6.9186 7.5338 7.5338 7.5576 7.5576 8.1360 8.1360 8.4558 8.4558 9.3467 9.3467 k = 0.0000 0.0000 0.1998 ( 2054 PWs) bands (ev): -13.2413 -13.2413 -10.3498 -10.3498 -6.2627 -6.2627 -6.0407 -6.0407 -4.1494 -4.1494 -3.7574 -3.7574 -2.5653 -2.5653 -1.1953 -1.1953 -0.6087 -0.6087 0.0392 0.0392 0.3748 0.3748 1.1144 1.1144 2.8434 2.8434 4.6394 4.6394 6.8561 6.8561 7.4969 7.4969 7.5580 7.5580 8.1386 8.1386 8.4415 8.4415 9.4009 9.4009 k = 0.0000 0.0000 0.1887 ( 2046 PWs) bands (ev): -13.2435 -13.2435 -10.3425 -10.3425 -6.2634 -6.2634 -6.0419 -6.0419 -4.1688 -4.1688 -3.7547 -3.7547 -2.5617 -2.5617 -1.1967 -1.1967 -0.6109 -0.6109 0.0410 0.0410 0.3711 0.3711 1.1094 1.1094 2.9132 2.9132 4.6428 4.6428 6.7885 6.7885 7.4588 7.4588 7.5585 7.5585 8.1414 8.1414 8.4296 8.4296 9.4542 9.4542 k = 0.0000 0.0000 0.1776 ( 2046 PWs) bands (ev): -13.2458 -13.2458 -10.3349 -10.3349 -6.2641 -6.2641 -6.0432 -6.0432 -4.1888 -4.1888 -3.7519 -3.7519 -2.5580 -2.5580 -1.1982 -1.1982 -0.6131 -0.6131 0.0430 0.0430 0.3676 0.3676 1.1039 1.1039 2.9873 2.9873 4.6463 4.6463 6.7162 6.7162 7.4198 7.4198 7.5590 7.5590 8.1443 8.1443 8.4197 8.4197 9.5063 9.5063 k = 0.0000 0.0000 0.1665 ( 2046 PWs) bands (ev): -13.2481 -13.2481 -10.3270 -10.3270 -6.2648 -6.2648 -6.0445 -6.0445 -4.2094 -4.2094 -3.7491 -3.7491 -2.5541 -2.5541 -1.1998 -1.1998 -0.6154 -0.6154 0.0450 0.0450 0.3642 0.3642 1.0985 1.0985 3.0654 3.0654 4.6498 4.6498 6.6398 6.6398 7.3806 7.3806 7.5594 7.5594 8.1472 8.1472 8.4116 8.4116 9.5568 9.5568 k = 0.0000 0.0000 0.1554 ( 2040 PWs) bands (ev): -13.2505 -13.2505 -10.3191 -10.3191 -6.2655 -6.2655 -6.0459 -6.0459 -4.2300 -4.2300 -3.7461 -3.7461 -2.5502 -2.5502 -1.2013 -1.2013 -0.6177 -0.6177 0.0470 0.0470 0.3611 0.3611 1.0929 1.0929 3.1470 3.1470 4.6536 4.6536 6.5597 6.5597 7.3417 7.3417 7.5600 7.5600 8.1503 8.1503 8.4051 8.4051 9.6053 9.6053 k = 0.0000 0.0000 0.1443 ( 2040 PWs) bands (ev): -13.2528 -13.2528 -10.3111 -10.3111 -6.2662 -6.2662 -6.0472 -6.0472 -4.2505 -4.2505 -3.7432 -3.7432 -2.5463 -2.5463 -1.2028 -1.2028 -0.6200 -0.6200 0.0490 0.0490 0.3581 0.3581 1.0873 1.0873 3.2316 3.2316 4.6574 4.6574 6.4765 6.4765 7.3037 7.3037 7.5605 7.5605 8.1533 8.1533 8.3999 8.3999 9.6516 9.6516 k = 0.0000 0.0000 0.1332 ( 2034 PWs) bands (ev): -13.2551 -13.2551 -10.3032 -10.3032 -6.2669 -6.2669 -6.0486 -6.0486 -4.2707 -4.2707 -3.7403 -3.7403 -2.5425 -2.5425 -1.2044 -1.2044 -0.6222 -0.6222 0.0510 0.0510 0.3553 0.3553 1.0818 1.0818 3.3187 3.3187 4.6613 4.6613 6.3907 6.3907 7.2669 7.2669 7.5611 7.5611 8.1562 8.1562 8.3959 8.3959 9.6954 9.6954 k = 0.0000 0.0000 0.1221 ( 2036 PWs) bands (ev): -13.2573 -13.2573 -10.2955 -10.2955 -6.2676 -6.2676 -6.0499 -6.0499 -4.2903 -4.2903 -3.7376 -3.7376 -2.5387 -2.5387 -1.2059 -1.2059 -0.6244 -0.6244 0.0529 0.0529 0.3527 0.3527 1.0763 1.0763 3.4074 3.4074 4.6650 4.6650 6.3031 6.3031 7.2317 7.2317 7.5616 7.5616 8.1591 8.1591 8.3927 8.3927 9.7366 9.7366 k = 0.0000 0.0000 0.1110 ( 2036 PWs) bands (ev): -13.2594 -13.2594 -10.2881 -10.2881 -6.2683 -6.2683 -6.0512 -6.0512 -4.3091 -4.3091 -3.7349 -3.7349 -2.5351 -2.5351 -1.2073 -1.2073 -0.6264 -0.6264 0.0547 0.0547 0.3504 0.3504 1.0711 1.0711 3.4971 3.4971 4.6688 4.6688 6.2142 6.2142 7.1984 7.1984 7.5621 7.5621 8.1618 8.1618 8.3903 8.3903 9.7747 9.7747 k = 0.0000 0.0000 0.0999 ( 2036 PWs) bands (ev): -13.2614 -13.2614 -10.2810 -10.2810 -6.2689 -6.2689 -6.0523 -6.0523 -4.3267 -4.3267 -3.7324 -3.7324 -2.5317 -2.5317 -1.2086 -1.2086 -0.6283 -0.6283 0.0564 0.0564 0.3483 0.3483 1.0661 1.0661 3.5870 3.5870 4.6723 4.6723 6.1251 6.1251 7.1674 7.1674 7.5625 7.5625 8.1644 8.1644 8.3885 8.3885 9.8098 9.8098 k = 0.0000 0.0000 0.0888 ( 2039 PWs) bands (ev): -13.2633 -13.2633 -10.2745 -10.2745 -6.2695 -6.2695 -6.0534 -6.0534 -4.3431 -4.3431 -3.7300 -3.7300 -2.5284 -2.5284 -1.2099 -1.2099 -0.6301 -0.6301 0.0580 0.0580 0.3465 0.3465 1.0614 1.0614 3.6761 3.6761 4.6757 4.6757 6.0367 6.0367 7.1389 7.1389 7.5630 7.5630 8.1669 8.1669 8.3872 8.3872 9.8417 9.8417 k = 0.0000 0.0000 0.0777 ( 2035 PWs) bands (ev): -13.2650 -13.2650 -10.2684 -10.2684 -6.2700 -6.2700 -6.0544 -6.0544 -4.3581 -4.3581 -3.7278 -3.7278 -2.5254 -2.5254 -1.2110 -1.2110 -0.6317 -0.6317 0.0594 0.0594 0.3449 0.3449 1.0572 1.0572 3.7630 3.7630 4.6788 4.6788 5.9503 5.9503 7.1133 7.1133 7.5634 7.5634 8.1691 8.1691 8.3863 8.3863 9.8702 9.8702 k = 0.0000 0.0000 0.0666 ( 2035 PWs) bands (ev): -13.2665 -13.2665 -10.2631 -10.2631 -6.2704 -6.2704 -6.0553 -6.0553 -4.3714 -4.3714 -3.7259 -3.7259 -2.5228 -2.5228 -1.2120 -1.2120 -0.6331 -0.6331 0.0607 0.0607 0.3436 0.3436 1.0534 1.0534 3.8463 3.8463 4.6817 4.6817 5.8673 5.8673 7.0906 7.0906 7.5637 7.5637 8.1711 8.1711 8.3857 8.3857 9.8951 9.8951 k = 0.0000 0.0000 0.0555 ( 2031 PWs) bands (ev): -13.2678 -13.2678 -10.2584 -10.2584 -6.2708 -6.2708 -6.0561 -6.0561 -4.3830 -4.3830 -3.7242 -3.7242 -2.5205 -2.5205 -1.2129 -1.2129 -0.6343 -0.6343 0.0618 0.0618 0.3424 0.3424 1.0502 1.0502 3.9242 3.9242 4.6842 4.6842 5.7898 5.7898 7.0712 7.0712 7.5641 7.5641 8.1728 8.1728 8.3854 8.3854 9.9164 9.9164 k = 0.0000 0.0000 0.0444 ( 2031 PWs) bands (ev): -13.2689 -13.2689 -10.2545 -10.2545 -6.2712 -6.2712 -6.0567 -6.0567 -4.3926 -4.3926 -3.7228 -3.7228 -2.5186 -2.5186 -1.2136 -1.2136 -0.6353 -0.6353 0.0628 0.0628 0.3415 0.3415 1.0474 1.0474 3.9942 3.9942 4.6863 4.6863 5.7199 5.7199 7.0550 7.0550 7.5643 7.5643 8.1743 8.1743 8.3851 8.3851 9.9340 9.9340 k = 0.0000 0.0000 0.0333 ( 2031 PWs) bands (ev): -13.2698 -13.2698 -10.2514 -10.2514 -6.2715 -6.2715 -6.0572 -6.0572 -4.4002 -4.4002 -3.7217 -3.7217 -2.5170 -2.5170 -1.2142 -1.2142 -0.6361 -0.6361 0.0635 0.0635 0.3408 0.3408 1.0453 1.0453 4.0537 4.0537 4.6880 4.6880 5.6606 5.6606 7.0423 7.0423 7.5646 7.5646 8.1754 8.1754 8.3850 8.3850 9.9477 9.9477 k = 0.0000 0.0000 0.0222 ( 2025 PWs) bands (ev): -13.2704 -13.2704 -10.2491 -10.2491 -6.2716 -6.2716 -6.0576 -6.0576 -4.4057 -4.4057 -3.7208 -3.7208 -2.5159 -2.5159 -1.2145 -1.2145 -0.6367 -0.6367 0.0642 0.0642 0.3403 0.3403 1.0437 1.0437 4.0995 4.0995 4.6892 4.6892 5.6150 5.6150 7.0331 7.0331 7.5647 7.5647 8.1763 8.1763 8.3850 8.3850 9.9575 9.9575 k = 0.0000 0.0000 0.0111 ( 2025 PWs) bands (ev): -13.2708 -13.2708 -10.2477 -10.2477 -6.2717 -6.2717 -6.0578 -6.0578 -4.4090 -4.4090 -3.7204 -3.7204 -2.5153 -2.5153 -1.2148 -1.2148 -0.6370 -0.6370 0.0645 0.0645 0.3401 0.3401 1.0428 1.0428 4.1285 4.1285 4.6899 4.6899 5.5860 5.5860 7.0276 7.0276 7.5649 7.5649 8.1767 8.1767 8.3850 8.3850 9.9635 9.9635 k = 0.0000 0.0000 0.0000 ( 2019 PWs) bands (ev): -13.2709 -13.2709 -10.2473 -10.2473 -6.2718 -6.2718 -6.0579 -6.0579 -4.4101 -4.4101 -3.7202 -3.7202 -2.5151 -2.5151 -1.2148 -1.2148 -0.6371 -0.6371 0.0646 0.0646 0.3401 0.3401 1.0425 1.0425 4.1385 4.1385 4.6902 4.6902 5.5762 5.5762 7.0258 7.0258 7.5649 7.5649 8.1768 8.1768 8.3850 8.3850 9.9655 9.9655 k = 0.0000 0.0000 0.0000 ( 2019 PWs) bands (ev): -13.2709 -13.2709 -10.2473 -10.2473 -6.2718 -6.2718 -6.0579 -6.0579 -4.4101 -4.4101 -3.7202 -3.7202 -2.5151 -2.5151 -1.2148 -1.2148 -0.6371 -0.6371 0.0646 0.0646 0.3401 0.3401 1.0425 1.0425 4.1385 4.1385 4.6902 4.6902 5.5762 5.5762 7.0258 7.0258 7.5649 7.5649 8.1768 8.1768 8.3850 8.3850 9.9655 9.9655 k =-0.0083 0.0072 0.0000 ( 2027 PWs) bands (ev): -13.2700 -13.2700 -10.2466 -10.2466 -6.2737 -6.2737 -6.0591 -6.0591 -4.4135 -4.4135 -3.7185 -3.7185 -2.5181 -2.5181 -1.2120 -1.2120 -0.6371 -0.6371 0.0681 0.0681 0.3404 0.3404 1.0420 1.0420 4.1388 4.1388 4.6866 4.6866 5.5778 5.5778 7.0263 7.0263 7.5661 7.5661 8.1782 8.1782 8.3811 8.3811 9.9649 9.9649 k =-0.0167 0.0144 0.0000 ( 2033 PWs) bands (ev): -13.2672 -13.2672 -10.2445 -10.2445 -6.2795 -6.2795 -6.0629 -6.0629 -4.4236 -4.4236 -3.7133 -3.7133 -2.5273 -2.5273 -1.2035 -1.2035 -0.6370 -0.6370 0.0789 0.0789 0.3416 0.3416 1.0408 1.0408 4.1398 4.1398 4.6759 4.6759 5.5824 5.5824 7.0280 7.0280 7.5699 7.5699 8.1826 8.1826 8.3697 8.3697 9.9633 9.9633 k =-0.0250 0.0216 0.0000 ( 2027 PWs) bands (ev): -13.2625 -13.2625 -10.2411 -10.2411 -6.2890 -6.2890 -6.0692 -6.0692 -4.4402 -4.4402 -3.7050 -3.7050 -2.5422 -2.5422 -1.1894 -1.1894 -0.6368 -0.6368 0.0967 0.0967 0.3436 0.3436 1.0388 1.0388 4.1414 4.1414 4.6584 4.6584 5.5900 5.5900 7.0308 7.0308 7.5763 7.5763 8.1901 8.1901 8.3512 8.3512 9.9607 9.9607 k =-0.0333 0.0288 0.0000 ( 2029 PWs) bands (ev): -13.2559 -13.2559 -10.2362 -10.2362 -6.3022 -6.3022 -6.0779 -6.0779 -4.4629 -4.4629 -3.6936 -3.6936 -2.5627 -2.5627 -1.1698 -1.1698 -0.6366 -0.6366 0.1212 0.1212 0.3461 0.3461 1.0362 1.0362 4.1438 4.1438 4.6344 4.6344 5.6005 5.6005 7.0348 7.0348 7.5852 7.5852 8.2003 8.2003 8.3256 8.3256 9.9571 9.9571 k =-0.0417 0.0359 0.0000 ( 2033 PWs) bands (ev): -13.2474 -13.2474 -10.2300 -10.2300 -6.3190 -6.3190 -6.0890 -6.0890 -4.4914 -4.4914 -3.6797 -3.6797 -2.5886 -2.5886 -1.1449 -1.1449 -0.6366 -0.6366 0.1520 0.1520 0.3492 0.3492 1.0328 1.0328 4.1469 4.1469 4.6045 4.6045 5.6135 5.6135 7.0398 7.0398 7.5966 7.5966 8.2134 8.2134 8.2936 8.2936 9.9525 9.9525 k =-0.0500 0.0431 0.0000 ( 2037 PWs) bands (ev): -13.2371 -13.2371 -10.2225 -10.2225 -6.3392 -6.3392 -6.1025 -6.1025 -4.5252 -4.5252 -3.6634 -3.6634 -2.6192 -2.6192 -1.1149 -1.1149 -0.6368 -0.6368 0.1888 0.1888 0.3526 0.3526 1.0288 1.0288 4.1506 4.1506 4.5690 4.5690 5.6289 5.6289 7.0460 7.0460 7.6105 7.6105 8.2294 8.2294 8.2559 8.2559 9.9470 9.9470 k =-0.0583 0.0503 0.0000 ( 2037 PWs) bands (ev): -13.2250 -13.2250 -10.2136 -10.2136 -6.3627 -6.3627 -6.1182 -6.1182 -4.5639 -4.5639 -3.6451 -3.6451 -2.6542 -2.6542 -1.0801 -1.0801 -0.6374 -0.6374 0.2310 0.2310 0.3560 0.3560 1.0244 1.0244 4.1550 4.1550 4.5287 4.5287 5.6465 5.6465 7.0534 7.0534 7.6268 7.6268 8.2131 8.2131 8.2483 8.2483 9.9406 9.9406 k =-0.0667 0.0575 0.0000 ( 2037 PWs) bands (ev): -13.2109 -13.2109 -10.2033 -10.2033 -6.3892 -6.3892 -6.1361 -6.1361 -4.6072 -4.6072 -3.6250 -3.6250 -2.6931 -2.6931 -1.0407 -1.0407 -0.6385 -0.6385 0.2781 0.2781 0.3593 0.3593 1.0196 1.0196 4.1601 4.1601 4.4841 4.4841 5.6661 5.6661 