Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:59:52 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: ./Ga.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 22 16 5 438 267 49 Max 23 17 6 441 283 52 Sum 801 591 189 15841 9975 1795 bravais-lattice index = 14 lattice parameter (alat) = 8.1558 a.u. unit-cell volume = 252.1821 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.155810 celldm(2)= 1.000000 celldm(3)= 0.734499 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.774249 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.774249 0.632881 0.000000 ) a(3) = ( 0.000000 0.000000 0.734499 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.223372 -0.000000 ) b(2) = ( 0.000000 1.580076 -0.000000 ) b(3) = ( 0.000000 0.000000 1.361473 ) PseudoPot. # 1 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ga 13.00 69.72300 Ga( 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3672493 ) 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 =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3672493 ) 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= 552 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 2) = ( 0.0045453 0.0127425 -0.0000000), wk = 0.0018116 k( 3) = ( 0.0090906 0.0254851 -0.0000000), wk = 0.0018116 k( 4) = ( 0.0136359 0.0382277 -0.0000000), wk = 0.0018116 k( 5) = ( 0.0181812 0.0509702 -0.0000000), wk = 0.0018116 k( 6) = ( 0.0227266 0.0637127 -0.0000000), wk = 0.0018116 k( 7) = ( 0.0272719 0.0764553 -0.0000000), wk = 0.0018116 k( 8) = ( 0.0318172 0.0891978 -0.0000000), wk = 0.0018116 k( 9) = ( 0.0363625 0.1019404 -0.0000000), wk = 0.0018116 k( 10) = ( 0.0409078 0.1146829 -0.0000000), wk = 0.0018116 k( 11) = ( 0.0454531 0.1274255 -0.0000000), wk = 0.0018116 k( 12) = ( 0.0499984 0.1401680 -0.0000000), wk = 0.0018116 k( 13) = ( 0.0545438 0.1529106 -0.0000000), wk = 0.0018116 k( 14) = ( 0.0590891 0.1656531 -0.0000000), wk = 0.0018116 k( 15) = ( 0.0636344 0.1783957 -0.0000000), wk = 0.0018116 k( 16) = ( 0.0681797 0.1911382 -0.0000000), wk = 0.0018116 k( 17) = ( 0.0727250 0.2038808 -0.0000000), wk = 0.0018116 k( 18) = ( 0.0772703 0.2166233 -0.0000000), wk = 0.0018116 k( 19) = ( 0.0818156 0.2293659 -0.0000000), wk = 0.0018116 k( 20) = ( 0.0863609 0.2421084 -0.0000000), wk = 0.0018116 k( 21) = ( 0.0909062 0.2548509 -0.0000000), wk = 0.0018116 k( 22) = ( 0.0954516 0.2675935 -0.0000000), wk = 0.0018116 k( 23) = ( 0.0999969 0.2803361 -0.0000000), wk = 0.0018116 k( 24) = ( 0.1045422 0.2930786 -0.0000000), wk = 0.0018116 k( 25) = ( 0.1090875 0.3058211 -0.0000000), wk = 0.0018116 k( 26) = ( 0.1136328 0.3185637 -0.0000000), wk = 0.0018116 k( 27) = ( 0.1181781 0.3313062 -0.0000000), wk = 0.0018116 k( 28) = ( 0.1227234 0.3440488 -0.0000000), wk = 0.0018116 k( 29) = ( 0.1272687 0.3567913 -0.0000000), wk = 0.0018116 k( 30) = ( 0.1318140 0.3695339 -0.0000000), wk = 0.0018116 k( 31) = ( 0.1363594 0.3822764 -0.0000000), wk = 0.0018116 k( 32) = ( 0.1409047 0.3950190 -0.0000000), wk = 0.0018116 k( 33) = ( 0.1454500 0.4077615 -0.0000000), wk = 0.0018116 k( 34) = ( 0.1499953 0.4205041 -0.0000000), wk = 0.0018116 k( 35) = ( 0.1545406 0.4332466 -0.0000000), wk = 0.0018116 k( 36) = ( 0.1590859 0.4459892 -0.0000000), wk = 0.0018116 k( 37) = ( 0.1636312 0.4587317 -0.0000000), wk = 0.0018116 k( 38) = ( 0.1681766 0.4714743 -0.0000000), wk = 0.0018116 k( 39) = ( 0.1727219 0.4842168 -0.0000000), wk = 0.0018116 k( 40) = ( 0.1772672 0.4969594 -0.0000000), wk = 0.0018116 k( 41) = ( 0.1818125 0.5097019 -0.0000000), wk = 0.0018116 k( 42) = ( 0.1863578 0.5224445 -0.0000000), wk = 0.0018116 k( 43) = ( 0.1909031 0.5351870 -0.0000000), wk = 0.0018116 k( 44) = ( 0.1954484 0.5479296 -0.0000000), wk = 0.0018116 k( 45) = ( 0.1999937 0.5606721 -0.0000000), wk = 0.0018116 k( 46) = ( 0.2045391 0.5734146 -0.0000000), wk = 0.0018116 k( 47) = ( 0.2090844 0.5861572 -0.0000000), wk = 0.0018116 k( 48) = ( 0.2136297 0.5988998 -0.0000000), wk = 0.0018116 k( 49) = ( 0.2181750 0.6116423 -0.0000000), wk = 0.0018116 k( 50) = ( 0.2227203 0.6243848 -0.0000000), wk = 0.0018116 k( 51) = ( 0.2272656 0.6371274 -0.0000000), wk = 0.0018116 k( 52) = ( 0.2318109 0.6498699 -0.0000000), wk = 0.0018116 k( 53) = ( 0.2363562 0.6626125 -0.0000000), wk = 0.0018116 k( 54) = ( 0.2409015 0.6753550 -0.0000000), wk = 0.0018116 k( 55) = ( 0.2454469 0.6880976 -0.0000000), wk = 0.0018116 k( 56) = ( 0.2499922 0.7008401 -0.0000000), wk = 0.0018116 k( 57) = ( 0.2545375 0.7135827 -0.0000000), wk = 0.0018116 k( 58) = ( 0.2590828 0.7263252 -0.0000000), wk = 0.0018116 k( 59) = ( 0.2636281 0.7390678 -0.0000000), wk = 0.0018116 k( 60) = ( 0.2681734 0.7518103 -0.0000000), wk = 0.0018116 k( 61) = ( 0.2727187 0.7645529 -0.0000000), wk = 0.0018116 k( 62) = ( 0.2772640 0.7772954 -0.0000000), wk = 0.0018116 k( 63) = ( 0.2818094 0.7900380 -0.0000000), wk = 0.0018116 k( 64) = ( 0.2818094 0.7900380 -0.0000000), wk = 0.0018116 k( 65) = ( 0.2683899 0.7900380 -0.0000000), wk = 0.0018116 k( 66) = ( 0.2549704 0.7900380 -0.0000000), wk = 0.0018116 k( 67) = ( 0.2415509 0.7900380 -0.0000000), wk = 0.0018116 k( 68) = ( 0.2281314 0.7900380 -0.0000000), wk = 0.0018116 k( 69) = ( 0.2147119 0.7900380 -0.0000000), wk = 0.0018116 k( 70) = ( 0.2012924 0.7900380 -0.0000000), wk = 0.0018116 k( 71) = ( 0.1878729 0.7900380 -0.0000000), wk = 0.0018116 k( 72) = ( 0.1744534 0.7900380 -0.0000000), wk = 0.0018116 k( 73) = ( 0.1610339 0.7900380 -0.0000000), wk = 0.0018116 k( 74) = ( 0.1476144 0.7900380 -0.0000000), wk = 0.0018116 k( 75) = ( 0.1341949 0.7900380 -0.0000000), wk = 0.0018116 k( 76) = ( 0.1207754 0.7900380 -0.0000000), wk = 0.0018116 k( 77) = ( 0.1073560 0.7900380 -0.0000000), wk = 0.0018116 k( 78) = ( 0.0939365 0.7900380 -0.0000000), wk = 0.0018116 k( 79) = ( 0.0805170 0.7900380 -0.0000000), wk = 0.0018116 k( 80) = ( 0.0670975 0.7900380 -0.0000000), wk = 0.0018116 k( 81) = ( 0.0536780 0.7900380 -0.0000000), wk = 0.0018116 k( 82) = ( 0.0402585 0.7900380 -0.0000000), wk = 0.0018116 k( 83) = ( 0.0268390 0.7900380 -0.0000000), wk = 0.0018116 k( 84) = ( 0.0134195 0.7900380 -0.0000000), wk = 0.0018116 k( 85) = ( 0.0000000 0.7900380 -0.0000000), wk = 0.0018116 k( 86) = ( 0.0000000 0.7900380 -0.0000000), wk = 0.0018116 k( 87) = ( 0.0000000 0.7900380 0.0136147), wk = 0.0018116 k( 88) = ( 0.0000000 0.7900380 0.0272295), wk = 0.0018116 k( 89) = ( 0.0000000 0.7900380 0.0408442), wk = 0.0018116 k( 90) = ( 0.0000000 0.7900380 0.0544589), wk = 0.0018116 k( 91) = ( 0.0000000 0.7900380 0.0680736), wk = 0.0018116 k( 92) = ( 0.0000000 0.7900380 0.0816884), wk = 0.0018116 k( 93) = ( 0.0000000 0.7900380 0.0953031), wk = 0.0018116 k( 94) = ( 0.0000000 0.7900380 0.1089178), wk = 0.0018116 k( 95) = ( 0.0000000 0.7900380 0.1225326), wk = 0.0018116 k( 96) = ( 0.0000000 0.7900380 0.1361473), wk = 0.0018116 k( 97) = ( 0.0000000 0.7900380 0.1497620), wk = 0.0018116 k( 98) = ( 0.0000000 0.7900380 0.1633767), wk = 0.0018116 k( 99) = ( 0.0000000 0.7900380 0.1769915), wk = 0.0018116 k( 100) = ( 0.0000000 0.7900380 0.1906062), wk = 0.0018116 k( 101) = ( 0.0000000 0.7900380 0.2042209), wk = 0.0018116 k( 102) = ( 0.0000000 0.7900380 0.2178357), wk = 0.0018116 k( 103) = ( 0.0000000 0.7900380 0.2314504), wk = 0.0018116 k( 104) = ( 0.0000000 0.7900380 0.2450651), wk = 0.0018116 k( 105) = ( 0.0000000 0.7900380 0.2586798), wk = 0.0018116 k( 106) = ( 0.0000000 0.7900380 0.2722946), wk = 0.0018116 k( 107) = ( 0.0000000 0.7900380 0.2859093), wk = 0.0018116 k( 108) = ( 0.0000000 0.7900380 0.2995240), wk = 0.0018116 k( 109) = ( 0.0000000 0.7900380 0.3131388), wk = 0.0018116 k( 110) = ( 0.0000000 0.7900380 0.3267535), wk = 0.0018116 k( 111) = ( 0.0000000 0.7900380 0.3403682), wk = 0.0018116 k( 112) = ( 0.0000000 0.7900380 0.3539829), wk = 0.0018116 k( 113) = ( 0.0000000 0.7900380 0.3675977), wk = 0.0018116 k( 114) = ( 0.0000000 0.7900380 0.3812124), wk = 0.0018116 k( 115) = ( 0.0000000 0.7900380 0.3948271), wk = 0.0018116 k( 116) = ( 0.0000000 0.7900380 0.4084419), wk = 0.0018116 k( 117) = ( 0.0000000 0.7900380 0.4220566), wk = 0.0018116 k( 118) = ( 0.0000000 0.7900380 0.4356713), wk = 0.0018116 k( 119) = ( 0.0000000 0.7900380 0.4492860), wk = 0.0018116 k( 120) = ( 0.0000000 0.7900380 0.4629008), wk = 0.0018116 k( 121) = ( 0.0000000 0.7900380 0.4765155), wk = 0.0018116 k( 122) = ( 0.0000000 0.7900380 0.4901302), wk = 0.0018116 k( 123) = ( 0.0000000 0.7900380 0.5037450), wk = 0.0018116 k( 124) = ( 0.0000000 0.7900380 0.5173597), wk = 0.0018116 k( 125) = ( 0.0000000 0.7900380 0.5309744), wk = 0.0018116 k( 126) = ( 0.0000000 0.7900380 0.5445891), wk = 0.0018116 k( 127) = ( 0.0000000 0.7900380 0.5582039), wk = 0.0018116 k( 128) = ( 0.0000000 0.7900380 0.5718186), wk = 0.0018116 k( 129) = ( 0.0000000 0.7900380 0.5854333), wk = 0.0018116 k( 130) = ( 0.0000000 0.7900380 0.5990481), wk = 0.0018116 k( 131) = ( 0.0000000 0.7900380 0.6126628), wk = 0.0018116 k( 132) = ( 0.0000000 0.7900380 0.6262775), wk = 0.0018116 k( 133) = ( 0.0000000 0.7900380 0.6398922), wk = 0.0018116 k( 134) = ( 0.0000000 0.7900380 0.6535070), wk = 0.0018116 k( 135) = ( 0.0000000 0.7900380 0.6671217), wk = 0.0018116 k( 136) = ( 0.0000000 0.7900380 0.6807364), wk = 0.0018116 k( 137) = ( 0.0000000 0.7900380 0.6807364), wk = 0.0018116 k( 138) = ( 0.0134195 0.7900380 0.6807364), wk = 0.0018116 k( 139) = ( 0.0268390 0.7900380 0.6807364), wk = 0.0018116 k( 140) = ( 0.0402585 0.7900380 0.6807364), wk = 0.0018116 k( 141) = ( 0.0536780 0.7900380 0.6807364), wk = 0.0018116 k( 142) = ( 0.0670975 0.7900380 0.6807364), wk = 0.0018116 k( 143) = ( 0.0805170 0.7900380 0.6807364), wk = 0.0018116 k( 144) = ( 0.0939365 0.7900380 0.6807364), wk = 0.0018116 k( 145) = ( 0.1073560 0.7900380 0.6807364), wk = 0.0018116 k( 146) = ( 0.1207754 0.7900380 0.6807364), wk = 0.0018116 k( 147) = ( 0.1341949 0.7900380 0.6807364), wk = 0.0018116 k( 148) = ( 0.1476144 0.7900380 0.6807364), wk = 0.0018116 k( 149) = ( 0.1610339 0.7900380 0.6807364), wk = 0.0018116 k( 150) = ( 0.1744534 0.7900380 0.6807364), wk = 0.0018116 k( 151) = ( 0.1878729 0.7900380 0.6807364), wk = 0.0018116 k( 152) = ( 0.2012924 0.7900380 0.6807364), wk = 0.0018116 k( 153) = ( 0.2147119 0.7900380 0.6807364), wk = 0.0018116 k( 154) = ( 0.2281314 0.7900380 0.6807364), wk = 0.0018116 k( 155) = ( 0.2415509 0.7900380 0.6807364), wk = 0.0018116 k( 156) = ( 0.2549704 0.7900380 0.6807364), wk = 0.0018116 k( 157) = ( 0.2683899 0.7900380 0.6807364), wk = 0.0018116 k( 158) = ( 0.2818094 0.7900380 0.6807364), wk = 0.0018116 k( 159) = ( 0.2818094 0.7900380 0.6807364), wk = 0.0018116 k( 160) = ( 0.2772640 0.7772954 0.6807364), wk = 0.0018116 k( 161) = ( 0.2727187 0.7645529 0.6807364), wk = 0.0018116 k( 162) = ( 0.2681734 0.7518103 0.6807364), wk = 0.0018116 k( 163) = ( 0.2636281 0.7390678 0.6807364), wk = 0.0018116 k( 164) = ( 0.2590828 0.7263252 0.6807364), wk = 0.0018116 k( 165) = ( 0.2545375 0.7135827 0.6807364), wk = 0.0018116 k( 166) = ( 0.2499922 0.7008401 0.6807364), wk = 0.0018116 k( 167) = ( 0.2454469 0.6880976 0.6807364), wk = 0.0018116 k( 168) = ( 0.2409015 0.6753550 0.6807364), wk = 0.0018116 k( 169) = ( 0.2363562 0.6626125 0.6807364), wk = 0.0018116 k( 170) = ( 0.2318109 0.6498699 0.6807364), wk = 0.0018116 k( 171) = ( 0.2272656 0.6371274 0.6807364), wk = 0.0018116 k( 172) = ( 0.2227203 0.6243848 0.6807364), wk = 0.0018116 k( 173) = ( 0.2181750 0.6116423 0.6807364), wk = 0.0018116 k( 174) = ( 0.2136297 0.5988998 0.6807364), wk = 0.0018116 k( 175) = ( 0.2090844 0.5861572 0.6807364), wk = 0.0018116 k( 176) = ( 0.2045391 0.5734146 0.6807364), wk = 0.0018116 k( 177) = ( 0.1999937 0.5606721 0.6807364), wk = 0.0018116 k( 178) = ( 0.1954484 0.5479296 0.6807364), wk = 0.0018116 k( 179) = ( 0.1909031 0.5351870 0.6807364), wk = 0.0018116 k( 180) = ( 0.1863578 0.5224445 0.6807364), wk = 0.0018116 k( 181) = ( 0.1818125 0.5097019 0.6807364), wk = 0.0018116 k( 182) = ( 0.1772672 0.4969594 0.6807364), wk = 0.0018116 k( 183) = ( 0.1727219 0.4842168 0.6807364), wk = 0.0018116 k( 184) = ( 0.1681766 0.4714743 0.6807364), wk = 0.0018116 k( 185) = ( 0.1636312 0.4587317 0.6807364), wk = 0.0018116 k( 186) = ( 0.1590859 0.4459892 0.6807364), wk = 0.0018116 k( 187) = ( 0.1545406 0.4332466 0.6807364), wk = 0.0018116 k( 188) = ( 0.1499953 0.4205041 0.6807364), wk = 0.0018116 k( 189) = ( 0.1454500 0.4077615 0.6807364), wk = 0.0018116 k( 190) = ( 0.1409047 0.3950190 0.6807364), wk = 0.0018116 k( 191) = ( 0.1363594 0.3822764 0.6807364), wk = 0.0018116 k( 192) = ( 0.1318140 0.3695339 0.6807364), wk = 0.0018116 k( 193) = ( 0.1272687 0.3567913 0.6807364), wk = 0.0018116 k( 194) = ( 0.1227234 0.3440488 0.6807364), wk = 0.0018116 k( 195) = ( 0.1181781 0.3313062 0.6807364), wk = 0.0018116 k( 196) = ( 0.1136328 0.3185637 0.6807364), wk = 0.0018116 k( 197) = ( 0.1090875 0.3058211 0.6807364), wk = 0.0018116 k( 198) = ( 0.1045422 0.2930786 0.6807364), wk = 0.0018116 k( 199) = ( 0.0999969 0.2803361 0.6807364), wk = 0.0018116 k( 200) = ( 0.0954516 0.2675935 0.6807364), wk = 0.0018116 k( 201) = ( 0.0909062 0.2548509 0.6807364), wk = 0.0018116 k( 202) = ( 0.0863609 0.2421084 0.6807364), wk = 0.0018116 k( 203) = ( 0.0818156 0.2293659 0.6807364), wk = 0.0018116 k( 204) = ( 0.0772703 0.2166233 0.6807364), wk = 0.0018116 k( 205) = ( 0.0727250 0.2038808 0.6807364), wk = 0.0018116 k( 206) = ( 0.0681797 0.1911382 0.6807364), wk = 0.0018116 k( 207) = ( 0.0636344 0.1783957 0.6807364), wk = 0.0018116 k( 208) = ( 0.0590891 0.1656531 0.6807364), wk = 0.0018116 k( 209) = ( 0.0545438 0.1529106 0.6807364), wk = 0.0018116 k( 210) = ( 0.0499984 0.1401680 0.6807364), wk = 0.0018116 k( 211) = ( 0.0454531 0.1274255 0.6807364), wk = 0.0018116 k( 212) = ( 0.0409078 0.1146829 0.6807364), wk = 0.0018116 k( 213) = ( 0.0363625 0.1019404 0.6807364), wk = 0.0018116 k( 214) = ( 0.0318172 0.0891978 0.6807364), wk = 0.0018116 k( 215) = ( 0.0272719 0.0764553 0.6807364), wk = 0.0018116 k( 216) = ( 0.0227266 0.0637127 0.6807364), wk = 0.0018116 k( 217) = ( 0.0181812 0.0509702 0.6807364), wk = 0.0018116 k( 218) = ( 0.0136359 0.0382277 0.6807364), wk = 0.0018116 k( 219) = ( 0.0090906 0.0254851 0.6807364), wk = 0.0018116 k( 220) = ( 0.0045453 0.0127425 0.6807364), wk = 0.0018116 k( 221) = ( 0.0000000 0.0000000 0.6807364), wk = 0.0018116 k( 222) = ( 0.0000000 0.0000000 0.6807364), wk = 0.0018116 k( 223) = ( 0.0000000 0.0000000 0.6671217), wk = 0.0018116 k( 224) = ( 0.0000000 0.0000000 0.6535070), wk = 0.0018116 k( 225) = ( 0.0000000 0.0000000 0.6398922), wk = 0.0018116 k( 226) = ( 0.0000000 0.0000000 0.6262775), wk = 0.0018116 k( 227) = ( 0.0000000 0.0000000 0.6126628), wk = 0.0018116 k( 228) = ( 0.0000000 0.0000000 0.5990481), wk = 0.0018116 k( 229) = ( 0.0000000 0.0000000 0.5854333), wk = 0.0018116 k( 230) = ( 0.0000000 0.0000000 0.5718186), wk = 0.0018116 k( 231) = ( 0.0000000 0.0000000 0.5582039), wk = 0.0018116 k( 232) = ( 0.0000000 0.0000000 0.5445891), wk = 0.0018116 k( 233) = ( 0.0000000 0.0000000 0.5309744), wk = 0.0018116 k( 234) = ( 0.0000000 0.0000000 0.5173597), wk = 0.0018116 k( 235) = ( 0.0000000 0.0000000 0.5037450), wk = 0.0018116 k( 236) = ( 0.0000000 0.0000000 0.4901302), wk = 0.0018116 k( 237) = ( 0.0000000 0.0000000 0.4765155), wk = 0.0018116 k( 238) = ( 0.0000000 0.0000000 0.4629008), wk = 0.0018116 k( 239) = ( 0.0000000 0.0000000 0.4492860), wk = 0.0018116 k( 240) = ( 0.0000000 0.0000000 0.4356713), wk = 0.0018116 k( 241) = ( 0.0000000 0.0000000 0.4220566), wk = 0.0018116 k( 242) = ( 0.0000000 0.0000000 0.4084419), wk = 0.0018116 k( 243) = ( 0.0000000 0.0000000 0.3948271), wk = 0.0018116 k( 244) = ( 0.0000000 0.0000000 0.3812124), wk = 0.0018116 k( 245) = ( 0.0000000 0.0000000 0.3675977), wk = 0.0018116 k( 246) = ( 0.0000000 0.0000000 0.3539829), wk = 0.0018116 k( 247) = ( 0.0000000 0.0000000 0.3403682), wk = 0.0018116 k( 248) = ( 0.0000000 0.0000000 0.3267535), wk = 0.0018116 k( 249) = ( 0.0000000 0.0000000 0.3131388), wk = 0.0018116 k( 250) = ( 0.0000000 0.0000000 0.2995240), wk = 0.0018116 k( 251) = ( 0.0000000 0.0000000 0.2859093), wk = 0.0018116 k( 252) = ( 0.0000000 0.0000000 0.2722946), wk = 0.0018116 k( 253) = ( 0.0000000 0.0000000 0.2586798), wk = 0.0018116 k( 254) = ( 0.0000000 0.0000000 0.2450651), wk = 0.0018116 k( 255) = ( 0.0000000 0.0000000 0.2314504), wk = 0.0018116 k( 256) = ( 0.0000000 0.0000000 0.2178357), wk = 0.0018116 k( 257) = ( 0.0000000 0.0000000 0.2042209), wk = 0.0018116 k( 258) = ( 0.0000000 0.0000000 0.1906062), wk = 0.0018116 k( 259) = ( 0.0000000 0.0000000 0.1769915), wk = 0.0018116 k( 260) = ( 0.0000000 0.0000000 0.1633767), wk = 0.0018116 k( 261) = ( 0.0000000 0.0000000 0.1497620), wk = 0.0018116 k( 262) = ( 0.0000000 0.0000000 0.1361473), wk = 0.0018116 k( 263) = ( 0.0000000 0.0000000 0.1225326), wk = 0.0018116 k( 264) = ( 0.0000000 0.0000000 0.1089178), wk = 0.0018116 k( 265) = ( 0.0000000 0.0000000 0.0953031), wk = 0.0018116 k( 266) = ( 0.0000000 0.0000000 0.0816884), wk = 0.0018116 k( 267) = ( 0.0000000 0.0000000 0.0680736), wk = 0.0018116 k( 268) = ( 0.0000000 0.0000000 0.0544589), wk = 0.0018116 k( 269) = ( 0.0000000 0.0000000 0.0408442), wk = 0.0018116 k( 270) = ( 0.0000000 0.0000000 0.0272295), wk = 0.0018116 k( 271) = ( 0.0000000 0.0000000 0.0136147), wk = 0.0018116 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 274) = ( -0.0128205 0.0045731 0.0000000), wk = 0.0018116 k( 275) = ( -0.0256410 0.0091462 0.0000000), wk = 0.0018116 k( 276) = ( -0.0384615 0.0137194 0.0000000), wk = 0.0018116 k( 277) = ( -0.0512821 0.0182925 0.0000000), wk = 0.0018116 k( 278) = ( -0.0641026 0.0228656 0.0000000), wk = 0.0018116 k( 279) = ( -0.0769231 0.0274387 0.0000000), wk = 0.0018116 k( 280) = ( -0.0897436 0.0320119 0.0000000), wk = 0.0018116 k( 281) = ( -0.1025641 0.0365850 0.0000000), wk = 0.0018116 k( 282) = ( -0.1153846 0.0411581 0.0000000), wk = 0.0018116 k( 283) = ( -0.1282051 0.0457312 0.0000000), wk = 0.0018116 k( 284) = ( -0.1410256 0.0503043 0.0000000), wk = 0.0018116 k( 285) = ( -0.1538461 0.0548775 0.0000000), wk = 0.0018116 k( 286) = ( -0.1666667 0.0594506 0.0000000), wk = 0.0018116 k( 287) = ( -0.1794872 0.0640237 0.0000000), wk = 0.0018116 k( 288) = ( -0.1923077 0.0685968 0.0000000), wk = 0.0018116 k( 289) = ( -0.2051282 0.0731700 0.0000000), wk = 0.0018116 k( 290) = ( -0.2179487 0.0777431 0.0000000), wk = 0.0018116 k( 291) = ( -0.2307692 0.0823162 0.0000000), wk = 0.0018116 k( 292) = ( -0.2435897 0.0868893 0.0000000), wk = 0.0018116 k( 293) = ( -0.2564103 0.0914625 0.0000000), wk = 0.0018116 k( 294) = ( -0.2692308 0.0960356 0.0000000), wk = 0.0018116 k( 295) = ( -0.2820513 0.1006087 0.0000000), wk = 0.0018116 k( 296) = ( -0.2948718 0.1051818 0.0000000), wk = 0.0018116 k( 297) = ( -0.3076923 0.1097549 0.0000000), wk = 0.0018116 k( 298) = ( -0.3205128 0.1143281 0.0000000), wk = 0.0018116 k( 299) = ( -0.3333333 0.1189012 0.0000000), wk = 0.0018116 k( 300) = ( -0.3461538 0.1234743 0.0000000), wk = 0.0018116 k( 301) = ( -0.3589744 0.1280474 0.0000000), wk = 0.0018116 k( 302) = ( -0.3717949 0.1326206 0.0000000), wk = 0.0018116 k( 303) = ( -0.3846154 0.1371937 0.0000000), wk = 0.0018116 k( 304) = ( -0.3974359 0.1417668 0.0000000), wk = 0.0018116 k( 305) = ( -0.4102564 0.1463399 0.0000000), wk = 0.0018116 k( 306) = ( -0.4230769 0.1509130 0.0000000), wk = 0.0018116 k( 307) = ( -0.4358974 0.1554862 0.0000000), wk = 0.0018116 k( 308) = ( -0.4487179 0.1600593 0.0000000), wk = 0.0018116 k( 309) = ( -0.4615385 0.1646324 0.0000000), wk = 0.0018116 k( 310) = ( -0.4743590 0.1692055 0.0000000), wk = 0.0018116 k( 311) = ( -0.4871795 0.1737787 0.0000000), wk = 0.0018116 k( 312) = ( -0.5000000 0.1783518 0.0000000), wk = 0.0018116 k( 313) = ( -0.5000000 0.1783518 0.0000000), wk = 0.0018116 k( 314) = ( -0.4954544 0.1910953 -0.0000000), wk = 0.0018116 k( 315) = ( -0.4909087 0.2038387 -0.0000000), wk = 0.0018116 k( 316) = ( -0.4863631 0.2165822 -0.0000000), wk = 0.0018116 k( 317) = ( -0.4818174 0.2293256 -0.0000000), wk = 0.0018116 k( 318) = ( -0.4772718 0.2420691 -0.0000000), wk = 0.0018116 k( 319) = ( -0.4727262 0.2548126 -0.0000000), wk = 0.0018116 k( 320) = ( -0.4681805 0.2675560 -0.0000000), wk = 0.0018116 k( 321) = ( -0.4636349 0.2802995 -0.0000000), wk = 0.0018116 k( 322) = ( -0.4590893 0.2930430 -0.0000000), wk = 0.0018116 k( 323) = ( -0.4545436 0.3057864 -0.0000000), wk = 0.0018116 k( 324) = ( -0.4499980 0.3185299 -0.0000000), wk = 0.0018116 k( 325) = ( -0.4454523 0.3312733 -0.0000000), wk = 0.0018116 k( 326) = ( -0.4409067 0.3440168 -0.0000000), wk = 0.0018116 k( 327) = ( -0.4363611 0.3567603 -0.0000000), wk = 0.0018116 k( 328) = ( -0.4318154 0.3695037 -0.0000000), wk = 0.0018116 k( 329) = ( -0.4272698 0.3822472 -0.0000000), wk = 0.0018116 k( 330) = ( -0.4227242 0.3949906 -0.0000000), wk = 0.0018116 k( 331) = ( -0.4181785 0.4077341 -0.0000000), wk = 0.0018116 k( 332) = ( -0.4136329 0.4204776 -0.0000000), wk = 0.0018116 k( 333) = ( -0.4090872 0.4332210 -0.0000000), wk = 0.0018116 k( 334) = ( -0.4045416 0.4459645 -0.0000000), wk = 0.0018116 k( 335) = ( -0.3999960 0.4587079 -0.0000000), wk = 0.0018116 k( 336) = ( -0.3954503 0.4714514 -0.0000000), wk = 0.0018116 k( 337) = ( -0.3909047 0.4841949 -0.0000000), wk = 0.0018116 k( 338) = ( -0.3863590 0.4969383 -0.0000000), wk = 0.0018116 k( 339) = ( -0.3818134 0.5096818 -0.0000000), wk = 0.0018116 k( 340) = ( -0.3772678 0.5224253 -0.0000000), wk = 0.0018116 k( 341) = ( -0.3727221 0.5351687 -0.0000000), wk = 0.0018116 k( 342) = ( -0.3681765 0.5479122 -0.0000000), wk = 0.0018116 k( 343) = ( -0.3636309 0.5606556 -0.0000000), wk = 0.0018116 k( 344) = ( -0.3590852 0.5733991 -0.0000000), wk = 0.0018116 k( 345) = ( -0.3545396 0.5861426 -0.0000000), wk = 0.0018116 k( 346) = ( -0.3499939 0.5988860 -0.0000000), wk = 0.0018116 k( 347) = ( -0.3454483 0.6116295 -0.0000000), wk = 0.0018116 k( 348) = ( -0.3409027 0.6243729 -0.0000000), wk = 0.0018116 k( 349) = ( -0.3363570 0.6371164 -0.0000000), wk = 0.0018116 k( 350) = ( -0.3318114 0.6498599 -0.0000000), wk = 0.0018116 k( 351) = ( -0.3272657 0.6626033 -0.0000000), wk = 0.0018116 k( 352) = ( -0.3227201 0.6753468 -0.0000000), wk = 0.0018116 k( 353) = ( -0.3181745 0.6880903 -0.0000000), wk = 0.0018116 k( 354) = ( -0.3136288 0.7008337 -0.0000000), wk = 0.0018116 k( 355) = ( -0.3090832 0.7135772 -0.0000000), wk = 0.0018116 k( 356) = ( -0.3045375 0.7263207 -0.0000000), wk = 0.0018116 k( 357) = ( -0.2999919 0.7390641 -0.0000000), wk = 0.0018116 k( 358) = ( -0.2954463 0.7518076 -0.0000000), wk = 0.0018116 k( 359) = ( -0.2909006 0.7645510 -0.0000000), wk = 0.0018116 k( 360) = ( -0.2863550 0.7772945 -0.0000000), wk = 0.0018116 k( 361) = ( -0.2818094 0.7900380 -0.0000000), wk = 0.0018116 k( 362) = ( -0.2818094 0.7900380 -0.0000000), wk = 0.0018116 k( 363) = ( -0.2818094 0.7900380 0.0136147), wk = 0.0018116 k( 364) = ( -0.2818094 0.7900380 0.0272295), wk = 0.0018116 k( 365) = ( -0.2818094 0.7900380 0.0408442), wk = 0.0018116 k( 366) = ( -0.2818094 0.7900380 0.0544589), wk = 0.0018116 k( 367) = ( -0.2818094 0.7900380 0.0680736), wk = 0.0018116 k( 368) = ( -0.2818094 0.7900380 0.0816884), wk = 0.0018116 k( 369) = ( -0.2818094 0.7900380 0.0953031), wk = 0.0018116 k( 370) = ( -0.2818094 0.7900380 0.1089178), wk = 0.0018116 k( 371) = ( -0.2818094 0.7900380 0.1225326), wk = 0.0018116 k( 372) = ( -0.2818094 0.7900380 0.1361473), wk = 0.0018116 k( 373) = ( -0.2818094 0.7900380 0.1497620), wk = 0.0018116 k( 374) = ( -0.2818094 0.7900380 0.1633767), wk = 0.0018116 k( 375) = ( -0.2818094 0.7900380 0.1769915), wk = 0.0018116 k( 376) = ( -0.2818094 0.7900380 0.1906062), wk = 0.0018116 k( 377) = ( -0.2818094 0.7900380 0.2042209), wk = 0.0018116 k( 378) = ( -0.2818094 0.7900380 0.2178357), wk = 0.0018116 k( 379) = ( -0.2818094 0.7900380 0.2314504), wk = 0.0018116 k( 380) = ( -0.2818094 0.7900380 0.2450651), wk = 0.0018116 k( 381) = ( -0.2818094 0.7900380 0.2586798), wk = 0.0018116 k( 382) = ( -0.2818094 0.7900380 0.2722946), wk = 0.0018116 k( 383) = ( -0.2818094 0.7900380 0.2859093), wk = 0.0018116 k( 384) = ( -0.2818094 0.7900380 0.2995240), wk = 0.0018116 k( 385) = ( -0.2818094 0.7900380 0.3131388), wk = 0.0018116 k( 386) = ( -0.2818094 0.7900380 0.3267535), wk = 0.0018116 k( 387) = ( -0.2818094 0.7900380 0.3403682), wk = 0.0018116 k( 388) = ( -0.2818094 0.7900380 0.3539829), wk = 0.0018116 k( 389) = ( -0.2818094 0.7900380 0.3675977), wk = 0.0018116 k( 390) = ( -0.2818094 0.7900380 0.3812124), wk = 0.0018116 k( 391) = ( -0.2818094 0.7900380 0.3948271), wk = 0.0018116 k( 392) = ( -0.2818094 0.7900380 0.4084419), wk = 0.0018116 k( 393) = ( -0.2818094 0.7900380 0.4220566), wk = 0.0018116 k( 394) = ( -0.2818094 0.7900380 0.4356713), wk = 0.0018116 k( 395) = ( -0.2818094 0.7900380 0.4492860), wk = 0.0018116 k( 396) = ( -0.2818094 0.7900380 0.4629008), wk = 0.0018116 k( 397) = ( -0.2818094 0.7900380 0.4765155), wk = 0.0018116 k( 398) = ( -0.2818094 0.7900380 0.4901302), wk = 0.0018116 k( 399) = ( -0.2818094 0.7900380 0.5037450), wk = 0.0018116 k( 400) = ( -0.2818094 0.7900380 0.5173597), wk = 0.0018116 k( 401) = ( -0.2818094 0.7900380 0.5309744), wk = 0.0018116 k( 402) = ( -0.2818094 0.7900380 0.5445891), wk = 0.0018116 k( 403) = ( -0.2818094 0.7900380 0.5582039), wk = 0.0018116 k( 404) = ( -0.2818094 0.7900380 0.5718186), wk = 0.0018116 k( 405) = ( -0.2818094 0.7900380 0.5854333), wk = 0.0018116 k( 406) = ( -0.2818094 0.7900380 0.5990481), wk = 0.0018116 k( 407) = ( -0.2818094 0.7900380 0.6126628), wk = 0.0018116 k( 408) = ( -0.2818094 0.7900380 0.6262775), wk = 0.0018116 k( 409) = ( -0.2818094 0.7900380 0.6398922), wk = 0.0018116 k( 410) = ( -0.2818094 0.7900380 0.6535070), wk = 0.0018116 k( 411) = ( -0.2818094 0.7900380 0.6671217), wk = 0.0018116 k( 412) = ( -0.2818094 0.7900380 0.6807364), wk = 0.0018116 k( 413) = ( -0.2818094 0.7900380 0.6807364), wk = 0.0018116 k( 414) = ( -0.2863550 0.7772945 0.6807364), wk = 0.0018116 k( 415) = ( -0.2909006 0.7645510 0.6807364), wk = 0.0018116 k( 416) = ( -0.2954463 0.7518076 0.6807364), wk = 0.0018116 k( 417) = ( -0.2999919 0.7390641 0.6807364), wk = 0.0018116 k( 418) = ( -0.3045375 0.7263207 0.6807364), wk = 0.0018116 k( 419) = ( -0.3090832 0.7135772 0.6807364), wk = 0.0018116 k( 420) = ( -0.3136288 0.7008337 0.6807364), wk = 0.0018116 k( 421) = ( -0.3181745 0.6880903 0.6807364), wk = 0.0018116 k( 422) = ( -0.3227201 0.6753468 0.6807364), wk = 0.0018116 k( 423) = ( -0.3272657 0.6626033 0.6807364), wk = 0.0018116 k( 424) = ( -0.3318114 0.6498599 0.6807364), wk = 0.0018116 k( 425) = ( -0.3363570 0.6371164 0.6807364), wk = 0.0018116 k( 426) = ( -0.3409027 0.6243729 0.6807364), wk = 0.0018116 k( 427) = ( -0.3454483 0.6116295 0.6807364), wk = 0.0018116 k( 428) = ( -0.3499939 0.5988860 0.6807364), wk = 0.0018116 k( 429) = ( -0.3545396 0.5861426 0.6807364), wk = 0.0018116 k( 430) = ( -0.3590852 0.5733991 0.6807364), wk = 0.0018116 k( 431) = ( -0.3636309 0.5606556 0.6807364), wk = 0.0018116 k( 432) = ( -0.3681765 0.5479122 0.6807364), wk = 0.0018116 k( 433) = ( -0.3727221 0.5351687 0.6807364), wk = 0.0018116 k( 434) = ( -0.3772678 0.5224253 0.6807364), wk = 0.0018116 k( 435) = ( -0.3818134 0.5096818 0.6807364), wk = 0.0018116 k( 436) = ( -0.3863590 0.4969383 0.6807364), wk = 0.0018116 k( 437) = ( -0.3909047 0.4841949 0.6807364), wk = 0.0018116 k( 438) = ( -0.3954503 0.4714514 0.6807364), wk = 0.0018116 k( 439) = ( -0.3999960 0.4587079 0.6807364), wk = 0.0018116 k( 440) = ( -0.4045416 0.4459645 0.6807364), wk = 0.0018116 k( 441) = ( -0.4090872 0.4332210 0.6807364), wk = 0.0018116 k( 442) = ( -0.4136329 0.4204776 0.6807364), wk = 0.0018116 k( 443) = ( -0.4181785 0.4077341 0.6807364), wk = 0.0018116 k( 444) = ( -0.4227242 0.3949906 0.6807364), wk = 0.0018116 k( 445) = ( -0.4272698 0.3822472 0.6807364), wk = 0.0018116 k( 446) = ( -0.4318154 0.3695037 0.6807364), wk = 0.0018116 k( 447) = ( -0.4363611 0.3567603 0.6807364), wk = 0.0018116 k( 448) = ( -0.4409067 0.3440168 0.6807364), wk = 0.0018116 k( 449) = ( -0.4454523 0.3312733 0.6807364), wk = 0.0018116 k( 450) = ( -0.4499980 0.3185299 0.6807364), wk = 0.0018116 k( 451) = ( -0.4545436 0.3057864 0.6807364), wk = 0.0018116 k( 452) = ( -0.4590893 0.2930430 0.6807364), wk = 0.0018116 k( 453) = ( -0.4636349 0.2802995 0.6807364), wk = 0.0018116 k( 454) = ( -0.4681805 0.2675560 0.6807364), wk = 0.0018116 k( 455) = ( -0.4727262 0.2548126 0.6807364), wk = 0.0018116 k( 456) = ( -0.4772718 0.2420691 0.6807364), wk = 0.0018116 k( 457) = ( -0.4818174 0.2293256 0.6807364), wk = 0.0018116 k( 458) = ( -0.4863631 0.2165822 0.6807364), wk = 0.0018116 k( 459) = ( -0.4909087 0.2038387 0.6807364), wk = 0.0018116 k( 460) = ( -0.4954544 0.1910953 0.6807364), wk = 0.0018116 k( 461) = ( -0.5000000 0.1783518 0.6807364), wk = 0.0018116 k( 462) = ( -0.5000000 0.1783518 0.6807364), wk = 0.0018116 k( 463) = ( -0.5000000 0.1783518 0.6671217), wk = 0.0018116 k( 464) = ( -0.5000000 0.1783518 0.6535070), wk = 0.0018116 k( 465) = ( -0.5000000 0.1783518 0.6398922), wk = 0.0018116 k( 466) = ( -0.5000000 0.1783518 0.6262775), wk = 0.0018116 k( 467) = ( -0.5000000 0.1783518 0.6126628), wk = 0.0018116 k( 468) = ( -0.5000000 0.1783518 0.5990481), wk = 0.0018116 k( 469) = ( -0.5000000 0.1783518 0.5854333), wk = 0.0018116 k( 470) = ( -0.5000000 0.1783518 0.5718186), wk = 0.0018116 k( 471) = ( -0.5000000 0.1783518 0.5582039), wk = 0.0018116 k( 472) = ( -0.5000000 0.1783518 0.5445891), wk = 0.0018116 k( 473) = ( -0.5000000 0.1783518 0.5309744), wk = 0.0018116 k( 474) = ( -0.5000000 0.1783518 0.5173597), wk = 0.0018116 k( 475) = ( -0.5000000 0.1783518 0.5037450), wk = 0.0018116 k( 476) = ( -0.5000000 0.1783518 0.4901302), wk = 0.0018116 k( 477) = ( -0.5000000 0.1783518 0.4765155), wk = 0.0018116 k( 478) = ( -0.5000000 0.1783518 0.4629008), wk = 0.0018116 k( 479) = ( -0.5000000 0.1783518 0.4492860), wk = 0.0018116 k( 480) = ( -0.5000000 0.1783518 0.4356713), wk = 0.0018116 k( 481) = ( -0.5000000 0.1783518 0.4220566), wk = 0.0018116 k( 482) = ( -0.5000000 0.1783518 0.4084419), wk = 0.0018116 k( 483) = ( -0.5000000 0.1783518 0.3948271), wk = 0.0018116 k( 484) = ( -0.5000000 0.1783518 0.3812124), wk = 0.0018116 k( 485) = ( -0.5000000 0.1783518 0.3675977), wk = 0.0018116 k( 486) = ( -0.5000000 0.1783518 0.3539829), wk = 0.0018116 k( 487) = ( -0.5000000 0.1783518 0.3403682), wk = 0.0018116 k( 488) = ( -0.5000000 0.1783518 0.3267535), wk = 0.0018116 k( 489) = ( -0.5000000 0.1783518 0.3131388), wk = 0.0018116 k( 490) = ( -0.5000000 0.1783518 0.2995240), wk = 0.0018116 k( 491) = ( -0.5000000 0.1783518 0.2859093), wk = 0.0018116 k( 492) = ( -0.5000000 0.1783518 0.2722946), wk = 0.0018116 k( 493) = ( -0.5000000 0.1783518 0.2586798), wk = 0.0018116 k( 494) = ( -0.5000000 0.1783518 0.2450651), wk = 0.0018116 k( 495) = ( -0.5000000 0.1783518 0.2314504), wk = 0.0018116 k( 496) = ( -0.5000000 0.1783518 0.2178357), wk = 0.0018116 k( 497) = ( -0.5000000 0.1783518 0.2042209), wk = 0.0018116 k( 498) = ( -0.5000000 0.1783518 0.1906062), wk = 0.0018116 k( 499) = ( -0.5000000 0.1783518 0.1769915), wk = 0.0018116 k( 500) = ( -0.5000000 0.1783518 0.1633767), wk = 0.0018116 k( 501) = ( -0.5000000 0.1783518 0.1497620), wk = 0.0018116 k( 502) = ( -0.5000000 0.1783518 0.1361473), wk = 0.0018116 k( 503) = ( -0.5000000 0.1783518 0.1225326), wk = 0.0018116 k( 504) = ( -0.5000000 0.1783518 0.1089178), wk = 0.0018116 k( 505) = ( -0.5000000 0.1783518 0.0953031), wk = 0.0018116 k( 506) = ( -0.5000000 0.1783518 0.0816884), wk = 0.0018116 k( 507) = ( -0.5000000 0.1783518 0.0680736), wk = 0.0018116 k( 508) = ( -0.5000000 0.1783518 0.0544589), wk = 0.0018116 k( 509) = ( -0.5000000 0.1783518 0.0408442), wk = 0.0018116 k( 510) = ( -0.5000000 0.1783518 0.0272295), wk = 0.0018116 k( 511) = ( -0.5000000 0.1783518 0.0136147), wk = 0.0018116 k( 512) = ( -0.5000000 0.1783518 0.0000000), wk = 0.0018116 k( 513) = ( 0.0000000 0.0000000 0.6807364), wk = 0.0018116 k( 514) = ( -0.0128205 0.0045731 0.6807364), wk = 0.0018116 k( 515) = ( -0.0256410 0.0091462 0.6807364), wk = 0.0018116 k( 516) = ( -0.0384615 0.0137194 0.6807364), wk = 0.0018116 k( 517) = ( -0.0512821 0.0182925 0.6807364), wk = 0.0018116 k( 518) = ( -0.0641026 0.0228656 0.6807364), wk = 0.0018116 k( 519) = ( -0.0769231 0.0274387 0.6807364), wk = 0.0018116 k( 520) = ( -0.0897436 0.0320119 0.6807364), wk = 0.0018116 k( 521) = ( -0.1025641 0.0365850 0.6807364), wk = 0.0018116 k( 522) = ( -0.1153846 0.0411581 0.6807364), wk = 0.0018116 k( 523) = ( -0.1282051 0.0457312 0.6807364), wk = 0.0018116 k( 524) = ( -0.1410256 0.0503043 0.6807364), wk = 0.0018116 k( 525) = ( -0.1538461 0.0548775 0.6807364), wk = 0.0018116 k( 526) = ( -0.1666667 0.0594506 0.6807364), wk = 0.0018116 k( 527) = ( -0.1794872 0.0640237 0.6807364), wk = 0.0018116 k( 528) = ( -0.1923077 0.0685968 0.6807364), wk = 0.0018116 k( 529) = ( -0.2051282 0.0731700 0.6807364), wk = 0.0018116 k( 530) = ( -0.2179487 0.0777431 0.6807364), wk = 0.0018116 k( 531) = ( -0.2307692 0.0823162 0.6807364), wk = 0.0018116 k( 532) = ( -0.2435897 0.0868893 0.6807364), wk = 0.0018116 k( 533) = ( -0.2564103 0.0914625 0.6807364), wk = 0.0018116 k( 534) = ( -0.2692308 0.0960356 0.6807364), wk = 0.0018116 k( 535) = ( -0.2820513 0.1006087 0.6807364), wk = 0.0018116 k( 536) = ( -0.2948718 0.1051818 0.6807364), wk = 0.0018116 k( 537) = ( -0.3076923 0.1097549 0.6807364), wk = 0.0018116 k( 538) = ( -0.3205128 0.1143281 0.6807364), wk = 0.0018116 k( 539) = ( -0.3333333 0.1189012 0.6807364), wk = 0.0018116 k( 540) = ( -0.3461538 0.1234743 0.6807364), wk = 0.0018116 k( 541) = ( -0.3589744 0.1280474 0.6807364), wk = 0.0018116 k( 542) = ( -0.3717949 0.1326206 0.6807364), wk = 0.0018116 k( 543) = ( -0.3846154 0.1371937 0.6807364), wk = 0.0018116 k( 544) = ( -0.3974359 0.1417668 0.6807364), wk = 0.0018116 k( 545) = ( -0.4102564 0.1463399 0.6807364), wk = 0.0018116 k( 546) = ( -0.4230769 0.1509130 0.6807364), wk = 0.0018116 k( 547) = ( -0.4358974 0.1554862 0.6807364), wk = 0.0018116 k( 548) = ( -0.4487179 0.1600593 0.6807364), wk = 0.0018116 k( 549) = ( -0.4615385 0.1646324 0.6807364), wk = 0.0018116 k( 550) = ( -0.4743590 0.1692055 0.6807364), wk = 0.0018116 k( 551) = ( -0.4871795 0.1737787 0.6807364), wk = 0.0018116 k( 552) = ( -0.5000000 0.1783518 0.6807364), wk = 0.0018116 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 2) = ( 0.0045453 0.0045453 -0.0000000), wk = 0.0018116 k( 3) = ( 0.0090906 0.0090906 -0.0000000), wk = 0.0018116 k( 4) = ( 0.0136359 0.0136359 -0.0000000), wk = 0.0018116 k( 5) = ( 0.0181812 0.0181812 -0.0000000), wk = 0.0018116 k( 6) = ( 0.0227266 0.0227266 -0.0000000), wk = 0.0018116 k( 7) = ( 0.0272719 0.0272719 -0.0000000), wk = 0.0018116 k( 8) = ( 0.0318172 0.0318172 0.0000000), wk = 0.0018116 k( 9) = ( 0.0363625 0.0363625 -0.0000000), wk = 0.0018116 k( 10) = ( 0.0409078 0.0409078 -0.0000000), wk = 0.0018116 k( 11) = ( 0.0454531 0.0454531 -0.0000000), wk = 0.0018116 k( 12) = ( 0.0499984 0.0499984 -0.0000000), wk = 0.0018116 k( 13) = ( 0.0545438 0.0545438 0.0000000), wk = 0.0018116 k( 14) = ( 0.0590891 0.0590891 -0.0000000), wk = 0.0018116 k( 15) = ( 0.0636344 0.0636344 0.0000000), wk = 0.0018116 k( 16) = ( 0.0681797 0.0681797 -0.0000000), wk = 0.0018116 k( 17) = ( 0.0727250 0.0727250 -0.0000000), wk = 0.0018116 k( 18) = ( 0.0772703 0.0772703 0.0000000), wk = 0.0018116 k( 19) = ( 0.0818156 0.0818156 -0.0000000), wk = 0.0018116 k( 20) = ( 0.0863609 0.0863609 -0.0000000), wk = 0.0018116 k( 21) = ( 0.0909062 0.0909062 -0.0000000), wk = 0.0018116 k( 22) = ( 0.0954516 0.0954516 -0.0000000), wk = 0.0018116 k( 23) = ( 0.0999969 0.0999969 -0.0000000), wk = 0.0018116 k( 24) = ( 0.1045422 0.1045422 -0.0000000), wk = 0.0018116 k( 25) = ( 0.1090875 0.1090875 0.0000000), wk = 0.0018116 k( 26) = ( 0.1136328 0.1136328 -0.0000000), wk = 0.0018116 k( 27) = ( 0.1181781 0.1181781 -0.0000000), wk = 0.0018116 k( 28) = ( 0.1227234 0.1227234 -0.0000000), wk = 0.0018116 k( 29) = ( 0.1272687 0.1272687 0.0000000), wk = 0.0018116 k( 30) = ( 0.1318140 0.1318141 -0.0000000), wk = 0.0018116 k( 31) = ( 0.1363594 0.1363594 0.0000000), wk = 0.0018116 k( 32) = ( 0.1409047 0.1409047 0.0000000), wk = 0.0018116 k( 33) = ( 0.1454500 0.1454500 0.0000000), wk = 0.0018116 k( 34) = ( 0.1499953 0.1499953 -0.0000000), wk = 0.0018116 k( 35) = ( 0.1545406 0.1545406 0.0000000), wk = 0.0018116 k( 36) = ( 0.1590859 0.1590859 0.0000000), wk = 0.0018116 k( 37) = ( 0.1636312 0.1636312 -0.0000000), wk = 0.0018116 k( 38) = ( 0.1681766 0.1681766 -0.0000000), wk = 0.0018116 k( 39) = ( 0.1727219 0.1727219 -0.0000000), wk = 0.0018116 k( 40) = ( 0.1772672 0.1772672 0.0000000), wk = 0.0018116 k( 41) = ( 0.1818125 0.1818125 -0.0000000), wk = 0.0018116 k( 42) = ( 0.1863578 0.1863578 0.0000000), wk = 0.0018116 k( 43) = ( 0.1909031 0.1909031 -0.0000000), wk = 0.0018116 k( 44) = ( 0.1954484 0.1954484 0.0000000), wk = 0.0018116 k( 45) = ( 0.1999937 0.1999937 -0.0000000), wk = 0.0018116 k( 46) = ( 0.2045391 0.2045391 -0.0000000), wk = 0.0018116 k( 47) = ( 0.2090844 0.2090844 -0.0000000), wk = 0.0018116 k( 48) = ( 0.2136297 0.2136297 -0.0000000), wk = 0.0018116 k( 49) = ( 0.2181750 0.2181750 -0.0000000), wk = 0.0018116 k( 50) = ( 0.2227203 0.2227203 -0.0000000), wk = 0.0018116 k( 51) = ( 0.2272656 0.2272656 0.0000000), wk = 0.0018116 k( 52) = ( 0.2318109 0.2318109 0.0000000), wk = 0.0018116 k( 53) = ( 0.2363562 0.2363562 -0.0000000), wk = 0.0018116 k( 54) = ( 0.2409015 0.2409016 0.0000000), wk = 0.0018116 k( 55) = ( 0.2454469 0.2454469 -0.0000000), wk = 0.0018116 k( 56) = ( 0.2499922 0.2499922 0.0000000), wk = 0.0018116 k( 57) = ( 0.2545375 0.2545375 -0.0000000), wk = 0.0018116 k( 58) = ( 0.2590828 0.2590828 0.0000000), wk = 0.0018116 k( 59) = ( 0.2636281 0.2636281 0.0000000), wk = 0.0018116 k( 60) = ( 0.2681734 0.2681734 -0.0000000), wk = 0.0018116 k( 61) = ( 0.2727187 0.2727187 -0.0000000), wk = 0.0018116 k( 62) = ( 0.2772640 0.2772640 0.0000000), wk = 0.0018116 k( 63) = ( 0.2818094 0.2818094 0.0000000), wk = 0.0018116 k( 64) = ( 0.2818094 0.2818094 0.0000000), wk = 0.0018116 k( 65) = ( 0.2683899 0.2921994 -0.0000000), wk = 0.0018116 k( 66) = ( 0.2549704 0.3025894 -0.0000000), wk = 0.0018116 k( 67) = ( 0.2415509 0.3129794 -0.0000000), wk = 0.0018116 k( 68) = ( 0.2281314 0.3233695 -0.0000000), wk = 0.0018116 k( 69) = ( 0.2147119 0.3337595 -0.0000000), wk = 0.0018116 k( 70) = ( 0.2012924 0.3441495 -0.0000000), wk = 0.0018116 k( 71) = ( 0.1878729 0.3545396 -0.0000000), wk = 0.0018116 k( 72) = ( 0.1744534 0.3649296 -0.0000000), wk = 0.0018116 k( 73) = ( 0.1610339 0.3753196 -0.0000000), wk = 0.0018116 k( 74) = ( 0.1476144 0.3857097 -0.0000000), wk = 0.0018116 k( 75) = ( 0.1341949 0.3960997 0.0000000), wk = 0.0018116 k( 76) = ( 0.1207754 0.4064897 -0.0000000), wk = 0.0018116 k( 77) = ( 0.1073560 0.4168798 0.0000000), wk = 0.0018116 k( 78) = ( 0.0939365 0.4272698 -0.0000000), wk = 0.0018116 k( 79) = ( 0.0805170 0.4376598 0.0000000), wk = 0.0018116 k( 80) = ( 0.0670975 0.4480498 -0.0000000), wk = 0.0018116 k( 81) = ( 0.0536780 0.4584399 -0.0000000), wk = 0.0018116 k( 82) = ( 0.0402585 0.4688299 -0.0000000), wk = 0.0018116 k( 83) = ( 0.0268390 0.4792199 -0.0000000), wk = 0.0018116 k( 84) = ( 0.0134195 0.4896100 -0.0000000), wk = 0.0018116 k( 85) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018116 k( 86) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018116 k( 87) = ( 0.0000000 0.5000000 0.0100000), wk = 0.0018116 k( 88) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0018116 k( 89) = ( 0.0000000 0.5000000 0.0300000), wk = 0.0018116 k( 90) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0018116 k( 91) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0018116 k( 92) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0018116 k( 93) = ( 0.0000000 0.5000000 0.0700000), wk = 0.0018116 k( 94) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0018116 k( 95) = ( 0.0000000 0.5000000 0.0900000), wk = 0.0018116 k( 96) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0018116 k( 97) = ( 0.0000000 0.5000000 0.1100000), wk = 0.0018116 k( 98) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0018116 k( 99) = ( 0.0000000 0.5000000 0.1300000), wk = 0.0018116 k( 100) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0018116 k( 101) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0018116 k( 102) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0018116 k( 103) = ( 0.0000000 0.5000000 0.1700000), wk = 0.0018116 k( 104) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0018116 k( 105) = ( 0.0000000 0.5000000 0.1900000), wk = 0.0018116 k( 106) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0018116 k( 107) = ( 0.0000000 0.5000000 0.2100000), wk = 0.0018116 k( 108) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0018116 k( 109) = ( 0.0000000 0.5000000 0.2300000), wk = 0.0018116 k( 110) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0018116 k( 111) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0018116 k( 112) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0018116 k( 113) = ( 0.0000000 0.5000000 0.2700000), wk = 0.0018116 k( 114) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0018116 k( 115) = ( 0.0000000 0.5000000 0.2900000), wk = 0.0018116 k( 116) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0018116 k( 117) = ( 0.0000000 0.5000000 0.3100000), wk = 0.0018116 k( 118) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0018116 k( 119) = ( 0.0000000 0.5000000 0.3300000), wk = 0.0018116 k( 120) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0018116 k( 121) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0018116 k( 122) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0018116 k( 123) = ( 0.0000000 0.5000000 0.3700000), wk = 0.0018116 k( 124) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0018116 k( 125) = ( 0.0000000 0.5000000 0.3900000), wk = 0.0018116 k( 126) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0018116 k( 127) = ( 0.0000000 0.5000000 0.4100000), wk = 0.0018116 k( 128) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0018116 k( 129) = ( 0.0000000 0.5000000 0.4300000), wk = 0.0018116 k( 130) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0018116 k( 131) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0018116 k( 132) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0018116 k( 133) = ( 0.0000000 0.5000000 0.4700000), wk = 0.0018116 k( 134) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0018116 k( 135) = ( 0.0000000 0.5000000 0.4900000), wk = 0.0018116 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018116 k( 137) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018116 k( 138) = ( 0.0134195 0.4896100 0.5000000), wk = 0.0018116 k( 139) = ( 0.0268390 0.4792199 0.5000000), wk = 0.0018116 k( 140) = ( 0.0402585 0.4688299 0.5000000), wk = 0.0018116 k( 141) = ( 0.0536780 0.4584399 0.5000000), wk = 0.0018116 k( 142) = ( 0.0670975 0.4480498 0.5000000), wk = 0.0018116 k( 143) = ( 0.0805170 0.4376598 0.5000000), wk = 0.0018116 k( 144) = ( 0.0939365 0.4272698 0.5000000), wk = 0.0018116 k( 145) = ( 0.1073560 0.4168798 0.5000000), wk = 0.0018116 k( 146) = ( 0.1207754 0.4064897 0.5000000), wk = 0.0018116 k( 147) = ( 0.1341949 0.3960997 0.5000000), wk = 0.0018116 k( 148) = ( 0.1476144 0.3857097 0.5000000), wk = 0.0018116 k( 149) = ( 0.1610339 0.3753196 0.5000000), wk = 0.0018116 k( 150) = ( 0.1744534 0.3649296 0.5000000), wk = 0.0018116 k( 151) = ( 0.1878729 0.3545396 0.5000000), wk = 0.0018116 k( 152) = ( 0.2012924 0.3441495 0.5000000), wk = 0.0018116 k( 153) = ( 0.2147119 0.3337595 0.5000000), wk = 0.0018116 k( 154) = ( 0.2281314 0.3233695 0.5000000), wk = 0.0018116 k( 155) = ( 0.2415509 0.3129794 0.5000000), wk = 0.0018116 k( 156) = ( 0.2549704 0.3025894 0.5000000), wk = 0.0018116 k( 157) = ( 0.2683899 0.2921994 0.5000000), wk = 0.0018116 k( 158) = ( 0.2818094 0.2818094 0.5000000), wk = 0.0018116 k( 159) = ( 0.2818094 0.2818094 0.5000000), wk = 0.0018116 k( 160) = ( 0.2772640 0.2772640 0.5000000), wk = 0.0018116 k( 161) = ( 0.2727187 0.2727187 0.5000000), wk = 0.0018116 k( 162) = ( 0.2681734 0.2681734 0.5000000), wk = 0.0018116 k( 163) = ( 0.2636281 0.2636281 0.5000000), wk = 0.0018116 k( 164) = ( 0.2590828 0.2590828 0.5000000), wk = 0.0018116 k( 165) = ( 0.2545375 0.2545375 0.5000000), wk = 0.0018116 k( 166) = ( 0.2499922 0.2499922 0.5000000), wk = 0.0018116 k( 167) = ( 0.2454469 0.2454469 0.5000000), wk = 0.0018116 k( 168) = ( 0.2409015 0.2409016 0.5000000), wk = 0.0018116 k( 169) = ( 0.2363562 0.2363562 0.5000000), wk = 0.0018116 k( 170) = ( 0.2318109 0.2318109 0.5000000), wk = 0.0018116 k( 171) = ( 0.2272656 0.2272656 0.5000000), wk = 0.0018116 k( 172) = ( 0.2227203 0.2227203 0.5000000), wk = 0.0018116 k( 173) = ( 0.2181750 0.2181750 0.5000000), wk = 0.0018116 k( 174) = ( 0.2136297 0.2136297 0.5000000), wk = 0.0018116 k( 175) = ( 0.2090844 0.2090844 0.5000000), wk = 0.0018116 k( 176) = ( 0.2045391 0.2045391 0.5000000), wk = 0.0018116 k( 177) = ( 0.1999937 0.1999937 0.5000000), wk = 0.0018116 k( 178) = ( 0.1954484 0.1954484 0.5000000), wk = 0.0018116 k( 179) = ( 0.1909031 0.1909031 0.5000000), wk = 0.0018116 k( 180) = ( 0.1863578 0.1863578 0.5000000), wk = 0.0018116 k( 181) = ( 0.1818125 0.1818125 0.5000000), wk = 0.0018116 k( 182) = ( 0.1772672 0.1772672 0.5000000), wk = 0.0018116 k( 183) = ( 0.1727219 0.1727219 0.5000000), wk = 0.0018116 k( 184) = ( 0.1681766 0.1681766 0.5000000), wk = 0.0018116 k( 185) = ( 0.1636312 0.1636312 0.5000000), wk = 0.0018116 k( 186) = ( 0.1590859 0.1590859 0.5000000), wk = 0.0018116 k( 187) = ( 0.1545406 0.1545406 0.5000000), wk = 0.0018116 k( 188) = ( 0.1499953 0.1499953 0.5000000), wk = 0.0018116 k( 189) = ( 0.1454500 0.1454500 0.5000000), wk = 0.0018116 k( 190) = ( 0.1409047 0.1409047 0.5000000), wk = 0.0018116 k( 191) = ( 0.1363594 0.1363594 0.5000000), wk = 0.0018116 k( 192) = ( 0.1318140 0.1318141 0.5000000), wk = 0.0018116 k( 193) = ( 0.1272687 0.1272687 0.5000000), wk = 0.0018116 k( 194) = ( 0.1227234 0.1227234 0.5000000), wk = 0.0018116 k( 195) = ( 0.1181781 0.1181781 0.5000000), wk = 0.0018116 k( 196) = ( 0.1136328 0.1136328 0.5000000), wk = 0.0018116 k( 197) = ( 0.1090875 0.1090875 0.5000000), wk = 0.0018116 k( 198) = ( 0.1045422 0.1045422 0.5000000), wk = 0.0018116 k( 199) = ( 0.0999969 0.0999969 0.5000000), wk = 0.0018116 k( 200) = ( 0.0954516 0.0954516 0.5000000), wk = 0.0018116 k( 201) = ( 0.0909062 0.0909062 0.5000000), wk = 0.0018116 k( 202) = ( 0.0863609 0.0863609 0.5000000), wk = 0.0018116 k( 203) = ( 0.0818156 0.0818156 0.5000000), wk = 0.0018116 k( 204) = ( 0.0772703 0.0772703 0.5000000), wk = 0.0018116 k( 205) = ( 0.0727250 0.0727250 0.5000000), wk = 0.0018116 k( 206) = ( 0.0681797 0.0681797 0.5000000), wk = 0.0018116 k( 207) = ( 0.0636344 0.0636344 0.5000000), wk = 0.0018116 k( 208) = ( 0.0590891 0.0590891 0.5000000), wk = 0.0018116 k( 209) = ( 0.0545438 0.0545438 0.5000000), wk = 0.0018116 k( 210) = ( 0.0499984 0.0499984 0.5000000), wk = 0.0018116 k( 211) = ( 0.0454531 0.0454531 0.5000000), wk = 0.0018116 k( 212) = ( 0.0409078 0.0409078 0.5000000), wk = 0.0018116 k( 213) = ( 0.0363625 0.0363625 0.5000000), wk = 0.0018116 k( 214) = ( 0.0318172 0.0318172 0.5000000), wk = 0.0018116 k( 215) = ( 0.0272719 0.0272719 0.5000000), wk = 0.0018116 k( 216) = ( 0.0227266 0.0227266 0.5000000), wk = 0.0018116 k( 217) = ( 0.0181812 0.0181812 0.5000000), wk = 0.0018116 k( 218) = ( 0.0136359 0.0136359 0.5000000), wk = 0.0018116 k( 219) = ( 0.0090906 0.0090906 0.5000000), wk = 0.0018116 k( 220) = ( 0.0045453 0.0045453 0.5000000), wk = 0.0018116 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018116 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018116 k( 223) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0018116 k( 224) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0018116 k( 225) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0018116 k( 226) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0018116 k( 227) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0018116 k( 228) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0018116 k( 229) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0018116 k( 230) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0018116 k( 231) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0018116 k( 232) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0018116 k( 233) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0018116 k( 234) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0018116 k( 235) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0018116 k( 236) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0018116 k( 237) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0018116 k( 238) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0018116 k( 239) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0018116 k( 240) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0018116 k( 241) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0018116 k( 242) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0018116 k( 243) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0018116 k( 244) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0018116 k( 245) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0018116 k( 246) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0018116 k( 247) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018116 k( 248) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0018116 k( 249) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0018116 k( 250) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0018116 k( 251) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0018116 k( 252) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0018116 k( 253) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0018116 k( 254) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0018116 k( 255) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0018116 k( 256) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0018116 k( 257) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0018116 k( 258) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0018116 k( 259) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0018116 k( 260) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0018116 k( 261) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0018116 k( 262) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0018116 k( 263) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0018116 k( 264) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0018116 k( 265) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0018116 k( 266) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0018116 k( 267) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0018116 k( 268) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0018116 k( 269) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0018116 k( 270) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0018116 k( 271) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0018116 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018116 k( 274) = ( -0.0128205 0.0128205 -0.0000000), wk = 0.0018116 k( 275) = ( -0.0256410 0.0256410 -0.0000000), wk = 0.0018116 k( 276) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0018116 k( 277) = ( -0.0512821 0.0512821 -0.0000000), wk = 0.0018116 k( 278) = ( -0.0641026 0.0641026 -0.0000000), wk = 0.0018116 k( 279) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0018116 k( 280) = ( -0.0897436 0.0897436 -0.0000000), wk = 0.0018116 k( 281) = ( -0.1025641 0.1025641 -0.0000000), wk = 0.0018116 k( 282) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0018116 k( 283) = ( -0.1282051 0.1282051 -0.0000000), wk = 0.0018116 k( 284) = ( -0.1410256 0.1410256 -0.0000000), wk = 0.0018116 k( 285) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0018116 k( 286) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0018116 k( 287) = ( -0.1794872 0.1794872 -0.0000000), wk = 0.0018116 k( 288) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0018116 k( 289) = ( -0.2051282 0.2051282 -0.0000000), wk = 0.0018116 k( 290) = ( -0.2179487 0.2179487 -0.0000000), wk = 0.0018116 k( 291) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0018116 k( 292) = ( -0.2435897 0.2435897 -0.0000000), wk = 0.0018116 k( 293) = ( -0.2564103 0.2564103 -0.0000000), wk = 0.0018116 k( 294) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0018116 k( 295) = ( -0.2820513 0.2820513 -0.0000000), wk = 0.0018116 k( 296) = ( -0.2948718 0.2948718 -0.0000000), wk = 0.0018116 k( 297) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0018116 k( 298) = ( -0.3205128 0.3205128 -0.0000000), wk = 0.0018116 k( 299) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0018116 k( 300) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0018116 k( 301) = ( -0.3589744 0.3589744 -0.0000000), wk = 0.0018116 k( 302) = ( -0.3717949 0.3717949 -0.0000000), wk = 0.0018116 k( 303) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0018116 k( 304) = ( -0.3974359 0.3974359 -0.0000000), wk = 0.0018116 k( 305) = ( -0.4102564 0.4102564 -0.0000000), wk = 0.0018116 k( 306) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0018116 k( 307) = ( -0.4358974 0.4358974 -0.0000000), wk = 0.0018116 k( 308) = ( -0.4487179 0.4487179 -0.0000000), wk = 0.0018116 k( 309) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0018116 k( 310) = ( -0.4743590 0.4743590 -0.0000000), wk = 0.0018116 k( 311) = ( -0.4871795 0.4871795 -0.0000000), wk = 0.0018116 k( 312) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018116 k( 313) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018116 k( 314) = ( -0.4954544 0.5045456 -0.0000000), wk = 0.0018116 k( 315) = ( -0.4909087 0.5090913 -0.0000000), wk = 0.0018116 k( 316) = ( -0.4863631 0.5136369 -0.0000000), wk = 0.0018116 k( 317) = ( -0.4818174 0.5181825 -0.0000000), wk = 0.0018116 k( 318) = ( -0.4772718 0.5227282 -0.0000000), wk = 0.0018116 k( 319) = ( -0.4727262 0.5272738 -0.0000000), wk = 0.0018116 k( 320) = ( -0.4681805 0.5318195 -0.0000000), wk = 0.0018116 k( 321) = ( -0.4636349 0.5363651 -0.0000000), wk = 0.0018116 k( 322) = ( -0.4590893 0.5409107 -0.0000000), wk = 0.0018116 k( 323) = ( -0.4545436 0.5454564 -0.0000000), wk = 0.0018116 k( 324) = ( -0.4499980 0.5500020 -0.0000000), wk = 0.0018116 k( 325) = ( -0.4454523 0.5545477 -0.0000000), wk = 0.0018116 k( 326) = ( -0.4409067 0.5590933 -0.0000000), wk = 0.0018116 k( 327) = ( -0.4363611 0.5636389 -0.0000000), wk = 0.0018116 k( 328) = ( -0.4318154 0.5681846 -0.0000000), wk = 0.0018116 k( 329) = ( -0.4272698 0.5727302 -0.0000000), wk = 0.0018116 k( 330) = ( -0.4227242 0.5772759 -0.0000000), wk = 0.0018116 k( 331) = ( -0.4181785 0.5818215 -0.0000000), wk = 0.0018116 k( 332) = ( -0.4136329 0.5863671 -0.0000000), wk = 0.0018116 k( 333) = ( -0.4090872 0.5909128 -0.0000000), wk = 0.0018116 k( 334) = ( -0.4045416 0.5954584 -0.0000000), wk = 0.0018116 k( 335) = ( -0.3999960 0.6000040 -0.0000000), wk = 0.0018116 k( 336) = ( -0.3954503 0.6045497 -0.0000000), wk = 0.0018116 k( 337) = ( -0.3909047 0.6090953 -0.0000000), wk = 0.0018116 k( 338) = ( -0.3863590 0.6136410 -0.0000000), wk = 0.0018116 k( 339) = ( -0.3818134 0.6181866 -0.0000000), wk = 0.0018116 k( 340) = ( -0.3772678 0.6227322 -0.0000000), wk = 0.0018116 k( 341) = ( -0.3727221 0.6272779 -0.0000000), wk = 0.0018116 k( 342) = ( -0.3681765 0.6318235 -0.0000000), wk = 0.0018116 k( 343) = ( -0.3636309 0.6363691 -0.0000000), wk = 0.0018116 k( 344) = ( -0.3590852 0.6409148 -0.0000000), wk = 0.0018116 k( 345) = ( -0.3545396 0.6454604 -0.0000000), wk = 0.0018116 k( 346) = ( -0.3499939 0.6500061 -0.0000000), wk = 0.0018116 k( 347) = ( -0.3454483 0.6545517 -0.0000000), wk = 0.0018116 k( 348) = ( -0.3409027 0.6590973 -0.0000000), wk = 0.0018116 k( 349) = ( -0.3363570 0.6636430 -0.0000000), wk = 0.0018116 k( 350) = ( -0.3318114 0.6681886 -0.0000000), wk = 0.0018116 k( 351) = ( -0.3272657 0.6727343 -0.0000000), wk = 0.0018116 k( 352) = ( -0.3227201 0.6772799 -0.0000000), wk = 0.0018116 k( 353) = ( -0.3181745 0.6818255 -0.0000000), wk = 0.0018116 k( 354) = ( -0.3136288 0.6863712 -0.0000000), wk = 0.0018116 k( 355) = ( -0.3090832 0.6909168 -0.0000000), wk = 0.0018116 k( 356) = ( -0.3045375 0.6954624 -0.0000000), wk = 0.0018116 k( 357) = ( -0.2999919 0.7000081 -0.0000000), wk = 0.0018116 k( 358) = ( -0.2954463 0.7045537 -0.0000000), wk = 0.0018116 k( 359) = ( -0.2909006 0.7090994 -0.0000000), wk = 0.0018116 k( 360) = ( -0.2863550 0.7136450 -0.0000000), wk = 0.0018116 k( 361) = ( -0.2818094 0.7181906 -0.0000000), wk = 0.0018116 k( 362) = ( -0.2818094 0.7181906 -0.0000000), wk = 0.0018116 k( 363) = ( -0.2818094 0.7181906 0.0100000), wk = 0.0018116 k( 364) = ( -0.2818094 0.7181906 0.0200000), wk = 0.0018116 k( 365) = ( -0.2818094 0.7181906 0.0300000), wk = 0.0018116 k( 366) = ( -0.2818094 0.7181906 0.0400000), wk = 0.0018116 k( 367) = ( -0.2818094 0.7181906 0.0500000), wk = 0.0018116 k( 368) = ( -0.2818094 0.7181906 0.0600000), wk = 0.0018116 k( 369) = ( -0.2818094 0.7181906 0.0700000), wk = 0.0018116 k( 370) = ( -0.2818094 0.7181906 0.0800000), wk = 0.0018116 k( 371) = ( -0.2818094 0.7181906 0.0900000), wk = 0.0018116 k( 372) = ( -0.2818094 0.7181906 0.1000000), wk = 0.0018116 k( 373) = ( -0.2818094 0.7181906 0.1100000), wk = 0.0018116 k( 374) = ( -0.2818094 0.7181906 0.1200000), wk = 0.0018116 k( 375) = ( -0.2818094 0.7181906 0.1300000), wk = 0.0018116 k( 376) = ( -0.2818094 0.7181906 0.1400000), wk = 0.0018116 k( 377) = ( -0.2818094 0.7181906 0.1500000), wk = 0.0018116 k( 378) = ( -0.2818094 0.7181906 0.1600000), wk = 0.0018116 k( 379) = ( -0.2818094 0.7181906 0.1700000), wk = 0.0018116 k( 380) = ( -0.2818094 0.7181906 0.1800000), wk = 0.0018116 k( 381) = ( -0.2818094 0.7181906 0.1900000), wk = 0.0018116 k( 382) = ( -0.2818094 0.7181906 0.2000000), wk = 0.0018116 k( 383) = ( -0.2818094 0.7181906 0.2100000), wk = 0.0018116 k( 384) = ( -0.2818094 0.7181906 0.2200000), wk = 0.0018116 k( 385) = ( -0.2818094 0.7181906 0.2300000), wk = 0.0018116 k( 386) = ( -0.2818094 0.7181906 0.2400000), wk = 0.0018116 k( 387) = ( -0.2818094 0.7181906 0.2500000), wk = 0.0018116 k( 388) = ( -0.2818094 0.7181906 0.2600000), wk = 0.0018116 k( 389) = ( -0.2818094 0.7181906 0.2700000), wk = 0.0018116 k( 390) = ( -0.2818094 0.7181906 0.2800000), wk = 0.0018116 k( 391) = ( -0.2818094 0.7181906 0.2900000), wk = 0.0018116 k( 392) = ( -0.2818094 0.7181906 0.3000000), wk = 0.0018116 k( 393) = ( -0.2818094 0.7181906 0.3100000), wk = 0.0018116 k( 394) = ( -0.2818094 0.7181906 0.3200000), wk = 0.0018116 k( 395) = ( -0.2818094 0.7181906 0.3300000), wk = 0.0018116 k( 396) = ( -0.2818094 0.7181906 0.3400000), wk = 0.0018116 k( 397) = ( -0.2818094 0.7181906 0.3500000), wk = 0.0018116 k( 398) = ( -0.2818094 0.7181906 0.3600000), wk = 0.0018116 k( 399) = ( -0.2818094 0.7181906 0.3700000), wk = 0.0018116 k( 400) = ( -0.2818094 0.7181906 0.3800000), wk = 0.0018116 k( 401) = ( -0.2818094 0.7181906 0.3900000), wk = 0.0018116 k( 402) = ( -0.2818094 0.7181906 0.4000000), wk = 0.0018116 k( 403) = ( -0.2818094 0.7181906 0.4100000), wk = 0.0018116 k( 404) = ( -0.2818094 0.7181906 0.4200000), wk = 0.0018116 k( 405) = ( -0.2818094 0.7181906 0.4300000), wk = 0.0018116 k( 406) = ( -0.2818094 0.7181906 0.4400000), wk = 0.0018116 k( 407) = ( -0.2818094 0.7181906 0.4500000), wk = 0.0018116 k( 408) = ( -0.2818094 0.7181906 0.4600000), wk = 0.0018116 k( 409) = ( -0.2818094 0.7181906 0.4700000), wk = 0.0018116 k( 410) = ( -0.2818094 0.7181906 0.4800000), wk = 0.0018116 k( 411) = ( -0.2818094 0.7181906 0.4900000), wk = 0.0018116 k( 412) = ( -0.2818094 0.7181906 0.5000000), wk = 0.0018116 k( 413) = ( -0.2818094 0.7181906 0.5000000), wk = 0.0018116 k( 414) = ( -0.2863550 0.7136450 0.5000000), wk = 0.0018116 k( 415) = ( -0.2909006 0.7090994 0.5000000), wk = 0.0018116 k( 416) = ( -0.2954463 0.7045537 0.5000000), wk = 0.0018116 k( 417) = ( -0.2999919 0.7000081 0.5000000), wk = 0.0018116 k( 418) = ( -0.3045375 0.6954624 0.5000000), wk = 0.0018116 k( 419) = ( -0.3090832 0.6909168 0.5000000), wk = 0.0018116 k( 420) = ( -0.3136288 0.6863712 0.5000000), wk = 0.0018116 k( 421) = ( -0.3181745 0.6818255 0.5000000), wk = 0.0018116 k( 422) = ( -0.3227201 0.6772799 0.5000000), wk = 0.0018116 k( 423) = ( -0.3272657 0.6727343 0.5000000), wk = 0.0018116 k( 424) = ( -0.3318114 0.6681886 0.5000000), wk = 0.0018116 k( 425) = ( -0.3363570 0.6636430 0.5000000), wk = 0.0018116 k( 426) = ( -0.3409027 0.6590973 0.5000000), wk = 0.0018116 k( 427) = ( -0.3454483 0.6545517 0.5000000), wk = 0.0018116 k( 428) = ( -0.3499939 0.6500061 0.5000000), wk = 0.0018116 k( 429) = ( -0.3545396 0.6454604 0.5000000), wk = 0.0018116 k( 430) = ( -0.3590852 0.6409148 0.5000000), wk = 0.0018116 k( 431) = ( -0.3636309 0.6363691 0.5000000), wk = 0.0018116 k( 432) = ( -0.3681765 0.6318235 0.5000000), wk = 0.0018116 k( 433) = ( -0.3727221 0.6272779 0.5000000), wk = 0.0018116 k( 434) = ( -0.3772678 0.6227322 0.5000000), wk = 0.0018116 k( 435) = ( -0.3818134 0.6181866 0.5000000), wk = 0.0018116 k( 436) = ( -0.3863590 0.6136410 0.5000000), wk = 0.0018116 k( 437) = ( -0.3909047 0.6090953 0.5000000), wk = 0.0018116 k( 438) = ( -0.3954503 0.6045497 0.5000000), wk = 0.0018116 k( 439) = ( -0.3999960 0.6000040 0.5000000), wk = 