7.0620 7.0620 7.6456 7.6456 8.1661 8.1661 8.2700 8.2700 9.9335 9.9335 k =-0.0750 0.0647 0.0000 ( 2037 PWs) bands (ev): -13.1951 -13.1951 -10.1918 -10.1918 -6.4186 -6.4186 -6.1561 -6.1561 -4.6547 -4.6547 -3.6032 -3.6032 -2.7355 -2.7355 -0.9971 -0.9971 -0.6403 -0.6403 0.3298 0.3298 0.3622 0.3622 1.0146 1.0146 4.1659 4.1659 4.4357 4.4357 5.6876 5.6876 7.0717 7.0717 7.6668 7.6668 8.1155 8.1155 8.2947 8.2947 9.9256 9.9256 k =-0.0833 0.0719 0.0000 ( 2045 PWs) bands (ev): -13.1773 -13.1773 -10.1789 -10.1789 -6.4506 -6.4506 -6.1780 -6.1780 -4.7061 -4.7061 -3.5801 -3.5801 -2.7809 -2.7809 -0.9497 -0.9497 -0.6430 -0.6430 0.3643 0.3643 0.3853 0.3853 1.0095 1.0095 4.1723 4.1723 4.3840 4.3840 5.7111 5.7111 7.0827 7.0827 7.6901 7.6901 8.0623 8.0623 8.3221 8.3221 9.9170 9.9170 k =-0.0917 0.0791 0.0000 ( 2035 PWs) bands (ev): -13.1578 -13.1578 -10.1647 -10.1647 -6.4850 -6.4850 -6.2018 -6.2018 -4.7612 -4.7612 -3.5555 -3.5555 -2.8288 -2.8288 -0.8987 -0.8987 -0.6468 -0.6468 0.3656 0.3656 0.4445 0.4445 1.0046 1.0046 4.1794 4.1794 4.3296 4.3296 5.7364 5.7364 7.0949 7.0949 7.7162 7.7162 8.0074 8.0074 8.3526 8.3526 9.9080 9.9080 k =-0.1000 0.0863 0.0000 ( 2043 PWs) bands (ev): -13.1364 -13.1364 -10.1492 -10.1492 -6.5217 -6.5217 -6.2273 -6.2273 -4.8196 -4.8196 -3.5297 -3.5297 -2.8789 -2.8789 -0.8449 -0.8449 -0.6519 -0.6519 0.3655 0.3655 0.5067 0.5067 0.9999 0.9999 4.1870 4.1870 4.2728 4.2728 5.7636 5.7636 7.1084 7.1084 7.7441 7.7441 7.9513 7.9513 8.3856 8.3856 9.8984 9.8984 k =-0.1083 0.0934 0.0000 ( 2046 PWs) bands (ev): -13.1132 -13.1132 -10.1325 -10.1325 -6.5603 -6.5603 -6.2544 -6.2544 -4.8813 -4.8813 -3.5026 -3.5026 -2.9307 -2.9307 -0.7886 -0.7886 -0.6585 -0.6585 0.3638 0.3638 0.5716 0.5716 0.9960 0.9960 4.1950 4.1950 4.2142 4.2142 5.7929 5.7929 7.1231 7.1231 7.7743 7.7743 7.8948 7.8948 8.4215 8.4215 9.8885 9.8885 k =-0.1167 0.1006 0.0000 ( 2046 PWs) bands (ev): -13.0882 -13.0882 -10.1146 -10.1146 -6.6005 -6.6005 -6.2829 -6.2829 -4.9460 -4.9460 -3.4744 -3.4744 -2.9840 -2.9840 -0.7303 -0.7303 -0.6666 -0.6666 0.3602 0.3602 0.6388 0.6388 0.9930 0.9930 4.1541 4.1541 4.2036 4.2036 5.8242 5.8242 7.1391 7.1391 7.8067 7.8067 7.8389 7.8389 8.4601 8.4601 9.8783 9.8783 k =-0.1250 0.1078 0.0000 ( 2046 PWs) bands (ev): -13.0614 -13.0614 -10.0954 -10.0954 -6.6424 -6.6424 -6.3129 -6.3129 -5.0134 -5.0134 -3.4450 -3.4450 -3.0384 -3.0384 -0.6767 -0.6767 -0.6705 -0.6705 0.3547 0.3547 0.7079 0.7079 0.9913 0.9913 4.0929 4.0929 4.2125 4.2125 5.8576 5.8576 7.1564 7.1564 7.7840 7.7840 7.8413 7.8413 8.5014 8.5014 9.8679 9.8679 k =-0.1333 0.1150 0.0000 ( 2046 PWs) bands (ev): -13.0329 -13.0329 -10.0751 -10.0751 -6.6855 -6.6855 -6.3440 -6.3440 -5.0834 -5.0834 -3.4144 -3.4144 -3.0936 -3.0936 -0.6887 -0.6887 -0.6100 -0.6100 0.3468 0.3468 0.7786 0.7786 0.9912 0.9912 4.0310 4.0310 4.2215 4.2215 5.8933 5.8933 7.1750 7.1750 7.7312 7.7312 7.8778 7.8778 8.5453 8.5453 9.8574 9.8574 k =-0.1417 0.1222 0.0000 ( 2040 PWs) bands (ev): -13.0025 -13.0025 -10.0536 -10.0536 -6.7297 -6.7297 -6.3762 -6.3762 -5.1559 -5.1559 -3.3827 -3.3827 -3.1494 -3.1494 -0.7029 -0.7029 -0.5493 -0.5493 0.3364 0.3364 0.8509 0.8509 0.9933 0.9933 3.9687 3.9687 4.2306 4.2306 5.9314 5.9314 7.1949 7.1949 7.6809 7.6809 7.9163 7.9163 8.5920 8.5920 9.8467 9.8467 k =-0.1500 0.1294 0.0000 ( 2038 PWs) bands (ev): -12.9705 -12.9705 -10.0310 -10.0310 -6.7748 -6.7748 -6.4094 -6.4094 -5.2307 -5.2307 -3.3498 -3.3498 -3.2056 -3.2056 -0.7194 -0.7194 -0.4892 -0.4892 0.3234 0.3234 0.9241 0.9241 0.9981 0.9981 3.9061 3.9061 4.2395 4.2395 5.9719 5.9719 7.2162 7.2162 7.6337 7.6337 7.9567 7.9567 8.6412 8.6412 9.8362 9.8362 k =-0.1583 0.1366 0.0000 ( 2038 PWs) bands (ev): -12.9367 -12.9367 -10.0074 -10.0074 -6.8206 -6.8206 -6.4433 -6.4433 -5.3076 -5.3076 -3.3159 -3.3159 -3.2619 -3.2619 -0.7382 -0.7382 -0.4304 -0.4304 0.3076 0.3076 0.9978 0.9978 1.0062 1.0062 3.8433 3.8433 4.2481 4.2481 6.0149 6.0149 7.2388 7.2388 7.5903 7.5903 7.9989 7.9989 8.6930 8.6930 9.8257 9.8257 k =-0.1667 0.1438 0.0000 ( 2038 PWs) bands (ev): -12.9013 -12.9013 -9.9826 -9.9826 -6.8670 -6.8670 -6.4780 -6.4780 -5.3865 -5.3865 -3.3182 -3.3182 -3.2809 -3.2809 -0.7596 -0.7596 -0.3737 -0.3737 0.2889 0.2889 1.0178 1.0178 1.0725 1.0725 3.7807 3.7807 4.2562 4.2562 6.0605 6.0605 7.2628 7.2628 7.5512 7.5512 8.0429 8.0429 8.7471 8.7471 9.8153 9.8153 k =-0.1750 0.1509 0.0000 ( 2038 PWs) bands (ev): -12.8641 -12.8641 -9.9569 -9.9569 -6.9137 -6.9137 -6.5133 -6.5133 -5.4673 -5.4673 -3.3743 -3.3743 -3.2447 -3.2447 -0.7835 -0.7835 -0.3199 -0.3199 0.2674 0.2674 1.0340 1.0340 1.1473 1.1473 3.7183 3.7183 4.2635 4.2635 6.1088 6.1088 7.2881 7.2881 7.5168 7.5168 8.0886 8.0886 8.8037 8.8037 9.8051 9.8051 k =-0.1833 0.1581 0.0000 ( 2038 PWs) bands (ev): -12.8254 -12.8254 -9.9302 -9.9302 -6.9606 -6.9606 -6.5490 -6.5490 -5.5497 -5.5497 -3.4301 -3.4301 -3.2075 -3.2075 -0.8100 -0.8100 -0.2698 -0.2698 0.2429 0.2429 1.0552 1.0552 1.2223 1.2223 3.6562 3.6562 4.2699 4.2699 6.1598 6.1598 7.3147 7.3147 7.4876 7.4876 8.1360 8.1360 8.8627 8.8627 9.7952 9.7952 k =-0.1917 0.1653 0.0000 ( 2038 PWs) bands (ev): -12.7850 -12.7850 -9.9026 -9.9026 -7.0075 -7.0075 -6.5850 -6.5850 -5.6338 -5.6338 -3.4854 -3.4854 -3.1692 -3.1692 -0.8391 -0.8391 -0.2240 -0.2240 0.2157 0.2157 1.0819 1.0819 1.2972 1.2972 3.5945 3.5945 4.2751 4.2751 6.2135 6.2135 7.3427 7.3427 7.4640 7.4640 8.1849 8.1849 8.9239 8.9239 9.7856 9.7856 k =-0.2000 0.1725 0.0000 ( 2038 PWs) bands (ev): -12.7430 -12.7430 -9.8741 -9.8741 -7.0544 -7.0544 -6.6212 -6.6212 -5.7193 -5.7193 -3.5401 -3.5401 -3.1299 -3.1299 -0.8707 -0.8707 -0.1832 -0.1832 0.1858 0.1858 1.1145 1.1145 1.3720 1.3720 3.5332 3.5332 4.2789 4.2789 6.2699 6.2699 7.3717 7.3717 7.4464 7.4464 8.2353 8.2353 8.9872 8.9872 9.7762 9.7762 k =-0.2083 0.1797 0.0000 ( 2038 PWs) bands (ev): -12.6994 -12.6994 -9.8448 -9.8448 -7.1011 -7.1011 -6.6576 -6.6576 -5.8062 -5.8062 -3.5941 -3.5941 -3.0895 -3.0895 -0.9049 -0.9049 -0.1477 -0.1477 0.1532 0.1532 1.1533 1.1533 1.4463 1.4463 3.4723 3.4723 4.2811 4.2811 6.3291 6.3291 7.4008 7.4008 7.4363 7.4363 8.2870 8.2870 9.0527 9.0527 9.7672 9.7672 k =-0.2167 0.1869 0.0000 ( 2030 PWs) bands (ev): -12.6544 -12.6544 -9.8147 -9.8147 -7.1474 -7.1474 -6.6939 -6.6939 -5.8942 -5.8942 -3.6473 -3.6473 -3.0482 -3.0482 -0.9413 -0.9413 -0.1176 -0.1176 0.1183 0.1183 1.1983 1.1983 1.5202 1.5202 3.4118 3.4118 4.2817 4.2817 6.3909 6.3909 7.4197 7.4197 7.4440 7.4440 8.3402 8.3402 9.1202 9.1202 9.7584 9.7584 k =-0.2250 0.1941 0.0000 ( 2034 PWs) bands (ev): -12.6078 -12.6078 -9.7840 -9.7840 -7.1933 -7.1933 -6.7302 -6.7302 -5.9834 -5.9834 -3.6997 -3.6997 -3.0060 -3.0060 -0.9803 -0.9803 -0.0932 -0.0932 0.0811 0.0811 1.2492 1.2492 1.5933 1.5933 3.3516 3.3516 4.2804 4.2804 6.4553 6.4553 7.4239 7.4239 7.4739 7.4739 8.3945 8.3945 9.1895 9.1895 9.7500 9.7500 k =-0.2333 0.2013 0.0000 ( 2038 PWs) bands (ev): -12.5598 -12.5598 -9.7525 -9.7525 -7.2387 -7.2387 -6.7663 -6.7663 -6.0735 -6.0735 -3.7510 -3.7510 -2.9629 -2.9629 -1.0216 -1.0216 -0.0739 -0.0739 0.0420 0.0420 1.3057 1.3057 1.6656 1.6656 3.2918 3.2918 4.2771 4.2771 6.5223 6.5223 7.4305 7.4305 7.5089 7.5089 8.4499 8.4499 9.2607 9.2607 9.7418 9.7418 k =-0.2417 0.2085 0.0000 ( 2042 PWs) bands (ev): -12.5104 -12.5104 -9.7206 -9.7206 -7.2834 -7.2834 -6.8021 -6.8021 -6.1645 -6.1645 -3.8014 -3.8014 -2.9190 -2.9190 -1.0648 -1.0648 -0.0596 -0.0596 0.0011 0.0011 1.3672 1.3672 1.7369 1.7369 3.2323 3.2323 4.2720 4.2720 6.5916 6.5916 7.4424 7.4424 7.5462 7.5462 8.5064 8.5064 9.3333 9.3333 9.7338 9.7338 k =-0.2500 0.2156 0.0000 ( 2042 PWs) bands (ev): -12.4597 -12.4597 -9.6880 -9.6880 -7.3274 -7.3274 -6.8376 -6.8376 -6.2562 -6.2562 -3.8506 -3.8506 -2.8742 -2.8742 -1.1099 -1.1099 -0.0498 -0.0498 -0.0413 -0.0413 1.4331 1.4331 1.8072 1.8072 3.1731 3.1731 4.2649 4.2649 6.6633 6.6633 7.4595 7.4595 7.5855 7.5855 8.5638 8.5638 9.4075 9.4075 9.7261 9.7261 k =-0.2583 0.2228 0.0000 ( 2038 PWs) bands (ev): -12.4076 -12.4076 -9.6551 -9.6551 -7.3705 -7.3705 -6.8725 -6.8725 -6.3484 -6.3484 -3.8986 -3.8986 -2.8287 -2.8287 -1.1568 -1.1568 -0.0851 -0.0851 -0.0437 -0.0437 1.5028 1.5028 1.8764 1.8764 3.1141 3.1141 4.2561 4.2561 6.7370 6.7370 7.4814 7.4814 7.6270 7.6270 8.6221 8.6221 9.4830 9.4830 9.7187 9.7187 k =-0.2667 0.2300 0.0000 ( 2032 PWs) bands (ev): -12.3544 -12.3544 -9.6218 -9.6218 -7.4127 -7.4127 -6.9069 -6.9069 -6.4412 -6.4412 -3.9454 -3.9454 -2.7826 -2.7826 -1.2052 -1.2052 -0.1299 -0.1299 -0.0411 -0.0411 1.5757 1.5757 1.9442 1.9442 3.0554 3.0554 4.2455 4.2455 6.8128 6.8128 7.5077 7.5077 7.6708 7.6708 8.6811 8.6811 9.5596 9.5596 9.7113 9.7113 k =-0.2750 0.2372 0.0000 ( 2036 PWs) bands (ev): -12.2999 -12.2999 -9.5882 -9.5882 -7.4540 -7.4540 -6.9408 -6.9408 -6.5343 -6.5343 -3.9909 -3.9909 -2.7359 -2.7359 -1.2550 -1.2550 -0.1754 -0.1754 -0.0414 -0.0414 1.6509 1.6509 2.0106 2.0106 2.9969 2.9969 4.2333 4.2333 6.8902 6.8902 7.5376 7.5376 7.7170 7.7170 8.7407 8.7407 9.6373 9.6373 9.7038 9.7038 k =-0.2833 0.2444 0.0000 ( 2032 PWs) bands (ev): -12.2444 -12.2444 -9.5544 -9.5544 -7.4942 -7.4942 -6.9740 -6.9740 -6.6276 -6.6276 -4.0351 -4.0351 -2.6886 -2.6886 -1.3058 -1.3058 -0.2214 -0.2214 -0.0441 -0.0441 1.7278 1.7278 2.0755 2.0755 2.9386 2.9386 4.2197 4.2197 6.9694 6.9694 7.5706 7.5706 7.7658 7.7658 8.8009 8.8009 9.6964 9.6964 9.7158 9.7158 k =-0.2917 0.2516 0.0000 ( 2040 PWs) bands (ev): -12.1879 -12.1879 -9.5205 -9.5205 -7.5334 -7.5334 -7.0065 -7.0065 -6.7211 -6.7211 -4.0779 -4.0779 -2.6410 -2.6410 -1.3577 -1.3577 -0.2677 -0.2677 -0.0490 -0.0490 1.8058 1.8058 2.1387 2.1387 2.8806 2.8806 4.2048 4.2048 7.0499 7.0499 7.6059 7.6059 7.8174 7.8174 8.8613 8.8613 9.6887 9.6887 9.7948 9.7948 k =-0.3000 0.2588 0.0000 ( 2038 PWs) bands (ev): -12.1304 -12.1304 -9.4866 -9.4866 -7.5714 -7.5714 -7.0381 -7.0381 -6.8144 -6.8144 -4.1192 -4.1192 -2.5930 -2.5930 -1.4101 -1.4101 -0.3140 -0.3140 -0.0553 -0.0553 1.8844 1.8844 2.2003 2.2003 2.8228 2.8228 4.1888 4.1888 7.1317 7.1317 7.6430 7.6430 7.8719 7.8719 8.9220 