0.0018116 k( 440) = ( -0.4045416 0.5954584 0.5000000), wk = 0.0018116 k( 441) = ( -0.4090872 0.5909128 0.5000000), wk = 0.0018116 k( 442) = ( -0.4136329 0.5863671 0.5000000), wk = 0.0018116 k( 443) = ( -0.4181785 0.5818215 0.5000000), wk = 0.0018116 k( 444) = ( -0.4227242 0.5772759 0.5000000), wk = 0.0018116 k( 445) = ( -0.4272698 0.5727302 0.5000000), wk = 0.0018116 k( 446) = ( -0.4318154 0.5681846 0.5000000), wk = 0.0018116 k( 447) = ( -0.4363611 0.5636389 0.5000000), wk = 0.0018116 k( 448) = ( -0.4409067 0.5590933 0.5000000), wk = 0.0018116 k( 449) = ( -0.4454523 0.5545477 0.5000000), wk = 0.0018116 k( 450) = ( -0.4499980 0.5500020 0.5000000), wk = 0.0018116 k( 451) = ( -0.4545436 0.5454564 0.5000000), wk = 0.0018116 k( 452) = ( -0.4590893 0.5409107 0.5000000), wk = 0.0018116 k( 453) = ( -0.4636349 0.5363651 0.5000000), wk = 0.0018116 k( 454) = ( -0.4681805 0.5318195 0.5000000), wk = 0.0018116 k( 455) = ( -0.4727262 0.5272738 0.5000000), wk = 0.0018116 k( 456) = ( -0.4772718 0.5227282 0.5000000), wk = 0.0018116 k( 457) = ( -0.4818174 0.5181825 0.5000000), wk = 0.0018116 k( 458) = ( -0.4863631 0.5136369 0.5000000), wk = 0.0018116 k( 459) = ( -0.4909087 0.5090913 0.5000000), wk = 0.0018116 k( 460) = ( -0.4954544 0.5045456 0.5000000), wk = 0.0018116 k( 461) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018116 k( 462) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018116 k( 463) = ( -0.5000000 0.5000000 0.4900000), wk = 0.0018116 k( 464) = ( -0.5000000 0.5000000 0.4800000), wk = 0.0018116 k( 465) = ( -0.5000000 0.5000000 0.4700000), wk = 0.0018116 k( 466) = ( -0.5000000 0.5000000 0.4600000), wk = 0.0018116 k( 467) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0018116 k( 468) = ( -0.5000000 0.5000000 0.4400000), wk = 0.0018116 k( 469) = ( -0.5000000 0.5000000 0.4300000), wk = 0.0018116 k( 470) = ( -0.5000000 0.5000000 0.4200000), wk = 0.0018116 k( 471) = ( -0.5000000 0.5000000 0.4100000), wk = 0.0018116 k( 472) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0018116 k( 473) = ( -0.5000000 0.5000000 0.3900000), wk = 0.0018116 k( 474) = ( -0.5000000 0.5000000 0.3800000), wk = 0.0018116 k( 475) = ( -0.5000000 0.5000000 0.3700000), wk = 0.0018116 k( 476) = ( -0.5000000 0.5000000 0.3600000), wk = 0.0018116 k( 477) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0018116 k( 478) = ( -0.5000000 0.5000000 0.3400000), wk = 0.0018116 k( 479) = ( -0.5000000 0.5000000 0.3300000), wk = 0.0018116 k( 480) = ( -0.5000000 0.5000000 0.3200000), wk = 0.0018116 k( 481) = ( -0.5000000 0.5000000 0.3100000), wk = 0.0018116 k( 482) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0018116 k( 483) = ( -0.5000000 0.5000000 0.2900000), wk = 0.0018116 k( 484) = ( -0.5000000 0.5000000 0.2800000), wk = 0.0018116 k( 485) = ( -0.5000000 0.5000000 0.2700000), wk = 0.0018116 k( 486) = ( -0.5000000 0.5000000 0.2600000), wk = 0.0018116 k( 487) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0018116 k( 488) = ( -0.5000000 0.5000000 0.2400000), wk = 0.0018116 k( 489) = ( -0.5000000 0.5000000 0.2300000), wk = 0.0018116 k( 490) = ( -0.5000000 0.5000000 0.2200000), wk = 0.0018116 k( 491) = ( -0.5000000 0.5000000 0.2100000), wk = 0.0018116 k( 492) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0018116 k( 493) = ( -0.5000000 0.5000000 0.1900000), wk = 0.0018116 k( 494) = ( -0.5000000 0.5000000 0.1800000), wk = 0.0018116 k( 495) = ( -0.5000000 0.5000000 0.1700000), wk = 0.0018116 k( 496) = ( -0.5000000 0.5000000 0.1600000), wk = 0.0018116 k( 497) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0018116 k( 498) = ( -0.5000000 0.5000000 0.1400000), wk = 0.0018116 k( 499) = ( -0.5000000 0.5000000 0.1300000), wk = 0.0018116 k( 500) = ( -0.5000000 0.5000000 0.1200000), wk = 0.0018116 k( 501) = ( -0.5000000 0.5000000 0.1100000), wk = 0.0018116 k( 502) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0018116 k( 503) = ( -0.5000000 0.5000000 0.0900000), wk = 0.0018116 k( 504) = ( -0.5000000 0.5000000 0.0800000), wk = 0.0018116 k( 505) = ( -0.5000000 0.5000000 0.0700000), wk = 0.0018116 k( 506) = ( -0.5000000 0.5000000 0.0600000), wk = 0.0018116 k( 507) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0018116 k( 508) = ( -0.5000000 0.5000000 0.0400000), wk = 0.0018116 k( 509) = ( -0.5000000 0.5000000 0.0300000), wk = 0.0018116 k( 510) = ( -0.5000000 0.5000000 0.0200000), wk = 0.0018116 k( 511) = ( -0.5000000 0.5000000 0.0100000), wk = 0.0018116 k( 512) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018116 k( 513) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018116 k( 514) = ( -0.0128205 0.0128205 0.5000000), wk = 0.0018116 k( 515) = ( -0.0256410 0.0256410 0.5000000), wk = 0.0018116 k( 516) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0018116 k( 517) = ( -0.0512821 0.0512821 0.5000000), wk = 0.0018116 k( 518) = ( -0.0641026 0.0641026 0.5000000), wk = 0.0018116 k( 519) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0018116 k( 520) = ( -0.0897436 0.0897436 0.5000000), wk = 0.0018116 k( 521) = ( -0.1025641 0.1025641 0.5000000), wk = 0.0018116 k( 522) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0018116 k( 523) = ( -0.1282051 0.1282051 0.5000000), wk = 0.0018116 k( 524) = ( -0.1410256 0.1410256 0.5000000), wk = 0.0018116 k( 525) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0018116 k( 526) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0018116 k( 527) = ( -0.1794872 0.1794872 0.5000000), wk = 0.0018116 k( 528) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0018116 k( 529) = ( -0.2051282 0.2051282 0.5000000), wk = 0.0018116 k( 530) = ( -0.2179487 0.2179487 0.5000000), wk = 0.0018116 k( 531) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0018116 k( 532) = ( -0.2435897 0.2435897 0.5000000), wk = 0.0018116 k( 533) = ( -0.2564103 0.2564103 0.5000000), wk = 0.0018116 k( 534) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0018116 k( 535) = ( -0.2820513 0.2820513 0.5000000), wk = 0.0018116 k( 536) = ( -0.2948718 0.2948718 0.5000000), wk = 0.0018116 k( 537) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0018116 k( 538) = ( -0.3205128 0.3205128 0.5000000), wk = 0.0018116 k( 539) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0018116 k( 540) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0018116 k( 541) = ( -0.3589744 0.3589744 0.5000000), wk = 0.0018116 k( 542) = ( -0.3717949 0.3717949 0.5000000), wk = 0.0018116 k( 543) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0018116 k( 544) = ( -0.3974359 0.3974359 0.5000000), wk = 0.0018116 k( 545) = ( -0.4102564 0.4102564 0.5000000), wk = 0.0018116 k( 546) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0018116 k( 547) = ( -0.4358974 0.4358974 0.5000000), wk = 0.0018116 k( 548) = ( -0.4487179 0.4487179 0.5000000), wk = 0.0018116 k( 549) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0018116 k( 550) = ( -0.4743590 0.4743590 0.5000000), wk = 0.0018116 k( 551) = ( -0.4871795 0.4871795 0.5000000), wk = 0.0018116 k( 552) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018116 Dense grid: 15841 G-vectors FFT dimensions: ( 45, 45, 30) Smooth grid: 9975 G-vectors FFT dimensions: ( 36, 36, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 84, 34) NL pseudopotentials 0.04 Mb ( 42, 68) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 440) G-vector shells 0.00 Mb ( 231) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 84, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 68, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Ga.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 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 2.4 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 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.4 secs Computing kpt #: 17 total cpu time spent up to now is 3.5 secs Computing kpt #: 18 total cpu time spent up to now is 3.6 secs Computing kpt #: 19 total cpu time spent up to now is 3.7 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.5 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.8 secs Computing kpt #: 39 total cpu time spent up to now is 5.9 secs Computing kpt #: 40 total cpu time spent up to now is 6.0 secs Computing kpt #: 41 total cpu time spent up to now is 6.1 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.8 secs Computing kpt #: 47 total cpu time spent up to now is 6.9 secs Computing kpt #: 48 total cpu time spent up to now is 7.1 secs Computing kpt #: 49 total cpu time spent up to now is 7.2 secs Computing kpt #: 50 total cpu time spent up to now is 7.4 secs Computing kpt #: 51 total cpu time spent up to now is 7.5 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.8 secs Computing kpt #: 54 total cpu time spent up to now is 7.9 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.3 secs Computing kpt #: 58 total cpu time spent up to now is 8.4 secs Computing kpt #: 59 total cpu time spent up to now is 8.5 secs Computing kpt #: 60 total cpu time spent up to now is 8.6 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 8.9 secs Computing kpt #: 64 total cpu time spent up to now is 9.0 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.5 secs Computing kpt #: 69 total cpu time spent up to now is 9.6 secs Computing kpt #: 70 total cpu time spent up to now is 9.7 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.2 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.5 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.7 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.3 secs Computing kpt #: 83 total cpu time spent up to now is 11.4 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.7 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 12.0 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.3 secs Computing kpt #: 90 total cpu time spent up to now is 12.4 secs Computing kpt #: 91 total cpu time spent up to now is 12.5 secs Computing kpt #: 92 total cpu time spent up to now is 12.7 secs Computing kpt #: 93 total cpu time spent up to now is 12.8 secs Computing kpt #: 94 total cpu time spent up to now is 12.9 secs Computing kpt #: 95 total cpu time spent up to now is 13.1 secs Computing kpt #: 96 total cpu time spent up to now is 13.2 secs Computing kpt #: 97 total cpu time spent up to now is 13.3 secs Computing kpt #: 98 total cpu time spent up to now is 13.5 secs Computing kpt #: 99 total cpu time spent up to now is 13.6 secs Computing kpt #: 100 total cpu time spent up to now is 13.7 secs Computing kpt #: 101 total cpu time spent up to now is 13.8 secs Computing kpt #: 102 total cpu time spent up to now is 13.9 secs Computing kpt #: 103 total cpu time spent up to now is 14.1 secs Computing kpt #: 104 total cpu time spent up to now is 14.2 secs Computing kpt #: 105 total cpu time spent up to now is 14.3 secs Computing kpt #: 106 total cpu time spent up to now is 14.4 secs Computing kpt #: 107 total cpu time spent up to now is 14.5 secs Computing kpt #: 108 total cpu time spent up to now is 14.7 secs Computing kpt #: 109 total cpu time spent up to now is 14.8 secs Computing kpt #: 110 total cpu time spent up to now is 14.9 secs Computing kpt #: 111 total cpu time spent up to now is 15.1 secs Computing kpt #: 112 total cpu time spent up to now is 15.2 secs Computing kpt #: 113 total cpu time spent up to now is 15.4 secs Computing kpt #: 114 total cpu time spent up to now is 15.5 secs Computing kpt #: 115 total cpu time spent up to now is 15.7 secs Computing kpt #: 116 total cpu time spent up to now is 15.8 secs Computing kpt #: 117 total cpu time spent up to now is 16.0 secs Computing kpt #: 118 total cpu time spent up to now is 16.1 secs Computing kpt #: 119 total cpu time spent up to now is 16.2 secs Computing kpt #: 120 total cpu time spent up to now is 16.4 secs Computing kpt #: 121 total cpu time spent up to now is 16.5 secs Computing kpt #: 122 total cpu time spent up to now is 16.6 secs Computing kpt #: 123 total cpu time spent up to now is 16.8 secs Computing kpt #: 124 total cpu time spent up to now is 16.9 secs Computing kpt #: 125 total cpu time spent up to now is 17.0 secs Computing kpt #: 126 total cpu time spent up to now is 17.2 secs Computing kpt #: 127 total cpu time spent up to now is 17.3 secs Computing kpt #: 128 total cpu time spent up to now is 17.4 secs Computing kpt #: 129 total cpu time spent up to now is 17.5 secs Computing kpt #: 130 total cpu time spent up to now is 17.7 secs Computing kpt #: 131 total cpu time spent up to now is 17.8 secs Computing kpt #: 132 total cpu time spent up to now is 17.9 secs Computing kpt #: 133 total cpu time spent up to now is 18.0 secs Computing kpt #: 134 total cpu time spent up to now is 18.2 secs Computing kpt #: 135 total cpu time spent up to now is 18.3 secs Computing kpt #: 136 total cpu time spent up to now is 18.4 secs Computing kpt #: 137 total cpu time spent up to now is 18.5 secs Computing kpt #: 138 total cpu time spent up to now is 18.6 secs Computing kpt #: 139 total cpu time spent up to now is 18.7 secs Computing kpt #: 140 total cpu time spent up to now is 18.9 secs Computing kpt #: 141 total cpu time spent up to now is 19.0 secs Computing kpt #: 142 total cpu time spent up to now is 19.1 secs Computing kpt #: 143 total cpu time spent up to now is 19.2 secs Computing kpt #: 144 total cpu time spent up to now is 19.4 secs Computing kpt #: 145 total cpu time spent up to now is 19.5 secs Computing kpt #: 146 total cpu time spent up to now is 19.6 secs Computing kpt #: 147 total cpu time spent up to now is 19.7 secs Computing kpt #: 148 total cpu time spent up to now is 19.9 secs Computing kpt #: 149 total cpu time spent up to now is 20.0 secs Computing kpt #: 150 total cpu time spent up to now is 20.1 secs Computing kpt #: 151 total cpu time spent up to now is 20.3 secs Computing kpt #: 152 total cpu time spent up to now is 20.4 secs Computing kpt #: 153 total cpu time spent up to now is 20.6 secs Computing kpt #: 154 total cpu time spent up to now is 20.7 secs Computing kpt #: 155 total cpu time spent up to now is 20.9 secs Computing kpt #: 156 total cpu time spent up to now is 21.0 secs Computing kpt #: 157 total cpu time spent up to now is 21.1 secs Computing kpt #: 158 total cpu time spent up to now is 21.3 secs Computing kpt #: 159 total cpu time spent up to now is 21.4 secs Computing kpt #: 160 total cpu time spent up to now is 21.6 secs Computing kpt #: 161 total cpu time spent up to now is 21.7 secs Computing kpt #: 162 total cpu time spent up to now is 21.8 secs Computing kpt #: 163 total cpu time spent up to now is 22.0 secs Computing kpt #: 164 total cpu time spent up to now is 22.1 secs Computing kpt #: 165 total cpu time spent up to now is 22.3 secs Computing kpt #: 166 total cpu time spent up to now is 22.4 secs Computing kpt #: 167 total cpu time spent up to now is 22.5 secs Computing kpt #: 168 total cpu time spent up to now is 22.7 secs Computing kpt #: 169 total cpu time spent up to now is 22.8 secs Computing kpt #: 170 total cpu time spent up to now is 22.9 secs Computing kpt #: 171 total cpu time spent up to now is 23.1 secs Computing kpt #: 172 total cpu time spent up to now is 23.2 secs Computing kpt #: 173 total cpu time spent up to now is 23.3 secs Computing kpt #: 174 total cpu time spent up to now is 23.5 secs Computing kpt #: 175 total cpu time spent up to now is 23.6 secs Computing kpt #: 176 total cpu time spent up to now is 23.7 secs Computing kpt #: 177 total cpu time spent up to now is 23.8 secs Computing kpt #: 178 total cpu time spent up to now is 23.9 secs Computing kpt #: 179 total cpu time spent up to now is 24.1 secs Computing kpt #: 180 total cpu time spent up to now is 24.2 secs Computing kpt #: 181 total cpu time spent up to now is 24.3 secs Computing kpt #: 182 total cpu time spent up to now is 24.4 secs Computing kpt #: 183 total cpu time spent up to now is 24.5 secs Computing kpt #: 184 total cpu time spent up to now is 24.6 secs Computing kpt #: 185 total cpu time spent up to now is 24.8 secs Computing kpt #: 186 total cpu time spent up to now is 24.9 secs Computing kpt #: 187 total cpu time spent up to now is 25.0 secs Computing kpt #: 188 total cpu time spent up to now is 25.1 secs Computing kpt #: 189 total cpu time spent up to now is 25.2 secs Computing kpt #: 190 total cpu time spent up to now is 25.3 secs Computing kpt #: 191 total cpu time spent up to now is 25.4 secs Computing kpt #: 192 total cpu time spent up to now is 25.6 secs Computing kpt #: 193 total cpu time spent up to now is 25.7 secs Computing kpt #: 194 total cpu time spent up to now is 25.8 secs Computing kpt #: 195 total cpu time spent up to now is 25.9 secs Computing kpt #: 196 total cpu time spent up to now is 26.0 secs Computing kpt #: 197 total cpu time spent up to now is 26.1 secs Computing kpt #: 198 total cpu time spent up to now is 26.3 secs Computing kpt #: 199 total cpu time spent up to now is 26.4 secs Computing kpt #: 200 total cpu time spent up to now is 26.5 secs Computing kpt #: 201 total cpu time spent up to now is 26.6 secs Computing kpt #: 202 total cpu time spent up to now is 26.7 secs Computing kpt #: 203 total cpu time spent up to now is 26.9 secs Computing kpt #: 204 total cpu time spent up to now is 27.0 secs Computing kpt #: 205 total cpu time spent up to now is 27.1 secs Computing kpt #: 206 total cpu time spent up to now is 27.3 secs Computing kpt #: 207 total cpu time spent up to now is 27.4 secs Computing kpt #: 208 total cpu time spent up to now is 27.5 secs Computing kpt #: 209 total cpu time spent up to now is 27.7 secs Computing kpt #: 210 total cpu time spent up to now is 27.8 secs Computing kpt #: 211 total cpu time spent up to now is 27.9 secs Computing kpt #: 212 total cpu time spent up to now is 28.1 secs Computing kpt #: 213 total cpu time spent up to now is 28.2 secs Computing kpt #: 214 total cpu time spent up to now is 28.3 secs Computing kpt #: 215 total cpu time spent up to now is 28.5 secs Computing kpt #: 216 total cpu time spent up to now is 28.6 secs Computing kpt #: 217 total cpu time spent up to now is 28.8 secs Computing kpt #: 218 total cpu time spent up to now is 28.9 secs Computing kpt #: 219 total cpu time spent up to now is 29.0 secs Computing kpt #: 220 total cpu time spent up to now is 29.2 secs Computing kpt #: 221 total cpu time spent up to now is 29.3 secs Computing kpt #: 222 total cpu time spent up to now is 29.4 secs Computing kpt #: 223 total cpu time spent up to now is 29.5 secs Computing kpt #: 224 total cpu time spent up to now is 29.6 secs Computing kpt #: 225 total cpu time spent up to now is 29.7 secs Computing kpt #: 226 total cpu time spent up to now is 29.9 secs Computing kpt #: 227 total cpu time spent up to now is 30.0 secs Computing kpt #: 228 total cpu time spent up to now is 30.1 secs Computing kpt #: 229 total cpu time spent up to now is 30.2 secs Computing kpt #: 230 total cpu time spent up to now is 30.3 secs Computing kpt #: 231 total cpu time spent up to now is 30.4 secs Computing kpt #: 232 total cpu time spent up to now is 30.5 secs Computing kpt #: 233 total cpu time spent up to now is 30.6 secs Computing kpt #: 234 total cpu time spent up to now is 30.7 secs Computing kpt #: 235 total cpu time spent up to now is 30.9 secs Computing kpt #: 236 total cpu time spent up to now is 31.0 secs Computing kpt #: 237 total cpu time spent up to now is 31.1 secs Computing kpt #: 238 total cpu time spent up to now is 31.2 secs Computing kpt #: 239 total cpu time spent up to now is 31.3 secs Computing kpt #: 240 total cpu time spent up to now is 31.4 secs Computing kpt #: 241 total cpu time spent up to now is 31.5 secs Computing kpt #: 242 total cpu time spent up to now is 31.6 secs Computing kpt #: 243 total cpu time spent up to now is 31.7 secs Computing kpt #: 244 total cpu time spent up to now is 31.8 secs Computing kpt #: 245 total cpu time spent up to now is 31.9 secs Computing kpt #: 246 total cpu time spent up to now is 32.0 secs Computing kpt #: 247 total cpu time spent up to now is 32.1 secs Computing kpt #: 248 total cpu time spent up to now is 32.2 secs Computing kpt #: 249 total cpu time spent up to now is 32.3 secs Computing kpt #: 250 total cpu time spent up to now is 32.5 secs Computing kpt #: 251 total cpu time spent up to now is 32.6 secs Computing kpt #: 252 total cpu time spent up to now is 32.7 secs Computing kpt #: 253 total cpu time spent up to now is 32.8 secs Computing kpt #: 254 total cpu time spent up to now is 32.9 secs Computing kpt #: 255 total cpu time spent up to now is 33.1 secs Computing kpt #: 256 total cpu time spent up to now is 33.2 secs Computing kpt #: 257 total cpu time spent up to now is 33.3 secs Computing kpt #: 258 total cpu time spent up to now is 33.5 secs Computing kpt #: 259 total cpu time spent up to now is 33.6 secs Computing kpt #: 260 total cpu time spent up to now is 33.7 secs Computing kpt #: 261 total cpu time spent up to now is 33.9 secs Computing kpt #: 262 total cpu time spent up to now is 34.0 secs Computing kpt #: 263 total cpu time spent up to now is 34.1 secs Computing kpt #: 264 total cpu time spent up to now is 34.2 secs Computing kpt #: 265 total cpu time spent up to now is 34.4 secs Computing kpt #: 266 total cpu time spent up to now is 34.5 secs Computing kpt #: 267 total cpu time spent up to now is 34.6 secs Computing kpt #: 268 total cpu time spent up to now is 34.7 secs Computing kpt #: 269 total cpu time spent up to now is 34.8 secs Computing kpt #: 270 total cpu time spent up to now is 34.9 secs Computing kpt #: 271 total cpu time spent up to now is 35.1 secs Computing kpt #: 272 total cpu time spent up to now is 35.2 secs Computing kpt #: 273 total cpu time spent up to now is 35.3 secs Computing kpt #: 274 total cpu time spent up to now is 35.4 secs Computing kpt #: 275 total cpu time spent up to now is 35.5 secs Computing kpt #: 276 total cpu time spent up to now is 35.6 secs Computing kpt #: 277 total cpu time spent up to now is 35.7 secs Computing kpt #: 278 total cpu time spent up to now is 35.8 secs Computing kpt #: 279 total cpu time spent up to now is 36.0 secs Computing kpt #: 280 total cpu time spent up to now is 36.1 secs Computing kpt #: 281 total cpu time spent up to now is 36.2 secs Computing kpt #: 282 total cpu time spent up to now is 36.3 secs Computing kpt #: 283 total cpu time spent up to now is 36.4 secs Computing kpt #: 284 total cpu time spent up to now is 36.6 secs Computing kpt #: 285 total cpu time spent up to now is 36.7 secs Computing kpt #: 286 total cpu time spent up to now is 36.9 secs Computing kpt #: 287 total cpu time spent up to now is 37.0 secs Computing kpt #: 288 total cpu time spent up to now is 37.1 secs Computing kpt #: 289 total cpu time spent up to now is 37.2 secs Computing kpt #: 290 total cpu time spent up to now is 37.4 secs Computing kpt #: 291 total cpu time spent up to now is 37.5 secs Computing kpt #: 292 total cpu time spent up to now is 37.6 secs Computing kpt #: 293 total cpu time spent up to now is 37.7 secs Computing kpt #: 294 total cpu time spent up to now is 37.8 secs Computing kpt #: 295 total cpu time spent up to now is 38.0 secs Computing kpt #: 296 total cpu time spent up to now is 38.1 secs Computing kpt #: 297 total cpu time spent up to now is 38.2 secs Computing kpt #: 298 total cpu time spent up to now is 38.3 secs Computing kpt #: 299 total cpu time spent up to now is 38.5 secs Computing kpt #: 300 total cpu time spent up to now is 38.6 secs Computing kpt #: 301 total cpu time spent up to now is 38.7 secs Computing kpt #: 302 total cpu time spent up to now is 38.9 secs Computing kpt #: 303 total cpu time spent up to now is 39.0 secs Computing kpt #: 304 total cpu time spent up to now is 39.1 secs Computing kpt #: 305 total cpu time spent up to now is 39.3 secs Computing kpt #: 306 total cpu time spent up to now is 39.4 secs Computing kpt #: 307 total cpu time spent up to now is 39.5 secs Computing kpt #: 308 total cpu time spent up to now is 39.6 secs Computing kpt #: 309 total cpu time spent up to now is 39.7 secs Computing kpt #: 310 total cpu time spent up to now is 39.9 secs Computing kpt #: 311 total cpu time spent up to now is 40.0 secs Computing kpt #: 312 total cpu time spent up to now is 40.1 secs Computing kpt #: 313 total cpu time spent up to now is 40.2 secs Computing kpt #: 314 total cpu time spent up to now is 40.3 secs Computing kpt #: 315 total cpu time spent up to now is 40.4 secs Computing kpt #: 316 total cpu time spent up to now is 40.5 secs Computing kpt #: 317 total cpu time spent up to now is 40.6 secs Computing kpt #: 318 total cpu time spent up to now is 40.7 secs Computing kpt #: 319 total cpu time spent up to now is 40.8 secs Computing kpt #: 320 total cpu time spent up to now is 41.0 secs Computing kpt #: 321 total cpu time spent up to now is 41.1 secs Computing kpt #: 322 total cpu time spent up to now is 41.2 secs Computing kpt #: 323 total cpu time spent up to now is 41.3 secs Computing kpt #: 324 total cpu time spent up to now is 41.4 secs Computing kpt #: 325 total cpu time spent up to now is 41.5 secs Computing kpt #: 326 total cpu time spent up to now is 41.6 secs Computing kpt #: 327 total cpu time spent up to now is 41.7 secs Computing kpt #: 328 total cpu time spent up to now is 41.8 secs Computing kpt #: 329 total cpu time spent up to now is 41.9 secs Computing kpt #: 330 total cpu time spent up to now is 42.0 secs Computing kpt #: 331 total cpu time spent up to now is 42.2 secs Computing kpt #: 332 total cpu time spent up to now is 42.3 secs Computing kpt #: 333 total cpu time spent up to now is 42.4 secs Computing kpt #: 334 total cpu time spent up to now is 42.5 secs Computing kpt #: 335 total cpu time spent up to now is 42.6 secs Computing kpt #: 336 total cpu time spent up to now is 42.8 secs Computing kpt #: 337 total cpu time spent up to now is 42.9 secs Computing kpt #: 338 total cpu time spent up to now is 43.0 secs Computing kpt #: 339 total cpu time spent up to now is 43.2 secs Computing kpt #: 340 total cpu time spent up to now is 43.3 secs Computing kpt #: 341 total cpu time spent up to now is 43.4 secs Computing kpt #: 342 total cpu time spent up to now is 43.5 secs Computing kpt #: 343 total cpu time spent up to now is 43.6 secs Computing kpt #: 344 total cpu time spent up to now is 43.8 secs Computing kpt #: 345 total cpu time spent up to now is 43.9 secs Computing kpt #: 346 total cpu time spent up to now is 44.0 secs Computing kpt #: 347 total cpu time spent up to now is 44.1 secs Computing kpt #: 348 total cpu time spent up to now is 44.2 secs Computing kpt #: 349 total cpu time spent up to now is 44.3 secs Computing kpt #: 350 total cpu time spent up to now is 44.4 secs Computing kpt #: 351 total cpu time spent up to now is 44.5 secs Computing kpt #: 352 total cpu time spent up to now is 44.7 secs Computing kpt #: 353 total cpu time spent up to now is 44.8 secs Computing kpt #: 354 total cpu time spent up to now is 44.9 secs Computing kpt #: 355 total cpu time spent up to now is 45.0 secs Computing kpt #: 356 total cpu time spent up to now is 45.1 secs Computing kpt #: 357 total cpu time spent up to now is 45.2 secs Computing kpt #: 358 total cpu time spent up to now is 45.3 secs Computing kpt #: 359 total cpu time spent up to now is 45.4 secs Computing kpt #: 360 total cpu time spent up to now is 45.5 secs Computing kpt #: 361 total cpu time spent up to now is 45.7 secs Computing kpt #: 362 total cpu time spent up to now is 45.8 secs Computing kpt #: 363 total cpu time spent up to now is 45.9 secs Computing kpt #: 364 total cpu time spent up to now is 46.0 secs Computing kpt #: 365 total cpu time spent up to now is 46.1 secs Computing kpt #: 366 total cpu time spent up to now is 46.2 secs Computing kpt #: 367 total cpu time spent up to now is 46.3 secs Computing kpt #: 368 total cpu time spent up to now is 46.4 secs Computing kpt #: 369 total cpu time spent up to now is 46.5 secs Computing kpt #: 370 total cpu time spent up to now is 46.6 secs Computing kpt #: 371 total cpu time spent up to now is 46.8 secs Computing kpt #: 372 total cpu time spent up to now is 46.9 secs Computing kpt #: 373 total cpu time spent up to now is 47.0 secs Computing kpt #: 374 total cpu time spent up to now is 47.1 secs Computing kpt #: 375 total cpu time spent up to now is 47.2 secs Computing kpt #: 376 total cpu time spent up to now is 47.3 secs Computing kpt #: 377 total cpu time spent up to now is 47.4 secs Computing kpt #: 378 total cpu time spent up to now is 47.5 secs Computing kpt #: 379 total cpu time spent up to now is 47.6 secs Computing kpt #: 380 total cpu time spent up to now is 47.7 secs Computing kpt #: 381 total cpu time spent up to now is 47.8 secs Computing kpt #: 382 total cpu time spent up to now is 47.9 secs Computing kpt #: 383 total cpu time spent up to now is 48.0 secs Computing kpt #: 384 total cpu time spent up to now is 48.1 secs Computing kpt #: 385 total cpu time spent up to now is 48.2 secs Computing kpt #: 386 total cpu time spent up to now is 48.3 secs Computing kpt #: 387 total cpu time spent up to now is 48.4 secs Computing kpt #: 388 total cpu time spent up to now is 48.6 secs Computing kpt #: 389 total cpu time spent up to now is 48.7 secs Computing kpt #: 390 total cpu time spent up to now is 48.8 secs Computing kpt #: 391 total cpu time spent up to now is 48.9 secs Computing kpt #: 392 total cpu time spent up to now is 49.0 secs Computing kpt #: 393 total cpu time spent up to now is 49.1 secs Computing kpt #: 394 total cpu time spent up to now is 49.2 secs Computing kpt #: 395 total cpu time spent up to now is 49.4 secs Computing kpt #: 396 total cpu time spent up to now is 49.5 secs Computing kpt #: 397 total cpu time spent up to now is 49.6 secs Computing kpt #: 398 total cpu time spent up to now is 49.7 secs Computing kpt #: 399 total cpu time spent up to now is 49.9 secs Computing kpt #: 400 total cpu time spent up to now is 50.0 secs Computing kpt #: 401 total cpu time spent up to now is 50.1 secs Computing kpt #: 402 total cpu time spent up to now is 50.3 secs Computing kpt #: 403 total cpu time spent up to now is 50.4 secs Computing kpt #: 404 total cpu time spent up to now is 50.5 secs Computing kpt #: 405 total cpu time spent up to now is 50.7 secs Computing kpt #: 406 total cpu time spent up to now is 50.8 secs Computing kpt #: 407 total cpu time spent up to now is 50.9 secs Computing kpt #: 408 total cpu time spent up to now is 51.1 secs Computing kpt #: 409 total cpu time spent up to now is 51.2 secs Computing kpt #: 410 total cpu time spent up to now is 51.4 secs Computing kpt #: 411 total cpu time spent up to now is 51.5 secs Computing kpt #: 412 total cpu time spent up to now is 51.7 secs Computing kpt #: 413 total cpu time spent up to now is 51.8 secs Computing kpt #: 414 total cpu time spent up to now is 51.9 secs Computing kpt #: 415 total cpu time spent up to now is 52.1 secs Computing kpt #: 416 total cpu time spent up to now is 52.2 secs Computing kpt #: 417 total cpu time spent up to now is 52.3 secs Computing kpt #: 418 total cpu time spent up to now is 52.5 secs Computing kpt #: 419 total cpu time spent up to now is 52.6 secs Computing kpt #: 420 total cpu time spent up to now is 52.8 secs Computing kpt #: 421 total cpu time spent up to now is 52.9 secs Computing kpt #: 422 total cpu time spent up to now is 53.0 secs Computing kpt #: 423 total cpu time spent up to now is 53.2 secs Computing kpt #: 424 total cpu time spent up to now is 53.3 secs Computing kpt #: 425 total cpu time spent up to now is 53.5 secs Computing kpt #: 426 total cpu time spent up to now is 53.6 secs Computing kpt #: 427 total cpu time spent up to now is 53.7 secs Computing kpt #: 428 total cpu time spent up to now is 53.9 secs Computing kpt #: 429 total cpu time spent up to now is 54.0 secs Computing kpt #: 430 total cpu time spent up to now is 54.1 secs Computing kpt #: 431 total cpu time spent up to now is 54.3 secs Computing kpt #: 432 total cpu time spent up to now is 54.4 secs Computing kpt #: 433 total cpu time spent up to now is 54.6 secs Computing kpt #: 434 total cpu time spent up to now is 54.7 secs Computing kpt #: 435 total cpu time spent up to now is 54.8 secs Computing kpt #: 436 total cpu time spent up to now is 54.9 secs Computing kpt #: 437 total cpu time spent up to now is 55.1 secs Computing kpt #: 438 total cpu time spent up to now is 55.2 secs Computing kpt #: 439 total cpu time spent up to now is 55.3 secs Computing kpt #: 440 total cpu time spent up to now is 55.5 secs Computing kpt #: 441 total cpu time spent up to now is 55.6 secs Computing kpt #: 442 total cpu time spent up to now is 55.7 secs Computing kpt #: 443 total cpu time spent up to now is 55.9 secs Computing kpt #: 444 total cpu time spent up to now is 56.0 secs Computing kpt #: 445 total cpu time spent up to now is 56.1 secs Computing kpt #: 446 total cpu time spent up to now is 56.2 secs Computing kpt #: 447 total cpu time spent up to now is 56.4 secs Computing kpt #: 448 total cpu time spent up to now is 56.5 secs Computing kpt #: 449 total cpu time spent up to now is 56.6 secs Computing kpt #: 450 total cpu time spent up to now is 56.8 secs Computing kpt #: 451 total cpu time spent up to now is 56.9 secs Computing kpt #: 452 total cpu time spent up to now is 57.1 secs Computing kpt #: 453 total cpu time spent up to now is 57.2 secs Computing kpt #: 454 total cpu time spent up to now is 57.3 secs Computing kpt #: 455 total cpu time spent up to now is 57.4 secs Computing kpt #: 456 total cpu time spent up to now is 57.6 secs Computing kpt #: 457 total cpu time spent up to now is 57.7 secs Computing kpt #: 458 total cpu time spent up to now is 57.8 secs Computing kpt #: 459 total cpu time spent up to now is 58.0 secs Computing kpt #: 460 total cpu time spent up to now is 58.1 secs Computing kpt #: 461 total cpu time spent up to now is 58.2 secs Computing kpt #: 462 total cpu time spent up to now is 58.3 secs Computing kpt #: 463 total cpu time spent up to now is 58.5 secs Computing kpt #: 464 total cpu time spent up to now is 58.6 secs Computing kpt #: 465 total cpu time spent up to now is 58.7 secs Computing kpt #: 466 total cpu time spent up to now is 58.9 secs Computing kpt #: 467 total cpu time spent up to now is 59.0 secs Computing kpt #: 468 total cpu time spent up to now is 59.1 secs Computing kpt #: 469 total cpu time spent up to now is 59.3 secs Computing kpt #: 470 total cpu time spent up to now is 59.4 secs Computing kpt #: 471 total cpu time spent up to now is 59.5 secs Computing kpt #: 472 total cpu time spent up to now is 59.6 secs Computing kpt #: 473 total cpu time spent up to now is 59.8 secs Computing kpt #: 474 total cpu time spent up to now is 59.9 secs Computing kpt #: 475 total cpu time spent up to now is 60.0 secs Computing kpt #: 476 total cpu time spent up to now is 60.2 secs Computing kpt #: 477 total cpu time spent up to now is 60.3 secs Computing kpt #: 478 total cpu time spent up to now is 60.4 secs Computing kpt #: 479 total cpu time spent up to now is 60.6 secs Computing kpt #: 480 total cpu time spent up to now is 60.7 secs Computing kpt #: 481 total cpu time spent up to now is 60.8 secs Computing kpt #: 482 total cpu time spent up to now is 61.0 secs Computing kpt #: 483 total cpu time spent up to now is 61.1 secs Computing kpt #: 484 total cpu time spent up to now is 61.2 secs Computing kpt #: 485 total cpu time spent up to now is 61.4 secs Computing kpt #: 486 total cpu time spent up to now is 61.5 secs Computing kpt #: 487 total cpu time spent up to now is 61.6 secs Computing kpt #: 488 total cpu time spent up to now is 61.8 secs Computing kpt #: 489 total cpu time spent up to now is 61.9 secs Computing kpt #: 490 total cpu time spent up to now is 62.0 secs Computing kpt #: 491 total cpu time spent up to now is 62.2 secs Computing kpt #: 492 total cpu time spent up to now is 62.3 secs Computing kpt #: 493 total cpu time spent up to now is 62.4 secs Computing kpt #: 494 total cpu time spent up to now is 62.6 secs Computing kpt #: 495 total cpu time spent up to now is 62.7 secs Computing kpt #: 496 total cpu time spent up to now is 62.8 secs Computing kpt #: 497 total cpu time spent up to now is 63.0 secs Computing kpt #: 498 total cpu time spent up to now is 63.1 secs Computing kpt #: 499 total cpu time spent up to now is 63.2 secs Computing kpt #: 500 total cpu time spent up to now is 63.4 secs Computing kpt #: 501 total cpu time spent up to now is 63.6 secs Computing kpt #: 502 total cpu time spent up to now is 63.7 secs Computing kpt #: 503 total cpu time spent up to now is 63.8 secs Computing kpt #: 504 total cpu time spent up to now is 63.9 secs Computing kpt #: 505 total cpu time spent up to now is 64.0 secs Computing kpt #: 506 total cpu time spent up to now is 64.2 secs Computing kpt #: 507 total cpu time spent up to now is 64.3 secs Computing kpt #: 508 total cpu time spent up to now is 64.4 secs Computing kpt #: 509 total cpu time spent up to now is 64.5 secs Computing kpt #: 510 total cpu time spent up to now is 64.6 secs Computing kpt #: 511 total cpu time spent up to now is 64.8 secs Computing kpt #: 512 total cpu time spent up to now is 64.9 secs Computing kpt #: 513 total cpu time spent up to now is 65.0 secs Computing kpt #: 514 total cpu time spent up to now is 65.1 secs Computing kpt #: 515 total cpu time spent up to now is 65.2 secs Computing kpt #: 516 total cpu time spent up to now is 65.3 secs Computing kpt #: 517 total cpu time spent up to now is 65.4 secs Computing kpt #: 518 total cpu time spent up to now is 65.5 secs Computing kpt #: 519 total cpu time spent up to now is 65.6 secs Computing kpt #: 520 total cpu time spent up to now is 65.7 secs Computing kpt #: 521 total cpu time spent up to now is 65.8 secs Computing kpt #: 522 total cpu time spent up to now is 65.9 secs Computing kpt #: 523 total cpu time spent up to now is 66.0 secs Computing kpt #: 524 total cpu time spent up to now is 66.0 secs Computing kpt #: 525 total cpu time spent up to now is 66.2 secs Computing kpt #: 526 total cpu time spent up to now is 66.3 secs Computing kpt #: 527 total cpu time spent up to now is 66.4 secs Computing kpt #: 528 total cpu time spent up to now is 66.4 secs Computing kpt #: 529 total cpu time spent up to now is 66.5 secs Computing kpt #: 530 total cpu time spent up to now is 66.6 secs Computing kpt #: 531 total cpu time spent up to now is 66.7 secs Computing kpt #: 532 total cpu time spent up to now is 66.8 secs Computing kpt #: 533 total cpu time spent up to now is 66.9 secs Computing kpt #: 534 total cpu time spent up to now is 67.1 secs Computing kpt #: 535 total cpu time spent up to now is 67.2 secs Computing kpt #: 536 total cpu time spent up to now is 67.3 secs Computing kpt #: 537 total cpu time spent up to now is 67.4 secs Computing kpt #: 538 total cpu time spent up to now is 67.5 secs Computing kpt #: 539 total cpu time spent up to now is 67.6 secs Computing kpt #: 540 total cpu time spent up to now is 67.7 secs Computing kpt #: 541 total cpu time spent up to now is 67.9 secs Computing kpt #: 542 total cpu time spent up to now is 68.0 secs Computing kpt #: 543 total cpu time spent up to now is 68.1 secs Computing kpt #: 544 total cpu time spent up to now is 68.2 secs Computing kpt #: 545 total cpu time spent up to now is 68.3 secs Computing kpt #: 546 total cpu time spent up to now is 68.5 secs Computing kpt #: 547 total cpu time spent up to now is 68.6 secs Computing kpt #: 548 total cpu time spent up to now is 68.7 secs Computing kpt #: 549 total cpu time spent up to now is 68.8 secs Computing kpt #: 550 total cpu time spent up to now is 69.0 secs Computing kpt #: 551 total cpu time spent up to now is 69.1 secs Computing kpt #: 552 total cpu time spent up to now is 69.2 secs ethr = 3.85E-08, avg # of iterations = 11.5 total cpu time spent up to now is 69.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3433 -5.3433 -5.3113 -5.3113 -5.2825 -5.2825 -4.8554 -4.8554 -4.8414 -4.8414 -4.8200 -4.8200 -4.7873 -4.7873 -4.7188 -4.7188 -4.6018 -4.6018 -1.3402 -1.3402 7.6367 7.6367 8.3330 8.3330 12.8095 12.8095 16.4825 16.4825 17.7441 17.7441 18.6657 18.6657 k = 0.0045 0.0127-0.0000 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3433 -5.3433 -5.3112 -5.3112 -5.2824 -5.2824 -4.8554 -4.8554 -4.8415 -4.8415 -4.8200 -4.8200 -4.7874 -4.7874 -4.7188 -4.7188 -4.6018 -4.6018 -1.3387 -1.3387 7.6381 7.6381 8.3343 8.3343 12.8110 12.8110 16.4836 16.4836 17.7101 17.7101 18.6346 18.6346 k = 0.0091 0.0255-0.0000 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3431 -5.3431 -5.3110 -5.3110 -5.2822 -5.2822 -4.8554 -4.8554 -4.8416 -4.8416 -4.8200 -4.8200 -4.7875 -4.7875 -4.7189 -4.7189 -4.6019 -4.6019 -1.3342 -1.3342 7.6425 7.6425 8.3380 8.3380 12.8157 12.8157 16.4869 16.4869 17.6130 17.6130 18.5452 18.5452 k = 0.0136 0.0382-0.0000 ( 1261 PWs) bands (ev): -5.3471 -5.3471 -5.3428 -5.3428 -5.3106 -5.3106 -5.2818 -5.2818 -4.8553 -4.8553 -4.8419 -4.8419 -4.8200 -4.8200 -4.7877 -4.7877 -4.7191 -4.7191 -4.6021 -4.6021 -1.3267 -1.3267 7.6498 7.6498 8.3443 8.3443 12.8234 12.8234 16.4923 16.4923 17.4648 17.4648 18.4069 18.4069 k = 0.0182 0.0510-0.0000 ( 1261 PWs) bands (ev): -5.3470 -5.3470 -5.3423 -5.3423 -5.3101 -5.3101 -5.2812 -5.2812 -4.8552 -4.8552 -4.8423 -4.8423 -4.8200 -4.8200 -4.7880 -4.7880 -4.7193 -4.7193 -4.6024 -4.6024 -1.3162 -1.3162 7.6599 7.6599 8.3530 8.3530 12.8343 12.8343 16.4994 16.4994 17.2791 17.2791 18.2312 18.2312 k = 0.0227 0.0637-0.0000 ( 1261 PWs) bands (ev): -5.3470 -5.3470 -5.3418 -5.3418 -5.3094 -5.3094 -5.2804 -5.2804 -4.8551 -4.8551 -4.8427 -4.8427 -4.8199 -4.8199 -4.7883 -4.7883 -4.7197 -4.7197 -4.6028 -4.6028 -1.3027 -1.3027 7.6729 7.6729 8.3643 8.3643 12.8482 12.8482 16.5071 16.5071 17.0683 17.0683 18.0283 18.0283 k = 0.0273 0.0765-0.0000 ( 1261 PWs) bands (ev): -5.3469 -5.3469 -5.3411 -5.3411 -5.3086 -5.3086 -5.2795 -5.2795 -4.8550 -4.8550 -4.8433 -4.8433 -4.8199 -4.8199 -4.7887 -4.7887 -4.7200 -4.7200 -4.6032 -4.6032 -1.2862 -1.2862 7.6888 7.6888 8.3781 8.3781 12.8652 12.8652 16.5112 16.5112 16.8450 16.8450 17.8063 17.8063 k = 0.0318 0.0892-0.0000 ( 1261 PWs) bands (ev): -5.3468 -5.3468 -5.3404 -5.3404 -5.3076 -5.3076 -5.2784 -5.2784 -4.8548 -4.8548 -4.8439 -4.8439 -4.8199 -4.8199 -4.7892 -4.7892 -4.7204 -4.7204 -4.6037 -4.6037 -1.2667 -1.2667 7.7075 7.7075 8.3943 8.3943 12.8853 12.8853 16.4780 16.4780 16.6488 16.6488 17.5709 17.5709 k = 0.0364 0.1019-0.0000 ( 1265 PWs) bands (ev): -5.3466 -5.3466 -5.3397 -5.3397 -5.3065 -5.3065 -5.2773 -5.2773 -4.8547 -4.8547 -4.8446 -4.8446 -4.8198 -4.8198 -4.7897 -4.7897 -4.7210 -4.7210 -4.6043 -4.6043 -1.2442 -1.2442 7.7290 7.7290 8.4131 8.4131 12.9085 12.9085 16.2954 16.2954 16.5956 16.5956 17.3264 17.3264 k = 0.0409 0.1147-0.0000 ( 1261 PWs) bands (ev): -5.3465 -5.3465 -5.3388 -5.3388 -5.3053 -5.3053 -5.2759 -5.2759 -4.8545 -4.8545 -4.8452 -4.8452 -4.8197 -4.8197 -4.7902 -4.7902 -4.7215 -4.7215 -4.6049 -4.6049 -1.2186 -1.2186 7.7532 7.7532 8.4344 8.4344 12.9346 12.9346 16.0478 16.0478 16.6044 16.6044 17.0760 17.0760 k = 0.0455 0.1274-0.0000 ( 1261 PWs) bands (ev): -5.3462 -5.3462 -5.3379 -5.3379 -5.3039 -5.3039 -5.2745 -5.2745 -4.8544 -4.8544 -4.8460 -4.8460 -4.8196 -4.8196 -4.7907 -4.7907 -4.7222 -4.7222 -4.6056 -4.6056 -1.1901 -1.1901 7.7801 7.7801 8.4581 8.4581 12.9638 12.9638 15.7879 15.7879 16.6239 16.6239 16.8218 16.8218 k = 0.0500 0.1402-0.0000 ( 1257 PWs) bands (ev): -5.3460 -5.3460 -5.3369 -5.3369 -5.3025 -5.3025 -5.2729 -5.2729 -4.8544 -4.8544 -4.8467 -4.8467 -4.8194 -4.8194 -4.7912 -4.7912 -4.7229 -4.7229 -4.6063 -4.6063 -1.1585 -1.1585 7.8096 7.8096 8.4843 8.4843 12.9960 12.9960 15.5235 15.5235 16.5644 16.5644 16.6493 16.6493 k = 0.0545 0.1529-0.0000 ( 1259 PWs) bands (ev): -5.3457 -5.3457 -5.3359 -5.3359 -5.3011 -5.3011 -5.2713 -5.2713 -4.8545 -4.8545 -4.8474 -4.8474 -4.8193 -4.8193 -4.7917 -4.7917 -4.7237 -4.7237 -4.6070 -4.6070 -1.1239 -1.1239 7.8417 7.8417 8.5131 8.5131 13.0312 13.0312 15.2569 15.2569 16.3071 16.3071 16.6768 16.6768 k = 0.0591 0.1657-0.0000 ( 1263 PWs) bands (ev): -5.3454 -5.3454 -5.3348 -5.3348 -5.2996 -5.2996 -5.2696 -5.2696 -4.8548 -4.8548 -4.8480 -4.8480 -4.8191 -4.8191 -4.7922 -4.7922 -4.7245 -4.7245 -4.6079 -4.6079 -1.0863 -1.0863 7.8763 7.8763 8.5442 8.5442 13.0693 13.0693 14.9894 14.9894 16.0494 16.0494 16.7077 16.7077 k = 0.0636 0.1784-0.0000 ( 1259 PWs) bands (ev): -5.3450 -5.3450 -5.3337 -5.3337 -5.2980 -5.2980 -5.2679 -5.2679 -4.8553 -4.8553 -4.8483 -4.8483 -4.8187 -4.8187 -4.7927 -4.7927 -4.7254 -4.7254 -4.6087 -4.6087 -1.0456 -1.0456 7.9133 7.9133 8.5779 8.5779 13.1102 13.1102 14.7220 14.7220 15.7923 15.7923 16.7414 16.7414 k = 0.0682 0.1911-0.0000 ( 1259 PWs) bands (ev): -5.3447 -5.3447 -5.3325 -5.3325 -5.2964 -5.2964 -5.2661 -5.2661 -4.8560 -4.8560 -4.8484 -4.8484 -4.8184 -4.8184 -4.7931 -4.7931 -4.7263 -4.7263 -4.6096 -4.6096 -1.0020 -1.0020 7.9525 7.9525 8.6139 8.6139 13.1539 13.1539 14.4552 14.4552 15.5364 15.5364 16.7779 16.7779 k = 0.0727 0.2039-0.0000 ( 1255 PWs) bands (ev): -5.3443 -5.3443 -5.3313 -5.3313 -5.2947 -5.2947 -5.2643 -5.2643 -4.8571 -4.8571 -4.8483 -4.8483 -4.8179 -4.8179 -4.7934 -4.7934 -4.7272 -4.7272 -4.6105 -4.6105 -0.9552 -0.9552 7.9940 7.9940 8.6524 8.6524 13.2002 13.2002 14.1899 14.1899 15.2822 15.2822 16.8171 16.8171 k = 0.0773 0.2166-0.0000 ( 1255 PWs) bands (ev): -5.3438 -5.3438 -5.3301 -5.3301 -5.2930 -5.2930 -5.2626 -5.2626 -4.8583 -4.8583 -4.8480 -4.8480 -4.8173 -4.8173 -4.7937 -4.7937 -4.7282 -4.7282 -4.6114 -4.6114 -0.9055 -0.9055 8.0375 8.0375 8.6932 8.6932 13.2484 13.2484 13.9268 13.9268 15.0302 15.0302 16.8589 16.8589 k = 0.0818 0.2294-0.0000 ( 1255 PWs) bands (ev): -5.3434 -5.3434 -5.3289 -5.3289 -5.2913 -5.2913 -5.2609 -5.2609 -4.8598 -4.8598 -4.8476 -4.8476 -4.8166 -4.8166 -4.7939 -4.7939 -4.7292 -4.7292 -4.6124 -4.6124 -0.8527 -0.8527 8.0828 8.0828 8.7364 8.7364 13.2964 13.2964 13.6685 13.6685 14.7808 14.7808 16.9033 16.9033 k = 0.0864 0.2421-0.0000 ( 1253 PWs) bands (ev): -5.3430 -5.3430 -5.3277 -5.3277 -5.2897 -5.2897 -5.2592 -5.2592 -4.8613 -4.8613 -4.8471 -4.8471 -4.8157 -4.8157 -4.7941 -4.7941 -4.7303 -4.7303 -4.6134 -4.6134 -0.7969 -0.7969 8.1298 8.1298 8.7818 8.7818 13.3152 13.3152 13.4442 13.4442 14.5345 14.5345 16.9504 16.9504 k = 0.0909 0.2549-0.0000 ( 1253 PWs) bands (ev): -5.3425 -5.3425 -5.3264 -5.3264 -5.2880 -5.2880 -5.2577 -5.2577 -4.8631 -4.8631 -4.8466 -4.8466 -4.8147 -4.8147 -4.7941 -4.7941 -4.7313 -4.7313 -4.6144 -4.6144 -0.7380 -0.7380 8.1783 8.1783 8.8293 8.8293 13.1244 13.1244 13.4347 13.4347 14.2916 14.2916 17.0000 17.0000 k = 0.0955 0.2676-0.0000 ( 1251 PWs) bands (ev): -5.3420 -5.3420 -5.3252 -5.3252 -5.2864 -5.2864 -5.2563 -5.2563 -4.8648 -4.8648 -4.8460 -4.8460 -4.8136 -4.8136 -4.7940 -4.7940 -4.7324 -4.7324 -4.6154 -4.6154 -0.6761 -0.6761 8.2279 8.2279 8.8789 8.8789 12.8745 12.8745 13.4894 13.4894 14.0524 14.0524 17.0522 17.0522 k = 0.1000 0.2803-0.0000 ( 1251 PWs) bands (ev): -5.3415 -5.3415 -5.3239 -5.3239 -5.2849 -5.2849 -5.2549 -5.2549 -4.8667 -4.8667 -4.8454 -4.8454 -4.8123 -4.8123 -4.7939 -4.7939 -4.7334 -4.7334 -4.6164 -4.6164 -0.6112 -0.6112 8.2783 8.2783 8.9303 8.9303 12.6231 12.6231 13.5513 13.5513 13.8175 13.8175 17.1071 17.1071 k = 0.1045 0.2931-0.0000 ( 1251 PWs) bands (ev): -5.3410 -5.3410 -5.3227 -5.3227 -5.2834 -5.2834 -5.2538 -5.2538 -4.8687 -4.8687 -4.8447 -4.8447 -4.8108 -4.8108 -4.7937 -4.7937 -4.7343 -4.7343 -4.6175 -4.6175 -0.5432 -0.5432 8.3293 8.3293 8.9834 8.9834 12.3737 12.3737 13.5873 13.5873 13.6171 13.6171 17.1646 17.1646 k = 0.1091 0.3058-0.0000 ( 1256 PWs) bands (ev): -5.3405 -5.3405 -5.3214 -5.3214 -5.2820 -5.2820 -5.2528 -5.2528 -4.8708 -4.8708 -4.8441 -4.8441 -4.8093 -4.8093 -4.7933 -4.7933 -4.7353 -4.7353 -4.6185 -4.6185 -0.4722 -0.4722 8.3802 8.3802 9.0379 9.0379 12.1274 12.1274 13.3623 13.3623 13.6859 13.6859 17.2245 17.2245 k = 0.1136 0.3186-0.0000 ( 1246 PWs) bands (ev): -5.3399 -5.3399 -5.3201 -5.3201 -5.2805 -5.2805 -5.2518 -5.2518 -4.8728 -4.8728 -4.8434 -4.8434 -4.8075 -4.8075 -4.7928 -4.7928 -4.7361 -4.7361 -4.6196 -4.6196 -0.3982 -0.3982 8.4306 8.4306 9.0931 9.0931 11.8852 11.8852 13.1434 13.1434 13.7576 13.7576 17.2873 17.2873 k = 0.1182 0.3313-0.0000 ( 1250 PWs) bands (ev): -5.3394 -5.3394 -5.3189 -5.3189 -5.2793 -5.2793 -5.2511 -5.2511 -4.8749 -4.8749 -4.8428 -4.8428 -4.8057 -4.8057 -4.7922 -4.7922 -4.7369 -4.7369 -4.6206 -4.6206 -0.3212 -0.3212 8.4798 8.4798 9.1485 9.1485 11.6478 11.6478 12.9310 12.9310 13.8319 13.8319 17.3526 17.3526 k = 0.1227 0.3440-0.0000 ( 1250 PWs) bands (ev): -5.3388 -5.3388 -5.3176 -5.3176 -5.2781 -5.2781 -5.2506 -5.2506 -4.8771 -4.8771 -4.8422 -4.8422 -4.8038 -4.8038 -4.7915 -4.7915 -4.7375 -4.7375 -4.6216 -4.6216 -0.2411 -0.2411 8.5269 8.5269 9.2031 9.2031 11.4163 11.4163 12.7261 12.7261 13.9088 13.9088 17.4205 17.4205 k = 0.1273 0.3568-0.0000 ( 1238 PWs) bands (ev): -5.3382 -5.3382 -5.3164 -5.3164 -5.2769 -5.2769 -5.2501 -5.2501 -4.8791 -4.8791 -4.8416 -4.8416 -4.8019 -4.8019 -4.7906 -4.7906 -4.7379 -4.7379 -4.6226 -4.6226 -0.1581 -0.1581 8.5711 8.5711 9.2551 9.2551 11.1927 11.1927 12.5297 12.5297 13.9882 13.9882 17.4912 17.4912 k = 0.1318 0.3695-0.0000 ( 1240 PWs) bands (ev): -5.3377 -5.3377 -5.3151 -5.3151 -5.2759 -5.2759 -5.2498 -5.2498 -4.8813 -4.8813 -4.8411 -4.8411 -4.8000 -4.8000 -4.7897 -4.7897 -4.7381 -4.7381 -4.6237 -4.6237 -0.0721 -0.0721 8.6110 8.6110 9.3018 9.3018 10.9795 10.9795 12.3430 12.3430 14.0700 14.0700 17.5643 17.5643 k = 0.1364 0.3823-0.0000 ( 1240 PWs) bands (ev): -5.3371 -5.3371 -5.3139 -5.3139 -5.2750 -5.2750 -5.2497 -5.2497 -4.8834 -4.8834 -4.8406 -4.8406 -4.7982 -4.7982 -4.7887 -4.7887 -4.7382 -4.7382 -4.6247 -4.6247 0.0169 0.0169 8.6453 8.6453 9.3390 9.3390 10.7812 10.7812 12.1676 12.1676 14.1541 14.1541 17.6401 17.6401 k = 0.1409 0.3950-0.0000 ( 1240 PWs) bands (ev): -5.3366 -5.3366 -5.3127 -5.3127 -5.2743 -5.2743 -5.2497 -5.2497 -4.8855 -4.8855 -4.8401 -4.8401 -4.7964 -4.7964 -4.7877 -4.7877 -4.7379 -4.7379 -4.6257 -4.6257 0.1089 0.1089 8.6725 8.6725 9.3594 9.3594 10.6052 10.6052 12.0049 12.0049 14.2405 14.2405 17.7186 17.7186 k = 0.1454 0.4078-0.0000 ( 1242 PWs) bands (ev): -5.3361 -5.3361 -5.3116 -5.3116 -5.2737 -5.2737 -5.2499 -5.2499 -4.8876 -4.8876 -4.8396 -4.8396 -4.7948 -4.7948 -4.7866 -4.7866 -4.7374 -4.7374 -4.6267 -4.6267 0.2038 0.2038 8.6905 8.6905 9.3524 9.3524 10.4619 10.4619 11.8570 11.8570 14.3291 14.3291 17.7996 17.7996 k = 0.1500 0.4205-0.0000 ( 1242 PWs) bands (ev): -5.3355 -5.3355 -5.3105 -5.3105 -5.2732 -5.2732 -5.2501 -5.2501 -4.8896 -4.8896 -4.8392 -4.8392 -4.7932 -4.7932 -4.7856 -4.7856 -4.7365 -4.7365 -4.6276 -4.6276 0.3016 0.3016 8.6975 8.6975 9.3062 9.3062 10.3635 10.3635 11.7258 11.7258 14.4198 14.4198 17.8833 17.8833 k = 0.1545 0.4332-0.0000 ( 1242 PWs) bands (ev): -5.3350 -5.3350 -5.3094 -5.3094 -5.2728 -5.2728 -5.2504 -5.2504 -4.8916 -4.8916 -4.8388 -4.8388 -4.7917 -4.7917 -4.7847 -4.7847 -4.7352 -4.7352 -4.6286 -4.6286 0.4022 0.4022 8.6915 8.6915 9.2146 9.2146 10.3160 10.3160 11.6133 11.6133 14.5125 14.5125 17.9695 17.9695 k = 0.1591 0.4460-0.0000 ( 1246 PWs) bands (ev): -5.3345 -5.3345 -5.3084 -5.3084 -5.2726 -5.2726 -5.2507 -5.2507 -4.8936 -4.8936 -4.8383 -4.8383 -4.7904 -4.7904 -4.7841 -4.7841 -4.7336 -4.7336 -4.6295 -4.6295 0.5058 0.5058 8.6707 8.6707 9.0827 9.0827 10.3144 10.3144 11.5213 11.5213 14.6070 14.6070 18.0580 18.0580 k = 0.1636 0.4587-0.0000 ( 1246 PWs) bands (ev): -5.3340 -5.3340 -5.3074 -5.3074 -5.2726 -5.2726 -5.2511 -5.2511 -4.8955 -4.8955 -4.8379 -4.8379 -4.7891 -4.7891 -4.7835 -4.7835 -4.7316 -4.7316 -4.6304 -4.6304 0.6121 0.6121 8.6337 8.6337 8.9223 8.9223 10.3471 10.3471 11.4511 11.4511 14.7034 14.7034 18.1495 18.1495 k = 0.1682 0.4715-0.0000 ( 1250 PWs) bands (ev): -5.3334 -5.3334 -5.3064 -5.3064 -5.2727 -5.2727 -5.2514 -5.2514 -4.8973 -4.8973 -4.8376 -4.8376 -4.7880 -4.7880 -4.7833 -4.7833 -4.7294 -4.7294 -4.6313 -4.6313 0.7213 0.7213 8.5797 8.5797 8.7444 8.7444 10.4033 10.4033 11.4035 11.4035 14.8014 14.8014 18.2435 18.2435 k = 0.1727 0.4842-0.0000 ( 1246 PWs) bands (ev): -5.3329 -5.3329 -5.3054 -5.3054 -5.2730 -5.2730 -5.2517 -5.2517 -4.8989 -4.8989 -4.8371 -4.8371 -4.7868 -4.7868 -4.7832 -4.7832 -4.7268 -4.7268 -4.6321 -4.6321 0.8332 0.8332 8.5062 8.5062 8.5593 8.5593 10.4756 10.4756 11.3782 11.3782 14.9010 14.9010 18.3402 18.3402 k = 0.1773 0.4970-0.0000 ( 1246 PWs) bands (ev): -5.3324 -5.3324 -5.3045 -5.3045 -5.2734 -5.2734 -5.2520 -5.2520 -4.9006 -4.9006 -4.8366 -4.8366 -4.7857 -4.7857 -4.7833 -4.7833 -4.7241 -4.7241 -4.6329 -4.6329 0.9477 0.9477 8.3561 8.3561 8.4295 8.4295 10.5592 10.5592 11.3742 11.3742 15.0020 15.0020 18.4394 18.4394 k = 0.1818 0.5097-0.0000 ( 1246 PWs) bands (ev): -5.3319 -5.3319 -5.3036 -5.3036 -5.2739 -5.2739 -5.2523 -5.2523 -4.9021 -4.9021 -4.8362 -4.8362 -4.7848 -4.7848 -4.7836 -4.7836 -4.7213 -4.7213 -4.6336 -4.6336 1.0649 1.0649 8.1608 8.1608 8.3282 8.3282 10.6515 10.6515 11.3902 11.3902 15.1042 15.1042 18.5412 18.5412 k = 0.1864 0.5224-0.0000 ( 1250 PWs) bands (ev): -5.3314 -5.3314 -5.3028 -5.3028 -5.2745 -5.2745 -5.2525 -5.2525 -4.9035 -4.9035 -4.8358 -4.8358 -4.7841 -4.7841 -4.7839 -4.7839 -4.7184 -4.7184 -4.6343 -4.6343 1.1847 1.1847 7.9629 7.9629 8.2165 8.2165 10.7506 10.7506 11.4241 11.4241 15.2075 15.2075 18.6455 18.6455 k = 0.1909 0.5352-0.0000 ( 1246 PWs) bands (ev): -5.3308 -5.3308 -5.3020 -5.3020 -5.2752 -5.2752 -5.2526 -5.2526 -4.9048 -4.9048 -4.8352 -4.8352 -4.7846 -4.7846 -4.7831 -4.7831 -4.7155 -4.7155 -4.6348 -4.6348 1.3069 1.3069 7.7647 7.7647 8.0953 8.0953 10.8556 10.8556 11.4738 11.4738 15.3118 15.3118 18.7524 18.7524 k = 0.1954 0.5479-0.0000 ( 1242 PWs) bands (ev): -5.3303 -5.3303 -5.3013 -5.3013 -5.2759 -5.2759 -5.2527 -5.2527 -4.9060 -4.9060 -4.8347 -4.8347 -4.7852 -4.7852 -4.7823 -4.7823 -4.7126 -4.7126 -4.6353 -4.6353 1.4315 1.4315 7.5673 7.5673 7.9663 7.9663 10.9656 10.9656 11.5376 11.5376 15.4167 15.4167 18.8617 18.8617 k = 0.2000 0.5607-0.0000 ( 1244 PWs) bands (ev): -5.3298 -5.3298 -5.3006 -5.3006 -5.2768 -5.2768 -5.2528 -5.2528 -4.9071 -4.9071 -4.8341 -4.8341 -4.7860 -4.7860 -4.7817 -4.7817 -4.7099 -4.7099 -4.6357 -4.6357 1.5583 1.5583 7.3711 7.3711 7.8315 7.8315 11.0801 11.0801 11.6135 11.6135 15.5221 15.5221 18.9734 18.9734 k = 0.2045 0.5734-0.0000 ( 1244 PWs) bands (ev): -5.3293 -5.3293 -5.3001 -5.3001 -5.2776 -5.2776 -5.2528 -5.2528 -4.9081 -4.9081 -4.8335 -4.8335 -4.7868 -4.7868 -4.7812 -4.7812 -4.7074 -4.7074 -4.6361 -4.6361 1.6872 1.6872 7.1765 7.1765 7.6925 7.6925 11.1989 11.1989 11.6999 11.6999 15.6277 15.6277 19.0874 19.0874 k = 0.2091 0.5862-0.0000 ( 1244 PWs) bands (ev): -5.3288 -5.3288 -5.2996 -5.2996 -5.2783 -5.2783 -5.2527 -5.2527 -4.9090 -4.9090 -4.8328 -4.8328 -4.7876 -4.7876 -4.7808 -4.7808 -4.7050 -4.7050 -4.6363 -4.6363 1.8182 1.8182 6.9839 6.9839 7.5508 7.5508 11.3217 11.3217 11.7956 11.7956 15.7332 15.7332 19.2036 19.2036 k = 0.2136 0.5989-0.0000 ( 1236 PWs) bands (ev): -5.3283 -5.3283 -5.2992 -5.2992 -5.2790 -5.2790 -5.2526 -5.2526 -4.9097 -4.9097 -4.8321 -4.8321 -4.7885 -4.7885 -4.7805 -4.7805 -4.7029 -4.7029 -4.6365 -4.6365 1.9508 1.9508 6.7935 6.7935 7.4076 7.4076 11.4483 11.4483 11.8994 11.8994 15.8384 15.8384 19.3220 19.3220 k = 0.2182 0.6116-0.0000 ( 1236 PWs) bands (ev): -5.3278 -5.3278 -5.2989 -5.2989 -5.2796 -5.2796 -5.2524 -5.2524 -4.9103 -4.9103 -4.8313 -4.8313 -4.7895 -4.7895 -4.7803 -4.7803 -4.7011 -4.7011 -4.6365 -4.6365 2.0850 2.0850 6.6053 6.6053 7.2641 7.2641 11.5785 11.5785 12.0103 12.0103 15.9429 15.9429 19.4422 19.4422 k = 0.2227 0.6244-0.0000 ( 1236 PWs) bands (ev): -5.3273 -5.3273 -5.2987 -5.2987 -5.2802 -5.2802 -5.2523 -5.2523 -4.9109 -4.9109 -4.8305 -4.8305 -4.7904 -4.7904 -4.7802 -4.7802 -4.6995 -4.6995 -4.6365 -4.6365 2.2205 2.2205 6.4196 6.4196 7.1214 7.1214 11.7123 11.7123 12.1276 12.1276 16.0463 16.0463 19.5640 19.5640 k = 0.2273 0.6371-0.0000 ( 1236 PWs) bands (ev): -5.3268 -5.3268 -5.2985 -5.2985 -5.2806 -5.2806 -5.2521 -5.2521 -4.9113 -4.9113 -4.8296 -4.8296 -4.7914 -4.7914 -4.7802 -4.7802 -4.6982 -4.6982 -4.6365 -4.6365 2.3568 2.3568 6.2363 6.2363 6.9804 6.9804 11.8495 11.8495 12.2506 12.2506 16.1483 16.1483 19.6868 19.6868 k = 0.2318 0.6499-0.0000 ( 1232 PWs) bands (ev): -5.3263 -5.3263 -5.2985 -5.2985 -5.2809 -5.2809 -5.2519 -5.2519 -4.9117 -4.9117 -4.8287 -4.8287 -4.7923 -4.7923 -4.7803 -4.7803 -4.6973 -4.6973 -4.6364 -4.6364 2.4935 2.4935 6.0557 6.0557 6.8420 6.8420 11.9901 11.9901 12.3788 12.3788 16.2483 16.2483 19.8069 19.8069 k = 0.2364 0.6626-0.0000 ( 1236 PWs) bands (ev): -5.3257 -5.3257 -5.2985 -5.2985 -5.2811 -5.2811 -5.2517 -5.2517 -4.9119 -4.9119 -4.8277 -4.8277 -4.7933 -4.7933 -4.7806 -4.7806 -4.6966 -4.6966 -4.6363 -4.6363 2.6301 2.6301 5.8777 5.8777 6.7073 6.7073 12.1341 12.1341 12.5116 12.5116 16.3460 16.3460 19.7983 19.7983 k = 0.2409 0.6754-0.0000 ( 1230 PWs) bands (ev): -5.3252 -5.3252 -5.2986 -5.2986 -5.2812 -5.2812 -5.2514 -5.2514 -4.9120 -4.9120 -4.8267 -4.8267 -4.7942 -4.7942 -4.7808 -4.7808 -4.6962 -4.6962 -4.6362 -4.6362 2.7658 2.7658 5.7025 5.7025 6.5773 6.5773 12.2814 12.2814 12.6488 12.6488 16.4408 16.4408 19.6649 19.6649 k = 0.2454 0.6881-0.0000 ( 1230 PWs) bands (ev): -5.3246 -5.3246 -5.2987 -5.2987 -5.2811 -5.2811 -5.2512 -5.2512 -4.9120 -4.9120 -4.8257 -4.8257 -4.7951 -4.7951 -4.7812 -4.7812 -4.6961 -4.6961 -4.6362 -4.6362 2.8998 2.8998 5.5299 5.5299 6.4533 6.4533 12.4319 12.4319 12.7899 12.7899 16.5321 16.5321 19.5276 19.5276 k = 0.2500 0.7008-0.0000 ( 1226 PWs) bands (ev): -5.3240 -5.3240 -5.2989 -5.2989 -5.2810 -5.2810 -5.2509 -5.2509 -4.9119 -4.9119 -4.8246 -4.8246 -4.7960 -4.7960 -4.7817 -4.7817 -4.6962 -4.6962 -4.6362 -4.6362 3.0308 3.0308 5.3602 5.3602 6.3365 6.3365 12.5857 12.5857 12.9346 12.9346 16.6195 16.6195 19.3897 19.3897 k = 0.2545 0.7136-0.0000 ( 1224 PWs) bands (ev): -5.3234 -5.3234 -5.2990 -5.2990 -5.2808 -5.2808 -5.2506 -5.2506 -4.9117 -4.9117 -4.8236 -4.8236 -4.7969 -4.7969 -4.7822 -4.7822 -4.6965 -4.6965 -4.6362 -4.6362 3.1574 3.1574 5.1933 5.1933 6.2287 6.2287 12.7425 12.7425 13.0828 13.0828 16.7023 16.7023 19.2521 19.2521 k = 0.2591 0.7263-0.0000 ( 1226 PWs) bands (ev): -5.3228 -5.3228 -5.2991 -5.2991 -5.2806 -5.2806 -5.2504 -5.2504 -4.9115 -4.9115 -4.8227 -4.8227 -4.7978 -4.7978 -4.7827 -4.7827 -4.6970 -4.6970 -4.6364 -4.6364 3.2777 3.2777 5.0293 5.0293 6.1320 6.1320 12.9025 12.9025 13.2340 13.2340 16.7799 16.7799 19.1149 19.1149 k = 0.2636 0.7391-0.0000 ( 1222 PWs) bands (ev): -5.3222 -5.3222 -5.2992 -5.2992 -5.2803 -5.2803 -5.2502 -5.2502 -4.9111 -4.9111 -4.8218 -4.8218 -4.7985 -4.7985 -4.7832 -4.7832 -4.6978 -4.6978 -4.6368 -4.6368 3.3894 3.3894 4.8682 4.8682 6.0488 6.0488 13.0656 13.0656 13.3882 13.3882 16.8518 16.8518 18.9785 18.9785 k = 0.2682 0.7518-0.0000 ( 1230 PWs) bands (ev): -5.3216 -5.3216 -5.2992 -5.2992 -5.2801 -5.2801 -5.2500 -5.2500 -4.9107 -4.9107 -4.8210 -4.8210 -4.7994 -4.7994 -4.7838 -4.7838 -4.6987 -4.6987 -4.6373 -4.6373 3.4897 3.4897 4.7099 4.7099 5.9820 5.9820 13.2318 13.2318 13.5450 13.5450 16.9172 16.9172 18.8429 18.8429 k = 0.2727 0.7646-0.0000 ( 1234 PWs) bands (ev): -5.3209 -5.3209 -5.2992 -5.2992 -5.2798 -5.2798 -5.2498 -5.2498 -4.9101 -4.9101 -4.8205 -4.8205 -4.8000 -4.8000 -4.7842 -4.7842 -4.6999 -4.6999 -4.6380 -4.6380 3.5754 3.5754 4.5547 4.5547 5.9348 5.9348 13.4008 13.4008 13.7044 13.7044 16.9758 16.9758 18.7085 18.7085 k = 0.2773 0.7773-0.0000 ( 1238 PWs) bands (ev): -5.3202 -5.3202 -5.2992 -5.2992 -5.2795 -5.2795 -5.2497 -5.2497 -4.9095 -4.9095 -4.8201 -4.8201 -4.8006 -4.8006 -4.7844 -4.7844 -4.7012 -4.7012 -4.6388 -4.6388 3.6435 3.6435 4.4023 4.4023 5.9105 5.9105 13.5729 13.5729 13.8659 13.8659 17.0270 17.0270 18.5755 18.5755 k = 0.2818 0.7900-0.0000 ( 1244 PWs) bands (ev): -5.3195 -5.3195 -5.2991 -5.2991 -5.2791 -5.2791 -5.2496 -5.2496 -4.9088 -4.9088 -4.8199 -4.8199 -4.8011 -4.8011 -4.7845 -4.7845 -4.7026 -4.7026 -4.6400 -4.6400 3.6912 3.6912 4.2529 4.2529 5.9118 5.9118 13.7477 13.7477 14.0296 14.0296 17.0706 17.0706 18.4439 18.4439 k = 0.2818 0.7900-0.0000 ( 1244 PWs) bands (ev): -5.3195 -5.3195 -5.2991 -5.2991 -5.2791 -5.2791 -5.2496 -5.2496 -4.9088 -4.9088 -4.8199 -4.8199 -4.8011 -4.8011 -4.7845 -4.7845 -4.7026 -4.7026 -4.6400 -4.6400 3.6912 3.6912 4.2529 4.2529 5.9118 5.9118 13.7477 13.7477 14.0296 14.0296 17.0706 17.0706 18.4439 18.4439 k = 0.2684 0.7900-0.0000 ( 1245 PWs) bands (ev): -5.3197 -5.3197 -5.2991 -5.2991 -5.2793 -5.2793 -5.2497 -5.2497 -4.9090 -4.9090 -4.8202 -4.8202 -4.8012 -4.8012 -4.7840 -4.7840 -4.7022 -4.7022 -4.6396 -4.6396 3.6712 3.6712 4.3067 4.3067 5.9143 5.9143 13.5876 13.5876 14.0771 14.0771 17.0541 17.0541 18.4909 18.4909 k = 0.2550 0.7900-0.0000 ( 1241 PWs) bands (ev): -5.3198 -5.3198 -5.2991 -5.2991 -5.2795 -5.2795 -5.2498 -5.2498 -4.9091 -4.9091 -4.8209 -4.8209 -4.8017 -4.8017 -4.7825 -4.7825 -4.7017 -4.7017 -4.6394 -4.6394 3.6409 3.6409 4.3634 4.3634 5.9327 5.9327 13.3539 13.3539 14.2003 14.2003 17.0320 17.0320 18.5434 18.5434 k = 0.2416 0.7900-0.0000 ( 1241 PWs) bands (ev): -5.3199 -5.3199 -5.2990 -5.2990 -5.2798 -5.2798 -5.2501 -5.2501 -4.9091 -4.9091 -4.8220 -4.8220 -4.8024 -4.8024 -4.7803 -4.7803 -4.7014 -4.7014 -4.6392 -4.6392 3.6055 3.6055 4.4161 4.4161 5.9684 5.9684 13.1088 13.1088 14.3374 14.3374 17.0061 17.0061 18.5994 18.5994 k = 0.2281 0.7900-0.0000 ( 1243 PWs) bands (ev): -5.3199 -5.3199 -5.2989 -5.2989 -5.2802 -5.2802 -5.2505 -5.2505 -4.9090 -4.9090 -4.8235 -4.8235 -4.8033 -4.8033 -4.7775 -4.7775 -4.7012 -4.7012 -4.6392 -4.6392 3.5681 3.5681 4.4611 4.4611 6.0223 6.0223 12.8615 12.8615 14.4792 14.4792 16.9776 16.9776 18.6572 18.6572 k = 0.2147 0.7900-0.0000 ( 1245 PWs) bands (ev): -5.3198 -5.3198 -5.2988 -5.2988 -5.2806 -5.2806 -5.2509 -5.2509 -4.9088 -4.9088 -4.8252 -4.8252 -4.8042 -4.8042 -4.7744 -4.7744 -4.7011 -4.7011 -4.6393 -4.6393 3.5304 3.5304 4.4964 4.4964 6.0942 6.0942 12.6145 12.6145 14.6231 14.6231 16.9476 16.9476 18.7152 18.7152 k = 0.2013 0.7900-0.0000 ( 1245 PWs) bands (ev): -5.3197 -5.3197 -5.2987 -5.2987 -5.2811 -5.2811 -5.2515 -5.2515 -4.9086 -4.9086 -4.8271 -4.8271 -4.8049 -4.8049 -4.7711 -4.7711 -4.7011 -4.7011 -4.6395 -4.6395 3.4934 3.4934 4.5221 4.5221 6.1833 6.1833 12.3689 12.3689 14.7683 14.7683 16.9172 16.9172 18.7722 18.7722 k = 0.1879 0.7900-0.0000 ( 1240 PWs) bands (ev): -5.3194 -5.3194 -5.2986 -5.2986 -5.2815 -5.2815 -5.2520 -5.2520 -4.9082 -4.9082 -4.8291 -4.8291 -4.8056 -4.8056 -4.7676 -4.7676 -4.7011 -4.7011 -4.6396 -4.6396 3.4578 3.4578 4.5389 4.5389 6.2878 6.2878 12.1253 12.1253 14.9139 14.9139 16.8869 16.8869 18.8274 18.8274 k = 0.1745 0.7900-0.0000 ( 1243 PWs) bands (ev): -5.3192 -5.3192 -5.2985 -5.2985 -5.2819 -5.2819 -5.2527 -5.2527 -4.9078 -4.9078 -4.8312 -4.8312 -4.8061 -4.8061 -4.7641 -4.7641 -4.7013 -4.7013 -4.6399 -4.6399 3.4241 3.4241 4.5481 4.5481 6.4060 6.4060 11.8841 11.8841 15.0592 15.0592 16.8574 16.8574 18.8798 18.8798 k = 0.1610 0.7900-0.0000 ( 1239 PWs) bands (ev): -5.3188 -5.3188 -5.2984 -5.2984 -5.2823 -5.2823 -5.2535 -5.2535 -4.9073 -4.9073 -4.8333 -4.8333 -4.8065 -4.8065 -4.7605 -4.7605 -4.7016 -4.7016 -4.6402 -4.6402 3.3923 3.3923 4.5515 4.5515 6.5357 6.5357 11.6458 11.6458 15.2038 15.2038 16.8290 16.8290 18.9288 18.9288 k = 0.1476 0.7900-0.0000 ( 1243 PWs) bands (ev): -5.3184 -5.3184 -5.2984 -5.2984 -5.2826 -5.2826 -5.2543 -5.2543 -4.9068 -4.9068 -4.8355 -4.8355 -4.8069 -4.8069 -4.7570 -4.7570 -4.7021 -4.7021 -4.6406 -4.6406 3.3628 3.3628 4.5504 4.5504 6.6749 6.6749 11.4106 11.4106 15.3468 15.3468 16.8023 16.8023 18.9738 18.9738 k = 0.1342 0.7900-0.0000 ( 1248 PWs) bands (ev): -5.3179 -5.3179 -5.2984 -5.2984 -5.2829 -5.2829 -5.2552 -5.2552 -4.9062 -4.9062 -4.8376 -4.8376 -4.8072 -4.8072 -4.7536 -4.7536 -4.7027 -4.7027 -4.6410 -4.6410 3.3356 3.3356 4.5462 4.5462 6.8221 6.8221 11.1791 11.1791 15.4874 15.4874 16.7774 16.7774 19.0142 19.0142 k = 0.1208 0.7900-0.0000 ( 1248 PWs) bands (ev): -5.3174 -5.3174 -5.2985 -5.2985 -5.2831 -5.2831 -5.2560 -5.2560 -4.9057 -4.9057 -4.8396 -4.8396 -4.8074 -4.8074 -4.7501 -4.7501 -4.7034 -4.7034 -4.6414 -4.6414 3.3109 3.3109 4.5399 4.5399 6.9754 6.9754 10.9519 10.9519 15.6245 15.6245 16.7548 16.7548 19.0491 19.0491 k = 0.1074 0.7900-0.0000 ( 1246 PWs) bands (ev): -5.3169 -5.3169 -5.2987 -5.2987 -5.2831 -5.2831 -5.2569 -5.2569 -4.9051 -4.9051 -4.8414 -4.8414 -4.8075 -4.8075 -4.7468 -4.7468 -4.7043 -4.7043 -4.6418 -4.6418 3.2886 3.2886 4.5326 4.5326 7.1332 7.1332 10.7296 10.7296 15.7568 15.7568 16.7346 16.7346 19.0768 19.0768 k = 0.0939 0.7900-0.0000 ( 1247 PWs) bands (ev): -5.3163 -5.3163 -5.2991 -5.2991 -5.2831 -5.2831 -5.2578 -5.2578 -4.9045 -4.9045 -4.8431 -4.8431 -4.8076 -4.8076 -4.7435 -4.7435 -4.7053 -4.7053 -4.6422 -4.6422 3.2690 3.2690 4.5248 4.5248 7.2939 7.2939 10.5133 10.5133 15.8826 15.8826 16.7171 16.7171 19.0903 19.0903 k = 0.0805 0.7900-0.0000 ( 1250 PWs) bands (ev): -5.3157 -5.3157 -5.2994 -5.2994 -5.2830 -5.2830 -5.2586 -5.2586 -4.9040 -4.9040 -4.8447 -4.8447 -4.8078 -4.8078 -4.7405 -4.7405 -4.7064 -4.7064 -4.6426 -4.6426 3.2518 3.2518 4.5172 4.5172 7.4555 7.4555 10.3044 10.3044 15.9999 15.9999 16.7025 16.7025 19.0686 19.0686 k = 0.0671 0.7900-0.0000 ( 1250 PWs) bands (ev): -5.3152 -5.3152 -5.2998 -5.2998 -5.2828 -5.2828 -5.2594 -5.2594 -4.9035 -4.9035 -4.8461 -4.8461 -4.8078 -4.8078 -4.7376 -4.7376 -4.7076 -4.7076 -4.6429 -4.6429 3.2373 3.2373 4.5101 4.5101 7.6152 7.6152 10.1052 10.1052 16.1061 16.1061 16.6912 16.6912 19.0075 19.0075 k = 0.0537 0.7900-0.0000 ( 1246 PWs) bands (ev): -5.3146 -5.3146 -5.3002 -5.3002 -5.2826 -5.2826 -5.2600 -5.2600 -4.9030 -4.9030 -4.8472 -4.8472 -4.8078 -4.8078 -4.7349 -4.7349 -4.7088 -4.7088 -4.6432 -4.6432 3.2254 3.2254 4.5040 4.5040 7.7692 7.7692 9.9194 9.9194 16.1982 16.1982 16.6834 16.6834 18.9378 18.9378 k = 0.0403 0.7900-0.0000 ( 1240 PWs) bands (ev): -5.3142 -5.3142 -5.3006 -5.3006 -5.2823 -5.2823 -5.2606 -5.2606 -4.9027 -4.9027 -4.8481 -4.8481 -4.8078 -4.8078 -4.7326 -4.7326 -4.7099 -4.7099 -4.6434 -4.6434 3.2162 3.2162 4.4989 4.4989 7.9112 7.9112 9.7528 9.7528 16.2732 16.2732 16.6792 16.6792 18.8751 18.8751 k = 0.0268 0.7900-0.0000 ( 1238 PWs) bands (ev): -5.3138 -5.3138 -5.3009 -5.3009 -5.2821 -5.2821 -5.2610 -5.2610 -4.9024 -4.9024 -4.8488 -4.8488 -4.8078 -4.8078 -4.7307 -4.7307 -4.7110 -4.7110 -4.6436 -4.6436 3.2095 3.2095 4.4952 4.4952 8.0313 8.0313 9.6153 9.6153 16.3281 16.3281 16.6779 16.6779 18.8261 18.8261 k = 0.0134 0.7900-0.0000 ( 1240 PWs) bands (ev): -5.3136 -5.3136 -5.3011 -5.3011 -5.2820 -5.2820 -5.2613 -5.2613 -4.9022 -4.9022 -4.8492 -4.8492 -4.8078 -4.8078 -4.7295 -4.7295 -4.7118 -4.7118 -4.6437 -4.6437 3.2056 3.2056 4.4929 4.4929 8.1148 8.1148 9.5213 9.5213 16.3614 16.3614 16.6784 16.6784 18.7948 18.7948 k = 0.0000 0.7900-0.0000 ( 1238 PWs) bands (ev): -5.3135 -5.3135 -5.3011 -5.3011 -5.2819 -5.2819 -5.2614 -5.2614 -4.9021 -4.9021 -4.8493 -4.8493 -4.8078 -4.8078 -4.7291 -4.7291 -4.7120 -4.7120 -4.6437 -4.6437 3.2042 3.2042 4.4922 4.4922 8.1453 8.1453 9.4874 9.4874 16.3724 16.3724 16.6789 16.6789 18.7841 18.7841 k = 0.0000 0.7900-0.0000 ( 1238 PWs) bands (ev): -5.3135 -5.3135 -5.3011 -5.3011 -5.2819 -5.2819 -5.2614 -5.2614 -4.9021 -4.9021 -4.8493 -4.8493 -4.8078 -4.8078 -4.7291 -4.7291 -4.7120 -4.7120 -4.6437 -4.6437 3.2042 3.2042 4.4922 4.4922 8.1453 8.1453 9.4874 9.4874 16.3724 16.3724 16.6789 16.6789 18.7841 18.7841 k = 0.0000 0.7900 0.0136 ( 1238 PWs) bands (ev): -5.3137 -5.3137 -5.3010 -5.3010 -5.2819 -5.2819 -5.2613 -5.2613 -4.9022 -4.9022 -4.8493 -4.8493 -4.8078 -4.8078 -4.7295 -4.7295 -4.7116 -4.7116 -4.6437 -4.6437 3.2057 3.2057 4.4938 4.4938 8.1469 8.1469 9.4885 9.4885 16.3661 16.3661 16.6598 16.6598 18.7881 18.7881 k = 0.0000 0.7900 0.0272 ( 1238 PWs) bands (ev): -5.3143 -5.3143 -5.3006 -5.3006 -5.2818 -5.2818 -5.2612 -5.2612 -4.9022 -4.9022 -4.8491 -4.8491 -4.8079 -4.8079 -4.7308 -4.7308 -4.7103 -4.7103 -4.6437 -4.6437 3.2099 3.2099 4.4986 4.4986 8.1517 8.1517 9.4919 9.4919 16.3463 16.3463 16.6049 16.6049 18.7992 18.7992 k = 0.0000 0.7900 0.0408 ( 1240 PWs) bands (ev): -5.3151 -5.3151 -5.3000 -5.3000 -5.2817 -5.2817 -5.2609 -5.2609 -4.9022 -4.9022 -4.8488 -4.8488 -4.8080 -4.8080 -4.7327 -4.7327 -4.7086 -4.7086 -4.6436 -4.6436 3.2171 3.2171 4.5066 4.5066 8.1597 8.1597 9.4976 9.4976 16.3086 16.3086 16.5219 16.5219 18.8143 18.8143 k = 0.0000 0.7900 0.0545 ( 1240 PWs) bands (ev): -5.3162 -5.3162 -5.2992 -5.2992 -5.2816 -5.2816 -5.2606 -5.2606 -4.9022 -4.9022 -4.8485 -4.8485 -4.8082 -4.8082 -4.7348 -4.7348 -4.7065 -4.7065 -4.6436 -4.6436 3.2271 3.2271 4.5178 4.5178 8.1710 8.1710 9.5055 9.5055 16.2425 16.2425 16.4263 16.4263 18.8265 18.8265 k = 0.0000 0.7900 0.0681 ( 1244 PWs) bands (ev): -5.3174 -5.3174 -5.2984 -5.2984 -5.2814 -5.2814 -5.2603 -5.2603 -4.9022 -4.9022 -4.8480 -4.8480 -4.8084 -4.8084 -4.7372 -4.7372 -4.7043 -4.7043 -4.6435 -4.6435 3.2399 3.2399 4.5323 4.5323 8.1854 8.1854 9.5157 9.5157 16.1333 16.1333 16.3373 16.3373 18.8074 18.8074 k = 0.0000 0.7900 0.0817 ( 1244 PWs) bands (ev): -5.3188 -5.3188 -5.2975 -5.2975 -5.2811 -5.2811 -5.2598 -5.2598 -4.9022 -4.9022 -4.8474 -4.8474 -4.8086 -4.8086 -4.7395 -4.7395 -4.7020 -4.7020 -4.6435 -4.6435 3.2556 3.2556 4.5499 4.5499 8.2030 8.2030 9.5280 9.5280 15.9833 15.9833 16.2570 16.2570 18.7231 18.7231 k = 0.0000 0.7900 0.0953 ( 1246 PWs) bands (ev): -5.3202 -5.3202 -5.2967 -5.2967 -5.2809 -5.2809 -5.2592 -5.2592 -4.9022 -4.9022 -4.8467 -4.8467 -4.8089 -4.8089 -4.7419 -4.7419 -4.6997 -4.6997 -4.6434 -4.6434 3.2742 3.2742 4.5707 4.5707 8.2238 8.2238 9.5425 9.5425 15.8069 15.8069 16.1743 16.1743 18.6172 18.6172 k = 0.0000 0.7900 0.1089 ( 1246 PWs) bands (ev): -5.3217 -5.3217 -5.2959 -5.2959 -5.2805 -5.2805 -5.2587 -5.2587 -4.9021 -4.9021 -4.8459 -4.8459 -4.8092 -4.8092 -4.7443 -4.7443 -4.6975 -4.6975 -4.6433 -4.6433 3.2956 3.2956 4.5947 4.5947 8.2477 8.2477 9.5592 9.5592 15.6142 15.6142 16.0820 16.0820 18.5123 18.5123 k = 0.0000 0.7900 0.1225 ( 1246 PWs) bands (ev): -5.3233 -5.3233 -5.2952 -5.2952 -5.2801 -5.2801 -5.2581 -5.2581 -4.9021 -4.9021 -4.8450 -4.8450 -4.8096 -4.8096 -4.7465 -4.7465 -4.6952 -4.6952 -4.6432 -4.6432 3.3199 3.3199 4.6219 4.6219 8.2748 8.2748 9.5780 9.5780 15.4104 15.4104 15.9771 15.9771 18.4146 18.4146 k = 0.0000 0.7900 0.1361 ( 1240 PWs) bands (ev): -5.3248 -5.3248 -5.2946 -5.2946 -5.2796 -5.2796 -5.2574 -5.2574 -4.9020 -4.9020 -4.8440 -4.8440 -4.8100 -4.8100 -4.7487 -4.7487 -4.6929 -4.6929 -4.6431 -4.6431 3.3471 3.3471 4.6523 4.6523 8.3050 8.3050 9.5988 9.5988 15.1991 15.1991 15.8585 15.8585 18.3268 18.3268 k = 0.0000 0.7900 0.1498 ( 1238 PWs) bands (ev): -5.3263 -5.3263 -5.2940 -5.2940 -5.2790 -5.2790 -5.2568 -5.2568 -4.9018 -4.9018 -4.8430 -4.8430 -4.8105 -4.8105 -4.7507 -4.7507 -4.6908 -4.6908 -4.6430 -4.6430 3.3771 3.3771 4.6859 4.6859 8.3383 8.3383 9.6216 9.6216 14.9827 14.9827 15.7262 15.7262 18.2499 18.2499 k = 0.0000 0.7900 0.1634 ( 1240 PWs) bands (ev): -5.3279 -5.3279 -5.2936 -5.2936 -5.2784 -5.2784 -5.2562 -5.2562 -4.9017 -4.9017 -4.8419 -4.8419 -4.8111 -4.8111 -4.7525 -4.7525 -4.6887 -4.6887 -4.6428 -4.6428 3.4101 3.4101 4.7226 4.7226 8.3746 8.3746 9.6462 9.6462 14.7628 14.7628 15.5811 15.5811 18.1836 18.1836 k = 0.0000 0.7900 0.1770 ( 1244 PWs) bands (ev): -5.3295 -5.3295 -5.2933 -5.2933 -5.2778 -5.2778 -5.2557 -5.2557 -4.9014 -4.9014 -4.8407 -4.8407 -4.8118 -4.8118 -4.7542 -4.7542 -4.6867 -4.6867 -4.6427 -4.6427 3.4460 3.4460 4.7625 4.7625 8.4139 8.4139 9.6726 9.6726 14.5408 14.5408 15.4243 15.4243 18.1271 18.1271 k = 0.0000 0.7900 0.1906 ( 1242 PWs) bands (ev): -5.3310 -5.3310 -5.2931 -5.2931 -5.2770 -5.2770 -5.2552 -5.2552 -4.9011 -4.9011 -4.8395 -4.8395 -4.8125 -4.8125 -4.7557 -4.7557 -4.6847 -4.6847 -4.6424 -4.6424 3.4847 3.4847 4.8055 4.8055 8.4562 8.4562 9.7006 9.7006 14.3179 14.3179 15.2574 15.2574 18.0787 18.0787 k = 0.0000 0.7900 0.2042 ( 1246 PWs) bands (ev): -5.3326 -5.3326 -5.2931 -5.2931 -5.2763 -5.2763 -5.2548 -5.2548 -4.9008 -4.9008 -4.8383 -4.8383 -4.8133 -4.8133 -4.7570 -4.7570 -4.6829 -4.6829 -4.6422 -4.6422 3.5264 3.5264 4.8516 4.8516 8.5014 8.5014 9.7301 9.7301 14.0949 14.0949 15.0819 15.0819 18.0366 18.0366 k = 0.0000 0.7900 0.2178 ( 1246 PWs) bands (ev): -5.3340 -5.3340 -5.2931 -5.2931 -5.2756 -5.2756 -5.2544 -5.2544 -4.9003 -4.9003 -4.8371 -4.8371 -4.8142 -4.8142 -4.7581 -4.7581 -4.6811 -4.6811 -4.6420 -4.6420 3.5710 3.5710 4.9009 4.9009 8.5496 8.5496 9.7609 9.7609 13.8727 13.8727 14.8995 14.8995 17.9985 17.9985 k = 0.0000 0.7900 0.2315 ( 1246 PWs) bands (ev): -5.3354 -5.3354 -5.2932 -5.2932 -5.2749 -5.2749 -5.2542 -5.2542 -4.8998 -4.8998 -4.8358 -4.8358 -4.8151 -4.8151 -4.7589 -4.7589 -4.6794 -4.6794 -4.6417 -4.6417 3.6185 3.6185 4.9533 4.9533 8.6005 8.6005 9.7926 9.7926 13.6520 13.6520 14.7115 14.7115 17.9619 17.9619 k = 0.0000 0.7900 0.2451 ( 1246 PWs) bands (ev): -5.3368 -5.3368 -5.2934 -5.2934 -5.2743 -5.2743 -5.2540 -5.2540 -4.8991 -4.8991 -4.8345 -4.8345 -4.8161 -4.8161 -4.7595 -4.7595 -4.6778 -4.6778 -4.6414 -4.6414 3.6689 3.6689 5.0088 5.0088 8.6542 8.6542 9.8251 9.8251 13.4337 13.4337 14.5192 14.5192 17.9242 17.9242 k = 0.0000 0.7900 0.2587 ( 1246 PWs) bands (ev): -5.3381 -5.3381 -5.2936 -5.2936 -5.2737 -5.2737 -5.2539 -5.2539 -4.8984 -4.8984 -4.8332 -4.8332 -4.8170 -4.8170 -4.7599 -4.7599 -4.6762 -4.6762 -4.6411 -4.6411 3.7223 3.7223 5.0674 5.0674 8.7106 8.7106 9.8577 9.8577 13.2183 13.2183 14.3239 14.3239 17.8825 17.8825 k = 0.0000 0.7900 0.2723 ( 1242 PWs) bands (ev): -5.3393 -5.3393 -5.2939 -5.2939 -5.2731 -5.2731 -5.2540 -5.2540 -4.8975 -4.8975 -4.8319 -4.8319 -4.8180 -4.8180 -4.7601 -4.7601 -4.6747 -4.6747 -4.6408 -4.6408 3.7786 3.7786 5.1291 5.1291 8.7695 8.7695 9.8901 9.8901 13.0068 13.0068 14.1263 14.1263 17.8336 17.8336 k = 0.0000 0.7900 0.2859 ( 1244 PWs) bands (ev): -5.3405 -5.3405 -5.2942 -5.2942 -5.2727 -5.2727 -5.2541 -5.2541 -4.8965 -4.8965 -4.8307 -4.8307 -4.8189 -4.8189 -4.7601 -4.7601 -4.6733 -4.6733 -4.6404 -4.6404 3.8379 3.8379 5.1938 5.1938 8.8310 8.8310 9.9215 9.9215 12.8000 12.8000 13.9274 13.9274 17.7746 17.7746 k = 0.0000 0.7900 0.2995 ( 1250 PWs) bands (ev): -5.3416 -5.3416 -5.2947 -5.2947 -5.2725 -5.2725 -5.2544 -5.2544 -4.8955 -4.8955 -4.8297 -4.8297 -4.8196 -4.8196 -4.7600 -4.7600 -4.6720 -4.6720 -4.6401 -4.6401 3.9002 3.9002 5.2616 5.2616 8.8948 8.8948 9.9508 9.9508 12.5990 12.5990 13.7280 13.7280 17.7025 17.7025 k = 0.0000 0.7900 0.3131 ( 1248 PWs) bands (ev): -5.3426 -5.3426 -5.2951 -5.2951 -5.2723 -5.2723 -5.2549 -5.2549 -4.8943 -4.8943 -4.8288 -4.8288 -4.8201 -4.8201 -4.7597 -4.7597 -4.6707 -4.6707 -4.6397 -4.6397 3.9654 3.9654 5.3324 5.3324 8.9608 8.9608 9.9768 9.9768 12.4055 12.4055 13.5286 13.5286 17.6143 17.6143 k = 0.0000 0.7900 0.3268 ( 1250 PWs) bands (ev): -5.3435 -5.3435 -5.2956 -5.2956 -5.2723 -5.2723 -5.2554 -5.2554 -4.8931 -4.8931 -4.8283 -4.8283 -4.8202 -4.8202 -4.7593 -4.7593 -4.6695 -4.6695 -4.6394 -4.6394 4.0336 4.0336 5.4063 5.4063 9.0288 9.0288 9.9979 9.9979 12.2209 12.2209 13.3299 13.3299 17.5036 17.5036 k = 0.0000 0.7900 0.3404 ( 1250 PWs) bands (ev): -5.3443 -5.3443 -5.2961 -5.2961 -5.2724 -5.2724 -5.2560 -5.2560 -4.8917 -4.8917 -4.8282 -4.8282 -4.8198 -4.8198 -4.7588 -4.7588 -4.6683 -4.6683 -4.6390 -4.6390 4.1048 4.1048 5.4831 5.4831 9.0986 9.0986 10.0118 10.0118 12.0478 12.0478 13.1325 13.1325 17.3555 17.3555 k = 0.0000 0.7900 0.3540 ( 1252 PWs) bands (ev): -5.3450 -5.3450 -5.2966 -5.2966 -5.2727 -5.2727 -5.2568 -5.2568 -4.8903 -4.8903 -4.8286 -4.8286 -4.8189 -4.8189 -4.7583 -4.7583 -4.6672 -4.6672 -4.6386 -4.6386 4.1790 4.1790 5.5630 5.5630 9.1700 9.1700 10.0157 10.0157 11.8890 11.8890 12.9369 12.9369 17.1725 17.1725 k = 0.0000 0.7900 0.3676 ( 1252 PWs) bands (ev): -5.3456 -5.3456 -5.2972 -5.2972 -5.2732 -5.2732 -5.2576 -5.2576 -4.8888 -4.8888 -4.8291 -4.8291 -4.8177 -4.8177 -4.7577 -4.7577 -4.6661 -4.6661 -4.6382 -4.6382 4.2562 4.2562 5.6458 5.6458 9.2425 9.2425 10.0060 10.0060 11.7480 11.7480 12.7438 12.7438 16.9783 16.9783 k = 0.0000 0.7900 0.3812 ( 1252 PWs) bands (ev): -5.3461 -5.3461 -5.2977 -5.2977 -5.2738 -5.2738 -5.2586 -5.2586 -4.8872 -4.8872 -4.8298 -4.8298 -4.8162 -4.8162 -4.7571 -4.7571 -4.6650 -4.6650 -4.6378 -4.6378 4.3364 4.3364 5.7316 5.7316 9.3157 9.3157 9.9792 9.9792 11.6285 11.6285 12.5536 12.5536 16.7824 16.7824 k = 0.0000 0.7900 0.3948 ( 1252 PWs) bands (ev): -5.3464 -5.3464 -5.2983 -5.2983 -5.2746 -5.2746 -5.2596 -5.2596 -4.8855 -4.8855 -4.8306 -4.8306 -4.8146 -4.8146 -4.7564 -4.7564 -4.6639 -4.6639 -4.6374 -4.6374 4.4196 4.4196 5.8204 5.8204 9.3890 9.3890 9.9320 9.9320 11.5336 11.5336 12.3672 12.3672 16.5876 16.5876 k = 0.0000 0.7900 0.4084 ( 1250 PWs) bands (ev): -5.3467 -5.3467 -5.2988 -5.2988 -5.2756 -5.2756 -5.2607 -5.2607 -4.8837 -4.8837 -4.8314 -4.8314 -4.8129 -4.8129 -4.7558 -4.7558 -4.6628 -4.6628 -4.6371 -4.6371 4.5059 4.5059 5.9121 5.9121 9.4614 9.4614 9.8627 9.8627 11.4652 11.4652 12.1855 12.1855 16.3948 16.3948 k = 0.0000 0.7900 0.4221 ( 1254 PWs) bands (ev): -5.3468 -5.3468 -5.2994 -5.2994 -5.2767 -5.2767 -5.2619 -5.2619 -4.8820 -4.8820 -4.8322 -4.8322 -4.8111 -4.8111 -4.7554 -4.7554 -4.6617 -4.6617 -4.6368 -4.6368 4.5951 4.5951 6.0066 6.0066 9.5313 9.5313 9.7721 9.7721 11.4228 11.4228 12.0096 12.0096 16.2049 16.2049 k = 0.0000 0.7900 0.4357 ( 1254 PWs) bands (ev): -5.3468 -5.3468 -5.3000 -5.3000 -5.2779 -5.2779 -5.2632 -5.2632 -4.8802 -4.8802 -4.8330 -4.8330 -4.8091 -4.8091 -4.7549 -4.7549 -4.6606 -4.6606 -4.6365 -4.6365 4.6874 4.6874 6.1041 6.1041 9.5908 9.5908 9.6689 9.6689 11.4039 11.4039 11.8412 11.8412 16.0183 16.0183 k = 0.0000 0.7900 0.4493 ( 1256 PWs) bands (ev): -5.3466 -5.3466 -5.3006 -5.3006 -5.2793 -5.2793 -5.2645 -5.2645 -4.8783 -4.8783 -4.8337 -4.8337 -4.8072 -4.8072 -4.7546 -4.7546 -4.6595 -4.6595 -4.6362 -4.6362 4.7826 4.7826 6.2044 6.2044 9.5233 9.5233 9.6713 9.6713 11.4043 11.4043 11.6827 11.6827 15.8356 15.8356 k = 0.0000 0.7900 0.4629 ( 1254 PWs) bands (ev): -5.3463 -5.3463 -5.3012 -5.3012 -5.2806 -5.2806 -5.2659 -5.2659 -4.8764 -4.8764 -4.8345 -4.8345 -4.8051 -4.8051 -4.7543 -4.7543 -4.6584 -4.6584 -4.6359 -4.6359 4.8809 4.8809 6.3076 6.3076 9.3859 9.3859 9.7231 9.7231 11.4172 11.4172 11.5398 11.5398 15.6570 15.6570 k = 0.0000 0.7900 0.4765 ( 1252 PWs) bands (ev): -5.3459 -5.3459 -5.3018 -5.3018 -5.2821 -5.2821 -5.2672 -5.2672 -4.8746 -4.8746 -4.8352 -4.8352 -4.8029 -4.8029 -4.7542 -4.7542 -4.6573 -4.6573 -4.6358 -4.6358 4.9823 4.9823 6.4136 6.4136 9.2370 9.2370 9.7654 9.7654 11.3864 11.3864 11.4687 11.4687 15.4833 15.4833 k = 0.0000 0.7900 0.4901 ( 1250 PWs) bands (ev): -5.3454 -5.3454 -5.3025 -5.3025 -5.2835 -5.2835 -5.2687 -5.2687 -4.8727 -4.8727 -4.8360 -4.8360 -4.8007 -4.8007 -4.7542 -4.7542 -4.6561 -4.6561 -4.6356 -4.6356 5.0866 5.0866 6.5224 6.5224 9.0813 9.0813 9.7915 9.7915 11.2845 11.2845 11.4985 11.4985 15.3149 15.3149 k = 0.0000 0.7900 0.5037 ( 1248 PWs) bands (ev): -5.3447 -5.3447 -5.3033 -5.3033 -5.2850 -5.2850 -5.2701 -5.2701 -4.8708 -4.8708 -4.8367 -4.8367 -4.7985 -4.7985 -4.7543 -4.7543 -4.6549 -4.6549 -4.6355 -4.6355 5.1939 5.1939 6.6339 6.6339 8.9212 8.9212 9.7954 9.7954 11.2013 11.2013 11.5421 11.5421 15.1523 15.1523 k = 0.0000 0.7900 0.5174 ( 1248 PWs) bands (ev): -5.3439 -5.3439 -5.3042 -5.3042 -5.2863 -5.2863 -5.2716 -5.2716 -4.8689 -4.8689 -4.8375 -4.8375 -4.7962 -4.7962 -4.7546 -4.7546 -4.6537 -4.6537 -4.6355 -4.6355 5.3043 5.3043 6.7481 6.7481 8.7585 8.7585 9.7726 9.7726 11.1474 11.1474 11.5908 11.5908 14.9965 14.9965 k = 0.0000 0.7900 0.5310 ( 1250 PWs) bands (ev): -5.3430 -5.3430 -5.3052 -5.3052 -5.2875 -5.2875 -5.2731 -5.2731 -4.8671 -4.8671 -4.8383 -4.8383 -4.7939 -4.7939 -4.7550 -4.7550 -4.6525 -4.6525 -4.6355 -4.6355 5.4176 5.4176 6.8650 6.8650 8.5944 8.5944 9.7212 9.7212 11.1252 11.1252 11.6419 11.6419 14.8483 14.8483 k = 0.0000 0.7900 0.5446 ( 1250 PWs) bands (ev): -5.3419 -5.3419 -5.3064 -5.3064 -5.2885 -5.2885 -5.2746 -5.2746 -4.8653 -4.8653 -4.8391 -4.8391 -4.7915 -4.7915 -4.7556 -4.7556 -4.6513 -4.6513 -4.6356 -4.6356 5.5340 5.5340 6.9846 6.9846 8.4299 8.4299 9.6434 9.6434 11.1325 11.1325 11.6931 11.6931 14.7089 14.7089 k = 0.0000 0.7900 0.5582 ( 1248 PWs) bands (ev): -5.3407 -5.3407 -5.3078 -5.3078 -5.2893 -5.2893 -5.2761 -5.2761 -4.8635 -4.8635 -4.8399 -4.8399 -4.7891 -4.7891 -4.7563 -4.7563 -4.6501 -4.6501 -4.6358 -4.6358 5.6533 5.6533 7.1066 7.1066 8.2657 8.2657 9.5440 9.5440 11.1641 11.1641 11.7425 11.7425 14.5797 14.5797 k = 0.0000 0.7900 0.5718 ( 1248 PWs) bands (ev): -5.3394 -5.3394 -5.3094 -5.3094 -5.2898 -5.2898 -5.2775 -5.2775 -4.8617 -4.8617 -4.8408 -4.8408 -4.7868 -4.7868 -4.7572 -4.7572 -4.6489 -4.6489 -4.6360 -4.6360 5.7755 5.7755 7.2312 7.2312 8.1024 8.1024 9.4283 9.4283 11.2141 11.2141 11.7881 11.7881 14.4621 14.4621 k = 0.0000 0.7900 0.5854 ( 1244 PWs) bands (ev): -5.3380 -5.3380 -5.3111 -5.3111 -5.2901 -5.2901 -5.2789 -5.2789 -4.8600 -4.8600 -4.8417 -4.8417 -4.7844 -4.7844 -4.7582 -4.7582 -4.6477 -4.6477 -4.6363 -4.6363 5.9007 5.9007 7.3579 7.3579 7.9406 7.9406 9.3014 9.3014 11.2770 11.2770 11.8275 11.8275 14.3582 14.3582 k = 0.0000 0.7900 0.5990 ( 1246 PWs) bands (ev): -5.3365 -5.3365 -5.3130 -5.3130 -5.2903 -5.2903 -5.2803 -5.2803 -4.8584 -4.8584 -4.8427 -4.8427 -4.7821 -4.7821 -4.7594 -4.7594 -4.6466 -4.6466 -4.6367 -4.6367 6.0288 6.0288 7.4860 7.4860 7.7814 7.7814 9.1670 9.1670 11.3484 11.3484 11.8586 11.8586 14.2698 14.2698 k = 0.0000 0.7900 0.6127 ( 1248 PWs) bands (ev): -5.3348 -5.3348 -5.3150 -5.3150 -5.2902 -5.2902 -5.2817 -5.2817 -4.8568 -4.8568 -4.8437 -4.8437 -4.7798 -4.7798 -4.7607 -4.7607 -4.6455 -4.6455 -4.6371 -4.6371 6.1598 6.1598 7.5893 7.5893 7.6511 7.6511 9.0279 9.0279 11.4246 11.4246 11.8791 11.8791 14.1991 14.1991 k = 0.0000 0.7900 0.6263 ( 1248 PWs) bands (ev): -5.3331 -5.3331 -5.3170 -5.3170 -5.2899 -5.2899 -5.2830 -5.2830 -4.8552 -4.8552 -4.8447 -4.8447 -4.7775 -4.7775 -4.7621 -4.7621 -4.6444 -4.6444 -4.6377 -4.6377 6.2937 6.2937 7.4590 7.4590 7.7587 7.7587 8.8859 8.8859 11.5025 11.5025 11.8871 11.8871 14.1478 14.1478 k = 0.0000 0.7900 0.6399 ( 1250 PWs) bands (ev): -5.3313 -5.3313 -5.3191 -5.3191 -5.2895 -5.2895 -5.2842 -5.2842 -4.8537 -4.8537 -4.8459 -4.8459 -4.7753 -4.7753 -4.7637 -4.7637 -4.6433 -4.6433 -4.6383 -4.6383 6.4303 6.4303 7.3058 7.3058 7.8935 7.8935 8.7425 8.7425 11.5794 11.5794 11.8811 11.8811 14.1175 14.1175 k = 0.0000 0.7900 0.6535 ( 1252 PWs) bands (ev): -5.3294 -5.3294 -5.3212 -5.3212 -5.2889 -5.2889 -5.2853 -5.2853 -4.8523 -4.8523 -4.8471 -4.8471 -4.7732 -4.7732 -4.7654 -4.7654 -4.6423 -4.6423 -4.6390 -4.6390 6.5698 6.5698 7.1538 7.1538 8.0312 8.0312 8.5987 8.5987 11.6527 11.6527 11.8607 11.8607 14.1086 14.1086 k = 0.0000 0.7900 0.6671 ( 1252 PWs) bands (ev): -5.3274 -5.3274 -5.3233 -5.3233 -5.2882 -5.2882 -5.2864 -5.2864 -4.8509 -4.8509 -4.8483 -4.8483 -4.7711 -4.7711 -4.7672 -4.7672 -4.6414 -4.6414 -4.6397 -4.6397 6.7119 6.7119 7.0041 7.0041 8.1710 8.1710 8.4551 8.4551 11.7199 11.7199 11.8260 11.8260 14.1209 14.1209 k = 0.0000 0.7900 0.6807 ( 1252 PWs) bands (ev): -5.3254 -5.3254 -5.3254 -5.3254 -5.2873 -5.2873 -5.2873 -5.2873 -4.8496 -4.8496 -4.8496 -4.8496 -4.7691 -4.7691 -4.7691 -4.7691 -4.6405 -4.6405 -4.6405 -4.6405 6.8567 6.8567 6.8567 6.8567 8.3124 8.3124 8.3124 8.3124 11.7785 11.7785 11.7785 11.7785 14.1532 14.1532 k = 0.0000 0.7900 0.6807 ( 1252 PWs) bands (ev): -5.3254 -5.3254 -5.3254 -5.3254 -5.2873 -5.2873 -5.2873 -5.2873 -4.8496 -4.8496 -4.8496 -4.8496 -4.7691 -4.7691 -4.7691 -4.7691 -4.6405 -4.6405 -4.6405 -4.6405 6.8567 6.8567 6.8567 6.8567 8.3124 8.3124 8.3124 8.3124 11.7785 11.7785 11.7785 11.7785 14.1532 14.1532 k = 0.0134 0.7900 0.6807 ( 1252 PWs) bands (ev): -5.3265 -5.3265 -5.3245 -5.3245 -5.2874 -5.2874 -5.2869 -5.2869 -4.8518 -4.8518 -4.8474 -4.8474 -4.7706 -4.7706 -4.7675 -4.7675 -4.6436 -4.6436 -4.6375 -4.6375 6.8580 6.8580 6.8583 6.8583 8.3116 8.3116 8.3132 8.3132 11.7595 11.7595 11.7679 11.7679 14.1682 14.1682 k = 0.0268 0.7900 0.6807 ( 1252 PWs) bands (ev): -5.3278 -5.3278 -5.3240 -5.3240 -5.2872 -5.2872 -5.2861 -5.2861 -4.8540 -4.8540 -4.8453 -4.8453 -4.7720 -4.7720 -4.7659 -4.7659 -4.6468 -4.6468 -4.6347 -4.6347 6.8620 6.8620 6.8626 6.8626 8.3105 8.3105 8.3138 8.3138 11.7129 11.7129 11.7291 11.7291 14.2195 14.2195 k = 0.0403 0.7900 0.6807 ( 1254 PWs) bands (ev): -5.3292 -5.3292 -5.3237 -5.3237 -5.2866 -5.2866 -5.2851 -5.2851 -4.8563 -4.8563 -4.8434 -4.8434 -4.7734 -4.7734 -4.7642 -4.7642 -4.6502 -4.6502 -4.6320 -4.6320 6.8689 6.8689 6.8698 6.8698 8.3093 8.3093 8.3143 8.3143 11.6424 11.6424 11.6656 11.6656 14.3034 14.3034 k = 0.0537 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3308 -5.3308 -5.3236 -5.3236 -5.2856 -5.2856 -5.2839 -5.2839 -4.8586 -4.8586 -4.8414 -4.8414 -4.7747 -4.7747 -4.7625 -4.7625 -4.6535 -4.6535 -4.6294 -4.6294 6.8785 6.8785 6.8797 6.8797 8.3076 8.3076 8.3144 8.3144 11.5532 11.5532 11.5823 11.5823 14.4153 14.4153 k = 0.0671 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3324 -5.3324 -5.3238 -5.3238 -5.2843 -5.2843 -5.2826 -5.2826 -4.8610 -4.8610 -4.8396 -4.8396 -4.7759 -4.7759 -4.7607 -4.7607 -4.6570 -4.6570 -4.6270 -4.6270 6.8909 6.8909 6.8923 6.8923 8.3054 8.3054 8.3140 8.3140 11.4502 11.4502 11.4844 11.4844 14.5500 14.5500 k = 0.0805 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3340 -5.3340 -5.3242 -5.3242 -5.2829 -5.2829 -5.2811 -5.2811 -4.8633 -4.8633 -4.8379 -4.8379 -4.7770 -4.7770 -4.7589 -4.7589 -4.6605 -4.6605 -4.6247 -4.6247 6.9060 6.9060 6.9076 6.9076 8.3023 8.3023 8.3128 8.3128 11.3380 11.3380 11.3765 11.3765 14.7031 14.7031 k = 0.0939 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3356 -5.3356 -5.3248 -5.3248 -5.2812 -5.2812 -5.2796 -5.2796 -4.8656 -4.8656 -4.8363 -4.8363 -4.7781 -4.7781 -4.7570 -4.7570 -4.6641 -4.6641 -4.6226 -4.6226 6.9238 6.9238 6.9256 6.9256 8.2981 8.2981 8.3106 8.3106 11.2203 11.2203 11.2626 11.2626 14.8708 14.8708 k = 0.1074 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3372 -5.3372 -5.3254 -5.3254 -5.2793 -5.2793 -5.2780 -5.2780 -4.8679 -4.8679 -4.8348 -4.8348 -4.7791 -4.7791 -4.7551 -4.7551 -4.6677 -4.6677 -4.6207 -4.6207 6.9442 6.9442 6.9461 6.9461 8.2923 8.2923 8.3070 8.3070 11.1002 11.1002 11.1460 11.1460 15.0503 15.0503 k = 0.1208 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3387 -5.3387 -5.3260 -5.3260 -5.2775 -5.2775 -5.2765 -5.2765 -4.8701 -4.8701 -4.8333 -4.8333 -4.7799 -4.7799 -4.7532 -4.7532 -4.6713 -4.6713 -4.6190 -4.6190 6.9670 6.9670 6.9691 6.9691 8.2845 8.2845 8.3016 8.3016 10.9803 10.9803 11.0293 11.0293 15.2390 15.2390 k = 0.1342 0.7900 0.6807 ( 1248 PWs) bands (ev): -5.3400 -5.3400 -5.3267 -5.3267 -5.2756 -5.2756 -5.2749 -5.2749 -4.8722 -4.8722 -4.8320 -4.8320 -4.7808 -4.7808 -4.7512 -4.7512 -4.6750 -4.6750 -4.6174 -4.6174 6.9923 6.9923 6.9943 6.9943 8.2743 8.2743 8.2939 8.2939 10.8627 10.8627 10.9147 10.9147 15.4351 15.4351 k = 0.1476 0.7900 0.6807 ( 1246 PWs) bands (ev): -5.3413 -5.3413 -5.3273 -5.3273 -5.2737 -5.2737 -5.2733 -5.2733 -4.8743 -4.8743 -4.8308 -4.8308 -4.7815 -4.7815 -4.7493 -4.7493 -4.6786 -4.6786 -4.6160 -4.6160 7.0198 7.0198 7.0217 7.0217 8.2612 8.2612 8.2833 8.2833 10.7494 10.7494 10.8043 10.8043 15.6369 15.6369 k = 0.1610 0.7900 0.6807 ( 1240 PWs) bands (ev): -5.3424 -5.3424 -5.3279 -5.3279 -5.2718 -5.2718 -5.2718 -5.2718 -4.8761 -4.8761 -4.8297 -4.8297 -4.7821 -4.7821 -4.7473 -4.7473 -4.6821 -4.6821 -4.6148 -4.6148 7.0493 7.0493 7.0511 7.0511 8.2446 8.2446 8.2694 8.2694 10.6420 10.6420 10.6996 10.6996 15.8429 15.8429 k = 0.1745 0.7900 0.6807 ( 1240 PWs) bands (ev): -5.3435 -5.3435 -5.3284 -5.3284 -5.2705 -5.2705 -5.2701 -5.2701 -4.8779 -4.8779 -4.8287 -4.8287 -4.7827 -4.7827 -4.7453 -4.7453 -4.6857 -4.6857 -4.6139 -4.6139 7.0805 7.0805 7.0820 7.0820 8.2240 8.2240 8.2516 8.2516 10.5419 10.5419 10.6022 10.6022 16.0514 16.0514 k = 0.1879 0.7900 0.6807 ( 1240 PWs) bands (ev): -5.3444 -5.3444 -5.3289 -5.3289 -5.2691 -5.2691 -5.2685 -5.2685 -4.8795 -4.8795 -4.8279 -4.8279 -4.7832 -4.7832 -4.7434 -4.7434 -4.6892 -4.6892 -4.6131 -4.6131 7.1131 7.1131 7.1141 7.1141 8.1992 8.1992 8.2297 8.2297 10.4505 10.4505 10.5132 10.5132 16.2607 16.2607 k = 0.2013 0.7900 0.6807 ( 1244 PWs) bands (ev): -5.3451 -5.3451 -5.3293 -5.3293 -5.2680 -5.2680 -5.2672 -5.2672 -4.8810 -4.8810 -4.8272 -4.8272 -4.7836 -4.7836 -4.7415 -4.7415 -4.6926 -4.6926 -4.6126 -4.6126 7.1463 7.1463 7.1467 7.1467 8.1702 8.1702 8.2035 8.2035 10.3690 10.3690 10.4340 10.4340 16.4688 16.4688 k = 0.2147 0.7900 0.6807 ( 1242 PWs) bands (ev): -5.3457 -5.3457 -5.3295 -5.3295 -5.2669 -5.2669 -5.2659 -5.2659 -4.8822 -4.8822 -4.8266 -4.8266 -4.7839 -4.7839 -4.7396 -4.7396 -4.6958 -4.6958 -4.6122 -4.6122 7.1790 7.1790 7.1795 7.1795 8.1371 8.1371 8.1733 8.1733 10.2983 10.2983 10.3652 10.3652 16.6729 16.6729 k = 0.2281 0.7900 0.6807 ( 1244 PWs) bands (ev): -5.3461 -5.3461 -5.3297 -5.3297 -5.2659 -5.2659 -5.2649 -5.2649 -4.8833 -4.8833 -4.8261 -4.8261 -4.7842 -4.7842 -4.7378 -4.7378 -4.6989 -4.6989 -4.6121 -4.6121 7.2098 7.2098 7.2114 7.2114 8.1010 8.1010 8.1400 8.1400 10.2390 10.2390 10.3075 10.3075 16.8688 16.8688 k = 0.2416 0.7900 0.6807 ( 1246 PWs) bands (ev): -5.3464 -5.3464 -5.3298 -5.3298 -5.2651 -5.2651 -5.2640 -5.2640 -4.8841 -4.8841 -4.8258 -4.8258 -4.7844 -4.7844 -4.7363 -4.7363 -4.7016 -4.7016 -4.6122 -4.6122 7.2372 7.2372 7.2402 7.2402 8.0635 8.0635 8.1052 8.1052 10.1914 10.1914 10.2613 10.2613 17.0506 17.0506 k = 0.2550 0.7900 0.6807 ( 1248 PWs) bands (ev): -5.3465 -5.3465 -5.3297 -5.3297 -5.2644 -5.2644 -5.2634 -5.2634 -4.8847 -4.8847 -4.8256 -4.8256 -4.7846 -4.7846 -4.7350 -4.7350 -4.7040 -4.7040 -4.6125 -4.6125 7.2589 7.2589 7.2633 7.2633 8.0273 8.0273 8.0715 8.0715 10.1557 10.1557 10.2265 10.2265 17.2095 17.2095 k = 0.2684 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3465 -5.3465 -5.3296 -5.3296 -5.2639 -5.2639 -5.2631 -5.2631 -4.8850 -4.8850 -4.8255 -4.8255 -4.7846 -4.7846 -4.7342 -4.7342 -4.7059 -4.7059 -4.6130 -4.6130 7.2715 7.2715 7.2774 7.2774 7.9963 7.9963 8.0425 8.0425 10.1316 10.1316 10.2029 10.2029 17.3346 17.3346 k = 0.2818 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3463 -5.3463 -5.3293 -5.3293 -5.2634 -5.2634 -5.2629 -5.2629 -4.8851 -4.8851 -4.8256 -4.8256 -4.7846 -4.7846 -4.7339 -4.7339 -4.7071 -4.7071 -4.6136 -4.6136 7.2715 7.2715 7.2784 7.2784 7.9751 7.9751 8.0226 8.0226 10.1185 10.1185 10.1901 10.1901 17.4149 17.4149 k = 0.2818 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3463 -5.3463 -5.3293 -5.3293 -5.2634 -5.2634 -5.2629 -5.2629 -4.8851 -4.8851 -4.8256 -4.8256 -4.7846 -4.7846 -4.7339 -4.7339 -4.7071 -4.7071 -4.6136 -4.6136 7.2715 7.2715 7.2784 7.2784 7.9751 7.9751 8.0226 8.0226 10.1185 10.1185 10.1901 10.1901 17.4149 17.4149 k = 0.2773 0.7773 0.6807 ( 1250 PWs) bands (ev): -5.3471 -5.3471 -5.3303 -5.3303 -5.2644 -5.2644 -5.2630 -5.2630 -4.8852 -4.8852 -4.8252 -4.8252 -4.7848 -4.7848 -4.7338 -4.7338 -4.7048 -4.7048 -4.6114 -4.6114 7.2747 7.2747 7.2790 7.2790 8.0335 8.0335 8.0775 8.0775 10.1521 10.1521 10.2230 10.2230 17.2493 17.2493 k = 0.2727 0.7646 0.6807 ( 1250 PWs) bands (ev): -5.3479 -5.3479 -5.3313 -5.3313 -5.2653 -5.2653 -5.2629 -5.2629 -4.8852 -4.8852 -4.8247 -4.8247 -4.7852 -4.7852 -4.7338 -4.7338 -4.7028 -4.7028 -4.6094 -4.6094 7.2405 7.2405 7.2415 7.2415 8.1194 8.1194 8.1588 8.1588 10.2043 10.2043 10.2741 10.2741 17.0854 17.0854 k = 0.2682 0.7518 0.6807 ( 1246 PWs) bands (ev): -5.3486 -5.3486 -5.3321 -5.3321 -5.2661 -5.2661 -5.2628 -5.2628 -4.8851 -4.8851 -4.8242 -4.8242 -4.7856 -4.7856 -4.7338 -4.7338 -4.7011 -4.7011 -4.6075 -4.6075 7.1737 7.1737 7.1755 7.1755 8.2277 8.2277 8.2626 8.2626 10.2723 10.2723 10.3408 10.3408 16.9234 16.9234 k = 0.2636 0.7391 0.6807 ( 1250 PWs) bands (ev): -5.3492 -5.3492 -5.3330 -5.3330 -5.2668 -5.2668 -5.2627 -5.2627 -4.8849 -4.8849 -4.8236 -4.8236 -4.7861 -4.7861 -4.7338 -4.7338 -4.6998 -4.6998 -4.6059 -4.6059 7.0843 7.0843 7.0880 7.0880 8.3518 8.3518 8.3833 8.3833 