8.9220 9.6810 9.6810 9.8744 9.8744 k =-0.3083 0.2660 0.0000 ( 2036 PWs) bands (ev): -12.0721 -12.0721 -9.4528 -9.4528 -7.6081 -7.6081 -7.0689 -7.0689 -6.9075 -6.9075 -4.1592 -4.1592 -2.5448 -2.5448 -1.4629 -1.4629 -0.3600 -0.3600 -0.0630 -0.0630 1.9632 1.9632 2.2600 2.2600 2.7654 2.7654 4.1719 4.1719 7.2144 7.2144 7.6810 7.6810 7.9293 7.9293 8.9828 8.9828 9.6729 9.6729 9.9540 9.9540 k =-0.3167 0.2731 0.0000 ( 2040 PWs) bands (ev): -12.0131 -12.0131 -9.4192 -9.4192 -7.6437 -7.6437 -7.0988 -7.0988 -7.0003 -7.0003 -4.1977 -4.1977 -2.4965 -2.4965 -1.5159 -1.5159 -0.4057 -0.4057 -0.0717 -0.0717 2.0415 2.0415 2.3179 2.3179 2.7084 2.7084 4.1543 4.1543 7.2978 7.2978 7.7195 7.7195 7.9894 7.9894 9.0434 9.0434 9.6644 9.6644 10.0336 10.0336 k =-0.3250 0.2803 0.0000 ( 2044 PWs) bands (ev): -11.9534 -11.9534 -9.3859 -9.3859 -7.6779 -7.6779 -7.1277 -7.1277 -7.0926 -7.0926 -4.2346 -4.2346 -2.4482 -2.4482 -1.5688 -1.5688 -0.4507 -0.4507 -0.0812 -0.0812 2.1191 2.1191 2.3738 2.3738 2.6520 2.6520 4.1363 4.1363 7.3816 7.3816 7.7581 7.7581 8.0520 8.0520 9.1037 9.1037 9.6554 9.6554 10.1129 10.1129 k =-0.3333 0.2875 0.0000 ( 2040 PWs) bands (ev): -11.8933 -11.8933 -9.3530 -9.3530 -7.7108 -7.7108 -7.1841 -7.1841 -7.1555 -7.1555 -4.2700 -4.2700 -2.4000 -2.4000 -1.6213 -1.6213 -0.4950 -0.4950 -0.0912 -0.0912 2.1955 2.1955 2.4277 2.4277 2.5962 2.5962 4.1180 4.1180 7.4658 7.4658 7.7964 7.7964 8.1171 8.1171 9.1637 9.1637 9.6457 9.6457 10.1917 10.1917 k =-0.3417 0.2947 0.0000 ( 2044 PWs) bands (ev): -11.8329 -11.8329 -9.3206 -9.3206 -7.7422 -7.7422 -7.2747 -7.2747 -7.1824 -7.1824 -4.3038 -4.3038 -2.3522 -2.3522 -1.6734 -1.6734 -0.5382 -0.5382 -0.1016 -0.1016 2.2703 2.2703 2.4794 2.4794 2.5411 2.5411 4.0995 4.0995 7.5499 7.5499 7.8341 7.8341 8.1837 8.1837 9.2229 9.2229 9.6354 9.6354 10.2696 10.2696 k =-0.3500 0.3019 0.0000 ( 2044 PWs) bands (ev): -11.7723 -11.7723 -9.2888 -9.2888 -7.7723 -7.7723 -7.3641 -7.3641 -7.2081 -7.2081 -4.3360 -4.3360 -2.3047 -2.3047 -1.7245 -1.7245 -0.5803 -0.5803 -0.1121 -0.1121 2.3433 2.3433 2.4869 2.4869 2.5291 2.5291 4.0811 4.0811 7.6338 7.6338 7.8711 7.8711 8.2515 8.2515 9.2814 9.2814 9.6242 9.6242 10.3464 10.3464 k =-0.3583 0.3091 0.0000 ( 2044 PWs) bands (ev): -11.7117 -11.7117 -9.2578 -9.2578 -7.8009 -7.8009 -7.4522 -7.4522 -7.2326 -7.2326 -4.3666 -4.3666 -2.2578 -2.2578 -1.7746 -1.7746 -0.6212 -0.6212 -0.1227 -0.1227 2.4140 2.4140 2.4339 2.4339 2.5764 2.5764 4.0630 4.0630 7.7172 7.7172 7.9072 7.9072 8.3201 8.3201 9.3388 9.3388 9.6122 9.6122 10.4217 10.4217 k =-0.3667 0.3163 0.0000 ( 2040 PWs) bands (ev): -11.6514 -11.6514 -9.2276 -9.2276 -7.8280 -7.8280 -7.5387 -7.5387 -7.2559 -7.2559 -4.3955 -4.3955 -2.2117 -2.2117 -1.8234 -1.8234 -0.6605 -0.6605 -0.1332 -0.1332 2.3821 2.3821 2.4824 2.4824 2.6213 2.6213 4.0452 4.0452 7.7998 7.7998 7.9422 7.9422 8.3888 8.3888 9.3949 9.3949 9.5992 9.5992 10.4953 10.4953 k =-0.3750 0.3235 0.0000 ( 2032 PWs) bands (ev): -11.5916 -11.5916 -9.1985 -9.1985 -7.8535 -7.8535 -7.6233 -7.6233 -7.2781 -7.2781 -4.4227 -4.4227 -2.1665 -2.1665 -1.8706 -1.8706 -0.6984 -0.6984 -0.1435 -0.1435 2.3317 2.3317 2.5480 2.5480 2.6639 2.6639 4.0280 4.0280 7.8814 7.8814 7.9760 7.9760 8.4571 8.4571 9.4495 9.4495 9.5851 9.5851 10.5669 10.5669 k =-0.3833 0.3306 0.0000 ( 2032 PWs) bands (ev): -11.5325 -11.5325 -9.1704 -9.1704 -7.8776 -7.8776 -7.7058 -7.7058 -7.2989 -7.2989 -4.4483 -4.4483 -2.1225 -2.1225 -1.9160 -1.9160 -0.7345 -0.7345 -0.1535 -0.1535 2.2830 2.2830 2.6105 2.6105 2.7040 2.7040 4.0113 4.0113 7.9616 7.9616 8.0084 8.0084 8.5242 8.5242 9.5022 9.5022 9.5699 9.5699 10.6360 10.6360 k =-0.3917 0.3378 0.0000 ( 2036 PWs) bands (ev): -11.4745 -11.4745 -9.1437 -9.1437 -7.9001 -7.9001 -7.7857 -7.7857 -7.3185 -7.3185 -4.4722 -4.4722 -2.0799 -2.0799 -1.9594 -1.9594 -0.7690 -0.7690 -0.1631 -0.1631 2.2362 2.2362 2.6698 2.6698 2.7416 2.7416 3.9954 3.9954 8.0383 8.0383 8.0411 8.0411 8.5898 8.5898 9.5511 9.5511 9.5552 9.5552 10.7024 10.7024 k =-0.4000 0.3450 0.0000 ( 2046 PWs) bands (ev): -11.4180 -11.4180 -9.1183 -9.1183 -7.9210 -7.9210 -7.8629 -7.8629 -7.3368 -7.3368 -4.4944 -4.4944 -2.0389 -2.0389 -2.0006 -2.0006 -0.8017 -0.8017 -0.1722 -0.1722 2.1914 2.1914 2.7255 2.7255 2.7766 2.7766 3.9803 3.9803 8.0683 8.0683 8.1170 8.1170 8.6533 8.6533 9.5357 9.5357 9.6014 9.6014 10.7656 10.7656 k =-0.4083 0.3522 0.0000 ( 2050 PWs) bands (ev): -11.3631 -11.3631 -9.0944 -9.0944 -7.9404 -7.9404 -7.9366 -7.9366 -7.3537 -7.3537 -4.5149 -4.5149 -2.0395 -2.0395 -1.9995 -1.9995 -0.8323 -0.8323 -0.1809 -0.1809 2.1490 2.1490 2.7775 2.7775 2.8090 2.8090 3.9661 3.9661 8.0959 8.0959 8.1914 8.1914 8.7140 8.7140 9.5169 9.5169 9.6472 9.6472 10.8254 10.8254 k =-0.4167 0.3594 0.0000 ( 2050 PWs) bands (ev): -11.3104 -11.3104 -9.0721 -9.0721 -8.0067 -8.0067 -7.9580 -7.9580 -7.3693 -7.3693 -4.5336 -4.5336 -2.0755 -2.0755 -1.9622 -1.9622 -0.8608 -0.8608 -0.1890 -0.1890 2.1092 2.1092 2.8257 2.8257 2.8388 2.8388 3.9529 3.9529 8.1215 8.1215 8.2632 8.2632 8.7715 8.7715 9.4970 9.4970 9.6903 9.6903 10.8814 10.8814 k =-0.4250 0.3666 0.0000 ( 2050 PWs) bands (ev): -11.2604 -11.2604 -9.0515 -9.0515 -8.0725 -8.0725 -7.9740 -7.9740 -7.3834 -7.3834 -4.5505 -4.5505 -2.1088 -2.1088 -1.9273 -1.9273 -0.8871 -0.8871 -0.1964 -0.1964 2.0722 2.0722 2.8658 2.8658 2.8699 2.8699 3.9408 3.9408 8.1452 8.1452 8.3320 8.3320 8.8252 8.8252 9.4761 9.4761 9.7302 9.7302 10.9334 10.9334 k =-0.4333 0.3738 0.0000 ( 2056 PWs) bands (ev): -11.2135 -11.2135 -9.0327 -9.0327 -8.1336 -8.1336 -7.9885 -7.9885 -7.3961 -7.3961 -4.5657 -4.5657 -2.1391 -2.1391 -1.8949 -1.8949 -0.9112 -0.9112 -0.2032 -0.2032 2.0383 2.0383 2.8901 2.8901 2.9098 2.9098 3.9297 3.9297 8.1667 8.1667 8.3972 8.3972 8.8746 8.8746 9.4544 9.4544 9.7666 9.7666 10.9809 10.9809 k =-0.4417 0.3810 0.0000 ( 2060 PWs) bands (ev): -11.1702 -11.1702 -9.0159 -9.0159 -8.1895 -8.1895 -8.0012 -8.0012 -7.4074 -7.4074 -4.5792 -4.5792 -2.1662 -2.1662 -1.8654 -1.8654 -0.9329 -0.9329 -0.2093 -0.2093 2.0077 2.0077 2.9116 2.9116 2.9453 2.9453 3.9199 3.9199 8.1860 8.1860 8.4585 8.4585 8.9194 8.9194 9.4322 9.4322 9.7995 9.7995 11.0235 11.0235 k =-0.4500 0.3882 0.0000 ( 2070 PWs) bands (ev): -11.1312 -11.1312 -9.0012 -9.0012 -8.2395 -8.2395 -8.0123 -8.0123 -7.4173 -7.4173 -4.5909 -4.5909 -2.1901 -2.1901 -1.8390 -1.8390 -0.9522 -0.9522 -0.2146 -0.2146 1.9806 1.9806 2.9303 2.9303 2.9764 2.9764 3.9113 3.9113 8.2030 8.2030 8.5149 8.5149 8.9591 8.9591 9.4100 9.4100 9.8285 9.8285 11.0611 11.0611 k =-0.4583 0.3953 0.0000 ( 2052 PWs) bands (ev): -11.0969 -11.0969 -8.9885 -8.9885 -8.2830 -8.2830 -8.0216 -8.0216 -7.4256 -7.4256 -4.6007 -4.6007 -2.2104 -2.2104 -1.8160 -1.8160 -0.9687 -0.9687 -0.2190 -0.2190 1.9574 1.9574 2.9463 2.9463 3.0031 3.0031 3.9040 3.9040 8.2176 8.2176 8.5661 8.5661 8.9935 8.9935 9.3885 9.3885 9.8537 9.8537 11.0936 11.0936 k =-0.4667 0.4025 0.0000 ( 2044 PWs) bands (ev): -11.0679 -11.0679 -8.9780 -8.9780 -8.3196 -8.3196 -8.0293 -8.0293 -7.4324 -7.4324 -4.6088 -4.6088 -2.2272 -2.2272 -1.7967 -1.7967 -0.9824 -0.9824 -0.2227 -0.2227 1.9381 1.9381 2.9595 2.9595 3.0249 3.0249 3.8980 3.8980 8.2297 8.2297 8.6106 8.6106 9.0220 9.0220 9.3682 9.3682 9.8745 9.8745 11.1205 11.1205 k =-0.4750 0.4097 0.0000 ( 2050 PWs) bands (ev): -11.0447 -11.0447 -8.9698 -8.9698 -8.3487 -8.3487 -8.0352 -8.0352 -7.4377 -7.4377 -4.6151 -4.6151 -2.2405 -2.2405 -1.7814 -1.7814 -0.9933 -0.9933 -0.2256 -0.2256 1.9229 1.9229 2.9696 2.9696 3.0419 3.0419 3.8932 3.8932 8.2391 8.2391 8.6474 8.6474 9.0442 9.0442 9.3504 9.3504 9.8908 9.8908 11.1416 11.1416 k =-0.4833 0.4169 0.0000 ( 2050 PWs) bands (ev): -11.0279 -11.0279 -8.9639 -8.9639 -8.3698 -8.3698 -8.0395 -8.0395 -7.4416 -7.4416 -4.6196 -4.6196 -2.2499 -2.2499 -1.7703 -1.7703 -1.0013 -1.0013 -0.2278 -0.2278 1.9119 1.9119 2.9769 2.9769 3.0542 3.0542 3.8898 3.8898 8.2459 8.2459 8.6751 8.6751 9.0604 9.0604 9.3364 9.3364 9.9026 9.9026 11.1567 11.1567 k =-0.4917 0.4241 0.0000 ( 2046 PWs) bands (ev): -11.0176 -11.0176 -8.9603 -8.9603 -8.3827 -8.3827 -8.0421 -8.0421 -7.4438 -7.4438 -4.6223 -4.6223 -2.2556 -2.2556 -1.7636 -1.7636 -1.0060 -1.0060 -0.2290 -0.2290 1.9053 1.9053 2.9813 2.9813 3.0615 3.0615 3.8878 3.8878 8.2499 8.2499 8.6924 8.6924 9.0703 9.0703 9.3273 9.3273 9.9096 9.9096 11.1661 11.1661 k =-0.5000 0.4313 0.0000 ( 2046 PWs) bands (ev): -11.0141 -11.0141 -8.9591 -8.9591 -8.3870 -8.3870 -8.0429 -8.0429 -7.4446 -7.4446 -4.6232 -4.6232 -2.2575 -2.2575 -1.7613 -1.7613 -1.0076 -1.0076 -0.2295 -0.2295 1.9031 1.9031 2.9827 2.9827 3.0640 3.0640 3.8871 3.8871 8.2513 8.2513 8.6983 8.6983 9.0735 9.0735 9.3242 9.3242 9.9120 9.9120 11.1691 11.1691 k =-0.5000 0.4313 0.0000 ( 2046 PWs) bands (ev): -11.0141 -11.0141 -8.9591 -8.9591 -8.3870 -8.3870 -8.0429 -8.0429 -7.4446 -7.4446 -4.6232 -4.6232 -2.2575 -2.2575 -1.7613 -1.7613 -1.0076 -1.0076 -0.2295 -0.2295 1.9031 1.9031 2.9827 2.9827 3.0640 3.0640 3.8871 3.8871 8.2513 8.2513 8.6983 8.6983 9.0735 9.0735 9.3242 9.3242 9.9120 9.9120 11.1691 11.1691 k =-0.4929 0.4395-0.0000 ( 2046 PWs) bands (ev): -11.0131 -11.0131 -8.9746 -8.9746 -8.3880 -8.3880 -8.0269 -8.0269 -7.4437 -7.4437 -4.6235 -4.6235 -2.2565 -2.2565 -1.7606 -1.7606 -1.0041 -1.0041 -0.2313 -0.2313 1.9037 1.9037 2.9791 2.9791 3.0619 3.0619 3.8898 3.8898 8.2524 8.2524 8.6959 8.6959 9.0714 9.0714 9.3236 9.3236 9.9074 9.9074 11.1669 11.1669 k =-0.4858 0.4478-0.0000 ( 2042 PWs) bands (ev): -11.0101 -11.0101 -9.0179 -9.0179 -8.3913 -8.3913 -7.9816 -7.9816 -7.4410 -7.4410 -4.6243 -4.6243 -2.2535 -2.2535 -1.7583 -1.7583 -0.9934 -0.9934 -0.2365 -0.2365 1.9055 1.9055 2.9682 2.9682 3.0555 3.0555 3.8979 3.8979 8.2556 8.2556 8.6886 8.6886 9.0652 9.0652 9.3217 9.3217 9.8938 9.8938 11.1603 11.1603 k =-0.4787 0.4560-0.0000 ( 2042 PWs) bands (ev): -11.0050 -11.0050 -9.0827 -9.0827 -8.3966 -8.3966 -7.9137 -7.9137 -7.4364 -7.4364 -4.6257 -4.6257 -2.2486 -2.2486 -1.7545 -1.7545 -0.9759 -0.9759 -0.2453 -0.2453 1.9085 1.9085 2.9501 2.9501 3.0450 3.0450 3.9113 3.9113 8.2609 