10.3533 10.3533 10.4205 10.4205 16.7633 16.7633 k = 0.2591 0.7263 0.6807 ( 1246 PWs) bands (ev): -5.3498 -5.3498 -5.3337 -5.3337 -5.2674 -5.2674 -5.2626 -5.2626 -4.8847 -4.8847 -4.8229 -4.8229 -4.7867 -4.7867 -4.7339 -4.7339 -4.6987 -4.6987 -4.6045 -4.6045 6.9801 6.9801 6.9849 6.9849 8.4874 8.4874 8.5161 8.5161 10.4451 10.4451 10.5110 10.5110 16.6052 16.6052 k = 0.2545 0.7136 0.6807 ( 1250 PWs) bands (ev): -5.3504 -5.3504 -5.3343 -5.3343 -5.2680 -5.2680 -5.2624 -5.2624 -4.8844 -4.8844 -4.8221 -4.8221 -4.7874 -4.7874 -4.7340 -4.7340 -4.6979 -4.6979 -4.6034 -4.6034 6.8657 6.8657 6.8709 6.8709 8.6314 8.6314 8.6581 8.6581 10.5455 10.5455 10.6103 10.6103 16.4493 16.4493 k = 0.2500 0.7008 0.6807 ( 1246 PWs) bands (ev): -5.3508 -5.3508 -5.3349 -5.3349 -5.2684 -5.2684 -5.2621 -5.2621 -4.8840 -4.8840 -4.8213 -4.8213 -4.7882 -4.7882 -4.7341 -4.7341 -4.6975 -4.6975 -4.6024 -4.6024 6.7443 6.7443 6.7496 6.7496 8.7820 8.7820 8.8072 8.8072 10.6530 10.6530 10.7168 10.7168 16.2955 16.2955 k = 0.2454 0.6881 0.6807 ( 1246 PWs) bands (ev): -5.3512 -5.3512 -5.3353 -5.3353 -5.2687 -5.2687 -5.2619 -5.2619 -4.8835 -4.8835 -4.8203 -4.8203 -4.7891 -4.7891 -4.7343 -4.7343 -4.6974 -4.6974 -4.6017 -4.6017 6.6182 6.6182 6.6233 6.6233 8.9382 8.9382 8.9622 8.9622 10.7661 10.7661 10.8290 10.8290 16.1439 16.1439 k = 0.2409 0.6754 0.6807 ( 1254 PWs) bands (ev): -5.3516 -5.3516 -5.3357 -5.3357 -5.2690 -5.2690 -5.2616 -5.2616 -4.8831 -4.8831 -4.8194 -4.8194 -4.7901 -4.7901 -4.7345 -4.7345 -4.6976 -4.6976 -4.6013 -4.6013 6.4891 6.4891 6.4939 6.4939 9.0991 9.0991 9.1222 9.1222 10.8835 10.8835 10.9458 10.9458 15.9947 15.9947 k = 0.2364 0.6626 0.6807 ( 1258 PWs) bands (ev): -5.3518 -5.3518 -5.3359 -5.3359 -5.2692 -5.2692 -5.2613 -5.2613 -4.8825 -4.8825 -4.8183 -4.8183 -4.7911 -4.7911 -4.7348 -4.7348 -4.6982 -4.6982 -4.6011 -4.6011 6.3581 6.3581 6.3626 6.3626 9.2644 9.2644 9.2868 9.2868 11.0042 11.0042 11.0661 11.0661 15.8478 15.8478 k = 0.2318 0.6499 0.6807 ( 1258 PWs) bands (ev): -5.3520 -5.3520 -5.3360 -5.3360 -5.2693 -5.2693 -5.2609 -5.2609 -4.8819 -4.8819 -4.8172 -4.8172 -4.7922 -4.7922 -4.7351 -4.7351 -4.6990 -4.6990 -4.6011 -4.6011 6.2262 6.2262 6.2303 6.2303 9.4337 9.4337 9.4556 9.4556 11.1274 11.1274 11.1890 11.1890 15.7034 15.7034 k = 0.2273 0.6371 0.6807 ( 1258 PWs) bands (ev): -5.3520 -5.3520 -5.3360 -5.3360 -5.2693 -5.2693 -5.2606 -5.2606 -4.8813 -4.8813 -4.8160 -4.8160 -4.7934 -4.7934 -4.7353 -4.7353 -4.7001 -4.7001 -4.6013 -4.6013 6.0941 6.0941 6.0978 6.0978 9.6068 9.6068 9.6282 9.6282 11.2521 11.2521 11.3136 11.3136 15.5615 15.5615 k = 0.2227 0.6244 0.6807 ( 1258 PWs) bands (ev): -5.3520 -5.3520 -5.3359 -5.3359 -5.2693 -5.2693 -5.2602 -5.2602 -4.8806 -4.8806 -4.8147 -4.8147 -4.7946 -4.7946 -4.7357 -4.7357 -4.7016 -4.7016 -4.6017 -4.6017 5.9624 5.9624 5.9657 5.9657 9.7833 9.7833 9.8044 9.8044 11.3774 11.3774 11.4391 11.4391 15.4222 15.4222 k = 0.2182 0.6116 0.6807 ( 1258 PWs) bands (ev): -5.3520 -5.3520 -5.3356 -5.3356 -5.2691 -5.2691 -5.2598 -5.2598 -4.8798 -4.8798 -4.8133 -4.8133 -4.7958 -4.7958 -4.7360 -4.7360 -4.7033 -4.7033 -4.6024 -4.6024 5.8314 5.8314 5.8344 5.8344 9.9633 9.9633 9.9842 9.9842 11.5027 11.5027 11.5645 11.5645 15.2856 15.2856 k = 0.2136 0.5989 0.6807 ( 1262 PWs) bands (ev): -5.3518 -5.3518 -5.3353 -5.3353 -5.2689 -5.2689 -5.2595 -5.2595 -4.8791 -4.8791 -4.8120 -4.8120 -4.7972 -4.7972 -4.7364 -4.7364 -4.7053 -4.7053 -4.6033 -4.6033 5.7016 5.7016 5.7042 5.7042 10.1466 10.1466 10.1673 10.1673 11.6269 11.6269 11.6892 11.6892 15.1516 15.1516 k = 0.2091 0.5862 0.6807 ( 1258 PWs) bands (ev): -5.3516 -5.3516 -5.3348 -5.3348 -5.2686 -5.2686 -5.2591 -5.2591 -4.8783 -4.8783 -4.8106 -4.8106 -4.7985 -4.7985 -4.7368 -4.7368 -4.7075 -4.7075 -4.6043 -4.6043 5.5732 5.5732 5.5755 5.5755 10.3331 10.3331 10.3536 10.3536 11.7493 11.7493 11.8121 11.8121 15.0204 15.0204 k = 0.2045 0.5734 0.6807 ( 1254 PWs) bands (ev): -5.3512 -5.3512 -5.3342 -5.3342 -5.2683 -5.2683 -5.2588 -5.2588 -4.8775 -4.8775 -4.8091 -4.8091 -4.7998 -4.7998 -4.7373 -4.7373 -4.7100 -4.7100 -4.6054 -4.6054 5.4465 5.4465 5.4485 5.4485 10.5226 10.5226 10.5431 10.5431 11.8690 11.8690 11.9323 11.9323 14.8921 14.8921 k = 0.2000 0.5607 0.6807 ( 1250 PWs) bands (ev): -5.3508 -5.3508 -5.3335 -5.3335 -5.2679 -5.2679 -5.2584 -5.2584 -4.8767 -4.8767 -4.8075 -4.8075 -4.8011 -4.8011 -4.7377 -4.7377 -4.7127 -4.7127 -4.6068 -4.6068 5.3216 5.3216 5.3234 5.3234 10.7152 10.7152 10.7355 10.7355 11.9849 11.9849 12.0490 12.0490 14.7667 14.7667 k = 0.1954 0.5479 0.6807 ( 1250 PWs) bands (ev): -5.3504 -5.3504 -5.3327 -5.3327 -5.2675 -5.2675 -5.2581 -5.2581 -4.8760 -4.8760 -4.8060 -4.8060 -4.8025 -4.8025 -4.7382 -4.7382 -4.7157 -4.7157 -4.6083 -4.6083 5.1987 5.1987 5.2003 5.2003 10.9105 10.9105 10.9309 10.9309 12.0961 12.0961 12.1610 12.1610 14.6443 14.6443 k = 0.1909 0.5352 0.6807 ( 1250 PWs) bands (ev): -5.3498 -5.3498 -5.3318 -5.3318 -5.2671 -5.2671 -5.2579 -5.2579 -4.8753 -4.8753 -4.8045 -4.8045 -4.8038 -4.8038 -4.7387 -4.7387 -4.7188 -4.7188 -4.6100 -4.6100 5.0780 5.0780 5.0793 5.0793 11.1086 11.1086 11.1291 11.1291 12.2016 12.2016 12.2673 12.2673 14.5252 14.5252 k = 0.1864 0.5224 0.6807 ( 1248 PWs) bands (ev): -5.3492 -5.3492 -5.3308 -5.3308 -5.2666 -5.2666 -5.2577 -5.2577 -4.8746 -4.8746 -4.8050 -4.8050 -4.8030 -4.8030 -4.7391 -4.7391 -4.7220 -4.7220 -4.6118 -4.6118 4.9596 4.9596 4.9607 4.9607 11.3093 11.3093 11.3299 11.3299 12.3003 12.3003 12.3669 12.3669 14.4093 14.4093 k = 0.1818 0.5097 0.6807 ( 1248 PWs) bands (ev): -5.3486 -5.3486 -5.3297 -5.3297 -5.2660 -5.2660 -5.2575 -5.2575 -4.8740 -4.8740 -4.8062 -4.8062 -4.8016 -4.8016 -4.7396 -4.7396 -4.7253 -4.7253 -4.6138 -4.6138 4.8435 4.8435 4.8444 4.8444 11.5122 11.5122 11.5331 11.5331 12.3912 12.3912 12.4589 12.4589 14.2970 14.2970 k = 0.1773 0.4970 0.6807 ( 1244 PWs) bands (ev): -5.3479 -5.3479 -5.3285 -5.3285 -5.2655 -5.2655 -5.2574 -5.2574 -4.8735 -4.8735 -4.8072 -4.8072 -4.8001 -4.8001 -4.7401 -4.7401 -4.7287 -4.7287 -4.6158 -4.6158 4.7298 4.7298 4.7306 4.7306 11.7172 11.7172 11.7385 11.7385 12.4735 12.4735 12.5423 12.5423 14.1884 14.1884 k = 0.1727 0.4842 0.6807 ( 1240 PWs) bands (ev): -5.3472 -5.3472 -5.3272 -5.3272 -5.2649 -5.2649 -5.2574 -5.2574 -4.8731 -4.8731 -4.8082 -4.8082 -4.7989 -4.7989 -4.7407 -4.7407 -4.7321 -4.7321 -4.6179 -4.6179 4.6186 4.6186 4.6193 4.6193 11.9234 11.9234 11.9455 11.9455 12.5463 12.5463 12.6166 12.6166 14.0839 14.0839 k = 0.1682 0.4715 0.6807 ( 1244 PWs) bands (ev): -5.3465 -5.3465 -5.3259 -5.3259 -5.2643 -5.2643 -5.2575 -5.2575 -4.8728 -4.8728 -4.8090 -4.8090 -4.7978 -4.7978 -4.7413 -4.7413 -4.7354 -4.7354 -4.6201 -4.6201 4.5100 4.5100 4.5105 4.5105 12.1298 12.1298 12.1535 12.1535 12.6094 12.6094 12.6819 12.6819 13.9841 13.9841 k = 0.1636 0.4587 0.6807 ( 1248 PWs) bands (ev): -5.3457 -5.3457 -5.3245 -5.3245 -5.2637 -5.2637 -5.2577 -5.2577 -4.8727 -4.8727 -4.8097 -4.8097 -4.7969 -4.7969 -4.7423 -4.7423 -4.7382 -4.7382 -4.6224 -4.6224 4.4040 4.4040 4.4044 4.4044 12.3337 12.3337 12.3604 12.3604 12.6631 12.6631 12.7395 12.7395 13.8896 13.8896 k = 0.1591 0.4460 0.6807 ( 1248 PWs) bands (ev): -5.3449 -5.3449 -5.3231 -5.3231 -5.2632 -5.2632 -5.2580 -5.2580 -4.8726 -4.8726 -4.8102 -4.8102 -4.7963 -4.7963 -4.7442 -4.7442 -4.7398 -4.7398 -4.6247 -4.6247 4.3007 4.3007 4.3010 4.3010 12.5266 12.5266 12.5593 12.5593 12.7129 12.7129 12.7963 12.7963 13.8022 13.8022 k = 0.1545 0.4332 0.6807 ( 1256 PWs) bands (ev): -5.3442 -5.3442 -5.3217 -5.3217 -5.2626 -5.2626 -5.2584 -5.2584 -4.8728 -4.8728 -4.8105 -4.8105 -4.7960 -4.7960 -4.7469 -4.7469 -4.7405 -4.7405 -4.6271 -4.6271 4.2001 4.2001 4.2003 4.2003 12.6784 12.6784 12.6942 12.6942 12.8111 12.8111 12.8796 12.8796 13.7247 13.7247 k = 0.1500 0.4205 0.6807 ( 1252 PWs) bands (ev): -5.3434 -5.3434 -5.3201 -5.3201 -5.2620 -5.2620 -5.2588 -5.2588 -4.8730 -4.8730 -4.8106 -4.8106 -4.7960 -4.7960 -4.7497 -4.7497 -4.7406 -4.7406 -4.6295 -4.6295 4.1022 4.1022 4.1024 4.1024 12.7300 12.7300 12.7493 12.7493 12.9856 12.9856 13.0218 13.0218 13.6647 13.6647 k = 0.1454 0.4078 0.6807 ( 1252 PWs) bands (ev): -5.3426 -5.3426 -5.3186 -5.3186 -5.2615 -5.2615 -5.2594 -5.2594 -4.8734 -4.8734 -4.8105 -4.8105 -4.7965 -4.7965 -4.7523 -4.7523 -4.7404 -4.7404 -4.6318 -4.6318 4.0071 4.0071 4.0072 4.0072 12.7409 12.7409 12.7715 12.7715 13.1425 13.1425 13.1700 13.1700 13.6437 13.6437 k = 0.1409 0.3950 0.6807 ( 1252 PWs) bands (ev): -5.3419 -5.3419 -5.3170 -5.3170 -5.2610 -5.2610 -5.2600 -5.2600 -4.8738 -4.8738 -4.8103 -4.8103 -4.7974 -4.7974 -4.7547 -4.7547 -4.7400 -4.7400 -4.6342 -4.6342 3.9148 3.9148 3.9148 3.9148 12.7394 12.7394 12.7724 12.7724 13.2341 13.2341 13.2526 13.2526 13.7066 13.7066 k = 0.1364 0.3823 0.6807 ( 1248 PWs) bands (ev): -5.3411 -5.3411 -5.3155 -5.3155 -5.2607 -5.2607 -5.2604 -5.2604 -4.8744 -4.8744 -4.8098 -4.8098 -4.7988 -4.7988 -4.7569 -4.7569 -4.7394 -4.7394 -4.6365 -4.6365 3.8253 3.8253 3.8253 3.8253 12.7277 12.7277 12.7597 12.7597 13.2484 13.2484 13.2546 13.2546 13.8615 13.8615 k = 0.1318 0.3695 0.6807 ( 1248 PWs) bands (ev): -5.3404 -5.3404 -5.3140 -5.3140 -5.2616 -5.2616 -5.2600 -5.2600 -4.8750 -4.8750 -4.8092 -4.8092 -4.8006 -4.8006 -4.7588 -4.7588 -4.7385 -4.7385 -4.6389 -4.6389 3.7386 3.7386 3.7387 3.7387 12.7072 12.7072 12.7364 12.7364 13.2198 13.2198 13.2203 13.2203 14.0624 14.0624 k = 0.1273 0.3568 0.6807 ( 1248 PWs) bands (ev): -5.3398 -5.3398 -5.3125 -5.3125 -5.2625 -5.2625 -5.2595 -5.2595 -4.8757 -4.8757 -4.8085 -4.8085 -4.8028 -4.8028 -4.7605 -4.7605 -4.7374 -4.7374 -4.6412 -4.6412 3.6547 3.6547 3.6548 3.6548 12.6789 12.6789 12.7045 12.7045 13.1742 13.1742 13.1766 13.1766 14.2822 14.2822 k = 0.1227 0.3440 0.6807 ( 1248 PWs) bands (ev): -5.3392 -5.3392 -5.3111 -5.3111 -5.2636 -5.2636 -5.2591 -5.2591 -4.8764 -4.8764 -4.8076 -4.8076 -4.8053 -4.8053 -4.7621 -4.7621 -4.7361 -4.7361 -4.6435 -4.6435 3.5738 3.5738 3.5739 3.5739 12.6441 12.6441 12.6655 12.6655 13.1264 13.1264 13.1283 13.1283 14.5116 14.5116 k = 0.1182 0.3313 0.6807 ( 1248 PWs) bands (ev): -5.3387 -5.3387 -5.3097 -5.3097 -5.2646 -5.2646 -5.2587 -5.2587 -4.8771 -4.8771 -4.8080 -4.8080 -4.8067 -4.8067 -4.7636 -4.7636 -4.7345 -4.7345 -4.6457 -4.6457 3.4957 3.4957 3.4958 3.4958 12.6040 12.6040 12.6212 12.6212 13.0793 13.0793 13.0796 13.0796 14.7467 14.7467 k = 0.1136 0.3186 0.6807 ( 1246 PWs) bands (ev): -5.3382 -5.3382 -5.3085 -5.3085 -5.2657 -5.2657 -5.2583 -5.2583 -4.8778 -4.8778 -4.8108 -4.8108 -4.8057 -4.8057 -4.7650 -4.7650 -4.7328 -4.7328 -4.6479 -4.6479 3.4205 3.4205 3.4206 3.4206 12.5598 12.5598 12.5731 12.5731 13.0319 13.0319 13.0336 13.0336 14.9860 14.9860 k = 0.1091 0.3058 0.6807 ( 1246 PWs) bands (ev): -5.3378 -5.3378 -5.3074 -5.3074 -5.2669 -5.2669 -5.2580 -5.2580 -4.8784 -4.8784 -4.8138 -4.8138 -4.8046 -4.8046 -4.7664 -4.7664 -4.7309 -4.7309 -4.6500 -4.6500 3.3482 3.3482 3.3484 3.3484 12.5126 12.5126 12.5224 12.5224 12.9859 12.9859 12.9896 12.9896 15.2286 15.2286 k = 0.1045 0.2931 0.6807 ( 1250 PWs) bands (ev): -5.3375 -5.3375 -5.3065 -5.3065 -5.2680 -5.2680 -5.2577 -5.2577 -4.8790 -4.8790 -4.8168 -4.8168 -4.8035 -4.8035 -4.7677 -4.7677 -4.7289 -4.7289 -4.6521 -4.6521 3.2788 3.2788 3.2790 3.2790 12.4636 12.4636 12.4703 12.4703 12.9417 12.9417 12.9470 12.9470 15.4737 15.4737 k = 0.1000 0.2803 0.6807 ( 1250 PWs) bands (ev): -5.3372 -5.3372 -5.3057 -5.3057 -5.2690 -5.2690 -5.2575 -5.2575 -4.8795 -4.8795 -4.8197 -4.8197 -4.8024 -4.8024 -4.7690 -4.7690 -4.7268 -4.7268 -4.6540 -4.6540 3.2123 3.2123 3.2125 3.2125 12.4136 12.4136 12.4178 12.4178 12.8992 12.8992 12.9059 12.9059 15.7211 15.7211 k = 0.0955 0.2676 0.6807 ( 1246 PWs) bands (ev): -5.3369 -5.3369 -5.3052 -5.3052 -5.2698 -5.2698 -5.2572 -5.2572 -4.8798 -4.8798 -4.8226 -4.8226 -4.8013 -4.8013 -4.7703 -4.7703 -4.7246 -4.7246 -4.6559 -4.6559 3.1488 3.1488 3.1490 3.1490 12.3634 12.3634 12.3655 12.3655 12.8584 12.8584 12.8662 12.8662 15.9704 15.9704 k = 0.0909 0.2549 0.6807 ( 1242 PWs) bands (ev): -5.3367 -5.3367 -5.3049 -5.3049 -5.2706 -5.2706 -5.2570 -5.2570 -4.8801 -4.8801 -4.8254 -4.8254 -4.8002 -4.8002 -4.7716 -4.7716 -4.7223 -4.7223 -4.6577 -4.6577 3.0882 3.0882 3.0884 3.0884 12.3136 12.3136 12.3141 12.3141 12.8193 12.8193 12.8278 12.8278 16.2213 16.2213 k = 0.0864 0.2421 0.6807 ( 1246 PWs) bands (ev): -5.3366 -5.3366 -5.3050 -5.3050 -5.2712 -5.2712 -5.2569 -5.2569 -4.8802 -4.8802 -4.8282 -4.8282 -4.7991 -4.7991 -4.7729 -4.7729 -4.7200 -4.7200 -4.6595 -4.6595 3.0305 3.0305 3.0307 3.0307 12.2639 12.2639 12.2648 12.2648 12.7817 12.7817 12.7907 12.7907 16.4735 16.4735 k = 0.0818 0.2294 0.6807 ( 1242 PWs) bands (ev): -5.3366 -5.3366 -5.3054 -5.3054 -5.2715 -5.2715 -5.2568 -5.2568 -4.8802 -4.8802 -4.8308 -4.8308 -4.7981 -4.7981 -4.7742 -4.7742 -4.7176 -4.7176 -4.6612 -4.6612 2.9758 2.9758 2.9760 2.9760 12.2153 12.2153 12.2172 12.2172 12.7457 12.7457 12.7550 12.7550 16.7266 16.7266 k = 0.0773 0.2166 0.6807 ( 1242 PWs) bands (ev): -5.3366 -5.3366 -5.3061 -5.3061 -5.2717 -5.2717 -5.2567 -5.2567 -4.8801 -4.8801 -4.8334 -4.8334 -4.7971 -4.7971 -4.7754 -4.7754 -4.7153 -4.7153 -4.6628 -4.6628 2.9240 2.9240 2.9242 2.9242 12.1686 12.1686 12.1712 12.1712 12.7113 12.7113 12.7207 12.7207 16.9803 16.9803 k = 0.0727 0.2039 0.6807 ( 1242 PWs) bands (ev): -5.3366 -5.3366 -5.3071 -5.3071 -5.2716 -5.2716 -5.2567 -5.2567 -4.8799 -4.8799 -4.8358 -4.8358 -4.7962 -4.7962 -4.7767 -4.7767 -4.7130 -4.7130 -4.6643 -4.6643 2.8752 2.8752 2.8754 2.8754 12.1240 12.1240 12.1271 12.1271 12.6786 12.6786 12.6879 12.6879 17.2341 17.2341 k = 0.0682 0.1911 0.6807 ( 1242 PWs) bands (ev): -5.3366 -5.3366 -5.3083 -5.3083 -5.2714 -5.2714 -5.2567 -5.2567 -4.8795 -4.8795 -4.8381 -4.8381 -4.7954 -4.7954 -4.7779 -4.7779 -4.7107 -4.7107 -4.6657 -4.6657 2.8293 2.8293 2.8295 2.8295 12.0816 12.0816 12.0851 12.0851 12.6476 12.6476 12.6567 12.6567 17.4877 17.4877 k = 0.0636 0.1784 0.6807 ( 1238 PWs) bands (ev): -5.3367 -5.3367 -5.3098 -5.3098 -5.2709 -5.2709 -5.2567 -5.2567 -4.8790 -4.8790 -4.8402 -4.8402 -4.7946 -4.7946 -4.7791 -4.7791 -4.7084 -4.7084 -4.6671 -4.6671 2.7864 2.7864 2.7866 2.7866 12.0416 12.0416 12.0453 12.0453 12.6183 12.6183 12.6270 12.6270 17.7403 17.7403 k = 0.0591 0.1657 0.6807 ( 1238 PWs) bands (ev): -5.3368 -5.3368 -5.3114 -5.3114 -5.2704 -5.2704 -5.2568 -5.2568 -4.8784 -4.8784 -4.8423 -4.8423 -4.7939 -4.7939 -4.7802 -4.7802 -4.7061 -4.7061 -4.6684 -4.6684 2.7464 2.7464 2.7466 2.7466 12.0041 12.0041 12.0079 12.0079 12.5908 12.5908 12.5991 12.5991 17.9913 17.9913 k = 0.0545 0.1529 0.6807 ( 1234 PWs) bands (ev): -5.3369 -5.3369 -5.3132 -5.3132 -5.2697 -5.2697 -5.2568 -5.2568 -4.8777 -4.8777 -4.8443 -4.8443 -4.7933 -4.7933 -4.7813 -4.7813 -4.7039 -4.7039 -4.6696 -4.6696 2.7094 2.7094 2.7095 2.7095 11.9691 11.9691 11.9729 11.9729 12.5651 12.5651 12.5730 12.5730 18.2398 18.2398 k = 0.0500 0.1402 0.6807 ( 1234 PWs) bands (ev): -5.3369 -5.3369 -5.3151 -5.3151 -5.2690 -5.2690 -5.2570 -5.2570 -4.8769 -4.8769 -4.8461 -4.8461 -4.7928 -4.7928 -4.7824 -4.7824 -4.7018 -4.7018 -4.6708 -4.6708 2.6753 2.6753 2.6755 2.6755 11.9368 11.9368 11.9405 11.9405 12.5413 12.5413 12.5487 12.5487 18.4849 18.4849 k = 0.0455 0.1274 0.6807 ( 1234 PWs) bands (ev): -5.3370 -5.3370 -5.3170 -5.3170 -5.2682 -5.2682 -5.2571 -5.2571 -4.8760 -4.8760 -4.8479 -4.8479 -4.7923 -4.7923 -4.7834 -4.7834 -4.6997 -4.6997 -4.6719 -4.6719 2.6442 2.6442 2.6444 2.6444 11.9071 11.9071 11.9107 11.9107 12.5195 12.5195 12.5263 12.5263 18.7251 18.7251 k = 0.0409 0.1147 0.6807 ( 1234 PWs) bands (ev): -5.3369 -5.3369 -5.3188 -5.3188 -5.2674 -5.2674 -5.2573 -5.2573 -4.8750 -4.8750 -4.8496 -4.8496 -4.7919 -4.7919 -4.7843 -4.7843 -4.6977 -4.6977 -4.6731 -4.6731 2.6161 2.6161 2.6162 2.6162 11.8802 11.8802 11.8836 11.8836 12.4997 12.4997 12.5059 12.5059 18.9590 18.9590 k = 0.0364 0.1019 0.6807 ( 1234 PWs) bands (ev): -5.3368 -5.3368 -5.3207 -5.3207 -5.2666 -5.2666 -5.2576 -5.2576 -4.8739 -4.8739 -4.8513 -4.8513 -4.7916 -4.7916 -4.7852 -4.7852 -4.6958 -4.6958 -4.6742 -4.6742 2.5909 2.5909 2.5910 2.5910 11.8561 11.8561 11.8592 11.8592 12.4819 12.4819 12.4875 12.4875 19.1844 19.1844 k = 0.0318 0.0892 0.6807 ( 1236 PWs) bands (ev): -5.3367 -5.3367 -5.3226 -5.3226 -5.2658 -5.2658 -5.2579 -5.2579 -4.8727 -4.8727 -4.8529 -4.8529 -4.7913 -4.7913 -4.7860 -4.7860 -4.6940 -4.6940 -4.6753 -4.6753 2.5687 2.5687 2.5688 2.5688 11.8347 11.8347 11.8375 11.8375 12.4661 12.4661 12.4710 12.4710 19.3988 19.3988 k = 0.0273 0.0765 0.6807 ( 1236 PWs) bands (ev): -5.3365 -5.3365 -5.3244 -5.3244 -5.2650 -5.2650 -5.2582 -5.2582 -4.8715 -4.8715 -4.8545 -4.8545 -4.7910 -4.7910 -4.7867 -4.7867 -4.6922 -4.6922 -4.6763 -4.6763 2.5494 2.5494 2.5495 2.5495 11.8162 11.8162 11.8186 11.8186 12.4524 12.4524 12.4567 12.4567 19.5991 19.5991 k = 0.0227 0.0637 0.6807 ( 1232 PWs) bands (ev): -5.3361 -5.3361 -5.3260 -5.3260 -5.2643 -5.2643 -5.2585 -5.2585 -4.8702 -4.8702 -4.8560 -4.8560 -4.7908 -4.7908 -4.7873 -4.7873 -4.6905 -4.6905 -4.6774 -4.6774 2.5331 2.5331 2.5332 2.5332 11.8006 11.8006 11.8026 11.8026 12.4409 12.4409 12.4445 12.4445 19.7817 19.7817 k = 0.0182 0.0510 0.6807 ( 1232 PWs) bands (ev): -5.3356 -5.3356 -5.3275 -5.3275 -5.2635 -5.2635 -5.2589 -5.2589 -4.8689 -4.8689 -4.8575 -4.8575 -4.7905 -4.7905 -4.7879 -4.7879 -4.6889 -4.6889 -4.6785 -4.6785 2.5198 2.5198 2.5198 2.5198 11.7878 11.7878 11.7895 11.7895 12.4315 12.4315 12.4343 12.4343 19.9419 19.9419 k = 0.0136 0.0382 0.6807 ( 1236 PWs) bands (ev): -5.3351 -5.3351 -5.3290 -5.3290 -5.2628 -5.2628 -5.2594 -5.2594 -4.8676 -4.8676 -4.8590 -4.8590 -4.7903 -4.7903 -4.7884 -4.7884 -4.6874 -4.6874 -4.6796 -4.6796 2.5094 2.5094 2.5095 2.5095 11.7779 11.7779 11.7792 11.7792 12.4242 12.4242 12.4264 12.4264 20.0749 20.0749 k = 0.0091 0.0255 0.6807 ( 1236 PWs) bands (ev): -5.3344 -5.3344 -5.3304 -5.3304 -5.2622 -5.2622 -5.2599 -5.2599 -4.8662 -4.8662 -4.8605 -4.8605 -4.7901 -4.7901 -4.7888 -4.7888 -4.6859 -4.6859 -4.6808 -4.6808 2.5020 2.5020 2.5020 2.5020 11.7709 11.7709 11.7717 11.7717 12.4191 12.4191 12.4205 12.4205 20.1753 20.1753 k = 0.0045 0.0127 0.6807 ( 1236 PWs) bands (ev): -5.3336 -5.3336 -5.3316 -5.3316 -5.2615 -5.2615 -5.2604 -5.2604 -4.8648 -4.8648 -4.8619 -4.8619 -4.7898 -4.7898 -4.7892 -4.7892 -4.6846 -4.6846 -4.6820 -4.6820 2.4976 2.4976 2.4976 2.4976 11.7667 11.7667 11.7672 11.7672 12.4162 12.4162 12.4169 12.4169 20.2387 20.2387 k = 0.0000 0.0000 0.6807 ( 1244 PWs) bands (ev): -5.3327 -5.3327 -5.3327 -5.3327 -5.2610 -5.2610 -5.2610 -5.2610 -4.8634 -4.8634 -4.8634 -4.8634 -4.7896 -4.7896 -4.7896 -4.7896 -4.6833 -4.6833 -4.6833 -4.6833 2.4961 2.4961 2.4961 2.4961 11.7655 11.7655 11.7655 11.7655 12.4154 12.4154 12.4154 12.4154 20.2615 20.2615 k = 0.0000 0.0000 0.6807 ( 1244 PWs) bands (ev): -5.3327 -5.3327 -5.3327 -5.3327 -5.2610 -5.2610 -5.2610 -5.2610 -4.8634 -4.8634 -4.8634 -4.8634 -4.7896 -4.7896 -4.7896 -4.7896 -4.6833 -4.6833 -4.6833 -4.6833 2.4961 2.4961 2.4961 2.4961 11.7655 11.7655 11.7655 11.7655 12.4154 12.4154 12.4154 12.4154 20.2615 20.2615 k = 0.0000 0.0000 0.6671 ( 1238 PWs) bands (ev): -5.3339 -5.3339 -5.3315 -5.3315 -5.2619 -5.2619 -5.2600 -5.2600 -4.8653 -4.8653 -4.8615 -4.8615 -4.7920 -4.7920 -4.7870 -4.7870 -4.6842 -4.6842 -4.6824 -4.6824 2.3454 2.3454 2.6496 2.6496 11.6316 11.6316 11.8710 11.8710 12.3341 12.3341 12.5311 12.5311 20.2271 20.2271 k = 0.0000 0.0000 0.6535 ( 1230 PWs) bands (ev): -5.3351 -5.3351 -5.3302 -5.3302 -5.2629 -5.2629 -5.2590 -5.2590 -4.8673 -4.8673 -4.8597 -4.8597 -4.7943 -4.7943 -4.7843 -4.7843 -4.6851 -4.6851 -4.6815 -4.6815 2.1974 2.1974 2.8059 2.8059 11.4889 11.4889 11.9031 11.9031 12.3323 12.3323 12.6615 12.6615 20.1862 20.1862 k = 0.0000 0.0000 0.6399 ( 1234 PWs) bands (ev): -5.3363 -5.3363 -5.3290 -5.3290 -5.2639 -5.2639 -5.2581 -5.2581 -4.8694 -4.8694 -4.8581 -4.8581 -4.7965 -4.7965 -4.7815 -4.7815 -4.6861 -4.6861 -4.6808 -4.6808 2.0523 2.0523 2.9648 2.9648 11.3436 11.3436 11.8483 11.8483 12.4232 12.4232 12.8003 12.8003 20.1394 20.1394 k = 0.0000 0.0000 0.6263 ( 1234 PWs) bands (ev): -5.3376 -5.3376 -5.3279 -5.3279 -5.2649 -5.2649 -5.2572 -5.2572 -4.8715 -4.8715 -4.8566 -4.8566 -4.7985 -4.7985 -4.7787 -4.7787 -4.6871 -4.6871 -4.6801 -4.6801 1.9100 1.9100 3.1265 3.1265 11.1985 11.1985 11.7530 11.7530 12.5605 12.5605 12.9448 12.9448 20.0873 20.0873 k = 0.0000 0.0000 0.6127 ( 1238 PWs) bands (ev): -5.3388 -5.3388 -5.3268 -5.3268 -5.2660 -5.2660 -5.2564 -5.2564 -4.8736 -4.8736 -4.8552 -4.8552 -4.8005 -4.8005 -4.7757 -4.7757 -4.6881 -4.6881 -4.6795 -4.6795 1.7707 1.7707 3.2907 3.2907 11.0546 11.0546 11.6451 11.6451 12.7163 12.7163 13.0940 13.0940 20.0303 20.0303 k = 0.0000 0.0000 0.5990 ( 1238 PWs) bands (ev): -5.3400 -5.3400 -5.3257 -5.3257 -5.2669 -5.2669 -5.2556 -5.2556 -4.8757 -4.8757 -4.8540 -4.8540 -4.8023 -4.8023 -4.7727 -4.7727 -4.6892 -4.6892 -4.6789 -4.6789 1.6342 1.6342 3.4574 3.4574 10.9126 10.9126 11.5341 11.5341 12.8813 12.8813 13.2473 13.2473 19.9690 19.9690 k = 0.0000 0.0000 0.5854 ( 1236 PWs) bands (ev): -5.3412 -5.3412 -5.3246 -5.3246 -5.2679 -5.2679 -5.2549 -5.2549 -4.8778 -4.8778 -4.8529 -4.8529 -4.8039 -4.8039 -4.7696 -4.7696 -4.6903 -4.6903 -4.6784 -4.6784 1.5007 1.5007 3.6267 3.6267 10.7727 10.7727 11.4232 11.4232 13.0521 13.0521 13.4043 13.4043 19.9041 19.9041 k = 0.0000 0.0000 0.5718 ( 1236 PWs) bands (ev): -5.3423 -5.3423 -5.3236 -5.3236 -5.2689 -5.2689 -5.2543 -5.2543 -4.8798 -4.8798 -4.8519 -4.8519 -4.8054 -4.8054 -4.7665 -4.7665 -4.6913 -4.6913 -4.6779 -4.6779 1.3701 1.3701 3.7983 3.7983 10.6352 10.6352 11.3139 11.3139 13.2272 13.2272 13.5648 13.5648 19.8361 19.8361 k = 0.0000 0.0000 0.5582 ( 1236 PWs) bands (ev): -5.3435 -5.3435 -5.3227 -5.3227 -5.2699 -5.2699 -5.2538 -5.2538 -4.8817 -4.8817 -4.8511 -4.8511 -4.8068 -4.8068 -4.7634 -4.7634 -4.6924 -4.6924 -4.6775 -4.6775 1.2426 1.2426 3.9723 3.9723 10.5003 10.5003 11.2071 11.2071 13.4059 13.4059 13.7287 13.7287 19.7655 19.7655 k = 0.0000 0.0000 0.5446 ( 1232 PWs) bands (ev): -5.3445 -5.3445 -5.3217 -5.3217 -5.2709 -5.2709 -5.2534 -5.2534 -4.8836 -4.8836 -4.8504 -4.8504 -4.8080 -4.8080 -4.7603 -4.7603 -4.6935 -4.6935 -4.6771 -4.6771 1.1180 1.1180 4.1486 4.1486 10.3680 10.3680 11.1032 11.1032 13.5879 13.5879 13.8958 13.8958 19.6929 19.6929 k = 0.0000 0.0000 0.5310 ( 1236 PWs) bands (ev): -5.3456 -5.3456 -5.3208 -5.3208 -5.2719 -5.2719 -5.2532 -5.2532 -4.8854 -4.8854 -4.8499 -4.8499 -4.8092 -4.8092 -4.7572 -4.7572 -4.6945 -4.6945 -4.6767 -4.6767 0.9964 0.9964 4.3270 4.3270 10.2384 10.2384 11.0024 11.0024 13.7727 13.7727 14.0661 14.0661 19.6186 19.6186 k = 0.0000 0.0000 0.5174 ( 1240 PWs) bands (ev): -5.3466 -5.3466 -5.3200 -5.3200 -5.2729 -5.2729 -5.2531 -5.2531 -4.8870 -4.8870 -4.8495 -4.8495 -4.8102 -4.8102 -4.7542 -4.7542 -4.6956 -4.6956 -4.6765 -4.6765 0.8778 0.8778 4.5075 4.5075 10.1116 10.1116 10.9051 10.9051 13.9602 13.9602 14.2396 14.2396 19.5431 19.5431 k = 0.0000 0.0000 0.5037 ( 1236 PWs) bands (ev): -5.3475 -5.3475 -5.3192 -5.3192 -5.2740 -5.2740 -5.2530 -5.2530 -4.8885 -4.8885 -4.8491 -4.8491 -4.8112 -4.8112 -4.7512 -4.7512 -4.6965 -4.6965 -4.6761 -4.6761 0.7622 0.7622 4.6898 4.6898 9.9876 9.9876 10.8113 10.8113 14.1503 14.1503 14.4161 14.4161 19.4669 19.4669 k = 0.0000 0.0000 0.4901 ( 1232 PWs) bands (ev): -5.3484 -5.3484 -5.3183 -5.3183 -5.2750 -5.2750 -5.2532 -5.2532 -4.8898 -4.8898 -4.8489 -4.8489 -4.8120 -4.8120 -4.7485 -4.7485 -4.6972 -4.6972 -4.6758 -4.6758 0.6498 0.6498 4.8740 4.8740 9.8665 9.8665 10.7213 10.7213 14.3430 14.3430 14.5956 14.5956 19.3903 19.3903 k = 0.0000 0.0000 0.4765 ( 1232 PWs) bands (ev): -5.3492 -5.3492 -5.3176 -5.3176 -5.2762 -5.2762 -5.2535 -5.2535 -4.8910 -4.8910 -4.8487 -4.8487 -4.8128 -4.8128 -4.7459 -4.7459 -4.6979 -4.6979 -4.6755 -4.6755 0.5403 0.5403 5.0597 5.0597 9.7482 9.7482 10.6352 10.6352 14.5380 14.5380 14.7780 14.7780 19.3136 19.3136 k = 0.0000 0.0000 0.4629 ( 1228 PWs) bands (ev): -5.3499 -5.3499 -5.3169 -5.3169 -5.2773 -5.2773 -5.2539 -5.2539 -4.8919 -4.8919 -4.8486 -4.8486 -4.8135 -4.8135 -4.7437 -4.7437 -4.6983 -4.6983 -4.6751 -4.6751 0.4340 0.4340 5.2468 5.2468 9.6329 9.6329 10.5532 10.5532 14.7355 14.7355 14.9634 14.9634 19.2370 19.2370 k = 0.0000 0.0000 0.4493 ( 1228 PWs) bands (ev): -5.3506 -5.3506 -5.3162 -5.3162 -5.2786 -5.2786 -5.2545 -5.2545 -4.8927 -4.8927 -4.8486 -4.8486 -4.8142 -4.8142 -4.7418 -4.7418 -4.6986 -4.6986 -4.6746 -4.6746 0.3307 0.3307 5.4351 5.4351 9.5206 9.5206 10.4756 10.4756 14.9351 14.9351 15.1516 15.1516 19.1610 19.1610 k = 0.0000 0.0000 0.4357 ( 1233 PWs) bands (ev): -5.3513 -5.3513 -5.3157 -5.3157 -5.2799 -5.2799 -5.2552 -5.2552 -4.8933 -4.8933 -4.8486 -4.8486 -4.8149 -4.8149 -4.7403 -4.7403 -4.6988 -4.6988 -4.6741 -4.6741 0.2305 0.2305 5.6242 5.6242 9.4112 9.4112 10.4026 10.4026 15.1367 15.1367 15.3426 15.3426 19.0856 19.0856 k = 0.0000 0.0000 0.4221 ( 1233 PWs) bands (ev): -5.3518 -5.3518 -5.3151 -5.3151 -5.2813 -5.2813 -5.2561 -5.2561 -4.8936 -4.8936 -4.8486 -4.8486 -4.8155 -4.8155 -4.7392 -4.7392 -4.6987 -4.6987 -4.6733 -4.6733 0.1333 0.1333 5.8138 5.8138 9.3049 9.3049 10.3345 10.3345 15.3405 15.3405 15.5363 15.5363 19.0111 19.0111 k = 0.0000 0.0000 0.4084 ( 1233 PWs) bands (ev): -5.3523 -5.3523 -5.3146 -5.3146 -5.2828 -5.2828 -5.2570 -5.2570 -4.8938 -4.8938 -4.8486 -4.8486 -4.8161 -4.8161 -4.7386 -4.7386 -4.6985 -4.6985 -4.6723 -4.6723 0.0393 0.0393 6.0034 6.0034 9.2016 9.2016 10.2717 10.2717 15.5463 15.5463 15.7328 15.7328 18.9377 18.9377 k = 0.0000 0.0000 0.3948 ( 1241 PWs) bands (ev): -5.3527 -5.3527 -5.3142 -5.3142 -5.2845 -5.2845 -5.2581 -5.2581 -4.8938 -4.8938 -4.8487 -4.8487 -4.8167 -4.8167 -4.7385 -4.7385 -4.6982 -4.6982 -4.6711 -4.6711 -0.0516 -0.0516 6.1927 6.1927 9.1014 9.1014 10.2147 10.2147 15.7538 15.7538 15.9319 15.9319 18.8656 18.8656 k = 0.0000 0.0000 0.3812 ( 1241 PWs) bands (ev): -5.3530 -5.3530 -5.3138 -5.3138 -5.2862 -5.2862 -5.2592 -5.2592 -4.8935 -4.8935 -4.8487 -4.8487 -4.8173 -4.8173 -4.7388 -4.7388 -4.6980 -4.6980 -4.6695 -4.6695 -0.1394 -0.1394 6.3808 6.3808 9.0043 9.0043 10.1640 10.1640 15.9631 15.9631 16.1336 16.1336 18.7950 18.7950 k = 0.0000 0.0000 0.3676 ( 1243 PWs) bands (ev): -5.3533 -5.3533 -5.3134 -5.3134 -5.2881 -5.2881 -5.2604 -5.2604 -4.8930 -4.8930 -4.8487 -4.8487 -4.8178 -4.8178 -4.7394 -4.7394 -4.6978 -4.6978 -4.6675 -4.6675 -0.2241 -0.2241 6.5672 6.5672 8.9104 8.9104 10.1202 10.1202 16.1740 16.1740 16.3379 16.3379 18.7259 18.7259 k = 0.0000 0.0000 0.3540 ( 1243 PWs) bands (ev): -5.3535 -5.3535 -5.3131 -5.3131 -5.2901 -5.2901 -5.2616 -5.2616 -4.8923 -4.8923 -4.8486 -4.8486 -4.8184 -4.8184 -4.7404 -4.7404 -4.6978 -4.6978 -4.6652 -4.6652 -0.3057 -0.3057 6.7508 6.7508 8.8196 8.8196 10.0844 10.0844 16.3862 16.3862 16.5446 16.5446 18.6585 18.6585 k = 0.0000 0.0000 0.3404 ( 1245 PWs) bands (ev): -5.3536 -5.3536 -5.3128 -5.3128 -5.2922 -5.2922 -5.2628 -5.2628 -4.8914 -4.8914 -4.8486 -4.8486 -4.8190 -4.8190 -4.7416 -4.7416 -4.6980 -4.6980 -4.6626 -4.6626 -0.3841 -0.3841 6.9305 6.9305 8.7320 8.7320 10.0575 10.0575 16.5996 16.5996 16.7536 16.7536 18.5930 18.5930 k = 0.0000 0.0000 0.3268 ( 1245 PWs) bands (ev): -5.3537 -5.3537 -5.3126 -5.3126 -5.2944 -5.2944 -5.2641 -5.2641 -4.8903 -4.8903 -4.8485 -4.8485 -4.8195 -4.8195 -4.7430 -4.7430 -4.6983 -4.6983 -4.6597 -4.6597 -0.4595 -0.4595 7.1051 7.1051 8.6476 8.6476 10.0407 10.0407 16.8141 16.8141 16.9649 16.9649 18.5294 18.5294 k = 0.0000 0.0000 0.3131 ( 1245 PWs) bands (ev): -5.3536 -5.3536 -5.3125 -5.3125 -5.2967 -5.2967 -5.2653 -5.2653 -4.8890 -4.8890 -4.8484 -4.8484 -4.8201 -4.8201 -4.7447 -4.7447 -4.6988 -4.6988 -4.6566 -4.6566 -0.5317 -0.5317 7.2728 7.2728 8.5665 8.5665 10.0355 10.0355 17.0294 17.0294 17.1782 17.1782 18.4678 18.4678 k = 0.0000 0.0000 0.2995 ( 1245 PWs) bands (ev): -5.3536 -5.3536 -5.3124 -5.3124 -5.2990 -5.2990 -5.2665 -5.2665 -4.8875 -4.8875 -4.8483 -4.8483 -4.8206 -4.8206 -4.7465 -4.7465 -4.6994 -4.6994 -4.6533 -4.6533 -0.6008 -0.6008 7.4319 7.4319 8.4886 8.4886 10.0436 10.0436 17.2453 17.2453 17.3935 17.3935 18.4084 18.4084 k = 0.0000 0.0000 0.2859 ( 1249 PWs) bands (ev): -5.3534 -5.3534 -5.3125 -5.3125 -5.3015 -5.3015 -5.2677 -5.2677 -4.8859 -4.8859 -4.8482 -4.8482 -4.8211 -4.8211 -4.7484 -4.7484 -4.7003 -4.7003 -4.6499 -4.6499 -0.6668 -0.6668 7.5804 7.5804 8.4141 8.4141 10.0668 10.0668 17.4613 17.4613 17.6103 17.6103 18.3511 18.3511 k = 0.0000 0.0000 0.2723 ( 1249 PWs) bands (ev): -5.3532 -5.3532 -5.3127 -5.3127 -5.3038 -5.3038 -5.2689 -5.2689 -4.8842 -4.8842 -4.8480 -4.8480 -4.8215 -4.8215 -4.7504 -4.7504 -4.7012 -4.7012 -4.6464 -4.6464 -0.7297 -0.7297 7.7163 7.7163 8.3429 8.3429 10.1070 10.1070 17.6771 17.6771 17.8285 17.8285 18.2961 18.2961 k = 0.0000 0.0000 0.2587 ( 1251 PWs) bands (ev): -5.3530 -5.3530 -5.3133 -5.3133 -5.3059 -5.3059 -5.2700 -5.2700 -4.8823 -4.8823 -4.8479 -4.8479 -4.8219 -4.8219 -4.7525 -4.7525 -4.7021 -4.7021 -4.6429 -4.6429 -0.7895 -0.7895 7.8378 7.8378 8.2751 8.2751 10.1657 10.1657 17.8922 17.8922 18.0474 18.0474 18.2435 18.2435 k = 0.0000 0.0000 0.2451 ( 1251 PWs) bands (ev): -5.3527 -5.3527 -5.3143 -5.3143 -5.3076 -5.3076 -5.2712 -5.2712 -4.8804 -4.8804 -4.8477 -4.8477 -4.8222 -4.8222 -4.7547 -4.7547 -4.7032 -4.7032 -4.6394 -4.6394 -0.8462 -0.8462 7.9435 7.9435 8.2109 8.2109 10.2440 10.2440 18.1055 18.1055 18.1934 18.1934 18.2667 18.2667 k = 0.0000 0.0000 0.2315 ( 1251 PWs) bands (ev): -5.3524 -5.3524 -5.3159 -5.3159 -5.3087 -5.3087 -5.2722 -5.2722 -4.8783 -4.8783 -4.8476 -4.8476 -4.8224 -4.8224 -4.7570 -4.7570 -4.7043 -4.7043 -4.6359 -4.6359 -0.8997 -0.8997 8.0321 8.0321 8.1511 8.1511 10.3420 10.3420 18.1451 18.1451 18.3163 18.3163 18.4855 18.4855 k = 0.0000 0.0000 0.2178 ( 1251 PWs) bands (ev): -5.3521 -5.3521 -5.3180 -5.3180 -5.3093 -5.3093 -5.2733 -5.2733 -4.8762 -4.8762 -4.8474 -4.8474 -4.8226 -4.8226 -4.7593 -4.7593 -4.7055 -4.7055 -4.6325 -4.6325 -0.9502 -0.9502 8.0798 8.0798 8.1198 8.1198 10.4592 10.4592 18.0998 18.0998 18.5199 18.5199 18.7028 18.7028 k = 0.0000 0.0000 0.2042 ( 1255 PWs) bands (ev): -5.3517 -5.3517 -5.3204 -5.3204 -5.3098 -5.3098 -5.2743 -5.2743 -4.8741 -4.8741 -4.8473 -4.8473 -4.8228 -4.8228 -4.7616 -4.7616 -4.7067 -4.7067 -4.6292 -4.6292 -0.9976 -0.9976 8.0337 8.0337 8.1711 8.1711 10.5941 10.5941 18.0570 18.0570 18.7044 18.7044 18.9171 18.9171 k = 0.0000 0.0000 0.1906 ( 1263 PWs) bands (ev): -5.3514 -5.3514 -5.3228 -5.3228 -5.3101 -5.3101 -5.2752 -5.2752 -4.8719 -4.8719 -4.8473 -4.8473 -4.8228 -4.8228 -4.7640 -4.7640 -4.7079 -4.7079 -4.6260 -4.6260 -1.0419 -1.0419 7.9835 7.9835 8.2169 8.2169 10.7445 10.7445 18.0166 18.0166 18.8227 18.8227 19.0667 19.0667 k = 0.0000 0.0000 0.1770 ( 1263 PWs) bands (ev): -5.3510 -5.3510 -5.3253 -5.3253 -5.3103 -5.3103 -5.2762 -5.2762 -4.8698 -4.8698 -4.8471 -4.8471 -4.8228 -4.8228 -4.7664 -4.7664 -4.7091 -4.7091 -4.6230 -4.6230 -1.0831 -1.0831 7.9362 7.9362 8.2523 8.2523 10.9081 10.9081 17.9788 