8.2609 8.6766 8.6766 9.0549 9.0549 9.3187 9.3187 9.8711 9.8711 11.1494 11.1494 k =-0.4716 0.4643-0.0000 ( 2046 PWs) bands (ev): -10.9980 -10.9980 -9.1621 -9.1621 -8.4041 -8.4041 -7.8298 -7.8298 -7.4300 -7.4300 -4.6274 -4.6274 -2.2418 -2.2418 -1.7493 -1.7493 -0.9514 -0.9514 -0.2574 -0.2574 1.9128 1.9128 2.9249 2.9249 3.0302 3.0302 3.9298 3.9298 8.2682 8.2682 8.6597 8.6597 9.0405 9.0405 9.3143 9.3143 9.8396 9.8396 11.1343 11.1343 k =-0.4644 0.4725-0.0000 ( 2058 PWs) bands (ev): -10.9889 -10.9889 -9.2513 -9.2513 -8.4137 -8.4137 -7.7351 -7.7351 -7.4219 -7.4219 -4.6294 -4.6294 -2.2331 -2.2331 -1.7426 -1.7426 -0.9205 -0.9205 -0.2725 -0.2725 1.9183 1.9183 2.8926 2.8926 3.0111 3.0111 3.9533 3.9533 8.2776 8.2776 8.6382 8.6382 9.0220 9.0220 9.3086 9.3086 9.7994 9.7994 11.1151 11.1151 k =-0.4573 0.4807-0.0000 ( 2056 PWs) bands (ev): -10.9778 -10.9778 -9.3465 -9.3465 -8.4255 -8.4255 -7.6331 -7.6331 -7.4118 -7.4118 -4.6315 -4.6315 -2.2225 -2.2225 -1.7344 -1.7344 -0.8829 -0.8829 -0.2903 -0.2903 1.9252 1.9252 2.8534 2.8534 2.9881 2.9881 3.9815 3.9815 8.2890 8.2890 8.6120 8.6120 8.9997 8.9997 9.3017 9.3017 9.7511 9.7511 11.0922 11.0922 k =-0.4502 0.4890-0.0000 ( 2056 PWs) bands (ev): -10.9646 -10.9646 -9.4457 -9.4457 -8.4393 -8.4393 -7.5261 -7.5261 -7.4000 -7.4000 -4.6335 -4.6335 -2.2102 -2.2102 -1.7247 -1.7247 -0.8395 -0.8395 -0.3105 -0.3105 1.9334 1.9334 2.8074 2.8074 2.9612 2.9612 4.0143 4.0143 8.3023 8.3023 8.5813 8.5813 8.9737 8.9737 9.2934 9.2934 9.6949 9.6949 11.0657 11.0657 k =-0.4431 0.4972-0.0000 ( 2056 PWs) bands (ev): -10.9494 -10.9494 -9.5472 -9.5472 -8.4551 -8.4551 -7.4156 -7.4156 -7.3863 -7.3863 -4.6351 -4.6351 -2.1964 -2.1964 -1.7137 -1.7137 -0.7903 -0.7903 -0.3328 -0.3328 1.9430 1.9430 2.7547 2.7547 2.9303 2.9303 4.0512 4.0512 8.3174 8.3174 8.5462 8.5462 8.9440 8.9440 9.2838 9.2838 9.6314 9.6314 11.0358 11.0358 k =-0.4360 0.5055-0.0000 ( 2056 PWs) bands (ev): -10.9323 -10.9323 -9.6501 -9.6501 -8.4730 -8.4730 -7.3709 -7.3709 -7.3027 -7.3027 -4.6361 -4.6361 -2.1811 -2.1811 -1.7012 -1.7012 -0.7357 -0.7357 -0.3565 -0.3565 1.9541 1.9541 2.6957 2.6957 2.8955 2.8955 4.0919 4.0919 8.3342 8.3342 8.5068 8.5068 8.9108 8.9108 9.2728 9.2728 9.5609 9.5609 11.0028 11.0028 k =-0.4360 0.5055-0.0000 ( 2056 PWs) bands (ev): -10.9323 -10.9323 -9.6501 -9.6501 -8.4730 -8.4730 -7.3709 -7.3709 -7.3027 -7.3027 -4.6361 -4.6361 -2.1811 -2.1811 -1.7012 -1.7012 -0.7357 -0.7357 -0.3565 -0.3565 1.9541 1.9541 2.6957 2.6957 2.8955 2.8955 4.0919 4.0919 8.3342 8.3342 8.5068 8.5068 8.9108 8.9108 9.2728 9.2728 9.5609 9.5609 11.0028 11.0028 k =-0.4360 0.5055 0.0111 ( 2054 PWs) bands (ev): -10.9322 -10.9322 -9.6500 -9.6500 -8.4731 -8.4731 -7.3712 -7.3712 -7.3027 -7.3027 -4.6364 -4.6364 -2.1815 -2.1815 -1.7003 -1.7003 -0.7356 -0.7356 -0.3560 -0.3560 1.9535 1.9535 2.6958 2.6958 2.8956 2.8956 4.0943 4.0943 8.3192 8.3192 8.5054 8.5054 8.9110 8.9110 9.2880 9.2880 9.5609 9.5609 11.0032 11.0032 k =-0.4360 0.5055 0.0222 ( 2056 PWs) bands (ev): -10.9320 -10.9320 -9.6498 -9.6498 -8.4732 -8.4732 -7.3722 -7.3722 -7.3026 -7.3026 -4.6372 -4.6372 -2.1827 -2.1827 -1.6976 -1.6976 -0.7353 -0.7353 -0.3546 -0.3546 1.9517 1.9517 2.6958 2.6958 2.8955 2.8955 4.1013 4.1013 8.2769 8.2769 8.5010 8.5010 8.9115 8.9115 9.3308 9.3308 9.5608 9.5608 11.0045 11.0045 k =-0.4360 0.5055 0.0333 ( 2043 PWs) bands (ev): -10.9316 -10.9316 -9.6494 -9.6494 -8.4734 -8.4734 -7.3739 -7.3739 -7.3024 -7.3024 -4.6385 -4.6385 -2.1846 -2.1846 -1.6930 -1.6930 -0.7349 -0.7349 -0.3521 -0.3521 1.9487 1.9487 2.6961 2.6961 2.8955 2.8955 4.1131 4.1131 8.2138 8.2138 8.4938 8.4938 8.9124 8.9124 9.3950 9.3950 9.5607 9.5607 11.0066 11.0066 k =-0.4360 0.5055 0.0444 ( 2045 PWs) bands (ev): -10.9310 -10.9310 -9.6489 -9.6489 -8.4737 -8.4737 -7.3763 -7.3763 -7.3023 -7.3023 -4.6402 -4.6402 -2.1872 -2.1872 -1.6867 -1.6867 -0.7343 -0.7343 -0.3487 -0.3487 1.9447 1.9447 2.6962 2.6962 2.8954 2.8954 4.1292 4.1292 8.1363 8.1363 8.4839 8.4839 8.9134 8.9134 9.4735 9.4735 9.5605 9.5605 11.0095 11.0095 k =-0.4360 0.5055 0.0555 ( 2047 PWs) bands (ev): -10.9304 -10.9304 -9.6482 -9.6482 -8.4741 -8.4741 -7.3793 -7.3793 -7.3020 -7.3020 -4.6425 -4.6425 -2.1905 -2.1905 -1.6788 -1.6788 -0.7336 -0.7336 -0.3445 -0.3445 1.9397 1.9397 2.6964 2.6964 2.8953 2.8953 4.1495 4.1495 8.0495 8.0495 8.4712 8.4712 8.9147 8.9147 9.5578 9.5578 9.5636 9.5636 11.0135 11.0135 k =-0.4360 0.5055 0.0666 ( 2045 PWs) bands (ev): -10.9296 -10.9296 -9.6474 -9.6474 -8.4745 -8.4745 -7.3828 -7.3828 -7.3017 -7.3017 -4.6452 -4.6452 -2.1944 -2.1944 -1.6694 -1.6694 -0.7327 -0.7327 -0.3393 -0.3393 1.9337 1.9337 2.6967 2.6967 2.8953 2.8953 4.1739 4.1739 7.9576 7.9576 8.4558 8.4558 8.9163 8.9163 9.5598 9.5598 9.6543 9.6543 11.0187 11.0187 k =-0.4360 0.5055 0.0777 ( 2045 PWs) bands (ev): -10.9287 -10.9287 -9.6465 -9.6465 -8.4750 -8.4750 -7.3869 -7.3869 -7.3014 -7.3014 -4.6483 -4.6483 -2.1990 -2.1990 -1.6584 -1.6584 -0.7318 -0.7318 -0.3335 -0.3335 1.9271 1.9271 2.6969 2.6969 2.8951 2.8951 4.2019 4.2019 7.8628 7.8628 8.4381 8.4381 8.9180 8.9180 9.5595 9.5595 9.7497 9.7497 11.0253 11.0253 k =-0.4360 0.5055 0.0888 ( 2043 PWs) bands (ev): -10.9277 -10.9277 -9.6454 -9.6454 -8.4756 -8.4756 -7.3915 -7.3915 -7.3010 -7.3010 -4.6517 -4.6517 -2.2041 -2.2041 -1.6461 -1.6461 -0.7308 -0.7308 -0.3268 -0.3268 1.9200 1.9200 2.6972 2.6972 2.8950 2.8950 4.2333 4.2333 7.7669 7.7669 8.4180 8.4180 8.9201 8.9201 9.5590 9.5590 9.8455 9.8455 11.0335 11.0335 k =-0.4360 0.5055 0.0999 ( 2042 PWs) bands (ev): -10.9265 -10.9265 -9.6443 -9.6443 -8.4763 -8.4763 -7.3965 -7.3965 -7.3006 -7.3006 -4.6555 -4.6555 -2.2096 -2.2096 -1.6327 -1.6327 -0.7298 -0.7298 -0.3194 -0.3194 1.9124 1.9124 2.6975 2.6975 2.8948 2.8948 4.2677 4.2677 7.6712 7.6712 8.3957 8.3957 8.9220 8.9220 9.5586 9.5586 9.9400 9.9400 11.0435 11.0435 k =-0.4360 0.5055 0.1110 ( 2039 PWs) bands (ev): -10.9253 -10.9253 -9.6431 -9.6431 -8.4769 -8.4769 -7.4018 -7.4018 -7.3002 -7.3002 -4.6595 -4.6595 -2.2155 -2.2155 -1.6182 -1.6182 -0.7288 -0.7288 -0.3115 -0.3115 1.9046 1.9046 2.6979 2.6979 2.8946 2.8946 4.3047 4.3047 7.5768 7.5768 8.3714 8.3714 8.9240 8.9240 9.5581 9.5581 10.0320 10.0320 11.0559 11.0559 k =-0.4360 0.5055 0.1221 ( 2037 PWs) bands (ev): -10.9241 -10.9241 -9.6418 -9.6418 -8.4777 -8.4777 -7.4074 -7.4074 -7.2997 -7.2997 -4.6637 -4.6637 -2.2217 -2.2217 -1.6029 -1.6029 -0.7279 -0.7279 -0.3031 -0.3031 1.8966 1.8966 2.6983 2.6983 2.8944 2.8944 4.3438 4.3438 7.4842 7.4842 8.3454 8.3454 8.9261 8.9261 9.5576 9.5576 10.1200 10.1200 11.0708 11.0708 k =-0.4360 0.5055 0.1332 ( 2039 PWs) bands (ev): -10.9227 -10.9227 -9.6405 -9.6405 -8.4784 -8.4784 -7.4132 -7.4132 -7.2992 -7.2992 -4.6681 -4.6681 -2.2282 -2.2282 -1.5869 -1.5869 -0.7270 -0.7270 -0.2943 -0.2943 1.8885 1.8885 2.6987 2.6987 2.8942 2.8942 4.3847 4.3847 7.3941 7.3941 8.3178 8.3178 8.9281 8.9281 9.5571 9.5571 10.2029 10.2029 11.0888 11.0888 k =-0.4360 0.5055 0.1443 ( 2037 PWs) bands (ev): -10.9214 -10.9214 -9.6391 -9.6391 -8.4792 -8.4792 -7.4192 -7.4192 -7.2987 -7.2987 -4.6726 -4.6726 -2.2347 -2.2347 -1.5705 -1.5705 -0.7261 -0.7261 -0.2852 -0.2852 1.8806 1.8806 2.6991 2.6991 2.8940 2.8940 4.4269 4.4269 7.3072 7.3072 8.2889 8.2889 8.9302 8.9302 9.5565 9.5565 10.2799 10.2799 11.1102 11.1102 k =-0.4360 0.5055 0.1554 ( 2042 PWs) bands (ev): -10.9200 -10.9200 -9.6377 -9.6377 -8.4800 -8.4800 -7.4253 -7.4253 -7.2982 -7.2982 -4.6771 -4.6771 -2.2414 -2.2414 -1.5538 -1.5538 -0.7254 -0.7254 -0.2761 -0.2761 1.8729 1.8729 2.6994 2.6994 2.8937 2.8937 4.4698 4.4698 7.2239 7.2239 8.2591 8.2591 8.9321 8.9321 9.5559 9.5559 10.3498 10.3498 11.1353 11.1353 k =-0.4360 0.5055 0.1665 ( 2045 PWs) bands (ev): -10.9186 -10.9186 -9.6363 -9.6363 -8.4808 -8.4808 -7.4313 -7.4313 -7.2977 -7.2977 -4.6816 -4.6816 -2.2481 -2.2481 -1.5370 -1.5370 -0.7248 -0.7248 -0.2667 -0.2667 1.8654 1.8654 2.6998 2.6998 2.8934 2.8934 4.5131 4.5131 7.1446 7.1446 8.2285 8.2285 8.9341 8.9341 9.5553 9.5553 10.4121 10.4121 11.1642 11.1642 k =-0.4360 0.5055 0.1776 ( 2053 PWs) bands (ev): -10.9173 -10.9173 -9.6349 -9.6349 -8.4816 -8.4816 -7.4373 -7.4373 -7.2972 -7.2972 -4.6860 -4.6860 -2.2546 -2.2546 -1.5203 -1.5203 -0.7243 -0.7243 -0.2575 -0.2575 1.8583 1.8583 2.7002 2.7002 2.8931 2.8931 4.5561 4.5561 7.0696 7.0696 8.1977 8.1977 8.9359 8.9359 9.5547 9.5547 10.4664 10.4664 11.1967 11.1967 k =-0.4360 0.5055 0.1887 ( 2053 PWs) bands (ev): -10.9160 -10.9160 -9.6335 -9.6335 -8.4824 -8.4824 -7.4431 -7.4431 -7.2967 -7.2967 -4.6903 -4.6903 -2.2610 -2.2610 -1.5040 -1.5040 -0.7238 -0.7238 -0.2484 -0.2484 1.8517 1.8517 2.7006 2.7006 2.8928 2.8928 4.5985 4.5985 6.9993 6.9993 8.1670 8.1670 8.9376 8.9376 9.5541 9.5541 10.5128 10.5128 11.2325 11.2325 k =-0.4360 0.5055 0.1998 ( 2057 PWs) bands (ev): -10.9147 -10.9147 -9.6322 -9.6322 -8.4832 -8.4832 -7.4486 -7.4486 -7.2963 -7.2963 -4.6944 -4.6944 -2.2671 -2.2671 -1.4884 -1.4884 -0.7235 -0.7235 -0.2396 -0.2396 1.8455 1.8455 2.7010 2.7010 2.8925 2.8925 4.6397 4.6397 6.9341 6.9341 8.1368 8.1368 8.9393 8.9393 9.5535 9.5535 10.5517 10.5517 11.2704 11.2704 k =-0.4360 0.5055 0.2109 ( 2059 PWs) bands (ev): -10.9135 -10.9135 -9.6310 -9.6310 -8.4839 -8.4839 -7.4539 -7.4539 -7.2958 -7.2958 -4.6982 -4.6982 -2.2728 -2.2728 -1.4734 -1.4734 -0.7233 -0.7233 -0.2313 -0.2313 1.8399 1.8399 2.7013 2.7013 2.8923 2.8923 4.6791 4.6791 6.8741 6.8741 8.1076 8.1076 8.9408 8.9408 9.5530 9.5530 10.5838 10.5838 11.3095 11.3095 k =-0.4360 0.5055 0.2220 ( 2055 PWs) bands (ev): -10.9123 -10.9123 -9.6298 -9.6298 -8.4845 -8.4845 -7.4588 -7.4588 -7.2954 -7.2954 -4.7018 -4.7018 -2.2782 -2.2782 -1.4595 -1.4595 -0.7232 -0.7232 -0.2234 -0.2234 1.8347 1.8347 2.7017 2.7017 2.8921 2.8921 4.7162 4.7162 6.8197 6.8197 8.0797 8.0797 8.9422 8.9422 9.5526 9.5526 10.6099 10.6099 11.3484 11.3484 k =-0.4360 0.5055 0.2331 ( 2051 PWs) bands (ev): -10.9113 -10.9113 -9.6287 -9.6287 -8.4851 -8.4851 -7.4632 -7.4632 -7.2950 -7.2950 -4.7051 -4.7051 -2.2830 -2.2830 -1.4466 -1.4466 -0.7231 -0.7231 -0.2161 -0.2161 1.8302 1.8302 2.7021 2.7021 2.8919 2.8919 4.7505 4.7505 6.7711 6.7711 8.0537 8.0537 8.9435 8.9435 9.5522 9.5522 10.6310 10.6310 11.3860 11.3860 k =-0.4360 0.5055 0.2442 ( 2050 PWs) bands (ev): -10.9104 -10.9104 -9.6278 -9.6278 -8.4857 -8.4857 -7.4672 -7.4672 -7.2947 -7.2947 -4.7080 -4.7080 -2.2874 -2.2874 -1.4351 -1.4351 -0.7230 -0.7230 -0.2096 -0.2096 1.8263 1.8263 2.7024 2.7024 2.8916 2.8916 4.7814 4.7814 6.7285 6.7285 8.0300 8.0300 8.9446 8.9446 9.5518 9.5518 10.6477 10.6477 11.4208 11.4208 k =-0.4360 0.5055 0.2553 ( 2052 PWs) bands (ev): -10.9096 -10.9096 -9.6269 -9.6269 -8.4862 -8.4862 -7.4706 -7.4706 -7.2944 -7.2944 -4.7105 -4.7105 -2.2911 -2.2911 -1.4251 -1.4251 -0.7230 -0.7230 -0.2040 -0.2040 1.8229 1.8229 2.7027 2.7027 2.8915 2.8915 4.8086 4.8086 6.6921 6.6921 8.0090 8.0090 8.9456 8.9456 9.5514 9.5514 10.6607 10.6607 11.4520 11.4520 k =-0.4360 0.5055 0.2664 ( 2052 PWs) bands (ev): -10.9089 -10.9089 -9.6262 -9.6262 -8.4866 -8.4866 -7.4735 -7.4735 -7.2941 -7.2941 -4.7126 -4.7126 -2.2943 -2.2943 -1.4167 -1.4167 -0.7231 -0.7231 -0.1992 -0.1992 1.8201 1.8201 2.7029 2.7029 2.8913 2.8913 4.8314 4.8314 6.6622 6.6622 7.9912 7.9912 8.9464 8.9464 9.5512 9.5512 10.6707 10.6707 11.4786 11.4786 k =-0.4360 0.5055 0.2775 ( 2054 PWs) bands (ev): -10.9083 -10.9083 -9.6257 -9.6257 -8.4869 -8.4869 -7.4758 -7.4758 -7.2940 -7.2940 -4.7143 -4.7143 -2.2968 -2.2968 -1.4101 -1.4101 -0.7231 -0.7231 -0.1955 -0.1955 1.8180 1.8180 2.7031 2.7031 2.8912 2.8912 4.8497 4.8497 6.6387 6.6387 7.9769 7.9769 8.9470 8.9470 9.5509 9.5509 10.6780 10.6780 11.5000 11.5000 k =-0.4360 0.5055 0.2886 ( 2054 PWs) bands (ev): -10.9080 -10.9080 -9.6253 -9.6253 -8.4871 -8.4871 -7.4775 -7.4775 -7.2938 -7.2938 -4.7155 -4.7155 -2.2986 -2.2986 -1.4053 -1.4053 -0.7232 -0.7232 -0.1928 -0.1928 1.8165 1.8165 2.7033 2.7033 2.8911 2.8911 4.8629 4.8629 6.6218 6.6218 7.9666 7.9666 8.9476 8.9476 9.5508 9.5508 10.6831 10.6831 11.5157 11.5157 k =-0.4360 0.5055 0.2997 ( 2054 PWs) bands (ev): -10.9077 -10.9077 -9.6251 -9.6251 -8.4873 -8.4873 -7.4785 -7.4785 -7.2937 -7.2937 -4.7162 -4.7162 -2.2996 -2.2996 -1.4024 -1.4024 -0.7232 -0.7232 -0.1912 -0.1912 1.8155 1.8155 2.7034 2.7034 2.8911 2.8911 4.8710 4.8710 6.6117 6.6117 7.9602 7.9602 8.9478 8.9478 9.5507 9.5507 10.6860 10.6860 11.5253 11.5253 k =-0.4360 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9076 -10.9076 -9.6250 -9.6250 -8.4873 -8.4873 -7.4788 -7.4788 -7.2937 -7.2937 -4.7164 -4.7164 -2.3000 -2.3000 -1.4014 -1.4014 -0.7232 -0.7232 -0.1906 -0.1906 1.8152 1.8152 2.7034 2.7034 2.8911 2.8911 4.8737 4.8737 6.6083 6.6083 7.9581 7.9581 8.9479 8.9479 9.5507 9.5507 10.6870 10.6870 11.5285 11.5285 k =-0.4360 0.5055 0.3108 ( 2054 PWs) bands (ev): -10.9076 -10.9076 -9.6250 -9.6250 -8.4873 -8.4873 -7.4788 -7.4788 -7.2937 -7.2937 -4.7164 -4.7164 -2.3000 -2.3000 -1.4014 -1.4014 -0.7232 -0.7232 -0.1906 -0.1906 1.8152 1.8152 2.7034 2.7034 2.8911 2.8911 4.8737 4.8737 6.6083 6.6083 7.9581 7.9581 8.9479 8.9479 9.5507 9.5507 10.6870 10.6870 11.5285 11.5285 k =-0.4431 0.4972 0.3108 ( 2058 PWs) bands (ev): -10.9248 -10.9248 -9.5230 -9.5230 -8.4669 -8.4669 -7.4945 -7.4945 -7.4048 -7.4048 -4.7185 -4.7185 -2.3217 -2.3217 -1.4125 -1.4125 -0.7790 -0.7790 -0.1692 -0.1692 1.8121 1.8121 2.7611 2.7611 2.9268 2.9268 4.8364 4.8364 6.5886 6.5886 8.0073 8.0073 8.9823 8.9823 9.6215 9.6215 10.7542 10.7542 11.5153 11.5153 k =-0.4502 0.4890 0.3108 ( 2058 PWs) bands (ev): -10.9399 -10.9399 -9.4225 -9.4225 -8.4488 -8.4488 -7.5135 -7.5135 -7.5083 -7.5083 -4.7196 -4.7196 -2.3409 -2.3409 -1.4223 -1.4223 -0.8292 -0.8292 -0.1496 -0.1496 1.8095 1.8095 2.8125 2.8125 2.9587 2.9587 4.8030 4.8030 6.5710 6.5710 8.0515 8.0515 9.0130 9.0130 9.6853 9.6853 10.8199 10.8199 11.4979 11.4979 k =-0.4573 0.4807 0.3108 ( 2066 PWs) bands (ev): -10.9531 -10.9531 -9.3245 -9.3245 -8.4329 -8.4329 -7.6187 -7.6187 -7.5203 -7.5203 -4.7202 -4.7202 -2.3577 -2.3577 -1.4310 -1.4310 -0.8735 -0.8735 -0.1320 -0.1320 1.8074 1.8074 2.8575 2.8575 2.9865 2.9865 4.7735 4.7735 6.5555 6.5555 8.0904 8.0904 9.0399 9.0399 9.7416 9.7416 10.8835 10.8835 11.4763 11.4763 k =-0.4644 0.4725 0.3108 ( 2062 PWs) bands (ev): -10.9642 -10.9642 -9.2305 -9.2305 -8.4195 -8.4195 -7.7189 -7.7189 -7.5304 -7.5304 -4.7203 -4.7203 -2.3720 -2.3720 -1.4383 -1.4383 -0.9116 -0.9116 -0.1166 -0.1166 1.8057 1.8057 2.8959 2.8959 3.0103 3.0103 4.7482 4.7482 6.5422 6.5422 8.1238 8.1238 9.0629 9.0629 9.7901 9.7901 10.9449 10.9449 11.4510 11.4510 k =-0.4716 0.4643 0.3108 ( 2062 PWs) bands (ev): -10.9733 -10.9733 -9.1427 -9.1427 -8.4084 -8.4084 -7.8118 -7.8118 -7.5387 -7.5387 -4.7201 -4.7201 -2.3838 -2.3838 -1.4444 -1.4444 -0.9432 -0.9432 -0.1038 -0.1038 1.8044 1.8044 2.9275 2.9275 3.0299 3.0299 4.7273 4.7273 6.5312 6.5312 8.1514 8.1514 9.0819 9.0819 9.8303 9.8303 11.0030 11.0030 11.4225 11.4225 k =-0.4787 0.4560 0.3108 ( 2068 PWs) bands (ev): -10.9803 -10.9803 -9.0646 -9.0646 -8.3998 -8.3998 -7.8939 -7.8939 -7.5452 -7.5452 -4.7198 -4.7198 -2.3929 -2.3929 -1.4491 -1.4491 -0.9680 -0.9680 -0.0937 -0.0937 1.8034 1.8034 2.9522 2.9522 3.0453 3.0453 4.7108 4.7108 6.5226 6.5226 8.1730 8.1730 9.0968 9.0968 9.8620 9.8620 11.0570 11.0570 11.3916 11.3916 k =-0.4858 0.4478 0.3108 ( 2064 PWs) bands (ev): -10.9854 -10.9854 -9.0011 -9.0011 -8.3936 -8.3936 -7.9603 -7.9603 -7.5498 -7.5498 -4.7195 -4.7195 -2.3995 -2.3995 -1.4525 -1.4525 -0.9858 -0.9858 -0.0863 -0.0863 1.8027 1.8027 2.9702 2.9702 3.0563 3.0563 4.6990 4.6990 6.5165 6.5165 8.1886 8.1886 9.1075 9.1075 9.8849 9.8849 11.1048 11.1048 11.3605 11.3605 k =-0.4929 0.4395 0.3108 ( 2068 PWs) bands (ev): -10.9884 -10.9884 -8.9587 -8.9587 -8.3899 -8.3899 -8.0044 -8.0044 -7.5525 -7.5525 -4.7193 -4.7193 -2.4034 -2.4034 -1.4545 -1.4545 -0.9967 -0.9967 -0.0819 -0.0819 1.8023 1.8023 2.9808 2.9808 3.0629 3.0629 4.6919 4.6919 6.5127 6.5127 8.1980 8.1980 9.1139 9.1139 9.8986 9.8986 11.1412 11.1412 11.3340 11.3340 k =-0.5000 0.4313 0.3108 ( 2072 PWs) bands (ev): -10.9895 -10.9895 -8.9437 -8.9437 -8.3887 -8.3887 -8.0200 -8.0200 -7.5535 -7.5535 -4.7192 -4.7192 -2.4047 -2.4047 -1.4552 -1.4552 -1.0004 -1.0004 -0.0804 -0.0804 1.8022 1.8022 2.9844 2.9844 3.0651 3.0651 4.6895 4.6895 6.5115 6.5115 8.2011 8.2011 9.1161 9.1161 9.9032 9.9032 11.1561 11.1561 11.3224 11.3224 k =-0.5000 0.4313 0.3108 ( 2072 PWs) bands (ev): -10.9895 -10.9895 -8.9437 -8.9437 -8.3887 -8.3887 -8.0200 -8.0200 -7.5535 -7.5535 -4.7192 -4.7192 -2.4047 -2.4047 -1.4552 -1.4552 -1.0004 -1.0004 -0.0804 -0.0804 1.8022 1.8022 2.9844 2.9844 3.0651 3.0651 4.6895 4.6895 6.5115 6.5115 8.2011 8.2011 9.1161 9.1161 9.9032 9.9032 11.1561 11.1561 11.3224 11.3224 k =-0.5000 0.4313 0.2997 ( 2060 PWs) bands (ev): -10.9895 -10.9895 -8.9437 -8.9437 -8.3886 -8.3886 -8.0201 -8.0201 -7.5531 -7.5531 -4.7189 -4.7189 -2.4043 -2.4043 -1.4561 -1.4561 -1.0003 -1.0003 -0.0809 -0.0809 1.8023 1.8023 2.9844 2.9844 3.0651 3.0651 4.6869 4.6869 6.5150 6.5150 8.2031 8.2031 9.1160 9.1160 9.9033 9.9033 11.1561 11.1561 11.3181 11.3181 k =-0.5000 0.4313 0.2886 ( 2060 PWs) bands (ev): -10.9897 -10.9897 -8.9439 -8.9439 -8.3886 -8.3886 -8.0203 -8.0203 -7.5521 -7.5521 -4.7180 -4.7180 -2.4030 -2.4030 -1.4591 -1.4591 -1.0002 -1.0002 -0.0822 -0.0822 1.8028 1.8028 2.9844 2.9844 3.0651 3.0651 4.6789 4.6789 6.5253 6.5253 8.2088 8.2088 9.1157 9.1157 9.9033 9.9033 11.1563 11.1563 11.3050 11.3050 k =-0.5000 0.4313 0.2775 ( 2062 PWs) bands (ev): -10.9901 -10.9901 -8.9441 -8.9441 -8.3886 -8.3886 -8.0207 -8.0207 -7.5504 -7.5504 -4.7166 -4.7166 -2.4009 -2.4009 -1.4641 -1.4641 -1.0000 -1.0000 -0.0845 -0.0845 1.8035 1.8035 2.9844 2.9844 3.0651 3.0651 4.6657 4.6657 6.5424 6.5424 8.2180 8.2180 9.1151 9.1151 9.9035 9.9035 11.1565 11.1565 11.2829 11.2829 k =-0.5000 0.4313 0.2664 ( 2062 PWs) bands (ev): -10.9907 -10.9907 -8.9445 -8.9445 -8.3886 -8.3886 -8.0212 -8.0212 -7.5482 -7.5482 -4.7145 -4.7145 -2.3980 -2.3980 -1.4709 -1.4709 -0.9998 -0.9998 -0.0876 -0.0876 1.8045 1.8045 2.9843 2.9843 3.0650 3.0650 4.6474 4.6474 6.5663 6.5663 8.2306 8.2306 9.1144 9.1144 9.9036 9.9036 11.1567 11.1567 11.2528 11.2528 k =-0.5000 0.4313 0.2553 ( 2066 PWs) bands (ev): -10.9913 -10.9913 -8.9449 -8.9449 -8.3885 -8.3885 -8.0218 -8.0218 -7.5453 -7.5453 -4.7120 -4.7120 -2.3944 -2.3944 -1.4795 -1.4795 -0.9996 -0.9996 -0.0917 -0.0917 1.8059 1.8059 2.9840 2.9840 3.0650 3.0650 4.6246 4.6246 6.5968 6.5968 8.2465 8.2465 9.1135 9.1135 9.9038 9.9038 11.1570 11.1570 11.2142 11.2142 k =-0.5000 0.4313 0.2442 ( 2064 PWs) bands (ev): -10.9922 -10.9922 -8.9454 -8.9454 -8.3885 -8.3885 -8.0226 -8.0226 -7.5418 -7.5418 -4.7089 -4.7089 -2.3899 -2.3899 -1.4897 -1.4897 -0.9993 -0.9993 -0.0964 -0.0964 1.8077 1.8077 2.9839 2.9839 3.0649 3.0649 4.5974 4.5974 6.6338 6.6338 8.2652 8.2652 9.1125 9.1125 9.9041 9.9041 11.1574 11.1574 11.1676 11.1676 k =-0.5000 0.4313 0.2331 ( 2060 PWs) bands (ev): -10.9931 -10.9931 -8.9459 -8.9459 -8.3884 -8.3884 -8.0234 -8.0234 -7.5377 -7.5377 -4.7054 -4.7054 -2.3848 -2.3848 -1.5013 -1.5013 -0.9990 -0.9990 -0.1020 -0.1020 1.8098 1.8098 2.9839 2.9839 3.0649 3.0649 4.5663 4.5663 6.6772 6.6772 8.2864 8.2864 9.1112 9.1112 9.9044 9.9044 11.1135 11.1135 11.1579 11.1579 k =-0.5000 0.4313 0.2220 ( 2058 PWs) bands (ev): -10.9941 -10.9941 -8.9466 -8.9466 -8.3883 -8.3883 -8.0244 -8.0244 -7.5332 -7.5332 -4.7014 -4.7014 -2.3789 -2.3789 -1.5145 -1.5145 -0.9988 -0.9988 -0.1081 -0.1081 1.8123 1.8123 2.9838 2.9838 3.0649 3.0649 4.5318 4.5318 6.7267 6.7267 8.3097 8.3097 9.1098 9.1098 9.9048 9.9048 11.0520 11.0520 11.1585 11.1585 k =-0.5000 0.4313 0.2109 ( 2054 PWs) bands (ev): -10.9953 -10.9953 -8.9473 -8.9473 -8.3882 -8.3882 -8.0254 -8.0254 -7.5283 -7.5283 -4.6971 -4.6971 -2.3726 -2.3726 -1.5287 -1.5287 -0.9986 -0.9986 -0.1149 -0.1149 1.8153 1.8153 2.9838 2.9838 3.0648 3.0648 4.4943 4.4943 6.7821 6.7821 8.3347 8.3347 9.1082 9.1082 9.9052 9.9052 10.9838 10.9838 11.1592 11.1592 k =-0.5000 0.4313 0.1998 ( 2050 PWs) bands (ev): -10.9965 -10.9965 -8.9481 -8.9481 -8.3881 -8.3881 -8.0266 -8.0266 -7.5230 -7.5230 -4.6924 -4.6924 -2.3656 -2.3656 -1.5440 -1.5440 -0.9984 -0.9984 -0.1222 -0.1222 1.8187 1.8187 2.9837 2.9837 3.0648 3.0648 4.4544 4.4544 6.8431 6.8431 8.3610 8.3610 9.1065 9.1065 9.9056 9.9056 10.9091 10.9091 11.1599 11.1599 k =-0.5000 0.4313 0.1887 ( 2042 PWs) bands (ev): -10.9978 -10.9978 -8.9489 -8.9489 -8.3880 -8.3880 -8.0277 -8.0277 -7.5174 -7.5174 -4.6874 -4.6874 -2.3583 -2.3583 -1.5600 -1.5600 -0.9983 -0.9983 -0.1298 -0.1298 1.8226 1.8226 2.9837 2.9837 3.0648 3.0648 4.4126 4.4126 6.9095 6.9095 8.3882 8.3882 9.1047 9.1047 9.9061 9.9061 10.8288 10.8288 11.1606 11.1606 k =-0.5000 0.4313 0.1776 ( 2042 PWs) bands (ev): -10.9991 -10.9991 -8.9497 -8.9497 -8.3879 -8.3879 -8.0290 -8.0290 -7.5116 -7.5116 -4.6822 -4.6822 -2.3506 -2.3506 -1.5767 -1.5767 -0.9984 -0.9984 -0.1379 -0.1379 1.8269 1.8269 2.9836 2.9836 3.0647 3.0647 4.3694 4.3694 6.9810 6.9810 8.4159 8.4159 9.1027 9.1027 9.9066 9.9066 10.7429 10.7429 11.1613 11.1613 k =-0.5000 0.4313 0.1665 ( 2050 PWs) bands (ev): -11.0005 -11.0005 -8.9506 -8.9506 -8.3879 -8.3879 -8.0303 -8.0303 -7.5056 -7.5056 -4.6770 -4.6770 -2.3426 -2.3426 -1.5937 -1.5937 -0.9986 -0.9986 -0.1462 -0.1462 1.8316 1.8316 2.9835 2.9835 3.0646 3.0646 4.3252 4.3252 7.0572 7.0572 8.4437 8.4437 9.1006 9.1006 9.9070 9.9070 10.6521 10.6521 11.1620 11.1620 k =-0.5000 0.4313 0.1554 ( 2054 PWs) bands (ev): -11.0019 -11.0019 -8.9515 -8.9515 -8.3878 -8.3878 -8.0316 -8.0316 -7.4995 -7.4995 -4.6717 -4.6717 -2.3344 -2.3344 -1.6108 -1.6108 -0.9989 -0.9989 -0.1547 -0.1547 1.8368 1.8368 2.9834 2.9834 3.0645 3.0645 4.2807 4.2807 7.1379 7.1379 8.4713 8.4713 9.0983 9.0983 9.9075 9.9075 10.5569 10.5569 11.1626 11.1626 k =-0.5000 0.4313 0.1443 ( 2058 PWs) bands (ev): -11.0033 -11.0033 -8.9523 -8.9523 -8.3877 -8.3877 -8.0329 -8.0329 -7.4934 -7.4934 -4.6663 -4.6663 -2.3262 -2.3262 -1.6279 -1.6279 -0.9994 -0.9994 -0.1631 -0.1631 1.8424 1.8424 2.9832 2.9832 3.0644 3.0644 4.2365 4.2365 7.2225 7.2225 8.4984 8.4984 9.0960 9.0960 9.9080 9.9080 10.4579 10.4579 11.1633 11.1633 k =-0.5000 0.4313 0.1332 ( 2056 PWs) bands (ev): -11.0046 -11.0046 -8.9532 -8.9532 -8.3876 -8.3876 -8.0341 -8.0341 -7.4873 -7.4873 -4.6610 -4.6610 -2.3180 -2.3180 -1.6447 -1.6447 -0.9999 -0.9999 -0.1714 -0.1714 1.8483 1.8483 2.9832 2.9832 3.0643 3.0643 4.1930 4.1930 7.3108 7.3108 8.5246 8.5246 9.0937 9.0937 9.9085 9.9085 10.3559 10.3559 11.1640 11.1640 k =-0.5000 0.4313 0.1221 ( 2052 PWs) bands (ev): -11.0059 -11.0059 -8.9540 -8.9540 -8.3875 -8.3875 -8.0354 -8.0354 -7.4814 -7.4814 -4.6558 -4.6558 -2.3099 -2.3099 -1.6609 -1.6609 -1.0006 -1.0006 -0.1794 -0.1794 1.8545 1.8545 2.9831 2.9831 3.0643 3.0643 4.1507 4.1507 7.4023 7.4023 8.5498 8.5498 9.0913 9.0913 9.9090 9.9090 10.2513 10.2513 11.1647 11.1647 k =-0.5000 0.4313 0.1110 ( 2056 PWs) bands (ev): -11.0072 -11.0072 -8.9548 -8.9548 -8.3874 -8.3874 -8.0365 -8.0365 -7.4758 -7.4758 -4.6508 -4.6508 -2.3020 -2.3020 -1.6766 -1.6766 -1.0013 -1.0013 -0.1872 -0.1872 1.8608 1.8608 2.9830 2.9830 3.0642 3.0642 4.1099 4.1099 7.4961 7.4961 8.5735 8.5735 9.0889 9.0889 9.9094 9.9094 10.1449 10.1449 11.1653 11.1653 k =-0.5000 0.4313 0.0999 ( 2052 PWs) bands (ev): -11.0084 -11.0084 -8.9556 -8.9556 -8.3874 -8.3874 -8.0377 -8.0377 -7.4704 -7.4704 -4.6460 -4.6460 -2.2945 -2.2945 -1.6914 -1.6914 -1.0022 -1.0022 -0.1945 -0.1945 1.8672 1.8672 2.9830 2.9830 3.0641 3.0641 4.0714 4.0714 7.5918 7.5918 8.5958 8.5958 9.0866 9.0866 9.9098 9.9098 10.0375 10.0375 11.1662 11.1662 k =-0.5000 0.4313 0.0888 ( 2052 PWs) bands (ev): -11.0095 -11.0095 -8.9563 -8.9563 -8.3873 -8.3873 -8.0387 -8.0387 -7.4653 -7.4653 -4.6416 -4.6416 -2.2874 -2.2874 -1.7051 -1.7051 -1.0030 -1.0030 -0.2014 -0.2014 1.8734 1.8734 2.9829 2.9829 3.0641 3.0641 4.0355 4.0355 7.6885 7.6885 8.6162 8.6162 9.0843 9.0843 9.9100 9.9100 9.9302 9.9302 11.1667 11.1667 k =-0.5000 0.4313 0.0777 ( 2058 PWs) bands (ev): -11.0106 -11.0106 -8.9569 -8.9569 -8.3872 -8.3872 -8.0396 -8.0396 -7.4608 -7.4608 -4.6375 -4.6375 -2.2809 -2.2809 -1.7177 -1.7177 -1.0039 -1.0039 -0.2077 -0.2077 1.8794 1.8794 2.9829 2.9829 3.0640 3.0640 4.0027 4.0027 7.7852 7.7852 8.6347 8.6347 9.0819 9.0819 9.8232 9.8232 9.9107 9.9107 11.1673 11.1673 k =-0.5000 0.4313 0.0666 ( 2054 PWs) bands (ev): -11.0115 -11.0115 -8.9575 -8.9575 -8.3872 -8.3872 -8.0405 -8.0405 -7.4567 -7.4567 -4.6338 -4.6338 -2.2750 -2.2750 -1.7288 -1.7288 -1.0048 -1.0048 -0.2133 -0.2133 1.8851 1.8851 2.9829 2.9829 3.0640 3.0640 3.9733 3.9733 7.8805 7.8805 8.6511 8.6511 9.0799 9.0799 9.7194 9.7194 9.9109 9.9109 11.1678 11.1678 k =-0.5000 0.4313 0.0555 ( 2044 PWs) bands (ev): -11.0123 -11.0123 -8.9580 -8.9580 -8.3871 -8.3871 -8.0412 -8.0412 -7.4530 -7.4530 -4.6307 -4.6307 -2.2698 -2.2698 -1.7384 -1.7384 -1.0055 -1.0055 -0.2180 -0.2180 1.8903 1.8903 2.9829 2.9829 3.0641 3.0641 3.9478 3.9478 7.9725 7.9725 8.6653 8.6653 9.0782 9.0782 9.6202 9.6202 9.9114 9.9114 11.1682 11.1682 k =-0.5000 0.4313 0.0444 ( 2052 PWs) bands (ev): -11.0129 -11.0129 -8.9584 -8.9584 -8.3870 -8.3870 -8.0418 -8.0418 -7.4501 -7.4501 -4.6280 -4.6280 -2.2655 -2.2655 -1.7466 -1.7466 -1.0062 -1.0062 -0.2221 -0.2221 1.8946 1.8946 2.9828 2.9828 3.0640 3.0640 3.9263 3.9263 8.0584 8.0584 8.6770 8.6770 9.0766 9.0766 9.5279 9.5279 9.9116 9.9116 11.1685 11.1685 k =-0.5000 0.4313 0.0333 ( 2050 PWs) bands (ev): -11.0135 -11.0135 -8.9587 -8.9587 -8.3870 -8.3870 -8.0423 -8.0423 -7.4477 -7.4477 -4.6259 -4.6259 -2.2621 -2.2621 -1.7530 -1.7530 -1.0068 -1.0068 -0.2253 -0.2253 1.8982 1.8982 2.9828 2.9828 3.0640 3.0640 3.9094 3.9094 8.1347 8.1347 8.6862 8.6862 9.0753 9.0753 9.4468 9.4468 9.9117 9.9117 11.1688 11.1688 k =-0.5000 0.4313 0.0222 ( 2054 PWs) bands (ev): -11.0138 -11.0138 -8.9590 -8.9590 -8.3870 -8.3870 -8.0426 -8.0426 -7.4460 -7.4460 -4.6244 -4.6244 -2.2596 -2.2596 -1.7576 -1.7576 -1.0073 -1.0073 -0.2277 -0.2277 1.9009 1.9009 2.9827 2.9827 3.0640 3.0640 3.8970 3.8970 8.1962 8.1962 8.6929 8.6929 9.0743 9.0743 9.3818 9.3818 9.9119 9.9119 11.1690 11.1690 k =-0.5000 0.4313 0.0111 ( 2046 PWs) bands (ev): -11.0141 -11.0141 -8.9591 -8.9591 -8.3870 -8.3870 -8.0428 -8.0428 -7.4450 -7.4450 -4.6235 -4.6235 -2.2580 -2.2580 -1.7604 -1.7604 -1.0076 -1.0076 -0.2290 -0.2290 1.9025 1.9025 2.9827 2.9827 3.0640 3.0640 3.8896 3.8896 8.2370 8.2370 8.6970 8.6970 9.0737 9.0737 9.3392 9.3392 9.9120 9.9120 11.1691 11.1691 k =-0.5000 0.4313 0.0000 ( 2046 PWs) bands (ev): -11.0141 -11.0141 -8.9591 -8.9591 -8.3870 -8.3870 -8.0429 -8.0429 -7.4446 -7.4446 -4.6232 -4.6232 -2.2575 -2.2575 -1.7613 -1.7613 -1.0076 -1.0076 -0.2295 -0.2295 1.9031 1.9031 2.9827 2.9827 3.0640 3.0640 3.8871 3.8871 8.2513 8.2513 8.6983 8.6983 9.0735 9.0735 9.3242 9.3242 9.9120 9.9120 11.1691 11.1691 k = 0.0000 0.0000 0.3108 ( 2066 PWs) bands (ev): -13.2293 -13.2293 -10.3897 -10.3897 -6.2591 -6.2591 -6.0338 -6.0338 -4.0419 -4.0419 -3.7722 -3.7722 -2.5847 -2.5847 -1.1874 -1.1874 -0.5962 -0.5962 0.0288 0.0288 0.3992 0.3992 1.1425 1.1425 2.4835 2.4835 4.6222 4.6222 7.2006 7.2006 7.5554 7.5554 7.7173 7.7173 8.1234 8.1234 8.6323 8.6323 8.9717 8.9717 k =-0.0083 0.0072 0.3108 ( 2066 PWs) bands (ev): -13.2284 -13.2284 -10.3889 -10.3889 -6.2610 -6.2610 -6.0351 -6.0351 -4.0543 -4.0543 -3.7613 -3.7613 -2.5878 -2.5878 -1.1846 -1.1846 -0.5963 -0.5963 0.0325 0.0325 0.3995 0.3995 1.1421 1.1421 2.4849 2.4849 4.6184 4.6184 7.2003 7.2003 7.5566 7.5566 7.7157 7.7157 8.1249 8.1249 8.6295 8.6295 8.9741 8.9741 k =-0.0167 0.0144 0.3108 ( 2058 PWs) bands (ev): -13.2256 -13.2256 -10.3867 -10.3867 -6.2667 -6.2667 -6.0389 -6.0389 -4.0868 -4.0868 -3.7331 -3.7331 -2.5970 -2.5970 -1.1759 -1.1759 -0.5967 -0.5967 0.0434 0.0434 0.4005 0.4005 1.1411 1.1411 2.4890 2.4890 4.6071 4.6071 7.1995 7.1995 7.5605 7.5605 7.7111 7.7111 8.1293 8.1293 8.6209 8.6209 8.9812 8.9812 k =-0.0250 0.0216 0.3108 ( 2054 PWs) bands (ev): -13.2209 -13.2209 -10.3831 -10.3831 -6.2762 -6.2762 -6.0453 -6.0453 -4.1319 -4.1319 -3.6953 -3.6953 -2.6122 -2.6122 -1.1617 -1.1617 -0.5973 -0.5973 0.0615 0.0615 0.4020 0.4020 1.1392 1.1392 2.4959 2.4959 4.5885 4.5885 7.1981 7.1981 7.5671 7.5671 7.7036 7.7036 8.1367 8.1367 8.6069 8.6069 8.9927 8.9927 k =-0.0333 0.0288 0.3108 ( 2056 PWs) bands (ev): -13.2144 -13.2144 -10.3780 -10.3780 -6.2893 -6.2893 -6.0543 -6.0543 -4.1846 -4.1846 -3.6527 -3.6527 -2.6330 -2.6330 -1.1420 -1.1420 -0.5983 -0.5983 0.0864 0.0864 0.4038 0.4038 1.1367 1.1367 2.5055 2.5055 4.5628 4.5628 7.1961 7.1961 7.5759 7.5759 7.6932 7.6932 8.1470 8.1470 8.5877 8.5877 9.0088 9.0088 k =-0.0417 0.0359 0.3108 ( 2056 PWs) bands (ev): -13.2060 -13.2060 -10.3714 -10.3714 -6.3059 -6.3059 -6.0657 -6.0657 -4.2421 -4.2421 -3.6081 -3.6081 -2.6592 -2.6592 -1.1170 -1.1170 -0.5998 -0.5998 0.1177 0.1177 0.4060 0.4060 1.1334 1.1334 2.5178 2.5178 4.5305 4.5305 7.1937 7.1937 7.5872 7.5872 7.6800 7.6800 8.1601 8.1601 8.5636 8.5636 9.0291 9.0291 k =-0.0500 0.0431 0.3108 ( 2060 PWs) bands (ev): -13.1957 -13.1957 -10.3634 -10.3634 -6.3259 -6.3259 -6.0796 -6.0796 -4.3033 -4.3033 -3.5627 -3.5627 -2.6902 -2.6902 -1.0869 -1.0869 -0.6018 -0.6018 0.1550 0.1550 0.4084 0.4084 1.1296 1.1296 2.5329 2.5329 4.4918 4.4918 7.1907 7.1907 7.6010 7.6010 7.6644 7.6644 8.1762 8.1762 8.5351 8.5351 9.0535 9.0535 k =-0.0583 0.0503 0.3108 ( 2058 PWs) bands (ev): -13.1836 -13.1836 -10.3539 -10.3539 -6.3492 -6.3492 -6.0957 -6.0957 -4.3672 -4.3672 -3.5170 -3.5170 -2.7257 -2.7257 -1.0519 -1.0519 -0.6045 -0.6045 0.1978 0.1978 0.4108 0.4108 1.1252 1.1252 2.5506 2.5506 4.4475 4.4475 7.1874 7.1874 7.6172 7.6172 7.6467 7.6467 8.1952 8.1952 8.5027 8.5027 9.0819 9.0819 k =-0.0667 0.0575 0.3108 ( 2058 PWs) bands (ev): -13.1697 -13.1697 -10.3431 -10.3431 -6.3755 -6.3755 -6.1141 -6.1141 -4.4337 -4.4337 -3.4714 -3.4714 -2.7652 -2.7652 -1.0122 -1.0122 -0.6081 -0.6081 0.2456 0.2456 0.4129 0.4129 1.1205 1.1205 2.5711 2.5711 4.3980 4.3980 7.1837 7.1837 7.6269 7.6269 7.6360 7.6360 8.2171 8.2171 8.4666 8.4666 9.1139 9.1139 k =-0.0750 0.0647 0.3108 ( 2058 PWs) bands (ev): -13.1539 -13.1539 -10.3308 -10.3308 -6.4047 -6.4047 -6.1347 -6.1347 -4.5022 -4.5022 -3.4261 -3.4261 -2.8081 -2.8081 -0.9684 -0.9684 -0.6127 -0.6127 0.2980 0.2980 0.4147 0.4147 1.1155 1.1155 2.5942 2.5942 4.3440 4.3440 7.1799 7.1799 7.6059 7.6059 7.6569 7.6569 8.2419 8.2419 8.4275 8.4275 9.1494 9.1494 k =-0.0833 0.0719 0.3108 ( 2062 PWs) bands (ev): -13.1363 -13.1363 -10.3171 -10.3171 -6.4364 -6.4364 -6.1573 -6.1573 -4.5729 -4.5729 -3.3811 -3.3811 -2.8540 -2.8540 -0.9205 -0.9205 -0.6184 -0.6184 0.3545 0.3545 0.4157 0.4157 1.1104 1.1104 2.6198 2.6198 4.2859 4.2859 7.1761 7.1761 7.5836 7.5836 7.6803 7.6803 8.2696 8.2696 8.3858 8.3858 9.1879 9.1879 k =-0.0917 0.0791 0.3108 ( 2060 PWs) bands (ev): -13.1168 -13.1168 -10.3020 -10.3020 -6.4706 -6.4706 -6.1818 -6.1818 -4.6453 -4.6453 -3.3365 -3.3365 -2.9025 -2.9025 -0.8692 -0.8692 -0.6256 -0.6256 0.4143 0.4143 0.4160 0.4160 1.1054 1.1054 2.6481 2.6481 4.2244 4.2244 7.1725 7.1725 7.5608 7.5608 7.7060 7.7060 8.3001 8.3001 8.3420 8.3420 9.2294 9.2294 k =-0.1000 0.0863 0.3108 ( 2060 PWs) bands (ev): -13.0956 -13.0956 -10.2856 -10.2856 -6.5070 -6.5070 -6.2080 -6.2080 -4.7195 -4.7195 -3.2921 -3.2921 -2.9532 -2.9532 -0.8146 -0.8146 -0.6342 -0.6342 0.4147 0.4147 0.4776 0.4776 1.1006 1.1006 2.6788 2.6788 4.1601 4.1601 7.1693 7.1693 7.5378 7.5378 7.7339 7.7339 8.2963 8.2963 8.3334 8.3334 9.2733 9.2733 k =-0.1083 0.0934 0.3108 ( 2062 PWs) bands (ev): -13.0725 -13.0725 -10.2678 -10.2678 -6.5453 -6.5453 -6.2360 -6.2360 -4.7955 -4.7955 -3.2480 -3.2480 -3.0058 -3.0058 -0.7575 -0.7575 -0.6445 -0.6445 0.4121 0.4121 0.5434 0.5434 1.0962 1.0962 2.7120 2.7120 4.0937 4.0937 7.1666 7.1666 7.5150 7.5150 7.7640 7.7640 8.2490 8.2490 8.3694 8.3694 9.3196 9.3196 k =-0.1167 0.1006 0.3108 ( 2058 PWs) bands (ev): -13.0476 -13.0476 -10.2487 -10.2487 -6.5853 -6.5853 -6.2655 -6.2655 -4.8730 -4.8730 -3.2040 -3.2040 -3.0597 -3.0597 -0.6980 -0.6980 -0.6567 -0.6567 0.4078 0.4078 0.6116 0.6116 1.0926 1.0926 2.7475 2.7475 4.0254 4.0254 7.1648 7.1648 7.4931 7.4931 7.7963 7.7963 8.2007 8.2007 8.4083 8.4083 9.3680 9.3680 k =-0.1250 0.1078 0.3108 ( 2058 PWs) bands (ev): -13.0210 -13.0210 -10.2283 -10.2283 -6.6268 -6.6268 -6.2965 -6.2965 -4.9520 -4.9520 -3.1603 -3.1603 -3.1148 -3.1148 -0.6710 -0.6710 -0.6369 -0.6369 0.4016 0.4016 0.6817 0.6817 1.0901 1.0901 2.7854 2.7854 3.9559 3.9559 7.1640 7.1640 7.4723 7.4723 7.8306 7.8306 8.1514 8.1514 8.4499 8.4499 9.4181 9.4181 k =-0.1333 0.1150 0.3108 ( 2050 PWs) bands (ev): -12.9926 -12.9926 -10.2066 -10.2066 -6.6696 -6.6696 -6.3286 -6.3286 -5.0324 -5.0324 -3.1707 -3.1707 -3.1166 -3.1166 -0.6875 -0.6875 -0.5745 -0.5745 0.3931 0.3931 0.7537 0.7537 1.0890 1.0890 2.8254 2.8254 3.8855 3.8855 7.1646 7.1646 7.4533 7.4533 7.8671 7.8671 8.1014 8.1014 8.4943 8.4943 9.4696 9.4696 k =-0.1417 0.1222 0.3108 ( 2054 PWs) bands (ev): -12.9625 -12.9625 -10.1836 -10.1836 -6.7135 -6.7135 -6.3620 -6.3620 -5.1143 -5.1143 -3.2272 -3.2272 -3.0729 -3.0729 -0.7062 -0.7062 -0.5119 -0.5119 0.3822 0.3822 0.8268 0.8268 1.0896 1.0896 2.8674 2.8674 3.8147 3.8147 7.1665 7.1665 7.4365 7.4365 7.9055 7.9055 8.0508 8.0508 8.5412 8.5412 9.5225 9.5225 k =-0.1500 0.1294 0.3108 ( 2050 PWs) bands (ev): -12.9306 -12.9306 -10.1595 -10.1595 -6.7583 -6.7583 -6.3964 -6.3964 -5.1974 -5.1974 -3.2841 -3.2841 -3.0293 -3.0293 -0.7274 -0.7274 -0.4493 -0.4493 0.3688 0.3688 0.9009 0.9009 1.0926 1.0926 2.9115 2.9115 3.7439 3.7439 7.1702 7.1702 7.4222 7.4222 7.9457 7.9457 7.9999 7.9999 8.5907 8.5907 9.5765 9.5765 k =-0.1583 0.1366 0.3108 ( 2042 PWs) bands (ev): -12.8971 -12.8971 -10.1341 -10.1341 -6.8038 -6.8038 -6.4317 -6.4317 -5.2818 -5.2818 -3.3412 -3.3412 -2.9856 -2.9856 -0.7510 -0.7510 -0.3876 -0.3876 0.3527 0.3527 0.9761 0.9761 1.0984 1.0984 2.9573 2.9573 3.6733 3.6733 7.1757 7.1757 7.4110 7.4110 7.9488 7.9488 7.9879 7.9879 8.6430 8.6430 9.6315 9.6315 k =-0.1667 0.1438 0.3108 ( 2044 PWs) bands (ev): -12.8618 -12.8618 -10.1076 -10.1076 -6.8499 -6.8499 -6.4678 -6.4678 -5.3673 -5.3673 -3.3982 -3.3982 -2.9418 -2.9418 -0.7772 -0.7772 -0.3275 -0.3275 0.3338 0.3338 1.0515 1.0515 1.1074 1.1074 3.0047 3.0047 3.6033 3.6033 7.1832 7.1832 7.4032 7.4032 7.8976 7.8976 8.0318 8.0318 8.6976 8.6976 9.6871 9.6871 k =-0.1750 0.1509 0.3108 ( 2044 PWs) bands (ev): -12.8249 -12.8249 -10.0800 -10.0800 -6.8963 -6.8963 -6.5045 -6.5045 -5.4539 -5.4539 -3.4550 -3.4550 -2.8978 -2.8978 -0.8061 -0.8061 -0.2697 -0.2697 0.3119 0.3119 1.1200 1.1200 1.1277 1.1277 3.0537 3.0537 3.5340 3.5340 7.1929 7.1929 7.3990 7.3990 7.8463 7.8463 8.0774 8.0774 8.7546 8.7546 9.7433 9.7433 k =-0.1833 0.1581 0.3108 ( 2038 PWs) bands (ev): -12.7864 -12.7864 -10.0511 -10.0511 -6.9429 -6.9429 -6.5418 -6.5418 -5.5415 -5.5415 -3.5115 -3.5115 -2.8536 -2.8536 -0.8376 -0.8376 -0.2151 -0.2151 0.2873 0.2873 1.1376 1.1376 1.2035 1.2035 3.1041 3.1041 3.4656 3.4656 7.2049 7.2049 7.3989 7.3989 7.7953 7.7953 8.1247 8.1247 8.8141 8.8141 9.8000 9.8000 k =-0.1917 0.1653 0.3108 ( 2046 PWs) bands (ev): -12.7463 -12.7463 -10.0214 -10.0214 -6.9897 -6.9897 -6.5796 -6.5796 -5.6301 -5.6301 -3.5676 -3.5676 -2.8093 -2.8093 -0.8717 -0.8717 -0.1643 -0.1643 0.2597 0.2597 1.1599 1.1599 1.2794 1.2794 3.1556 3.1556 3.3982 3.3982 7.2192 7.2192 7.4030 7.4030 7.7443 7.7443 8.1734 8.1734 8.8757 8.8757 9.8568 9.8568 k =-0.2000 0.1725 0.3108 ( 2046 PWs) bands (ev): -12.7045 -12.7045 -9.9907 -9.9907 -7.0363 -7.0363 -6.6176 -6.6176 -5.7196 -5.7196 -3.6230 -3.6230 -2.7647 -2.7647 -0.9083 -0.9083 -0.1180 -0.1180 0.2293 0.2293 1.1877 1.1877 1.3551 1.3551 3.2081 3.2081 3.3319 3.3319 7.2359 7.2359 7.4115 7.4115 7.6936 7.6936 8.2238 8.2238 8.9397 8.9397 9.9139 9.9139 k =-0.2083 0.1797 0.3108 ( 2046 PWs) bands (ev): -12.6613 -12.6613 -9.9590 -9.9590 -7.0828 -7.0828 -6.6558 -6.6558 -5.8098 -5.8098 -3.6777 -3.6777 -2.7200 -2.7200 -0.9475 -0.9475 -0.0766 -0.0766 0.1963 0.1963 1.2213 1.2213 1.4304 1.4304 3.2616 3.2616 3.2668 3.2668 7.2550 7.2550 7.4246 7.4246 7.6433 7.6433 8.2755 8.2755 9.0058 9.0058 9.9708 9.9708 k =-0.2167 0.1869 0.3108 ( 2050 PWs) bands (ev): -12.6165 -12.6165 -9.9264 -9.9264 -7.1289 -7.1289 -6.6942 -6.6942 -5.9008 -5.9008 -3.7317 -3.7317 -2.6749 -2.6749 -0.9890 -0.9890 -0.0406 -0.0406 0.1607 0.1607 1.2609 1.2609 1.5052 1.5052 3.2028 3.2028 3.3159 3.3159 7.2765 7.2765 7.4423 7.4423 7.5934 7.5934 8.3285 8.3285 9.0738 9.0738 10.0278 10.0278 k =-0.2250 0.1941 0.3108 ( 2050 PWs) bands (ev): -12.5702 -12.5702 -9.8930 -9.8930 -7.1745 -7.1745 -6.7326 -6.7326 -5.9924 -5.9924 -3.7846 -3.7846 -2.6297 -2.6297 -1.0329 -1.0329 -0.0101 -0.0101 0.1228 0.1228 1.3065 1.3065 1.5793 1.5793 3.1400 3.1400 3.3707 3.3707 7.3003 7.3003 7.4644 7.4644 7.5444 7.5444 8.3828 8.3828 9.1438 9.1438 10.0847 10.0847 k =-0.2333 0.2013 0.3108 ( 2050 PWs) bands (ev): -12.5226 -12.5226 -9.8589 -9.8589 -7.2196 -7.2196 -6.7708 -6.7708 -6.0845 -6.0845 -3.8366 -3.8366 -2.5842 -2.5842 -1.0789 -1.0789 0.0150 0.0150 0.0828 0.0828 1.3577 1.3577 1.6525 1.6525 3.0783 3.0783 3.4260 3.4260 7.3264 7.3264 7.4836 7.4836 7.5034 7.5034 8.4383 8.4383 9.2156 9.2156 10.1413 10.1413 k =-0.2417 0.2085 0.3108 ( 2050 PWs) bands (ev): -12.4735 -12.4735 -9.8240 -9.8240 -7.2641 -7.2641 -6.8089 -6.8089 -6.1771 -6.1771 -3.8875 -3.8875 -2.5385 -2.5385 -1.1269 -1.1269 0.0348 0.0348 0.0408 0.0408 1.4143 1.4143 1.7248 1.7248 3.0177 3.0177 3.4815 3.4815 7.3546 7.3546 7.4442 7.4442 7.5263 7.5263 8.4948 8.4948 9.2891 9.2891 10.1975 10.1975 k =-0.2500 0.2156 0.3108 ( 2042 PWs) bands (ev): -12.4231 -12.4231 -9.7883 -9.7883 -7.3078 -7.3078 -6.8468 -6.8468 -6.2701 -6.2701 -3.9373 -3.9373 -2.4925 -2.4925 -1.1767 -1.1767 -0.0029 -0.0029 0.0501 0.0501 1.4756 1.4756 1.7960 1.7960 2.9582 2.9582 3.5373 3.5373 7.3850 7.3850 7.3970 7.3970 7.5625 7.5625 8.5523 8.5523 9.3642 9.3642 10.2534 10.2534 k =-0.2583 0.2228 0.3108 ( 2042 PWs) bands (ev): -12.3714 -12.3714 -9.7522 -9.7522 -7.3507 -7.3507 -6.8844 -6.8844 -6.3634 -6.3634 -3.9859 -3.9859 -2.4464 -2.4464 -1.2282 -1.2282 -0.0479 -0.0479 0.0610 0.0610 1.5411 1.5411 1.8660 1.8660 2.8995 2.8995 3.5932 3.5932 7.3498 7.3498 7.4171 7.4171 7.6035 7.6035 8.6106 8.6106 9.4406 9.4406 10.3088 10.3088 k =-0.2667 0.2300 0.3108 ( 2042 PWs) bands (ev): -12.3185 -12.3185 -9.7156 -9.7156 -7.3928 -7.3928 -6.9215 -6.9215 -6.4569 -6.4569 -4.0333 -4.0333 -2.4002 -2.4002 -1.2812 -1.2812 -0.0941 -0.0941 0.0680 0.0680 1.6100 1.6100 1.9346 1.9346 2.8418 2.8418 3.6489 3.6489 7.3033 7.3033 7.4508 7.4508 7.6489 7.6489 8.6697 8.6697 9.5182 9.5182 10.3636 10.3636 k =-0.2750 0.2372 0.3108 ( 2046 PWs) bands (ev): -12.2644 -12.2644 -9.6785 -9.6785 -7.4338 -7.4338 -6.9582 -6.9582 -6.5506 -6.5506 -4.0793 -4.0793 -2.3539 -2.3539 -1.3355 -1.3355 -0.1411 -0.1411 0.0717 0.0717 1.6817 1.6817 2.0018 2.0018 2.7849 2.7849 3.7044 3.7044 7.2576 7.2576 7.4860 7.4860 7.6984 7.6984 8.7294 8.7294 9.5968 9.5968 10.4178 10.4178 k =-0.2833 0.2444 0.3108 ( 2046 PWs) bands (ev): -12.2093 -12.2093 -9.6411 -9.6411 -7.4739 -7.4739 -6.9943 -6.9943 -6.6442 -6.6442 -4.1241 -4.1241 -2.3076 -2.3076 -1.3907 -1.3907 -0.1887 -0.1887 0.0726 0.0726 1.7554 1.7554 2.0674 2.0674 2.7290 2.7290 3.7596 3.7596 7.2125 7.2125 7.5225 7.5225 7.7518 7.7518 8.7897 8.7897 9.6763 9.6763 10.4713 10.4713 k =-0.2917 0.2516 0.3108 ( 2044 PWs) bands (ev): -12.1532 -12.1532 -9.6035 -9.6035 -7.5128 -7.5128 -7.0298 -7.0298 -6.7377 -6.7377 -4.1674 -4.1674 -2.2613 -2.2613 -1.4467 -1.4467 -0.2366 -0.2366 0.0712 0.0712 1.8307 1.8307 2.1314 2.1314 2.6738 2.6738 3.8144 3.8144 7.1684 7.1684 7.5599 7.5599 7.8088 7.8088 8.8503 8.8503 9.7565 9.7565 10.5241 10.5241 k =-0.3000 0.2588 0.3108 ( 2036 PWs) bands (ev): -12.0961 -12.0961 -9.5657 -9.5657 -7.5506 -7.5506 -7.0647 -7.0647 -6.8309 -6.8309 -4.2092 -4.2092 -2.2150 -2.2150 -1.5033 -1.5033 -0.2846 -0.2846 0.0678 0.0678 1.9070 1.9070 2.1937 2.1937 2.6196 2.6196 3.8687 3.8687 7.1251 7.1251 7.5982 7.5982 7.8690 7.8690 8.9112 8.9112 9.8371 9.8371 10.5760 10.5760 k =-0.3083 0.2660 0.3108 ( 2044 PWs) bands (ev): -12.0382 -12.0382 -9.5278 -9.5278 -7.5872 -7.5872 -7.0989 -7.0989 -6.9239 -6.9239 -4.2496 -4.2496 -2.1690 -2.1690 -1.5602 -1.5602 -0.3325 -0.3325 0.0629 0.0629 1.9833 1.9833 2.2545 2.2545 2.5660 2.5660 3.9224 3.9224 7.0827 7.0827 7.6369 7.6369 7.9319 7.9319 8.9719 8.9719 9.9180 9.9180 10.6270 10.6270 k =-0.3167 0.2731 0.3108 ( 2046 PWs) bands (ev): -11.9797 -11.9797 -9.4900 -9.4900 -7.6226 -7.6226 -7.1323 -7.1323 -7.0163 -7.0163 -4.2886 -4.2886 -2.1232 -2.1232 -1.6172 -1.6172 -0.3799 -0.3799 0.0566 0.0566 2.0597 2.0597 2.3130 2.3130 2.5134 2.5134 3.9753 3.9753 7.0413 7.0413 7.6759 7.6759 7.9974 7.9974 9.0327 9.0327 9.9988 9.9988 10.6771 10.6771 k =-0.3250 0.2803 0.3108 ( 2046 PWs) bands (ev): -11.9205 -11.9205 -9.4523 -9.4523 -7.6566 -7.6566 -7.1648 -7.1648 -7.1080 -7.1080 -4.3259 -4.3259 -2.0777 -2.0777 -1.6739 -1.6739 -0.4266 -0.4266 0.0494 0.0494 2.1354 2.1354 2.3695 2.3695 2.4616 2.4616 4.0274 4.0274 7.0009 7.0009 7.7148 7.7148 8.0649 8.0649 9.0932 9.0932 10.0793 10.0793 10.7261 10.7261 k =-0.3333 0.2875 0.3108 ( 2050 PWs) bands (ev): -11.8608 -11.8608 -9.4148 -9.4148 -7.6893 -7.6893 -7.1989 -7.1989 -7.1965 -7.1965 -4.3617 -4.3617 -2.0326 -2.0326 -1.7301 -1.7301 -0.4725 -0.4725 0.0414 0.0414 2.2101 2.2101 2.4105 2.4105 2.4242 2.4242 4.0785 4.0785 6.9616 6.9616 7.7535 7.7535 8.1341 8.1341 9.1533 9.1533 10.1593 10.1593 10.7741 10.7741 k =-0.3417 0.2947 0.3108 ( 2050 PWs) bands (ev): -11.8009 -11.8009 -9.3778 -9.3778 -7.7207 -7.7207 -7.2888 -7.2888 -7.2272 -7.2272 -4.3959 -4.3959 -1.9881 -1.9881 -1.7856 -1.7856 -0.5174 -0.5174 0.0329 0.0329 2.2834 2.2834 2.3610 2.3610 2.4763 2.4763 4.1286 4.1286 6.9234 6.9234 7.7917 7.7917 8.2044 8.2044 9.2127 9.2127 10.2385 10.2385 10.8208 10.8208 k =-0.3500 0.3019 0.3108 ( 2054 PWs) bands (ev): -11.7408 -11.7408 -9.3413 -9.3413 -7.7506 -7.7506 -7.3776 -7.3776 -7.2570 -7.2570 -4.4285 -4.4285 -1.9443 -1.9443 -1.8402 -1.8402 -0.5610 -0.5610 0.0240 0.0240 2.3124 2.3124 2.3550 2.3550 2.5264 2.5264 4.1776 4.1776 6.8864 6.8864 7.8292 7.8292 8.2755 8.2755 9.2714 9.2714 10.3166 10.3166 10.8660 10.8660 k =-0.3583 0.3091 0.3108 ( 2056 PWs) bands (ev): -11.6807 -11.6807 -9.3054 -9.3054 -7.7790 -7.7790 -7.4649 -7.4649 -7.2857 -7.2857 -4.4595 -4.4595 -1.9013 -1.9013 -1.8935 -1.8935 -0.6033 -0.6033 0.0150 0.0150 2.2649 2.2649 2.4245 2.4245 2.5742 2.5742 4.2252 4.2252 6.8505 6.8505 7.8656 7.8656 8.3467 8.3467 9.3289 9.3289 10.3933 10.3933 10.9100 10.9100 k =-0.3667 0.3163 0.3108 ( 2052 PWs) bands (ev): -11.6209 -11.6209 -9.2703 -9.2703 -7.8060 -7.8060 -7.5506 -7.5506 -7.3133 -7.3133 -4.4887 -4.4887 -1.9455 -1.9455 -1.8591 -1.8591 -0.6440 -0.6440 0.0060 0.0060 2.2189 2.2189 2.4917 2.4917 2.6197 2.6197 4.2715 4.2715 6.8160 6.8160 7.9010 7.9010 8.4177 8.4177 9.3852 9.3852 10.4683 10.4683 10.9525 10.9525 k =-0.3750 0.3235 0.3108 ( 2040 PWs) bands (ev): -11.5616 -11.5616 -9.2361 -9.2361 -7.8314 -7.8314 -7.6343 -7.6343 -7.3398 -7.3398 -4.5163 -4.5163 -1.9955 -1.9955 -1.8180 -1.8180 -0.6831 -0.6831 -0.0030 -0.0030 2.1744 2.1744 2.5563 2.5563 2.6628 2.6628 4.3163 4.3163 6.7829 6.7829 7.9350 7.9350 8.4880 8.4880 9.4399 9.4399 10.5412 10.5412 10.9934 10.9934 k =-0.3833 0.3306 0.3108 ( 2044 PWs) bands (ev): -11.5030 -11.5030 -9.2030 -9.2030 -7.8554 -7.8554 -7.7159 -7.7159 -7.3650 -7.3650 -4.5422 -4.5422 -2.0438 -2.0438 -1.7781 -1.7781 -0.7204 -0.7204 -0.0118 -0.0118 2.1315 2.1315 2.6178 2.6178 2.7033 2.7033 4.3593 4.3593 6.7511 6.7511 7.9675 7.9675 8.5569 8.5569 9.4928 9.4928 10.6116 10.6116 11.0324 11.0324 k =-0.3917 0.3378 0.3108 ( 2040 PWs) bands (ev): -11.4455 -11.4455 -9.1712 -9.1712 -7.8778 -7.8778 -7.7949 -7.7949 -7.3890 -7.3890 -4.5664 -4.5664 -2.0897 -2.0897 -1.7397 -1.7397 -0.7558 -0.7558 -0.0203 -0.0203 2.0904 2.0904 2.6763 2.6763 2.7412 2.7412 4.4005 4.4005 6.7209 6.7209 7.9983 7.9983 8.6241 8.6241 9.5437 9.5437 10.6793 10.6793 11.0696 11.0696 k =-0.4000 0.3450 0.3108 ( 2036 PWs) bands (ev): -11.3894 -11.3894 -9.1407 -9.1407 -7.8986 -7.8986 -7.8711 -7.8711 -7.4117 -7.4117 -4.5888 -4.5888 -2.1334 -2.1334 -1.7027 -1.7027 -0.7892 -0.7892 -0.0284 -0.0284 2.0513 2.0513 2.7313 2.7313 2.7766 2.7766 4.4397 4.4397 6.6923 6.6923 8.0273 8.0273 8.6890 8.6890 9.5923 9.5923 10.7439 10.7439 11.1047 11.1047 k =-0.4083 0.3522 0.3108 ( 2038 PWs) bands (ev): -11.3350 -11.3350 -9.1119 -9.1119 -7.9440 -7.9440 -7.9179 -7.9179 -7.4330 -7.4330 -4.6095 -4.6095 -2.1744 -2.1744 -1.6676 -1.6676 -0.8206 -0.8206 -0.0362 -0.0362 2.0144 2.0144 2.7826 2.7826 2.8093 2.8093 4.4766 4.4766 6.6654 6.6654 8.0543 8.0543 8.7510 8.7510 9.6382 9.6382 10.8050 10.8050 11.1378 11.1378 k =-0.4167 0.3594 0.3108 ( 2038 PWs) bands (ev): -11.2828 -11.2828 -9.0847 -9.0847 -8.0132 -8.0132 -7.9355 -7.9355 -7.4528 -7.4528 -4.6285 -4.6285 -2.2126 -2.2126 -1.6343 -1.6343 -0.8498 -0.8498 -0.0434 -0.0434 1.9798 1.9798 2.8301 2.8301 2.8394 2.8394 4.5113 4.5113 6.6402 6.6402 8.0792 8.0792 8.8095 8.8095 9.6814 9.6814 10.8623 10.8623 11.1684 11.1684 k =-0.4250 0.3666 0.3108 ( 2038 PWs) bands (ev): -11.2332 -11.2332 -9.0595 -9.0595 -8.0782 -8.0782 -7.9514 -7.9514 -7.4711 -7.4711 -4.6456 -4.6456 -2.2478 -2.2478 -1.6032 -1.6032 -0.8767 -0.8767 -0.0501 -0.0501 1.9478 1.9478 2.8667 2.8667 2.8737 2.8737 4.5434 4.5434 6.6170 6.6170 8.1020 8.1020 8.8640 8.8640 9.7214 9.7214 10.9154 10.9154 11.1966 11.1966 k =-0.4333 0.3738 0.3108 ( 2042 PWs) bands (ev): -11.1868 -11.1868 -9.0364 -9.0364 -8.1385 -8.1385 -7.9658 -7.9658 -7.4877 -7.4877 -4.6610 -4.6610 -2.2798 -2.2798 -1.5744 -1.5744 -0.9013 -0.9013 -0.0563 -0.0563 1.9185 1.9185 2.8912 2.8912 2.9130 2.9130 4.5727 4.5727 6.5958 6.5958 8.1225 8.1225 8.9143 8.9143 9.7579 9.7579 10.9639 10.9639 11.2223 11.2223 k =-0.4417 0.3810 0.3108 ( 2042 PWs) bands (ev): -11.1439 -11.1439 -9.0154 -9.0154 -8.1937 -8.1937 -7.9784 -7.9784 -7.5027 -7.5027 -4.6746 -4.6746 -2.3084 -2.3084 -1.5482 -1.5482 -0.9234 -0.9234 -0.0617 -0.0617 1.8921 1.8921 2.9130 2.9130 2.9482 2.9482 4.5992 4.5992 6.5766 6.5766 8.1408 8.1408 8.9598 8.9598 9.7909 9.7909 11.0078 11.0078 11.2451 11.2451 k =-0.4500 0.3882 0.3108 ( 2046 PWs) bands (ev): -11.1052 -11.1052 -8.9969 -8.9969 -8.2430 -8.2430 -7.9894 -7.9894 -7.5159 -7.5159 -4.6864 -4.6864 -2.3335 -2.3335 -1.5247 -1.5247 -0.9430 -0.9430 -0.0666 -0.0666 1.8689 1.8689 2.9319 2.9319 2.9789 2.9789 4.6225 4.6225 6.5598 6.5598 8.1568 8.1568 9.0001 9.0001 9.8200 9.8200 11.0464 11.0464 11.2653 11.2653 k =-0.4583 0.3953 0.3108 ( 2058 PWs) bands (ev): -11.0713 -11.0713 -8.9810 -8.9810 -8.2861 -8.2861 -7.9988 -7.9988 -7.5272 -7.5272 -4.6964 -4.6964 -2.3551 -2.3551 -1.5042 -1.5042 -0.9600 -0.9600 -0.0708 -0.0708 1.8488 1.8488 2.9479 2.9479 3.0050 3.0050 4.6426 4.6426 6.5453 6.5453 8.1702 8.1702 9.0348 9.0348 9.8450 9.8450 11.0793 11.0793 11.2824 11.2824 k =-0.4667 0.4025 0.3108 ( 2062 PWs) bands (ev): -11.0426 -11.0426 -8.9677 -8.9677 -8.3222 -8.3222 -8.0064 -8.0064 -7.5366 -7.5366 -4.7046 -4.7046 -2.3729 -2.3729 -1.4870 -1.4870 -0.9742 -0.9742 -0.0742 -0.0742 1.8322 1.8322 2.9610 2.9610 3.0265 3.0265 4.6593 4.6593 6.5332 6.5332 8.1814 8.1814 9.0637 9.0637 9.8657 9.8657 11.1067 11.1067 11.2966 11.2966 k =-0.4750 0.4097 0.3108 ( 2060 PWs) bands (ev): -11.0197 -11.0197 -8.9573 -8.9573 -8.3509 -8.3509 -8.0124 -8.0124 -7.5439 -7.5439 -4.7110 -4.7110 -2.3867 -2.3867 -1.4733 -1.4733 -0.9855 -0.9855 -0.0769 -0.0769 1.8192 1.8192 2.9713 2.9713 3.0434 3.0434 4.6724 4.6724 6.5238 6.5238 8.1900 8.1900 9.0865 9.0865 9.8820 9.8820 11.1283 11.1283 11.3080 11.3080 k =-0.4833 0.4169 0.3108 ( 2068 PWs) bands (ev): -11.0030 -11.0030 -8.9498 -8.9498 -8.3718 -8.3718 -8.0166 -8.0166 -7.5492 -7.5492 -4.7156 -4.7156 -2.3967 -2.3967 -1.4633 -1.4633 -0.9937 -0.9937 -0.0788 -0.0788 1.8097 1.8097 2.9785 2.9785 3.0554 3.0554 4.6819 4.6819 6.5170 6.5170 8.1962 8.1962 9.1029 9.1029 9.8937 9.8937 11.1436 11.1436 11.3160 11.3160 k =-0.4917 0.4241 0.3108 ( 2068 PWs) bands (ev): -10.9928 -10.9928 -8.9452 -8.9452 -8.3844 -8.3844 -8.0192 -8.0192 -7.5524 -7.5524 -4.7183 -4.7183 -2.4027 -2.4027 -1.4572 -1.4572 -0.9987 -0.9987 -0.0800 -0.0800 1.8041 1.8041 2.9829 2.9829 3.0627 3.0627 4.6876 4.6876 6.5129 6.5129 8.1999 8.1999 9.1128 9.1128 9.9008 9.9008 11.1530 11.1530 11.3208 11.3208 k =-0.5000 0.4313 0.3108 ( 2072 PWs) bands (ev): -10.9895 -10.9895 -8.9437 -8.9437 -8.3887 -8.3887 -8.0200 -8.0200 -7.5535 -7.5535 -4.7192 -4.7192 -2.4047 -2.4047 -1.4552 -1.4552 -1.0004 -1.0004 -0.0804 -0.0804 1.8022 1.8022 2.9844 2.9844 3.0651 3.0651 4.6895 4.6895 6.5115 6.5115 8.2011 8.2011 9.1161 9.1161 9.9032 9.9032 11.1561 11.1561 11.3224 11.3224 Writing output data file C.save init_run : 0.07s CPU 0.47s WALL ( 1 calls) electrons : 68.27s CPU 71.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.00s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 68.27s CPU 71.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 462 calls) cegterg : 59.09s CPU 60.42s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 38.55s CPU 39.79s WALL ( 4905 calls) s_psi : 1.50s CPU 1.68s WALL ( 4905 calls) g_psi : 0.08s CPU 0.09s WALL ( 3981 calls) cdiaghg : 20.66s CPU 20.87s WALL ( 4443 calls) cegterg:over : 2.16s CPU 2.34s WALL ( 3981 calls) cegterg:upda : 1.41s CPU 1.42s WALL ( 3981 calls) cegterg:last : 1.35s CPU 1.22s WALL ( 1386 calls) cdiaghg:chol : 0.99s CPU 1.11s WALL ( 4443 calls) cdiaghg:inve : 0.51s CPU 0.56s WALL ( 4443 calls) cdiaghg:para : 1.22s CPU 1.26s WALL ( 8886 calls) Called by h_psi: h_psi:vloc : 34.12s CPU 35.34s WALL ( 4905 calls) h_psi:vnl : 4.38s CPU 4.39s WALL ( 4905 calls) add_vuspsi : 1.80s CPU 1.82s WALL ( 4905 calls) General routines calbec : 2.57s CPU 2.56s WALL ( 4905 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.02s CPU 33.24s WALL ( 687776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 924 calls) Parallel routines fft_scatter : 14.15s CPU 14.64s WALL ( 687799 calls) PWSCF : 1m20.23s CPU 1m46.62s WALL This run was terminated on: 17:14:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=