17.9788 18.8437 18.8437 19.1043 19.1043 k = 0.0000 0.0000 0.1634 ( 1263 PWs) bands (ev): -5.3506 -5.3506 -5.3276 -5.3276 -5.3104 -5.3104 -5.2770 -5.2770 -4.8676 -4.8676 -4.8470 -4.8470 -4.8227 -4.8227 -4.7687 -4.7687 -4.7103 -4.7103 -4.6200 -4.6200 -1.1212 -1.1212 7.8922 7.8922 8.2787 8.2787 11.0820 11.0820 17.9434 17.9434 18.8152 18.8152 18.8474 18.8474 k = 0.0000 0.0000 0.1498 ( 1263 PWs) bands (ev): -5.3502 -5.3502 -5.3298 -5.3298 -5.3106 -5.3106 -5.2778 -5.2778 -4.8656 -4.8656 -4.8469 -4.8469 -4.8225 -4.8225 -4.7710 -4.7710 -4.7115 -4.7115 -4.6173 -4.6173 -1.1562 -1.1562 7.8516 7.8516 8.2979 8.2979 11.2638 11.2638 17.9104 17.9104 18.5441 18.5441 18.8101 18.8101 k = 0.0000 0.0000 0.1361 ( 1263 PWs) bands (ev): -5.3498 -5.3498 -5.3320 -5.3320 -5.3107 -5.3107 -5.2786 -5.2786 -4.8636 -4.8636 -4.8466 -4.8466 -4.8222 -4.8222 -4.7732 -4.7732 -4.7126 -4.7126 -4.6147 -4.6147 -1.1882 -1.1882 7.8145 7.8145 8.3115 8.3115 11.4505 11.4505 17.8790 17.8790 18.2643 18.2643 18.7870 18.7870 k = 0.0000 0.0000 0.1225 ( 1263 PWs) bands (ev): -5.3494 -5.3494 -5.3340 -5.3340 -5.3108 -5.3108 -5.2793 -5.2793 -4.8619 -4.8619 -4.8463 -4.8463 -4.8220 -4.8220 -4.7755 -4.7755 -4.7137 -4.7137 -4.6124 -4.6124 -1.2171 -1.2171 7.7808 7.7808 8.3208 8.3208 11.6397 11.6397 17.8439 17.8439 17.9997 17.9997 18.7651 18.7651 k = 0.0000 0.0000 0.1089 ( 1259 PWs) bands (ev): -5.3489 -5.3489 -5.3358 -5.3358 -5.3109 -5.3109 -5.2799 -5.2799 -4.8602 -4.8602 -4.8459 -4.8459 -4.8217 -4.8217 -4.7776 -4.7776 -4.7147 -4.7147 -4.6102 -4.6102 -1.2430 -1.2430 7.7506 7.7506 8.3268 8.3268 11.8283 11.8283 17.7097 17.7097 17.8485 17.8485 18.7449 18.7449 k = 0.0000 0.0000 0.0953 ( 1255 PWs) bands (ev): -5.3485 -5.3485 -5.3375 -5.3375 -5.3110 -5.3110 -5.2805 -5.2805 -4.8589 -4.8589 -4.8453 -4.8453 -4.8213 -4.8213 -4.7795 -4.7795 -4.7156 -4.7156 -4.6082 -4.6082 -1.2658 -1.2658 7.7240 7.7240 8.3305 8.3305 12.0132 12.0132 17.4716 17.4716 17.8176 17.8176 18.7267 18.7267 k = 0.0000 0.0000 0.0817 ( 1253 PWs) bands (ev): -5.3482 -5.3482 -5.3389 -5.3389 -5.3111 -5.3111 -5.2810 -5.2810 -4.8578 -4.8578 -4.8446 -4.8446 -4.8210 -4.8210 -4.7814 -4.7814 -4.7163 -4.7163 -4.6065 -4.6065 -1.2856 -1.2856 7.7008 7.7008 8.3325 8.3325 12.1907 12.1907 17.2428 17.2428 17.7971 17.7971 18.7108 18.7108 k = 0.0000 0.0000 0.0681 ( 1253 PWs) bands (ev): -5.3479 -5.3479 -5.3402 -5.3402 -5.3112 -5.3112 -5.2815 -5.2815 -4.8569 -4.8569 -4.8439 -4.8439 -4.8207 -4.8207 -4.7831 -4.7831 -4.7171 -4.7171 -4.6051 -4.6051 -1.3023 -1.3023 7.6813 7.6813 8.3335 8.3335 12.3564 12.3564 17.0334 17.0334 17.7806 17.7806 18.6971 18.6971 k = 0.0000 0.0000 0.0545 ( 1257 PWs) bands (ev): -5.3477 -5.3477 -5.3413 -5.3413 -5.3112 -5.3112 -5.2818 -5.2818 -4.8563 -4.8563 -4.8431 -4.8431 -4.8205 -4.8205 -4.7845 -4.7845 -4.7177 -4.7177 -4.6039 -4.6039 -1.3159 -1.3159 7.6652 7.6652 8.3337 8.3337 12.5052 12.5052 16.8490 16.8490 17.7674 17.7674 18.6859 18.6859 k = 0.0000 0.0000 0.0408 ( 1259 PWs) bands (ev): -5.3475 -5.3475 -5.3422 -5.3422 -5.3113 -5.3113 -5.2821 -5.2821 -4.8559 -4.8559 -4.8425 -4.8425 -4.8203 -4.8203 -4.7857 -4.7857 -4.7182 -4.7182 -4.6030 -4.6030 -1.3266 -1.3266 7.6527 7.6527 8.3336 8.3336 12.6311 12.6311 16.6957 16.6957 17.7571 17.7571 18.6771 18.6771 k = 0.0000 0.0000 0.0272 ( 1257 PWs) bands (ev): -5.3472 -5.3472 -5.3428 -5.3428 -5.3113 -5.3113 -5.2824 -5.2824 -4.8556 -4.8556 -4.8419 -4.8419 -4.8201 -4.8201 -4.7866 -4.7866 -4.7185 -4.7185 -4.6023 -4.6023 -1.3341 -1.3341 7.6438 7.6438 8.3333 8.3333 12.7276 12.7276 16.5798 16.5798 17.7499 17.7499 18.6708 18.6708 k = 0.0000 0.0000 0.0136 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3432 -5.3432 -5.3113 -5.3113 -5.2825 -5.2825 -4.8555 -4.8555 -4.8415 -4.8415 -4.8200 -4.8200 -4.7871 -4.7871 -4.7187 -4.7187 -4.6019 -4.6019 -1.3387 -1.3387 7.6385 7.6385 8.3331 8.3331 12.7886 12.7886 16.5072 16.5072 17.7455 17.7455 18.6670 18.6670 k = 0.0000 0.0000 0.0000 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3433 -5.3433 -5.3113 -5.3113 -5.2825 -5.2825 -4.8554 -4.8554 -4.8414 -4.8414 -4.8200 -4.8200 -4.7873 -4.7873 -4.7188 -4.7188 -4.6018 -4.6018 -1.3402 -1.3402 7.6367 7.6367 8.3330 8.3330 12.8095 12.8095 16.4825 16.4825 17.7441 17.7441 18.6657 18.6657 k = 0.0000 0.0000 0.0000 ( 1257 PWs) bands (ev): -5.3471 -5.3471 -5.3433 -5.3433 -5.3113 -5.3113 -5.2825 -5.2825 -4.8554 -4.8554 -4.8414 -4.8414 -4.8200 -4.8200 -4.7873 -4.7873 -4.7188 -4.7188 -4.6018 -4.6018 -1.3402 -1.3402 7.6367 7.6367 8.3330 8.3330 12.8095 12.8095 16.4825 16.4825 17.7441 17.7441 18.6657 18.6657 k =-0.0128 0.0046 0.0000 ( 1255 PWs) bands (ev): -5.3470 -5.3470 -5.3433 -5.3433 -5.3114 -5.3114 -5.2824 -5.2824 -4.8555 -4.8555 -4.8414 -4.8414 -4.8199 -4.8199 -4.7873 -4.7873 -4.7187 -4.7187 -4.6019 -4.6019 -1.3387 -1.3387 7.5678 7.5678 8.4043 8.4043 12.8112 12.8112 16.4842 16.4842 17.7295 17.7295 18.6830 18.6830 k =-0.0256 0.0091 0.0000 ( 1255 PWs) bands (ev): -5.3466 -5.3466 -5.3431 -5.3431 -5.3118 -5.3118 -5.2821 -5.2821 -4.8557 -4.8557 -4.8413 -4.8413 -4.8198 -4.8198 -4.7872 -4.7872 -4.7187 -4.7187 -4.6023 -4.6023 -1.3342 -1.3342 7.4100 7.4100 8.5694 8.5694 12.8165 12.8165 16.4892 16.4892 17.6888 17.6888 18.7317 18.7317 k =-0.0385 0.0137 0.0000 ( 1257 PWs) bands (ev): -5.3462 -5.3462 -5.3429 -5.3429 -5.3123 -5.3123 -5.2817 -5.2817 -4.8560 -4.8560 -4.8412 -4.8412 -4.8195 -4.8195 -4.7871 -4.7871 -4.7187 -4.7187 -4.6030 -4.6030 -1.3268 -1.3268 7.2182 7.2182 8.7731 8.7731 12.8252 12.8252 16.4976 16.4976 17.6284 17.6284 18.8054 18.8054 k =-0.0513 0.0183 0.0000 ( 1257 PWs) bands (ev): -5.3454 -5.3454 -5.3425 -5.3425 -5.3130 -5.3130 -5.2812 -5.2812 -4.8564 -4.8564 -4.8410 -4.8410 -4.8192 -4.8192 -4.7870 -4.7870 -4.7186 -4.7186 -4.6039 -4.6039 -1.3163 -1.3163 7.0142 7.0142 8.9939 8.9939 12.8374 12.8374 16.5094 16.5094 17.5551 17.5551 18.8972 18.8972 k =-0.0641 0.0229 0.0000 ( 1261 PWs) bands (ev): -5.3445 -5.3445 -5.3422 -5.3422 -5.3138 -5.3138 -5.2805 -5.2805 -4.8569 -4.8569 -4.8408 -4.8408 -4.8189 -4.8189 -4.7869 -4.7869 -4.7185 -4.7185 -4.6051 -4.6051 -1.3028 -1.3028 6.8057 6.8057 9.2239 9.2239 12.8531 12.8531 16.5245 16.5245 17.4741 17.4741 19.0019 19.0019 k =-0.0769 0.0274 0.0000 ( 1257 PWs) bands (ev): -5.3434 -5.3434 -5.3417 -5.3417 -5.3147 -5.3147 -5.2798 -5.2798 -4.8576 -4.8576 -4.8404 -4.8404 -4.8184 -4.8184 -4.7867 -4.7867 -4.7184 -4.7184 -4.6065 -4.6065 -1.2864 -1.2864 6.5961 6.5961 9.4597 9.4597 12.8723 12.8723 16.5432 16.5432 17.3888 17.3888 19.1161 19.1161 k =-0.0897 0.0320 0.0000 ( 1257 PWs) bands (ev): -5.3422 -5.3422 -5.3412 -5.3412 -5.3155 -5.3155 -5.2790 -5.2790 -4.8583 -4.8583 -4.8400 -4.8400 -4.8179 -4.8179 -4.7865 -4.7865 -4.7183 -4.7183 -4.6082 -4.6082 -1.2670 -1.2670 6.3868 6.3868 9.6999 9.6999 12.8949 12.8949 16.5654 16.5654 17.3014 17.3014 19.2373 19.2373 k =-0.1026 0.0366 0.0000 ( 1253 PWs) bands (ev): -5.3413 -5.3413 -5.3401 -5.3401 -5.3163 -5.3163 -5.2782 -5.2782 -4.8590 -4.8590 -4.8394 -4.8394 -4.8174 -4.8174 -4.7864 -4.7864 -4.7182 -4.7182 -4.6100 -4.6100 -1.2445 -1.2445 6.1787 6.1787 9.9433 9.9433 12.9210 12.9210 16.5912 16.5912 17.2134 17.2134 19.3636 19.3636 k =-0.1154 0.0412 0.0000 ( 1252 PWs) bands (ev): -5.3409 -5.3409 -5.3385 -5.3385 -5.3170 -5.3170 -5.2773 -5.2773 -4.8599 -4.8599 -4.8389 -4.8389 -4.8168 -4.8168 -4.7862 -4.7862 -4.7181 -4.7181 -4.6120 -4.6120 -1.2191 -1.2191 5.9724 5.9724 10.1896 10.1896 12.9506 12.9506 16.6206 16.6206 17.1258 17.1258 19.4930 19.4930 k =-0.1282 0.0457 0.0000 ( 1252 PWs) bands (ev): -5.3408 -5.3408 -5.3367 -5.3367 -5.3174 -5.3174 -5.2765 -5.2765 -4.8607 -4.8607 -4.8382 -4.8382 -4.8163 -4.8163 -4.7861 -4.7861 -4.7181 -4.7181 -4.6142 -4.6142 -1.1906 -1.1906 5.7681 5.7681 10.4382 10.4382 12.9836 12.9836 16.6536 16.6536 17.0393 17.0393 19.6214 19.6214 k =-0.1410 0.0503 0.0000 ( 1252 PWs) bands (ev): -5.3410 -5.3410 -5.3346 -5.3346 -5.3175 -5.3175 -5.2756 -5.2756 -4.8616 -4.8616 -4.8375 -4.8375 -4.8158 -4.8158 -4.7860 -4.7860 -4.7180 -4.7180 -4.6165 -4.6165 -1.1591 -1.1591 5.5661 5.5661 10.6889 10.6889 13.0201 13.0201 16.6905 16.6905 16.9543 16.9543 19.7249 19.7249 k =-0.1538 0.0549 0.0000 ( 1252 PWs) bands (ev): -5.3415 -5.3415 -5.3324 -5.3324 -5.3173 -5.3173 -5.2748 -5.2748 -4.8624 -4.8624 -4.8367 -4.8367 -4.8152 -4.8152 -4.7860 -4.7860 -4.7181 -4.7181 -4.6190 -4.6190 -1.1247 -1.1247 5.3665 5.3665 10.9414 10.9414 13.0599 13.0599 16.7313 16.7313 16.8713 16.8713 19.6763 19.6763 k =-0.1667 0.0595 0.0000 ( 1244 PWs) bands (ev): -5.3422 -5.3422 -5.3301 -5.3301 -5.3168 -5.3168 -5.2740 -5.2740 -4.8632 -4.8632 -4.8359 -4.8359 -4.8146 -4.8146 -4.7861 -4.7861 -4.7181 -4.7181 -4.6215 -4.6215 -1.0872 -1.0872 5.1694 5.1694 11.1954 11.1954 13.1033 13.1033 16.7753 16.7753 16.7913 16.7913 19.5246 19.5246 k =-0.1795 0.0640 0.0000 ( 1248 PWs) bands (ev): -5.3431 -5.3431 -5.3276 -5.3276 -5.3159 -5.3159 -5.2732 -5.2732 -4.8639 -4.8639 -4.8351 -4.8351 -4.8141 -4.8141 -4.7862 -4.7862 -4.7183 -4.7183 -4.6241 -4.6241 -1.0467 -1.0467 4.9749 4.9749 11.4506 11.4506 13.1500 13.1500 16.7116 16.7116 16.8255 16.8255 19.3567 19.3567 k =-0.1923 0.0686 0.0000 ( 1248 PWs) bands (ev): -5.3443 -5.3443 -5.3250 -5.3250 -5.3148 -5.3148 -5.2725 -5.2725 -4.8646 -4.8646 -4.8344 -4.8344 -4.8136 -4.8136 -4.7865 -4.7865 -4.7186 -4.7186 -4.6267 -4.6267 -1.0031 -1.0031 4.7831 4.7831 11.7068 11.7068 13.2001 13.2001 16.6356 16.6356 16.8788 16.8788 19.1846 19.1846 k =-0.2051 0.0732 0.0000 ( 1248 PWs) bands (ev): -5.3456 -5.3456 -5.3223 -5.3223 -5.3135 -5.3135 -5.2717 -5.2717 -4.8652 -4.8652 -4.8336 -4.8336 -4.8130 -4.8130 -4.7868 -4.7868 -4.7190 -4.7190 -4.6293 -4.6293 -0.9566 -0.9566 4.5940 4.5940 11.9636 11.9636 13.2537 13.2537 16.5622 16.5622 16.9367 16.9367 19.0110 19.0110 k =-0.2179 0.0777 0.0000 ( 1248 PWs) bands (ev): -5.3470 -5.3470 -5.3195 -5.3195 -5.3120 -5.3120 -5.2710 -5.2710 -4.8657 -4.8657 -4.8329 -4.8329 -4.8124 -4.8124 -4.7871 -4.7871 -4.7196 -4.7196 -4.6318 -4.6318 -0.9070 -0.9070 4.4077 4.4077 12.2207 12.2207 13.3107 13.3107 16.4916 16.4916 16.9994 16.9994 18.8372 18.8372 k =-0.2308 0.0823 0.0000 ( 1248 PWs) bands (ev): -5.3485 -5.3485 -5.3166 -5.3166 -5.3104 -5.3104 -5.2703 -5.2703 -4.8661 -4.8661 -4.8323 -4.8323 -4.8118 -4.8118 -4.7876 -4.7876 -4.7204 -4.7204 -4.6343 -4.6343 -0.8544 -0.8544 4.2242 4.2242 12.4777 12.4777 13.3712 13.3712 16.4237 16.4237 17.0671 17.0671 18.6639 18.6639 k =-0.2436 0.0869 0.0000 ( 1248 PWs) bands (ev): -5.3501 -5.3501 -5.3137 -5.3137 -5.3087 -5.3087 -5.2696 -5.2696 -4.8663 -4.8663 -4.8317 -4.8317 -4.8112 -4.8112 -4.7882 -4.7882 -4.7214 -4.7214 -4.6365 -4.6365 -0.7989 -0.7989 4.0437 4.0437 12.7339 12.7339 13.4355 13.4355 16.3587 16.3587 17.1401 17.1401 18.4915 18.4915 k =-0.2564 0.0915 0.0000 ( 1248 PWs) bands (ev): -5.3516 -5.3516 -5.3107 -5.3107 -5.3069 -5.3069 -5.2689 -5.2689 -4.8664 -4.8664 -4.8313 -4.8313 -4.8106 -4.8106 -4.7888 -4.7888 -4.7227 -4.7227 -4.6386 -4.6386 -0.7403 -0.7403 3.8660 3.8660 12.9884 12.9884 13.5039 13.5039 16.2966 16.2966 17.2186 17.2186 18.3204 18.3204 k =-0.2692 0.0960 0.0000 ( 1240 PWs) bands (ev): -5.3532 -5.3532 -5.3076 -5.3076 -5.3052 -5.3052 -5.2682 -5.2682 -4.8663 -4.8663 -4.8309 -4.8309 -4.8098 -4.8098 -4.7895 -4.7895 -4.7242 -4.7242 -4.6404 -4.6404 -0.6787 -0.6787 3.6913 3.6913 13.2393 13.2393 13.5781 13.5781 16.2375 16.2375 17.3029 17.3029 18.1510 18.1510 k =-0.2821 0.1006 0.0000 ( 1234 PWs) bands (ev): -5.3547 -5.3547 -5.3046 -5.3046 -5.3034 -5.3034 -5.2674 -5.2674 -4.8661 -4.8661 -4.8307 -4.8307 -4.8091 -4.8091 -4.7902 -4.7902 -4.7259 -4.7259 -4.6420 -4.6420 -0.6142 -0.6142 3.5197 3.5197 13.4788 13.4788 13.6651 13.6651 16.1815 16.1815 17.3933 17.3933 17.9833 17.9833 k =-0.2949 0.1052 0.0000 ( 1238 PWs) bands (ev): -5.3563 -5.3563 -5.3020 -5.3020 -5.3014 -5.3014 -5.2667 -5.2667 -4.8658 -4.8658 -4.8306 -4.8306 -4.8083 -4.8083 -4.7911 -4.7911 -4.7279 -4.7279 -4.6435 -4.6435 -0.5467 -0.5467 3.3511 3.3511 13.6644 13.6644 13.8068 13.8068 16.1285 16.1285 17.4898 17.4898 17.8175 17.8175 k =-0.3077 0.1098 0.0000 ( 1240 PWs) bands (ev): -5.3578 -5.3578 -5.3002 -5.3002 -5.2986 -5.2986 -5.2660 -5.2660 -4.8653 -4.8653 -4.8306 -4.8306 -4.8076 -4.8076 -4.7920 -4.7920 -4.7301 -4.7301 -4.6447 -4.6447 -0.4763 -0.4763 3.1856 3.1856 13.7713 13.7713 14.0272 14.0272 16.0786 16.0786 17.5911 17.5911 17.6554 17.6554 k =-0.3205 0.1143 0.0000 ( 1236 PWs) bands (ev): -5.3592 -5.3592 -5.2987 -5.2987 -5.2957 -5.2957 -5.2652 -5.2652 -4.8646 -4.8646 -4.8308 -4.8308 -4.8068 -4.8068 -4.7930 -4.7930 -4.7325 -4.7325 -4.6456 -4.6456 -0.4030 -0.4030 3.0232 3.0232 13.8601 13.8601 14.2651 14.2651 16.0319 16.0319 17.4911 17.4911 17.7028 17.7028 k =-0.3333 0.1189 0.0000 ( 1240 PWs) bands (ev): -5.3606 -5.3606 -5.2973 -5.2973 -5.2929 -5.2929 -5.2644 -5.2644 -4.8637 -4.8637 -4.8311 -4.8311 -4.8061 -4.8061 -4.7940 -4.7940 -4.7350 -4.7350 -4.6464 -4.6464 -0.3269 -0.3269 2.8642 2.8642 13.9474 13.9474 14.5030 14.5030 15.9884 15.9884 17.3324 17.3324 17.8163 17.8163 k =-0.3462 0.1235 0.0000 ( 1240 PWs) bands (ev): -5.3618 -5.3618 -5.2960 -5.2960 -5.2901 -5.2901 -5.2636 -5.2636 -4.8627 -4.8627 -4.8314 -4.8314 -4.8055 -4.8055 -4.7950 -4.7950 -4.7376 -4.7376 -4.6469 -4.6469 -0.2480 -0.2480 2.7084 2.7084 14.0360 14.0360 14.7373 14.7373 15.9482 15.9482 17.1761 17.1761 17.9314 17.9314 k =-0.3590 0.1280 0.0000 ( 1244 PWs) bands (ev): -5.3631 -5.3631 -5.2948 -5.2948 -5.2875 -5.2875 -5.2628 -5.2628 -4.8615 -4.8615 -4.8318 -4.8318 -4.8051 -4.8051 -4.7960 -4.7960 -4.7403 -4.7403 -4.6474 -4.6474 -0.1664 -0.1664 2.5560 2.5560 14.1264 14.1264 14.9663 14.9663 15.9113 15.9113 17.0225 17.0225 18.0389 18.0389 k =-0.3718 0.1326 0.0000 ( 1244 PWs) bands (ev): -5.3642 -5.3642 -5.2938 -5.2938 -5.2851 -5.2851 -5.2620 -5.2620 -4.8602 -4.8602 -4.8322 -4.8322 -4.8051 -4.8051 -4.7968 -4.7968 -4.7428 -4.7428 -4.6477 -4.6477 -0.0824 -0.0824 2.4073 2.4073 14.2189 14.2189 15.1889 15.1889 15.8780 15.8780 16.8721 16.8721 18.1185 18.1185 k =-0.3846 0.1372 0.0000 ( 1244 PWs) bands (ev): -5.3653 -5.3653 -5.2928 -5.2928 -5.2828 -5.2828 -5.2611 -5.2611 -4.8587 -4.8587 -4.8327 -4.8327 -4.8055 -4.8055 -4.7972 -4.7972 -4.7453 -4.7453 -4.6479 -4.6479 0.0041 0.0041 2.2623 2.2623 14.3132 14.3132 15.4039 15.4039 15.8489 15.8489 16.7248 16.7248 18.1360 18.1360 k =-0.3974 0.1418 0.0000 ( 1246 PWs) bands (ev): -5.3662 -5.3662 -5.2920 -5.2920 -5.2807 -5.2807 -5.2604 -5.2604 -4.8571 -4.8571 -4.8332 -4.8332 -4.8064 -4.8064 -4.7973 -4.7973 -4.7477 -4.7477 -4.6480 -4.6480 0.0926 0.0926 2.1213 2.1213 14.4093 14.4093 15.6075 15.6075 15.8269 15.8269 16.5815 16.5815 18.0834 18.0834 k =-0.4103 0.1463 0.0000 ( 1246 PWs) bands (ev): -5.3671 -5.3671 -5.2913 -5.2913 -5.2787 -5.2787 -5.2597 -5.2597 -4.8553 -4.8553 -4.8337 -4.8337 -4.8078 -4.8078 -4.7972 -4.7972 -4.7498 -4.7498 -4.6480 -4.6480 0.1829 0.1829 1.9848 1.9848 14.5065 14.5065 15.7560 15.7560 15.8556 15.8556 16.4426 16.4426 17.9887 17.9887 k =-0.4231 0.1509 0.0000 ( 1244 PWs) bands (ev): -5.3678 -5.3678 -5.2907 -5.2907 -5.2769 -5.2769 -5.2590 -5.2590 -4.8535 -4.8535 -4.8341 -4.8341 -4.8094 -4.8094 -4.7968 -4.7968 -4.7517 -4.7517 -4.6479 -4.6479 0.2742 0.2742 1.8534 1.8534 14.6041 14.6041 15.7614 15.7614 16.0223 16.0223 16.3092 16.3092 17.8738 17.8738 k =-0.4359 0.1555 0.0000 ( 1246 PWs) bands (ev): -5.3685 -5.3685 -5.2902 -5.2902 -5.2755 -5.2755 -5.2584 -5.2584 -4.8517 -4.8517 -4.8346 -4.8346 -4.8112 -4.8112 -4.7964 -4.7964 -4.7534 -4.7534 -4.6479 -4.6479 0.3656 0.3656 1.7280 1.7280 14.7009 14.7009 15.7476 15.7476 16.1683 16.1683 16.2175 16.2175 17.7485 17.7485 k =-0.4487 0.1601 0.0000 ( 1248 PWs) bands (ev): -5.3690 -5.3690 -5.2899 -5.2899 -5.2742 -5.2742 -5.2580 -5.2580 -4.8500 -4.8500 -4.8350 -4.8350 -4.8130 -4.8130 -4.7961 -4.7961 -4.7548 -4.7548 -4.6478 -4.6478 0.4553 0.4553 1.6105 1.6105 14.7949 14.7949 15.7348 15.7348 16.0587 16.0587 16.3847 16.3847 17.6169 17.6169 k =-0.4615 0.1646 0.0000 ( 1248 PWs) bands (ev): -5.3694 -5.3694 -5.2896 -5.2896 -5.2732 -5.2732 -5.2576 -5.2576 -4.8484 -4.8484 -4.8353 -4.8353 -4.8146 -4.8146 -4.7957 -4.7957 -4.7559 -4.7559 -4.6478 -4.6478 0.5403 0.5403 1.5039 1.5039 14.8826 14.8826 15.7249 15.7249 15.9510 15.9510 16.5547 16.5547 17.4808 17.4808 k =-0.4744 0.1692 0.0000 ( 1248 PWs) bands (ev): -5.3697 -5.3697 -5.2894 -5.2894 -5.2725 -5.2725 -5.2573 -5.2573 -4.8471 -4.8471 -4.8355 -4.8355 -4.8159 -4.8159 -4.7955 -4.7955 -4.7567 -4.7567 -4.6477 -4.6477 0.6148 0.6148 1.4139 1.4139 14.9579 14.9579 15.7188 15.7188 15.8601 15.8601 16.7177 16.7177 17.3417 17.3417 k =-0.4872 0.1738 0.0000 ( 1248 PWs) bands (ev): -5.3698 -5.3698 -5.2893 -5.2893 -5.2721 -5.2721 -5.2571 -5.2571 -4.8462 -4.8462 -4.8357 -4.8357 -4.8168 -4.8168 -4.7953 -4.7953 -4.7572 -4.7572 -4.6477 -4.6477 0.6690 0.6690 1.3505 1.3505 15.0113 15.0113 15.7177 15.7177 15.7948 15.7948 16.8709 16.8709 17.2027 17.2027 k =-0.5000 0.1784 0.0000 ( 1254 PWs) bands (ev): -5.3699 -5.3699 -5.2893 -5.2893 -5.2719 -5.2719 -5.2572 -5.2572 -4.8459 -4.8459 -4.8358 -4.8358 -4.8172 -4.8172 -4.7953 -4.7953 -4.7574 -4.7574 -4.6477 -4.6477 0.6894 0.6894 1.3269 1.3269 15.0310 15.0310 15.7196 15.7196 15.7687 15.7687 16.9733 16.9733 17.1050 17.1050 k =-0.5000 0.1784 0.0000 ( 1254 PWs) bands (ev): -5.3699 -5.3699 -5.2893 -5.2893 -5.2719 -5.2719 -5.2572 -5.2572 -4.8459 -4.8459 -4.8358 -4.8358 -4.8172 -4.8172 -4.7953 -4.7953 -4.7574 -4.7574 -4.6477 -4.6477 0.6894 0.6894 1.3269 1.3269 15.0310 15.0310 15.7196 15.7196 15.7687 15.7687 16.9733 16.9733 17.1050 17.1050 k =-0.4955 0.1911-0.0000 ( 1246 PWs) bands (ev): -5.3697 -5.3697 -5.2892 -5.2892 -5.2719 -5.2719 -5.2571 -5.2571 -4.8461 -4.8461 -4.8356 -4.8356 -4.8171 -4.8171 -4.7953 -4.7953 -4.7572 -4.7572 -4.6478 -4.6478 0.6910 0.6910 1.3284 1.3284 15.0322 15.0322 15.6919 15.6919 15.7700 15.7700 16.9742 16.9742 17.1062 17.1062 k =-0.4909 0.2038-0.0000 ( 1246 PWs) bands (ev): -5.3693 -5.3693 -5.2892 -5.2892 -5.2719 -5.2719 -5.2571 -5.2571 -4.8465 -4.8465 -4.8351 -4.8351 -4.8172 -4.8172 -4.7955 -4.7955 -4.7569 -4.7569 -4.6481 -4.6481 0.6956 0.6956 1.3327 1.3327 15.0354 15.0354 15.6120 15.6120 15.7737 15.7737 16.9767 16.9767 17.1100 17.1100 k =-0.4864 0.2166-0.0000 ( 1246 PWs) bands (ev): -5.3686 -5.3686 -5.2891 -5.2891 -5.2718 -5.2718 -5.2572 -5.2572 -4.8472 -4.8472 -4.8344 -4.8344 -4.8173 -4.8173 -4.7959 -4.7959 -4.7563 -4.7563 -4.6486 -4.6486 0.7033 0.7033 1.3399 1.3399 15.0398 15.0398 15.4877 15.4877 15.7800 15.7800 16.9808 16.9808 17.1164 17.1164 k =-0.4818 0.2293-0.0000 ( 1244 PWs) bands (ev): -5.3676 -5.3676 -5.2890 -5.2890 -5.2717 -5.2717 -5.2573 -5.2573 -4.8480 -4.8480 -4.8336 -4.8336 -4.8173 -4.8173 -4.7963 -4.7963 -4.7556 -4.7556 -4.6493 -4.6493 0.7142 0.7142 1.3500 1.3500 15.0413 15.0413 15.3319 15.3319 15.7886 15.7886 16.9866 16.9866 17.1255 17.1255 k =-0.4773 0.2421-0.0000 ( 1240 PWs) bands (ev): -5.3663 -5.3663 -5.2889 -5.2889 -5.2717 -5.2717 -5.2575 -5.2575 -4.8490 -4.8490 -4.8328 -4.8328 -4.8174 -4.8174 -4.7967 -4.7967 -4.7547 -4.7547 -4.6502 -4.6502 0.7281 0.7281 1.3629 1.3629 15.0138 15.0138 15.1795 15.1795 15.7997 15.7997 16.9940 16.9940 17.1374 17.1374 k =-0.4727 0.2548-0.0000 ( 1246 PWs) bands (ev): -5.3649 -5.3649 -5.2888 -5.2888 -5.2716 -5.2716 -5.2577 -5.2577 -4.8500 -4.8500 -4.8320 -4.8320 -4.8174 -4.8174 -4.7973 -4.7973 -4.7537 -4.7537 -4.6513 -4.6513 0.7451 0.7451 1.3787 1.3787 14.8687 14.8687 15.1264 15.1264 15.8133 15.8133 17.0029 17.0029 17.1521 17.1521 k =-0.4682 0.2676-0.0000 ( 1246 PWs) bands (ev): -5.3632 -5.3632 -5.2887 -5.2887 -5.2715 -5.2715 -5.2579 -5.2579 -4.8510 -4.8510 -4.8313 -4.8313 -4.8173 -4.8173 -4.7977 -4.7977 -4.7526 -4.7526 -4.6526 -4.6526 0.7652 0.7652 1.3974 1.3974 14.6521 14.6521 15.1322 15.1322 15.8292 15.8292 17.0131 17.0131 17.1695 17.1695 k =-0.4636 0.2803-0.0000 ( 1246 PWs) bands (ev): -5.3612 -5.3612 -5.2886 -5.2886 -5.2713 -5.2713 -5.2581 -5.2581 -4.8521 -4.8521 -4.8308 -4.8308 -4.8171 -4.8171 -4.7982 -4.7982 -4.7514 -4.7514 -4.6541 -4.6541 0.7885 0.7885 1.4190 1.4190 14.4147 14.4147 15.1507 15.1507 15.8476 15.8476 17.0248 17.0248 17.1896 17.1896 k =-0.4591 0.2930-0.0000 ( 1248 PWs) bands (ev): -5.3590 -5.3590 -5.2885 -5.2885 -5.2712 -5.2712 -5.2584 -5.2584 -4.8532 -4.8532 -4.8305 -4.8305 -4.8169 -4.8169 -4.7984 -4.7984 -4.7501 -4.7501 -4.6557 -4.6557 0.8148 0.8148 1.4434 1.4434 14.1666 14.1666 15.1750 15.1750 15.8683 15.8683 17.0376 17.0376 17.2125 17.2125 k =-0.4545 0.3058-0.0000 ( 1248 PWs) bands (ev): -5.3567 -5.3567 -5.2885 -5.2885 -5.2710 -5.2710 -5.2587 -5.2587 -4.8543 -4.8543 -4.8304 -4.8304 -4.8165 -4.8165 -4.7985 -4.7985 -4.7487 -4.7487 -4.6574 -4.6574 0.8442 0.8442 1.4706 1.4706 13.9118 13.9118 15.2033 15.2033 15.8913 15.8913 17.0515 17.0515 17.2381 17.2381 k =-0.4500 0.3185-0.0000 ( 1246 PWs) bands (ev): -5.3541 -5.3541 -5.2885 -5.2885 -5.2707 -5.2707 -5.2590 -5.2590 -4.8554 -4.8554 -4.8305 -4.8305 -4.8161 -4.8161 -4.7983 -4.7983 -4.7473 -4.7473 -4.6593 -4.6593 0.8767 0.8767 1.5007 1.5007 13.6526 13.6526 15.2353 15.2353 15.9166 15.9166 17.0664 17.0664 17.2663 17.2663 k =-0.4455 0.3313-0.0000 ( 1242 PWs) bands (ev): -5.3514 -5.3514 -5.2885 -5.2885 -5.2704 -5.2704 -5.2594 -5.2594 -4.8566 -4.8566 -4.8307 -4.8307 -4.8157 -4.8157 -4.7977 -4.7977 -4.7459 -4.7459 -4.6612 -4.6612 0.9122 0.9122 1.5337 1.5337 13.3907 13.3907 15.2706 15.2706 15.9443 15.9443 17.0820 17.0820 17.2971 17.2971 k =-0.4409 0.3440-0.0000 ( 1242 PWs) bands (ev): -5.3485 -5.3485 -5.2886 -5.2886 -5.2702 -5.2702 -5.2597 -5.2597 -4.8578 -4.8578 -4.8311 -4.8311 -4.8154 -4.8154 -4.7968 -4.7968 -4.7445 -4.7445 -4.6633 -4.6633 0.9509 0.9509 1.5694 1.5694 13.1271 13.1271 15.3092 15.3092 15.9740 15.9740 17.0980 17.0980 17.3304 17.3304 k =-0.4364 0.3568-0.0000 ( 1242 PWs) bands (ev): -5.3455 -5.3455 -5.2887 -5.2887 -5.2699 -5.2699 -5.2601 -5.2601 -4.8591 -4.8591 -4.8316 -4.8316 -4.8152 -4.8152 -4.7955 -4.7955 -4.7431 -4.7431 -4.6654 -4.6654 0.9927 0.9927 1.6079 1.6079 12.8627 12.8627 15.3509 15.3509 16.0058 16.0058 17.1142 17.1142 17.3662 17.3662 k =-0.4318 0.3695-0.0000 ( 1242 PWs) bands (ev): -5.3424 -5.3424 -5.2889 -5.2889 -5.2697 -5.2697 -5.2604 -5.2604 -4.8604 -4.8604 -4.8322 -4.8322 -4.8151 -4.8151 -4.7939 -4.7939 -4.7417 -4.7417 -4.6676 -4.6676 1.0376 1.0376 1.6493 1.6493 12.5982 12.5982 15.3958 15.3958 16.0397 16.0397 17.1302 17.1302 17.4045 17.4045 k =-0.4273 0.3822-0.0000 ( 1238 PWs) bands (ev): -5.3392 -5.3392 -5.2892 -5.2892 -5.2694 -5.2694 -5.2607 -5.2607 -4.8617 -4.8617 -4.8327 -4.8327 -4.8151 -4.8151 -4.7920 -4.7920 -4.7405 -4.7405 -4.6697 -4.6697 1.0856 1.0856 1.6934 1.6934 12.3342 12.3342 15.4438 15.4438 16.0756 16.0756 17.1457 17.1457 17.4451 17.4451 k =-0.4227 0.3950-0.0000 ( 1234 PWs) bands (ev): -5.3359 -5.3359 -5.2895 -5.2895 -5.2692 -5.2692 -5.2609 -5.2609 -4.8632 -4.8632 -4.8333 -4.8333 -4.8151 -4.8151 -4.7897 -4.7897 -4.7393 -4.7393 -4.6719 -4.6719 1.1366 1.1366 1.7403 1.7403 12.0710 12.0710 15.4948 15.4948 16.1134 16.1134 17.1600 17.1600 17.4879 17.4879 k =-0.4182 0.4077-0.0000 ( 1238 PWs) bands (ev): -5.3327 -5.3327 -5.2899 -5.2899 -5.2692 -5.2692 -5.2611 -5.2611 -4.8647 -4.8647 -4.8338 -4.8338 -4.8151 -4.8151 -4.7873 -4.7873 -4.7383 -4.7383 -4.6740 -4.6740 1.1908 1.1908 1.7899 1.7899 11.8090 11.8090 15.5489 15.5489 16.1529 16.1529 17.1725 17.1725 17.5326 17.5326 k =-0.4136 0.4205-0.0000 ( 1234 PWs) bands (ev): -5.3295 -5.3295 -5.2903 -5.2903 -5.2691 -5.2691 -5.2613 -5.2613 -4.8662 -4.8662 -4.8343 -4.8343 -4.8151 -4.8151 -4.7846 -4.7846 -4.7374 -4.7374 -4.6759 -4.6759 1.2481 1.2481 1.8422 1.8422 11.5485 11.5485 15.6060 15.6060 16.1942 16.1942 17.1826 17.1826 17.5791 17.5791 k =-0.4091 0.4332-0.0000 ( 1238 PWs) bands (ev): -5.3263 -5.3263 -5.2908 -5.2908 -5.2692 -5.2692 -5.2613 -5.2613 -4.8679 -4.8679 -4.8349 -4.8349 -4.8151 -4.8151 -4.7818 -4.7818 -4.7367 -4.7367 -4.6776 -4.6776 1.3084 1.3084 1.8972 1.8972 11.2897 11.2897 15.6661 15.6661 16.2369 16.2369 17.1893 17.1893 17.6268 17.6268 k =-0.4045 0.4460-0.0000 ( 1238 PWs) bands (ev): -5.3232 -5.3232 -5.2914 -5.2914 -5.2694 -5.2694 -5.2612 -5.2612 -4.8695 -4.8695 -4.8353 -4.8353 -4.8151 -4.8151 -4.7788 -4.7788 -4.7363 -4.7363 -4.6792 -4.6792 1.3719 1.3719 1.9549 1.9549 11.0329 11.0329 15.7291 15.7291 16.2811 16.2811 17.1916 17.1916 17.6753 17.6753 k =-0.4000 0.4587-0.0000 ( 1238 PWs) bands (ev): -5.3202 -5.3202 -5.2920 -5.2920 -5.2698 -5.2698 -5.2610 -5.2610 -4.8712 -4.8712 -4.8356 -4.8356 -4.8150 -4.8150 -4.7758 -4.7758 -4.7361 -4.7361 -4.6804 -4.6804 1.4385 1.4385 2.0151 2.0151 10.7782 10.7782 15.7951 15.7951 16.3266 16.3266 17.1885 17.1885 17.7234 17.7234 k =-0.3955 0.4715-0.0000 ( 1240 PWs) bands (ev): -5.3173 -5.3173 -5.2926 -5.2926 -5.2702 -5.2702 -5.2607 -5.2607 -4.8730 -4.8730 -4.8359 -4.8359 -4.8149 -4.8149 -4.7726 -4.7726 -4.7362 -4.7362 -4.6813 -4.6813 1.5081 1.5081 2.0779 2.0779 10.5258 10.5258 15.8640 15.8640 16.3730 16.3730 17.1785 17.1785 17.7691 17.7691 k =-0.3909 0.4842-0.0000 ( 1240 PWs) bands (ev): -5.3146 -5.3146 -5.2933 -5.2933 -5.2707 -5.2707 -5.2604 -5.2604 -4.8747 -4.8747 -4.8361 -4.8361 -4.8147 -4.8147 -4.7695 -4.7695 -4.7367 -4.7367 -4.6818 -4.6818 1.5809 1.5809 2.1433 2.1433 10.2759 10.2759 15.9359 15.9359 16.4202 16.4202 17.1604 17.1604 17.8092 17.8092 k =-0.3864 0.4969-0.0000 ( 1246 PWs) bands (ev): -5.3122 -5.3122 -5.2940 -5.2940 -5.2712 -5.2712 -5.2600 -5.2600 -4.8765 -4.8765 -4.8362 -4.8362 -4.8144 -4.8144 -4.7663 -4.7663 -4.7375 -4.7375 -4.6819 -4.6819 1.6567 1.6567 2.2111 2.2111 10.0285 10.0285 16.0105 16.0105 16.4679 16.4679 17.1327 17.1327 17.8365 17.8365 k =-0.3818 0.5097-0.0000 ( 1246 PWs) bands (ev): -5.3100 -5.3100 -5.2946 -5.2946 -5.2717 -5.2717 -5.2594 -5.2594 -4.8783 -4.8783 -4.8362 -4.8362 -4.8141 -4.8141 -4.7632 -4.7632 -4.7385 -4.7385 -4.6817 -4.6817 1.7357 1.7357 2.2813 2.2813 9.7840 9.7840 16.0881 16.0881 16.5154 16.5154 17.0943 17.0943 17.8371 17.8371 k =-0.3773 0.5224-0.0000 ( 1246 PWs) bands (ev): -5.3081 -5.3081 -5.2951 -5.2951 -5.2723 -5.2723 -5.2589 -5.2589 -4.8800 -4.8800 -4.8361 -4.8361 -4.8137 -4.8137 -4.7602 -4.7602 -4.7398 -4.7398 -4.6810 -4.6810 1.8177 1.8177 2.3538 2.3538 9.5423 9.5423 16.1684 16.1684 16.5621 16.5621 17.0446 17.0446 17.7899 17.7899 k =-0.3727 0.5352-0.0000 ( 1244 PWs) bands (ev): -5.3066 -5.3066 -5.2955 -5.2955 -5.2728 -5.2728 -5.2583 -5.2583 -4.8817 -4.8817 -4.8359 -4.8359 -4.8132 -4.8132 -4.7574 -4.7574 -4.7410 -4.7410 -4.6800 -4.6800 1.9029 1.9029 2.4285 2.4285 9.3038 9.3038 16.2515 16.2515 16.6061 16.6061 16.9840 16.9840 17.6817 17.6817 k =-0.3682 0.5479-0.0000 ( 1244 PWs) bands (ev): -5.3057 -5.3057 -5.2958 -5.2958 -5.2733 -5.2733 -5.2576 -5.2576 -4.8835 -4.8835 -4.8356 -4.8356 -4.8128 -4.8128 -4.7552 -4.7552 -4.7419 -4.7419 -4.6787 -4.6787 1.9912 1.9912 2.5054 2.5054 9.0684 9.0684 16.3374 16.3374 16.6431 16.6431 16.9160 16.9160 17.5257 17.5257 k =-0.3636 0.5607-0.0000 ( 1244 PWs) bands (ev): -5.3052 -5.3052 -5.2958 -5.2958 -5.2738 -5.2738 -5.2569 -5.2569 -4.8852 -4.8852 -4.8351 -4.8351 -4.8122 -4.8122 -4.7541 -4.7541 -4.7421 -4.7421 -4.6771 -4.6771 2.0825 2.0825 2.5842 2.5842 8.8364 8.8364 16.4258 16.4258 16.6584 16.6584 16.8545 16.8545 17.3437 17.3437 k =-0.3591 0.5734-0.0000 ( 1248 PWs) bands (ev): -5.3051 -5.3051 -5.2958 -5.2958 -5.2742 -5.2742 -5.2562 -5.2562 -4.8869 -4.8869 -4.8346 -4.8346 -4.8117 -4.8117 -4.7544 -4.7544 -4.7410 -4.7410 -4.6753 -4.6753 2.1769 2.1769 2.6648 2.6648 8.6081 8.6081 16.5160 16.5160 16.6199 16.6199 16.8309 16.8309 17.1515 17.1515 k =-0.3545 0.5861-0.0000 ( 1252 PWs) bands (ev): -5.3055 -5.3055 -5.2956 -5.2956 -5.2746 -5.2746 -5.2555 -5.2555 -4.8886 -4.8886 -4.8339 -4.8339 -4.8111 -4.8111 -4.7558 -4.7558 -4.7390 -4.7390 -4.6733 -4.6733 2.2745 2.2745 2.7470 2.7470 8.3835 8.3835 16.5214 16.5214 16.6142 16.6142 16.8297 16.8297 16.9722 16.9722 k =-0.3500 0.5989-0.0000 ( 1248 PWs) bands (ev): -5.3060 -5.3060 -5.2954 -5.2954 -5.2750 -5.2750 -5.2547 -5.2547 -4.8903 -4.8903 -4.8331 -4.8331 -4.8104 -4.8104 -4.7578 -4.7578 -4.7365 -4.7365 -4.6711 -4.6711 2.3751 2.3751 2.8306 2.8306 8.1631 8.1631 16.4014 16.4014 16.7056 16.7056 16.7157 16.7157 16.9217 16.9217 k =-0.3454 0.6116-0.0000 ( 1248 PWs) bands (ev): -5.3068 -5.3068 -5.2953 -5.2953 -5.2752 -5.2752 -5.2540 -5.2540 -4.8919 -4.8919 -4.8322 -4.8322 -4.8098 -4.8098 -4.7601 -4.7601 -4.7339 -4.7339 -4.6688 -4.6688 2.4788 2.4788 2.9154 2.9154 7.9471 7.9471 16.2643 16.2643 16.5187 16.5187 16.8085 16.8085 16.9506 16.9506 k =-0.3409 0.6244-0.0000 ( 1254 PWs) bands (ev): -5.3077 -5.3077 -5.2953 -5.2953 -5.2755 -5.2755 -5.2533 -5.2533 -4.8934 -4.8934 -4.8313 -4.8313 -4.8091 -4.8091 -4.7627 -4.7627 -4.7311 -4.7311 -4.6664 -4.6664 2.5856 2.5856 3.0008 3.0008 7.7358 7.7358 16.1148 16.1148 16.3203 16.3203 16.9102 16.9102 16.9872 16.9872 k =-0.3364 0.6371-0.0000 ( 1250 PWs) bands (ev): -5.3086 -5.3086 -5.2954 -5.2954 -5.2757 -5.2757 -5.2526 -5.2526 -4.8950 -4.8950 -4.8302 -4.8302 -4.8084 -4.8084 -4.7652 -4.7652 -4.7284 -4.7284 -4.6640 -4.6640 2.6955 2.6955 3.0865 3.0865 7.5297 7.5297 15.9547 15.9547 16.1242 16.1242 17.0145 17.0145 17.0239 17.0239 k =-0.3318 0.6499-0.0000 ( 1250 PWs) bands (ev): -5.3096 -5.3096 -5.2956 -5.2956 -5.2760 -5.2760 -5.2520 -5.2520 -4.8964 -4.8964 -4.8291 -4.8291 -4.8076 -4.8076 -4.7677 -4.7677 -4.7257 -4.7257 -4.6615 -4.6615 2.8085 2.8085 3.1720 3.1720 7.3295 7.3295 15.7847 15.7847 15.9332 15.9332 17.0583 17.0583 17.1214 17.1214 k =-0.3273 0.6626-0.0000 ( 1250 PWs) bands (ev): -5.3105 -5.3105 -5.2959 -5.2959 -5.2762 -5.2762 -5.2515 -5.2515 -4.8979 -4.8979 -4.8280 -4.8280 -4.8069 -4.8069 -4.7702 -4.7702 -4.7231 -4.7231 -4.6590 -4.6590 2.9245 2.9245 3.2564 3.2564 7.1358 7.1358 15.6057 15.6057 15.7482 15.7482 17.0895 17.0895 17.2306 17.2306 k =-0.3227 0.6753-0.0000 ( 1246 PWs) bands (ev): -5.3115 -5.3115 -5.2962 -5.2962 -5.2764 -5.2764 -5.2509 -5.2509 -4.8992 -4.8992 -4.8268 -4.8268 -4.8061 -4.8061 -4.7726 -4.7726 -4.7206 -4.7206 -4.6566 -4.6566 3.0436 3.0436 3.3390 3.3390 6.9495 6.9495 15.4202 15.4202 15.5683 15.5683 17.1165 17.1165 17.3424 17.3424 k =-0.3182 0.6881-0.0000 ( 1246 PWs) bands (ev): -5.3125 -5.3125 -5.2965 -5.2965 -5.2767 -5.2767 -5.2505 -5.2505 -4.9005 -4.9005 -4.8256 -4.8256 -4.8054 -4.8054 -4.7749 -4.7749 -4.7182 -4.7182 -4.6542 -4.6542 3.1658 3.1658 3.4186 3.4186 6.7718 6.7718 15.2311 15.2311 15.3919 15.3919 17.1386 17.1386 17.4563 17.4563 k =-0.3136 0.7008-0.0000 ( 1246 PWs) bands (ev): -5.3135 -5.3135 -5.2969 -5.2969 -5.2769 -5.2769 -5.2501 -5.2501 -4.9018 -4.9018 -4.8244 -4.8244 -4.8047 -4.8047 -4.7770 -4.7770 -4.7159 -4.7159 -4.6520 -4.6520 3.2910 3.2910 3.4936 3.4936 6.6042 6.6042 15.0406 15.0406 15.2175 15.2175 17.1550 17.1550 17.5726 17.5726 k =-0.3091 0.7136-0.0000 ( 1248 PWs) bands (ev): -5.3144 -5.3144 -5.2973 -5.2973 -5.2772 -5.2772 -5.2499 -5.2499 -4.9030 -4.9030 -4.8234 -4.8234 -4.8041 -4.8041 -4.7789 -4.7789 -4.7136 -4.7136 -4.6498 -4.6498 3.4192 3.4192 3.5624 3.5624 6.4484 6.4484 14.8503 14.8503 15.0444 15.0444 17.1652 17.1652 17.6910 17.6910 k =-0.3045 0.7263-0.0000 ( 1252 PWs) bands (ev): -5.3154 -5.3154 -5.2977 -5.2977 -5.2775 -5.2775 -5.2497 -5.2497 -4.9042 -4.9042 -4.8224 -4.8224 -4.8035 -4.8035 -4.7806 -4.7806 -4.7116 -4.7116 -4.6478 -4.6478 3.5503 3.5503 3.6226 3.6226 6.3069 6.3069 14.6612 14.6612 14.8723 14.8723 17.1686 17.1686 17.8116 17.8116 k =-0.3000 0.7391-0.0000 ( 1252 PWs) bands (ev): -5.3163 -5.3163 -5.2981 -5.2981 -5.2778 -5.2778 -5.2496 -5.2496 -4.9053 -4.9053 -4.8215 -4.8215 -4.8030 -4.8030 -4.7820 -4.7820 -4.7096 -4.7096 -4.6459 -4.6459 3.6684 3.6684 3.6874 3.6874 6.1823 6.1823 14.4738 14.4738 14.7012 14.7012 17.1648 17.1648 17.9343 17.9343 k =-0.2954 0.7518-0.0000 ( 1248 PWs) bands (ev): -5.3171 -5.3171 -5.2984 -5.2984 -5.2781 -5.2781 -5.2495 -5.2495 -4.9062 -4.9062 -4.8208 -4.8208 -4.8025 -4.8025 -4.7831 -4.7831 -4.7076 -4.7076 -4.6441 -4.6441 3.7044 3.7044 3.8229 3.8229 6.0776 6.0776 14.2886 14.2886 14.5312 14.5312 17.1532 17.1532 18.0589 18.0589 k =-0.2909 0.7646-0.0000 ( 1248 PWs) bands (ev): -5.3179 -5.3179 -5.2987 -5.2987 -5.2784 -5.2784 -5.2495 -5.2495 -4.9072 -4.9072 -4.8202 -4.8202 -4.8020 -4.8020 -4.7839 -4.7839 -4.7058 -4.7058 -4.6426 -4.6426 3.7209 3.7209 3.9632 3.9632 5.9961 5.9961 14.1057 14.1057 14.3624 14.3624 17.1338 17.1338 18.1855 18.1855 k =-0.2864 0.7773-0.0000 ( 1248 PWs) bands (ev): -5.3187 -5.3187 -5.2989 -5.2989 -5.2788 -5.2788 -5.2495 -5.2495 -4.9081 -4.9081 -4.8199 -4.8199 -4.8016 -4.8016 -4.7844 -4.7844 -4.7042 -4.7042 -4.6412 -4.6412 3.7170 3.7170 4.1065 4.1065 5.9404 5.9404 13.9254 13.9254 14.1952 14.1952 17.1062 17.1062 18.3138 18.3138 k =-0.2818 0.7900-0.0000 ( 1244 PWs) bands (ev): -5.3195 -5.3195 -5.2991 -5.2991 -5.2791 -5.2791 -5.2496 -5.2496 -4.9088 -4.9088 -4.8199 -4.8199 -4.8011 -4.8011 -4.7845 -4.7845 -4.7026 -4.7026 -4.6400 -4.6400 3.6912 3.6912 4.2529 4.2529 5.9118 5.9118 13.7477 13.7477 14.0296 14.0296 17.0706 17.0706 18.4439 18.4439 k =-0.2818 0.7900-0.0000 ( 1244 PWs) bands (ev): -5.3195 -5.3195 -5.2991 -5.2991 -5.2791 -5.2791 -5.2496 -5.2496 -4.9088 -4.9088 -4.8199 -4.8199 -4.8011 -4.8011 -4.7845 -4.7845 -4.7026 -4.7026 -4.6400 -4.6400 3.6912 3.6912 4.2529 4.2529 5.9118 5.9118 13.7477 13.7477 14.0296 14.0296 17.0706 17.0706 18.4439 18.4439 k =-0.2818 0.7900 0.0136 ( 1246 PWs) bands (ev): -5.3195 -5.3195 -5.2990 -5.2990 -5.2791 -5.2791 -5.2496 -5.2496 -4.9088 -4.9088 -4.8202 -4.8202 -4.8012 -4.8012 -4.7841 -4.7841 -4.7026 -4.7026 -4.6400 -4.6400 3.6926 3.6926 4.2544 4.2544 5.9135 5.9135 13.7479 13.7479 14.0303 14.0303 17.0513 17.0513 18.4141 18.4141 k =-0.2818 0.7900 0.0272 ( 1242 PWs) bands (ev): -5.3195 -5.3195 -5.2988 -5.2988 -5.2791 -5.2791 -5.2498 -5.2498 -4.9087 -4.9087 -4.8209 -4.8209 -4.8013 -4.8013 -4.7830 -4.7830 -4.7026 -4.7026 -4.6402 -4.6402 3.6970 3.6970 4.2590 4.2590 5.9184 5.9184 13.7486 13.7486 14.0325 14.0325 16.9947 16.9947 18.3291 18.3291 k =-0.2818 0.7900 0.0408 ( 1244 PWs) bands (ev): -5.3194 -5.3194 -5.2986 -5.2986 -5.2792 -5.2792 -5.2501 -5.2501 -4.9086 -4.9086 -4.8221 -4.8221 -4.8014 -4.8014 -4.7813 -4.7813 -4.7025 -4.7025 -4.6405 -4.6405 3.7042 3.7042 4.2665 4.2665 5.9265 5.9265 13.7495 13.7495 14.0360 14.0360 16.9041 16.9041 18.1998 18.1998 k =-0.2818 0.7900 0.0545 ( 1246 PWs) bands (ev): -5.3194 -5.3194 -5.2982 -5.2982 -5.2792 -5.2792 -5.2505 -5.2505 -4.9085 -4.9085 -4.8236 -4.8236 -4.8015 -4.8015 -4.7791 -4.7791 -4.7025 -4.7025 -4.6410 -4.6410 3.7143 3.7143 4.2771 4.2771 5.9380 5.9380 13.7507 13.7507 14.0407 14.0407 16.7841 16.7841 18.0381 18.0381 k =-0.2818 0.7900 0.0681 ( 1242 PWs) bands (ev): -5.3193 -5.3193 -5.2976 -5.2976 -5.2792 -5.2792 -5.2509 -5.2509 -4.9082 -4.9082 -4.8254 -4.8254 -4.8016 -4.8016 -4.7766 -4.7766 -4.7024 -4.7024 -4.6416 -4.6416 3.7273 3.7273 4.2907 4.2907 5.9526 5.9526 13.7518 13.7518 14.0465 14.0465 16.6398 16.6398 17.8543 17.8543 k =-0.2818 0.7900 0.0817 ( 1244 PWs) bands (ev): -5.3193 -5.3193 -5.2971 -5.2971 -5.2793 -5.2793 -5.2515 -5.2515 -4.9080 -4.9080 -4.8272 -4.8272 -4.8016 -4.8016 -4.7740 -4.7740 -4.7023 -4.7023 -4.6423 -4.6423 3.7433 3.7433 4.3073 4.3073 5.9705 5.9705 13.7527 13.7527 14.0530 14.0530 16.4763 16.4763 17.6561 17.6561 k =-0.2818 0.7900 0.0953 ( 1244 PWs) bands (ev): -5.3192 -5.3192 -5.2964 -5.2964 -5.2793 -5.2793 -5.2522 -5.2522 -4.9077 -4.9077 -4.8291 -4.8291 -4.8015 -4.8015 -4.7712 -4.7712 -4.7021 -4.7021 -4.6431 -4.6431 3.7621 3.7621 4.3269 4.3269 5.9917 5.9917 13.7530 13.7530 14.0600 14.0600 16.2978 16.2978 17.4491 17.4491 k =-0.2818 0.7900 0.1089 ( 1242 PWs) bands (ev): -5.3192 -5.3192 -5.2957 -5.2957 -5.2794 -5.2794 -5.2529 -5.2529 -4.9073 -4.9073 -4.8310 -4.8310 -4.8014 -4.8014 -4.7684 -4.7684 -4.7019 -4.7019 -4.6440 -4.6440 3.7838 3.7838 4.3495 4.3495 6.0161 6.0161 13.7521 13.7521 14.0669 14.0669 16.1085 16.1085 17.2374 17.2374 k =-0.2818 0.7900 0.1225 ( 1241 PWs) bands (ev): -5.3191 -5.3191 -5.2949 -5.2949 -5.2795 -5.2795 -5.2537 -5.2537 -4.9069 -4.9069 -4.8329 -4.8329 -4.8012 -4.8012 -4.7657 -4.7657 -4.7017 -4.7017 -4.6450 -4.6450 3.8084 3.8084 4.3752 4.3752 6.0437 6.0437 13.7493 13.7493 14.0731 14.0731 15.9114 15.9114 17.0242 17.0242 k =-0.2818 0.7900 0.1361 ( 1239 PWs) bands (ev): -5.3190 -5.3190 -5.2941 -5.2941 -5.2796 -5.2796 -5.2545 -5.2545 -4.9064 -4.9064 -4.8346 -4.8346 -4.8009 -4.8009 -4.7629 -4.7629 -4.7014 -4.7014 -4.6460 -4.6460 3.8360 3.8360 4.4038 4.4038 6.0745 6.0745 13.7439 13.7439 14.0777 14.0777 15.7097 15.7097 16.8121 16.8121 k =-0.2818 0.7900 0.1498 ( 1237 PWs) bands (ev): -5.3189 -5.3189 -5.2934 -5.2934 -5.2797 -5.2797 -5.2554 -5.2554 -4.9059 -4.9059 -4.8363 -4.8363 -4.8006 -4.8006 -4.7603 -4.7603 -4.7010 -4.7010 -4.6470 -4.6470 3.8665 3.8665 4.4355 4.4355 6.1084 6.1084 13.7345 13.7345 14.0795 14.0795 15.5059 15.5059 16.6036 16.6036 k =-0.2818 0.7900 0.1634 ( 1238 PWs) bands (ev): -5.3189 -5.3189 -5.2927 -5.2927 -5.2799 -5.2799 -5.2562 -5.2562 -4.9053 -4.9053 -4.8378 -4.8378 -4.8003 -4.8003 -4.7578 -4.7578 -4.7005 -4.7005 -4.6481 -4.6481 3.8998 3.8998 4.4701 4.4701 6.1455 6.1455 13.7196 13.7196 14.0771 14.0771 15.3029 15.3029 16.4013 16.4013 k =-0.2818 0.7900 0.1770 ( 1237 PWs) bands (ev): -5.3189 -5.3189 -5.2920 -5.2920 -5.2800 -5.2800 -5.2570 -5.2570 -4.9046 -4.9046 -4.8392 -4.8392 -4.8000 -4.8000 -4.7555 -4.7555 -4.7001 -4.7001 -4.6491 -4.6491 3.9362 3.9362 4.5077 4.5077 6.1858 6.1858 13.6968 13.6968 14.0682 14.0682 15.1036 15.1036 16.2079 16.2079 k =-0.2818 0.7900 0.1906 ( 1235 PWs) bands (ev): -5.3189 -5.3189 -5.2915 -5.2915 -5.2802 -5.2802 -5.2577 -5.2577 -4.9038 -4.9038 -4.8406 -4.8406 -4.7996 -4.7996 -4.7533 -4.7533 -4.6995 -4.6995 -4.6500 -4.6500 3.9754 3.9754 4.5484 4.5484 6.2292 6.2292 13.6628 13.6628 14.0502 14.0502 14.9117 14.9117 16.0266 16.0266 k =-0.2818 0.7900 0.2042 ( 1235 PWs) bands (ev): -5.3189 -5.3189 -5.2913 -5.2913 -5.2803 -5.2803 -5.2584 -5.2584 -4.9030 -4.9030 -4.8418 -4.8418 -4.7992 -4.7992 -4.7514 -4.7514 -4.6989 -4.6989 -4.6509 -4.6509 4.0176 4.0176 4.5920 4.5920 6.2756 6.2756 13.6136 13.6136 14.0199 14.0199 14.7313 14.7313 15.8613 15.8613 k =-0.2818 0.7900 0.2178 ( 1241 PWs) bands (ev): -5.3190 -5.3190 -5.2912 -5.2912 -5.2804 -5.2804 -5.2589 -5.2589 -4.9021 -4.9021 -4.8429 -4.8429 -4.7987 -4.7987 -4.7496 -4.7496 -4.6984 -4.6984 -4.6517 -4.6517 4.0627 4.0627 4.6386 4.6386 6.3251 6.3251 13.5442 13.5442 13.9735 13.9735 14.5673 14.5673 15.7157 15.7157 k =-0.2818 0.7900 0.2315 ( 1238 PWs) bands (ev): -5.3191 -5.3191 -5.2914 -5.2914 -5.2804 -5.2804 -5.2593 -5.2593 -4.9011 -4.9011 -4.8438 -4.8438 -4.7982 -4.7982 -4.7480 -4.7480 -4.6978 -4.6978 -4.6523 -4.6523 4.1108 4.1108 4.6882 4.6882 6.3777 6.3777 13.4498 13.4498 13.9078 13.9078 14.4238 14.4238 15.5939 15.5939 k =-0.2818 0.7900 0.2451 ( 1238 PWs) bands (ev): -5.3193 -5.3193 -5.2919 -5.2919 -5.2804 -5.2804 -5.2595 -5.2595 -4.9000 -4.9000 -4.8447 -4.8447 -4.7977 -4.7977 -4.7467 -4.7467 -4.6972 -4.6972 -4.6526 -4.6526 4.1619 4.1619 4.7407 4.7407 6.4332 6.4332 13.3285 13.3285 13.8204 13.8204 14.3022 14.3022 15.4984 15.4984 k =-0.2818 0.7900 0.2587 ( 1238 PWs) bands (ev): -5.3195 -5.3195 -5.2926 -5.2926 -5.2804 -5.2804 -5.2596 -5.2596 -4.8988 -4.8988 -4.8455 -4.8455 -4.7972 -4.7972 -4.7455 -4.7455 -4.6968 -4.6968 -4.6528 -4.6528 4.2159 4.2159 4.7962 4.7962 6.4917 6.4917 13.1818 13.1818 13.7109 13.7109 14.1998 14.1998 15.4299 15.4299 k =-0.2818 0.7900 0.2723 ( 1240 PWs) bands (ev): -5.3198 -5.3198 -5.2935 -5.2935 -5.2805 -5.2805 -5.2595 -5.2595 -4.8976 -4.8976 -4.8462 -4.8462 -4.7967 -4.7967 -4.7445 -4.7445 -4.6965 -4.6965 -4.6527 -4.6527 4.2728 4.2728 4.8547 4.8547 6.5531 6.5531 13.0146 13.0146 13.5809 13.5809 14.1110 14.1110 15.3869 15.3869 k =-0.2818 0.7900 0.2859 ( 1236 PWs) bands (ev): -5.3202 -5.3202 -5.2946 -5.2946 -5.2805 -5.2805 -5.2592 -5.2592 -4.8962 -4.8962 -4.8468 -4.8468 -4.7961 -4.7961 -4.7436 -4.7436 -4.6963 -4.6963 -4.6522 -4.6522 4.3328 4.3328 4.9161 4.9161 6.6174 6.6174 12.8325 12.8325 13.4333 13.4333 14.0294 14.0294 15.3667 15.3667 k =-0.2818 0.7900 0.2995 ( 1238 PWs) bands (ev): -5.3207 -5.3207 -5.2958 -5.2958 -5.2805 -5.2805 -5.2588 -5.2588 -4.8948 -4.8948 -4.8473 -4.8473 -4.7956 -4.7956 -4.7428 -4.7428 -4.6963 -4.6963 -4.6516 -4.6516 4.3957 4.3957 4.9804 4.9804 6.6845 6.6845 12.6402 12.6402 13.2718 13.2718 13.9494 13.9494 15.3655 15.3655 k =-0.2818 0.7900 0.3131 ( 1238 PWs) bands (ev): -5.3212 -5.3212 -5.2972 -5.2972 -5.2806 -5.2806 -5.2583 -5.2583 -4.8933 -4.8933 -4.8477 -4.8477 -4.7950 -4.7950 -4.7421 -4.7421 -4.6965 -4.6965 -4.6506 -4.6506 4.4616 4.4616 5.0476 5.0476 6.7544 6.7544 12.4414 12.4414 13.0998 13.0998 13.8667 13.8667 15.3800 15.3800 k =-0.2818 0.7900 0.3268 ( 1238 PWs) bands (ev): -5.3218 -5.3218 -5.2987 -5.2987 -5.2807 -5.2807 -5.2577 -5.2577 -4.8919 -4.8919 -4.8480 -4.8480 -4.7945 -4.7945 -4.7414 -4.7414 -4.6968 -4.6968 -4.6494 -4.6494 4.5306 4.5306 5.1178 5.1178 6.8270 6.8270 12.2387 12.2387 12.9202 12.9202 13.7783 13.7783 15.4073 15.4073 k =-0.2818 0.7900 0.3404 ( 1238 PWs) bands (ev): -5.3226 -5.3226 -5.3003 -5.3003 -5.2808 -5.2808 -5.2570 -5.2570 -4.8904 -4.8904 -4.8482 -4.8482 -4.7939 -4.7939 -4.7408 -4.7408 -4.6973 -4.6973 -4.6480 -4.6480 4.6025 4.6025 5.1908 5.1908 6.9022 6.9022 12.0338 12.0338 12.7356 12.7356 13.6824 13.6824 15.4450 15.4450 k =-0.2818 0.7900 0.3540 ( 1238 PWs) bands (ev): -5.3234 -5.3234 -5.3019 -5.3019 -5.2809 -5.2809 -5.2563 -5.2563 -4.8890 -4.8890 -4.8482 -4.8482 -4.7934 -4.7934 -4.7402 -4.7402 -4.6979 -4.6979 -4.6463 -4.6463 4.6774 4.6774 5.2667 5.2667 6.9799 6.9799 11.8280 11.8280 12.5479 12.5479 13.5780 13.5780 15.4915 15.4915 k =-0.2818 0.7900 0.3676 ( 1238 PWs) bands (ev): -5.3244 -5.3244 -5.3035 -5.3035 -5.2809 -5.2809 -5.2556 -5.2556 -4.8876 -4.8876 -4.8481 -4.8481 -4.7930 -4.7930 -4.7396 -4.7396 -4.6986 -4.6986 -4.6446 -4.6446 4.7553 4.7553 5.3454 5.3454 7.0601 7.0601 11.6221 11.6221 12.3584 12.3584 13.4650 13.4650 15.5452 15.5452 k =-0.2818 0.7900 0.3812 ( 1240 PWs) bands (ev): -5.3254 -5.3254 -5.3052 -5.3052 -5.2808 -5.2808 -5.2550 -5.2550 -4.8863 -4.8863 -4.8479 -4.8479 -4.7926 -4.7926 -4.7390 -4.7390 -4.6994 -4.6994 -4.6427 -4.6427 4.8362 4.8362 5.4270 5.4270 7.1427 7.1427 11.4168 11.4168 12.1684 12.1684 13.3436 13.3436 15.6053 15.6053 k =-0.2818 0.7900 0.3948 ( 1238 PWs) bands (ev): -5.3266 -5.3266 -5.3069 -5.3069 -5.2807 -5.2807 -5.2544 -5.2544 -4.8852 -4.8852 -4.8474 -4.8474 -4.7921 -4.7921 -4.7383 -4.7383 -4.7002 -4.7002 -4.6407 -4.6407 4.9202 4.9202 5.5113 5.5113 7.2274 7.2274 11.2126 11.2126 11.9788 11.9788 13.2146 13.2146 15.6709 15.6709 k =-0.2818 0.7900 0.4084 ( 1235 PWs) bands (ev): -5.3278 -5.3278 -5.3085 -5.3085 -5.2806 -5.2806 -5.2539 -5.2539 -4.8842 -4.8842 -4.8467 -4.8467 -4.7917 -4.7917 -4.7376 -4.7376 -4.7011 -4.7011 -4.6387 -4.6387 5.0071 5.0071 5.5985 5.5985 7.3142 7.3142 11.0098 11.0098 11.7902 11.7902 13.0789 13.0789 15.7414 15.7414 k =-0.2818 0.7900 0.4221 ( 1239 PWs) bands (ev): -5.3290 -5.3290 -5.3102 -5.3102 -5.2803 -5.2803 -5.2534 -5.2534 -4.8835 -4.8835 -4.8459 -4.8459 -4.7914 -4.7914 -4.7370 -4.7370 -4.7020 -4.7020 -4.6367 -4.6367 5.0971 5.0971 5.6883 5.6883 7.4028 7.4028 10.8087 10.8087 11.6035 11.6035 12.9375 12.9375 15.8162 15.8162 k =-0.2818 0.7900 0.4357 ( 1241 PWs) bands (ev): -5.3304 -5.3304 -5.3118 -5.3118 -5.2800 -5.2800 -5.2531 -5.2531 -4.8829 -4.8829 -4.8448 -4.8448 -4.7911 -4.7911 -4.7363 -4.7363 -4.7028 -4.7028 -4.6347 -4.6347 5.1900 5.1900 5.7808 5.7808 7.4929 7.4929 10.6096 10.6096 11.4192 11.4192 12.7914 12.7914 15.8951 15.8951 k =-0.2818 0.7900 0.4493 ( 1239 PWs) bands (ev): -5.3317 -5.3317 -5.3134 -5.3134 -5.2796 -5.2796 -5.2528 -5.2528 -4.8824 -4.8824 -4.8436 -4.8436 -4.7907 -4.7907 -4.7357 -4.7357 -4.7036 -4.7036 -4.6327 -4.6327 5.2860 5.2860 5.8760 5.8760 7.5844 7.5844 10.4127 10.4127 11.2378 11.2378 12.6416 12.6416 15.9775 15.9775 k =-0.2818 0.7900 0.4629 ( 1242 PWs) bands (ev): -5.3330 -5.3330 -5.3150 -5.3150 -5.2791 -5.2791 -5.2527 -5.2527 -4.8822 -4.8822 -4.8422 -4.8422 -4.7904 -4.7904 -4.7351 -4.7351 -4.7044 -4.7044 -4.6308 -4.6308 5.3849 5.3849 5.9737 5.9737 7.6767 7.6767 10.2181 10.2181 11.0601 11.0601 12.4890 12.4890 16.0633 16.0633 k =-0.2818 0.7900 0.4765 ( 1242 PWs) bands (ev): -5.3344 -5.3344 -5.3165 -5.3165 -5.2785 -5.2785 -5.2526 -5.2526 -4.8821 -4.8821 -4.8407 -4.8407 -4.7901 -4.7901 -4.7345 -4.7345 -4.7051 -4.7051 -4.6289 -4.6289 5.4868 5.4868 6.0739 6.0739 7.7694 7.7694 10.0260 10.0260 10.8868 10.8868 12.3343 12.3343 16.1521 16.1521 k =-0.2818 0.7900 0.4901 ( 1240 PWs) bands (ev): -5.3357 -5.3357 -5.3179 -5.3179 -5.2778 -5.2778 -5.2526 -5.2526 -4.8821 -4.8821 -4.8392 -4.8392 -4.7897 -4.7897 -4.7340 -4.7340 -4.7057 -4.7057 -4.6271 -4.6271 5.5917 5.5917 6.1765 6.1765 7.8616 7.8616 9.8366 9.8366 10.7187 10.7187 12.1784 12.1784 16.2436 16.2436 k =-0.2818 0.7900 0.5037 ( 1240 PWs) bands (ev): -5.3370 -5.3370 -5.3194 -5.3194 -5.2771 -5.2771 -5.2528 -5.2528 -4.8823 -4.8823 -4.8376 -4.8376 -4.7893 -4.7893 -4.7335 -4.7335 -4.7062 -4.7062 -4.6253 -4.6253 5.6995 5.6995 6.2814 6.2814 7.9525 7.9525 9.6499 9.6499 10.5570 10.5570 12.0218 12.0218 16.3376 16.3376 k =-0.2818 0.7900 0.5174 ( 1240 PWs) bands (ev): -5.3382 -5.3382 -5.3207 -5.3207 -5.2763 -5.2763 -5.2531 -5.2531 -4.8825 -4.8825 -4.8360 -4.8360 -4.7890 -4.7890 -4.7332 -4.7332 -4.7067 -4.7067 -4.6237 -4.6237 5.8102 5.8102 6.3883 6.3883 8.0407 8.0407 9.4663 9.4663 10.4030 10.4030 11.8652 11.8652 16.4337 16.4337 k =-0.2818 0.7900 0.5310 ( 1244 PWs) bands (ev): -5.3394 -5.3394 -5.3220 -5.3220 -5.2754 -5.2754 -5.2535 -5.2535 -4.8827 -4.8827 -4.8344 -4.8344 -4.7886 -4.7886 -4.7330 -4.7330 -4.7070 -4.7070 -4.6222 -4.6222 5.9238 5.9238 6.4972 6.4972 8.1243 8.1243 9.2858 9.2858 10.2587 10.2587 11.7088 11.7088 16.5316 16.5316 k =-0.2818 0.7900 0.5446 ( 1242 PWs) bands (ev): -5.3405 -5.3405 -5.3232 -5.3232 -5.2745 -5.2745 -5.2539 -5.2539 -4.8830 -4.8830 -4.8329 -4.8329 -4.7881 -4.7881 -4.7328 -4.7328 -4.7073 -4.7073 -4.6207 -4.6207 6.0401 6.0401 6.6076 6.6076 8.2008 8.2008 9.1087 9.1087 10.1269 10.1269 11.5534 11.5534 16.6308 16.6308 k =-0.2818 0.7900 0.5582 ( 1242 PWs) bands (ev): -5.3416 -5.3416 -5.3243 -5.3243 -5.2735 -5.2735 -5.2545 -5.2545 -4.8833 -4.8833 -4.8316 -4.8316 -4.7877 -4.7877 -4.7327 -4.7327 -4.7074 -4.7074 -4.6194 -4.6194 6.1592 6.1592 6.7193 6.7193 8.2668 8.2668 8.9353 8.9353 10.0110 10.0110 11.3993 11.3993 16.7308 16.7308 k =-0.2818 0.7900 0.5718 ( 1244 PWs) bands (ev): -5.3425 -5.3425 -5.3253 -5.3253 -5.2724 -5.2724 -5.2552 -5.2552 -4.8836 -4.8836 -4.8303 -4.8303 -4.7872 -4.7872 -4.7328 -4.7328 -4.7075 -4.7075 -4.6182 -4.6182 6.2808 6.2808 6.8316 6.8316 8.3176 8.3176 8.7662 8.7662 9.9157 9.9157 11.2470 11.2470 16.8309 16.8309 k =-0.2818 0.7900 0.5854 ( 1244 PWs) bands (ev): -5.3434 -5.3434 -5.3262 -5.3262 -5.2713 -5.2713 -5.2560 -5.2560 -4.8839 -4.8839 -4.8292 -4.8292 -4.7867 -4.7867 -4.7329 -4.7329 -4.7075 -4.7075 -4.6171 -4.6171 6.4049 6.4049 6.9437 6.9437 8.3481 8.3481 8.6022 8.6022 9.8462 9.8462 11.0968 11.0968 16.9303 16.9303 k =-0.2818 0.7900 0.5990 ( 1248 PWs) bands (ev): -5.3442 -5.3442 -5.3270 -5.3270 -5.2702 -5.2702 -5.2569 -5.2569 -4.8843 -4.8843 -4.8282 -4.8282 -4.7863 -4.7863 -4.7331 -4.7331 -4.7075 -4.7075 -4.6162 -4.6162 6.5312 6.5312 7.0541 7.0541 8.3528 8.3528 8.4457 8.4457 9.8070 9.8070 10.9493 10.9493 17.0276 17.0276 k =-0.2818 0.7900 0.6127 ( 1246 PWs) bands (ev): -5.3448 -5.3448 -5.3277 -5.3277 -5.2691 -5.2691 -5.2578 -5.2578 -4.8845 -4.8845 -4.8274 -4.8274 -4.7858 -4.7858 -4.7332 -4.7332 -4.7074 -4.7074 -4.6154 -4.6154 6.6593 6.6593 7.1601 7.1601 8.2872 8.2872 8.3415 8.3415 9.8006 9.8006 10.8049 10.8049 17.1213 17.1213 k =-0.2818 0.7900 0.6263 ( 1244 PWs) bands (ev): -5.3453 -5.3453 -5.3282 -5.3282 -5.2679 -5.2679 -5.2587 -5.2587 -4.8847 -4.8847 -4.8267 -4.8267 -4.7854 -4.7854 -4.7334 -4.7334 -4.7073 -4.7073 -4.6148 -4.6148 6.7885 6.7885 7.2570 7.2570 8.1536 8.1536 8.2936 8.2936 9.8257 9.8257 10.6644 10.6644 17.2091 17.2091 k =-0.2818 0.7900 0.6399 ( 1250 PWs) bands (ev): -5.3458 -5.3458 -5.3287 -5.3287 -5.2668 -5.2668 -5.2598 -5.2598 -4.8849 -4.8849 -4.8262 -4.8262 -4.7851 -4.7851 -4.7336 -4.7336 -4.7072 -4.7072 -4.6143 -4.6143 6.9179 6.9179 7.3342 7.3342 8.0396 8.0396 8.2292 8.2292 9.8781 9.8781 10.5284 10.5284 17.2877 17.2877 k =-0.2818 0.7900 0.6535 ( 1250 PWs) bands (ev): -5.3461 -5.3461 -5.3290 -5.3290 -5.2656 -5.2656 -5.2609 -5.2609 -4.8850 -4.8850 -4.8259 -4.8259 -4.7848 -4.7848 -4.7337 -4.7337 -4.7072 -4.7072 -4.6139 -4.6139 7.0455 7.0455 7.3726 7.3726 7.9660 7.9660 8.1531 8.1531 9.9526 9.9526 10.3982 10.3982 17.3528 17.3528 k =-0.2818 0.7900 0.6671 ( 1252 PWs) bands (ev): -5.3463 -5.3463 -5.3292 -5.3292 -5.2644 -5.2644 -5.2620 -5.2620 -4.8851 -4.8851 -4.8257 -4.8257 -4.7847 -4.7847 -4.7338 -4.7338 -4.7071 -4.7071 -4.6137 -4.6137 7.1672 7.1672 7.3513 7.3513 7.9518 7.9518 8.0749 8.0749 10.0425 10.0425 10.2763 10.2763 17.3980 17.3980 k =-0.2818 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3463 -5.3463 -5.3293 -5.3293 -5.2634 -5.2634 -5.2629 -5.2629 -4.8851 -4.8851 -4.8256 -4.8256 -4.7846 -4.7846 -4.7339 -4.7339 -4.7071 -4.7071 -4.6136 -4.6136 7.2715 7.2715 7.2784 7.2784 7.9751 7.9751 8.0226 8.0226 10.1185 10.1185 10.1901 10.1901 17.4149 17.4149 k =-0.2818 0.7900 0.6807 ( 1250 PWs) bands (ev): -5.3463 -5.3463 -5.3293 -5.3293 -5.2634 -5.2634 -5.2629 -5.2629 -4.8851 -4.8851 -4.8256 -4.8256 -4.7846 -4.7846 -4.7339 -4.7339 -4.7071 -4.7071 -4.6136 -4.6136 7.2715 7.2715 7.2784 7.2784 7.9751 7.9751 8.0226 8.0226 10.1185 10.1185 10.1901 10.1901 17.4149 17.4149 k =-0.2864 0.7773 0.6807 ( 1254 PWs) bands (ev): -5.3455 -5.3455 -5.3282 -5.3282 -5.2629 -5.2629 -5.2624 -5.2624 -4.8850 -4.8850 -4.8259 -4.8259 -4.7845 -4.7845 -4.7339 -4.7339 -4.7097 -4.7097 -4.6161 -4.6161 7.2312 7.2312 7.2387 7.2387 7.9428 7.9428 7.9913 7.9913 10.1063 10.1063 10.1779 10.1779 17.5820 17.5820 k =-0.2909 0.7646 0.6807 ( 1250 PWs) bands (ev): -5.3446 -5.3446 -5.3271 -5.3271 -5.2627 -5.2627 -5.2612 -5.2612 -4.8847 -4.8847 -4.8261 -4.8261 -4.7844 -4.7844 -4.7341 -4.7341 -4.7124 -4.7124 -4.6187 -4.6187 7.1615 7.1615 7.1681 7.1681 7.9264 7.9264 7.9734 7.9734 10.1177 10.1177 10.1886 10.1886 17.7507 17.7507 k =-0.2954 0.7518 0.6807 ( 1246 PWs) bands (ev): -5.3437 -5.3437 -5.3259 -5.3259 -5.2625 -5.2625 -5.2600 -5.2600 -4.8844 -4.8844 -4.8262 -4.8262 -4.7844 -4.7844 -4.7342 -4.7342 -4.7153 -4.7153 -4.6214 -4.6214 7.0728 7.0728 7.0777 7.0777 7.9138 7.9138 7.9577 7.9577 10.1539 10.1539 10.2234 10.2234 17.9207 17.9207 k =-0.3000 0.7391 0.6807 ( 1242 PWs) bands (ev): -5.3428 -5.3428 -5.3248 -5.3248 -5.2623 -5.2623 -5.2587 -5.2587 -4.8840 -4.8840 -4.8262 -4.8262 -4.7845 -4.7845 -4.7345 -4.7345 -4.7184 -4.7184 -4.6243 -4.6243 6.9730 6.9730 6.9763 6.9763 7.8961 7.8961 7.9363 7.9363 10.2150 10.2150 10.2822 10.2822 18.0919 18.0919 k =-0.3045 0.7263 0.6807 ( 1238 PWs) bands (ev): -5.3419 -5.3419 -5.3236 -5.3236 -5.2620 -5.2620 -5.2573 -5.2573 -4.8835 -4.8835 -4.8263 -4.8263 -4.7846 -4.7846 -4.7350 -4.7350 -4.7214 -4.7214 -4.6273 -4.6273 6.8675 6.8675 6.8693 6.8693 7.8691 7.8691 7.9052 7.9052 10.2996 10.2996 10.3640 10.3640 18.2641 18.2641 k =-0.3091 0.7136 0.6807 ( 1234 PWs) bands (ev): -5.3410 -5.3410 -5.3225 -5.3225 -5.2616 -5.2616 -5.2559 -5.2559 -4.8830 -4.8830 -4.8263 -4.8263 -4.7849 -4.7849 -4.7358 -4.7358 -4.7244 -4.7244 -4.6304 -4.6304 6.7592 6.7592 6.7599 6.7599 7.8315 7.8315 7.8635 7.8635 10.4055 10.4055 10.4669 10.4669 18.4369 18.4369 k =-0.3136 0.7008 0.6807 ( 1234 PWs) bands (ev): -5.3401 -5.3401 -5.3213 -5.3213 -5.2613 -5.2613 -5.2545 -5.2545 -4.8824 -4.8824 -4.8262 -4.8262 -4.7852 -4.7852 -4.7370 -4.7370 -4.7270 -4.7270 -4.6337 -4.6337 6.6499 6.6499 6.6502 6.6502 7.7839 7.7839 7.8119 7.8119 10.5302 10.5302 10.5886 10.5886 18.6103 18.6103 k =-0.3182 0.6881 0.6807 ( 1234 PWs) bands (ev): -5.3392 -5.3392 -5.3202 -5.3202 -5.2609 -5.2609 -5.2531 -5.2531 -4.8818 -4.8818 -4.8262 -4.8262 -4.7856 -4.7856 -4.7391 -4.7391 -4.7289 -4.7289 -4.6370 -4.6370 6.5406 6.5406 6.5417 6.5417 7.7275 7.7275 7.7518 7.7518 10.6712 10.6712 10.7266 10.7266 18.7839 18.7839 k =-0.3227 0.6753 0.6807 ( 1238 PWs) bands (ev): -5.3383 -5.3383 -5.3191 -5.3191 -5.2605 -5.2605 -5.2516 -5.2516 -4.8811 -4.8811 -4.8261 -4.8261 -4.7861 -4.7861 -4.7420 -4.7420 -4.7302 -4.7302 -4.6403 -4.6403 6.4327 6.4327 6.4343 6.4343 7.6639 7.6639 7.6850 7.6850 10.8260 10.8260 10.8787 10.8787 18.9575 18.9575 k =-0.3273 0.6626 0.6807 ( 1234 PWs) bands (ev): -5.3374 -5.3374 -5.3181 -5.3181 -5.2601 -5.2601 -5.2501 -5.2501 -4.8803 -4.8803 -4.8260 -4.8260 -4.7867 -4.7867 -4.7454 -4.7454 -4.7309 -4.7309 -4.6437 -4.6437 6.3266 6.3266 6.3286 6.3286 7.5948 7.5948 7.6129 7.6129 10.9926 10.9926 11.0428 11.0428 19.1306 19.1306 k =-0.3318 0.6499 0.6807 ( 1234 PWs) bands (ev): -5.3365 -5.3365 -5.3171 -5.3171 -5.2596 -5.2596 -5.2487 -5.2487 -4.8795 -4.8795 -4.8259 -4.8259 -4.7872 -4.7872 -4.7492 -4.7492 -4.7312 -4.7312 -4.6471 -4.6471 6.2226 6.2226 6.2250 6.2250 7.5214 7.5214 7.5370 7.5370 11.1693 11.1693 11.2173 11.2173 19.3030 19.3030 k =-0.3364 0.6371 0.6807 ( 1230 PWs) bands (ev): -5.3357 -5.3357 -5.3162 -5.3162 -5.2591 -5.2591 -5.2473 -5.2473 -4.8787 -4.8787 -4.8258 -4.8258 -4.7879 -4.7879 -4.7530 -4.7530 -4.7314 -4.7314 -4.6504 -4.6504 6.1209 6.1209 6.1236 6.1236 7.4451 7.4451 7.4583 7.4583 11.3547 11.3547 11.4008 11.4008 19.4741 19.4741 k =-0.3409 0.6244 0.6807 ( 1230 PWs) bands (ev): -5.3349 -5.3349 -5.3154 -5.3154 -5.2587 -5.2587 -5.2460 -5.2460 -4.8778 -4.8778 -4.8258 -4.8258 -4.7885 -4.7885 -4.7570 -4.7570 -4.7315 -4.7315 -4.6537 -4.6537 6.0218 6.0218 6.0247 6.0247 7.3666 7.3666 7.3779 7.3779 11.5477 11.5477 11.5921 11.5921 19.6434 19.6434 k =-0.3454 0.6116 0.6807 ( 1232 PWs) bands (ev): -5.3341 -5.3341 -5.3146 -5.3146 -5.2583 -5.2583 -5.2448 -5.2448 -4.8769 -4.8769 -4.8259 -4.8259 -4.7893 -4.7893 -4.7609 -4.7609 -4.7315 -4.7315 -4.6570 -4.6570 5.9253 5.9253 5.9284 5.9284 7.2870 7.2870 7.2966 7.2966 11.7474 11.7474 11.7904 11.7904 19.8103 19.8103 k =-0.3500 0.5989 0.6807 ( 1232 PWs) bands (ev): -5.3333 -5.3333 -5.3139 -5.3139 -5.2579 -5.2579 -5.2436 -5.2436 -4.8761 -4.8761 -4.8261 -4.8261 -4.7900 -4.7900 -4.7647 -4.7647 -4.7314 -4.7314 -4.6602 -4.6602 5.8314 5.8314 5.8347 5.8347 7.2068 7.2068 7.2149 7.2149 11.9530 11.9530 11.9948 11.9948 19.9742 19.9742 k =-0.3545 0.5861 0.6807 ( 1232 PWs) bands (ev): -5.3326 -5.3326 -5.3133 -5.3133 -5.2575 -5.2575 -5.2425 -5.2425 -4.8752 -4.8752 -4.8264 -4.8264 -4.7907 -4.7907 -4.7683 -4.7683 -4.7312 -4.7312 -4.6633 -4.6633 5.7404 5.7404 5.7437 5.7437 7.1266 7.1266 7.1334 7.1334 12.1641 12.1641 12.2048 12.2048 20.1344 20.1344 k =-0.3591 0.5734 0.6807 ( 1232 PWs) bands (ev): -5.3319 -5.3319 -5.3127 -5.3127 -5.2571 -5.2571 -5.2416 -5.2416 -4.8743 -4.8743 -4.8268 -4.8268 -4.7915 -4.7915 -4.7718 -4.7718 -4.7309 -4.7309 -4.6662 -4.6662 5.6521 5.6521 5.6554 5.6554 7.0468 7.0468 7.0525 7.0525 12.3801 12.3801 12.4199 12.4199 20.2901 20.2901 k =-0.3636 0.5607 0.6807 ( 1228 PWs) bands (ev): -5.3312 -5.3312 -5.3123 -5.3123 -5.2568 -5.2568 -5.2407 -5.2407 -4.8733 -4.8733 -4.8274 -4.8274 -4.7922 -4.7922 -4.7750 -4.7750 -4.7305 -4.7305 -4.6691 -4.6691 5.5666 5.5666 5.5700 5.5700 6.9679 6.9679 6.9726 6.9726 12.6006 12.6006 12.6396 12.6396 20.4404 20.4404 k =-0.3682 0.5479 0.6807 ( 1232 PWs) bands (ev): -5.3305 -5.3305 -5.3119 -5.3119 -5.2567 -5.2567 -5.2401 -5.2401 -4.8725 -4.8725 -4.8282 -4.8282 -4.7930 -4.7930 -4.7780 -4.7780 -4.7301 -4.7301 -4.6718 -4.6718 5.4840 5.4840 5.4873 5.4873 6.8900 6.8900 6.8939 6.8939 12.8252 12.8252 12.8636 12.8636 20.5844 20.5844 k =-0.3727 0.5352 0.6807 ( 1232 PWs) bands (ev): -5.3299 -5.3299 -5.3116 -5.3116 -5.2565 -5.2565 -5.2396 -5.2396 -4.8716 -4.8716 -4.8291 -4.8291 -4.7936 -4.7936 -4.7806 -4.7806 -4.7296 -4.7296 -4.6743 -4.6743 5.4042 5.4042 5.4075 5.4075 6.8136 6.8136 6.8167 6.8167 13.0538 13.0538 13.0917 13.0917 20.7211 20.7211 k =-0.3773 0.5224 0.6807 ( 1232 PWs) bands (ev): -5.3294 -5.3294 -5.3114 -5.3114 -5.2565 -5.2565 -5.2392 -5.2392 -4.8708 -4.8708 -4.8303 -4.8303 -4.7943 -4.7943 -4.7829 -4.7829 -4.7290 -4.7290 -4.6767 -4.6767 5.3273 5.3273 5.3306 5.3306 6.7387 6.7387 6.7412 6.7412 13.2860 13.2860 13.3235 13.3235 20.8497 20.8497 k =-0.3818 0.5097 0.6807 ( 1232 PWs) bands (ev): -5.3289 -5.3289 -5.3113 -5.3113 -5.2565 -5.2565 -5.2391 -5.2391 -4.8700 -4.8700 -4.8316 -4.8316 -4.7949 -4.7949 -4.7849 -4.7849 -4.7283 -4.7283 -4.6790 -4.6790 5.2532 5.2532 5.2565 5.2565 6.6656 6.6656 6.6676 6.6676 13.5216 13.5216 13.5588 13.5588 20.9692 20.9692 k =-0.3864 0.4969 0.6807 ( 1232 PWs) bands (ev): -5.3284 -5.3284 -5.3112 -5.3112 -5.2566 -5.2566 -5.2390 -5.2390 -4.8693 -4.8693 -4.8330 -4.8330 -4.7954 -4.7954 -4.7867 -4.7867 -4.7276 -4.7276 -4.6811 -4.6811 5.1820 5.1820 5.1852 5.1852 6.5945 6.5945 6.5960 6.5960 13.7605 13.7605 13.7975 13.7975 21.0789 21.0789 k =-0.3909 0.4842 0.6807 ( 1236 PWs) bands (ev): -5.3280 -5.3280 -5.3112 -5.3112 -5.2569 -5.2569 -5.2392 -5.2392 -4.8686 -4.8686 -4.8345 -4.8345 -4.7959 -4.7959 -4.7882 -4.7882 -4.7267 -4.7267 -4.6830 -4.6830 5.1137 5.1137 5.1168 5.1168 6.5254 6.5254 6.5265 6.5265 14.0024 14.0024 14.0392 14.0392 21.1782 21.1782 k =-0.3955 0.4715 0.6807 ( 1236 PWs) bands (ev): -5.3275 -5.3275 -5.3113 -5.3113 -5.2571 -5.2571 -5.2395 -5.2395 -4.8679 -4.8679 -4.8362 -4.8362 -4.7963 -4.7963 -4.7894 -4.7894 -4.7257 -4.7257 -4.6847 -4.6847 5.0483 5.0483 5.0513 5.0513 6.4586 6.4586 6.4593 6.4593 14.2472 14.2472 14.2840 14.2840 21.2668 21.2668 k =-0.4000 0.4587 0.6807 ( 1236 PWs) bands (ev): -5.3271 -5.3271 -5.3114 -5.3114 -5.2575 -5.2575 -5.2401 -5.2401 -4.8672 -4.8672 -4.8378 -4.8378 -4.7967 -4.7967 -4.7904 -4.7904 -4.7247 -4.7247 -4.6863 -4.6863 4.9857 4.9857 4.9886 4.9886 6.3940 6.3940 6.3945 6.3945 14.4947 14.4947 14.5314 14.5314 21.3444 21.3444 k =-0.4045 0.4460 0.6807 ( 1240 PWs) bands (ev): -5.3268 -5.3268 -5.3117 -5.3117 -5.2580 -5.2580 -5.2408 -5.2408 -4.8666 -4.8666 -4.8394 -4.8394 -4.7970 -4.7970 -4.7914 -4.7914 -4.7236 -4.7236 -4.6877 -4.6877 4.9260 4.9260 4.9288 4.9288 6.3319 6.3319 6.3321 6.3321 14.7447 14.7447 14.7815 14.7815 21.4112 21.4112 k =-0.4091 0.4332 0.6807 ( 1240 PWs) bands (ev): -5.3265 -5.3265 -5.3119 -5.3119 -5.2585 -5.2585 -5.2416 -5.2416 -4.8660 -4.8660 -4.8410 -4.8410 -4.7973 -4.7973 -4.7921 -4.7921 -4.7224 -4.7224 -4.6890 -4.6890 4.8691 4.8691 4.8718 4.8718 6.2722 6.2722 6.2722 6.2722 14.9970 14.9970 15.0340 15.0340 21.4675 21.4675 k =-0.4136 0.4205 0.6807 ( 1238 PWs) bands (ev): -5.3262 -5.3262 -5.3123 -5.3123 -5.2591 -5.2591 -5.2426 -5.2426 -4.8654 -4.8654 -4.8425 -4.8425 -4.7975 -4.7975 -4.7928 -4.7928 -4.7211 -4.7211 -4.6901 -4.6901 4.8150 4.8150 4.8177 4.8177 6.2149 6.2149 6.2151 6.2151 15.2515 15.2515 15.2888 15.2888 21.5139 21.5139 k =-0.4182 0.4077 0.6807 ( 1234 PWs) bands (ev): -5.3259 -5.3259 -5.3126 -5.3126 -5.2597 -5.2597 -5.2437 -5.2437 -4.8648 -4.8648 -4.8439 -4.8439 -4.7977 -4.7977 -4.7934 -4.7934 -4.7197 -4.7197 -4.6910 -4.6910 4.7638 4.7638 4.7663 4.7663 6.1603 6.1603 6.1606 6.1606 15.5080 15.5080 15.5456 15.5456 21.5512 21.5512 k =-0.4227 0.3950 0.6807 ( 1230 PWs) bands (ev): -5.3256 -5.3256 -5.3131 -5.3131 -5.2604 -5.2604 -5.2450 -5.2450 -4.8641 -4.8641 -4.8452 -4.8452 -4.7978 -4.7978 -4.7939 -4.7939 -4.7183 -4.7183 -4.6918 -4.6918 4.7155 4.7155 4.7178 4.7178 6.1083 6.1083 6.1088 6.1088 15.7662 15.7662 15.8041 15.8041 21.5801 21.5801 k =-0.4273 0.3822 0.6807 ( 1238 PWs) bands (ev): -5.3255 -5.3255 -5.3136 -5.3136 -5.2611 -5.2611 -5.2463 -5.2463 -4.8636 -4.8636 -4.8464 -4.8464 -4.7980 -4.7980 -4.7945 -4.7945 -4.7170 -4.7170 -4.6925 -4.6925 4.6699 4.6699 4.6722 4.6722 6.0591 6.0591 6.0597 6.0597 16.0258 16.0258 16.0642 16.0642 21.6014 21.6014 k =-0.4318 0.3695 0.6807 ( 1236 PWs) bands (ev): -5.3253 -5.3253 -5.3141 -5.3141 -5.2619 -5.2619 -5.2477 -5.2477 -4.8630 -4.8630 -4.8475 -4.8475 -4.7981 -4.7981 -4.7949 -4.7949 -4.7155 -4.7155 -4.6931 -4.6931 4.6271 4.6271 4.6293 4.6293 6.0127 6.0127 6.0133 6.0133 16.2867 16.2867 16.3256 16.3256 21.6160 21.6160 k =-0.4364 0.3568 0.6807 ( 1232 PWs) bands (ev): -5.3250 -5.3250 -5.3147 -5.3147 -5.2625 -5.2625 -5.2492 -5.2492 -4.8624 -4.8624 -4.8484 -4.8484 -4.7982 -4.7982 -4.7954 -4.7954 -4.7141 -4.7141 -4.6936 -4.6936 4.5872 4.5872 4.5892 4.5892 5.9692 5.9692 5.9698 5.9698 16.5484 16.5484 16.5879 16.5879 21.6245 21.6245 k =-0.4409 0.3440 0.6807 ( 1240 PWs) bands (ev): -5.3249 -5.3249 -5.3153 -5.3153 -5.2633 -5.2633 -5.2508 -5.2508 -4.8619 -4.8619 -4.8493 -4.8493 -4.7984 -4.7984 -4.7959 -4.7959 -4.7127 -4.7127 -4.6940 -4.6940 4.5500 4.5500 4.5519 4.5519 5.9285 5.9285 5.9291 5.9291 16.8104 16.8104 16.8507 16.8507 21.6277 21.6277 k =-0.4455 0.3313 0.6807 ( 1236 PWs) bands (ev): -5.3248 -5.3248 -5.3159 -5.3159 -5.2640 -5.2640 -5.2523 -5.2523 -4.8613 -4.8613 -4.8500 -4.8500 -4.7985 -4.7985 -4.7963 -4.7963 -4.7112 -4.7112 -4.6943 -4.6943 4.5157 4.5157 4.5174 4.5174 5.8907 5.8907 5.8913 5.8913 17.0724 17.0724 17.1134 17.1134 21.6259 21.6259 k =-0.4500 0.3185 0.6807 ( 1232 PWs) bands (ev): -5.3246 -5.3246 -5.3165 -5.3165 -5.2646 -5.2646 -5.2538 -5.2538 -4.8607 -4.8607 -4.8506 -4.8506 -4.7985 -4.7985 -4.7966 -4.7966 -4.7098 -4.7098 -4.6945 -4.6945 4.4841 4.4841 4.4857 4.4857 5.8558 5.8558 5.8565 5.8565 17.3336 17.3336 17.3754 17.3754 21.6196 21.6196 k =-0.4545 0.3058 0.6807 ( 1232 PWs) bands (ev): -5.3245 -5.3245 -5.3171 -5.3171 -5.2652 -5.2652 -5.2553 -5.2553 -4.8601 -4.8601 -4.8512 -4.8512 -4.7987 -4.7987 -4.7970 -4.7970 -4.7084 -4.7084 -4.6948 -4.6948 4.4553 4.4553 4.4568 4.4568 5.8239 5.8239 5.8245 5.8245 17.5933 17.5933 17.6359 17.6359 21.6088 21.6088 k =-0.4591 0.2930 0.6807 ( 1232 PWs) bands (ev): -5.3244 -5.3244 -5.3177 -5.3177 -5.2657 -5.2657 -5.2567 -5.2567 -4.8595 -4.8595 -4.8517 -4.8517 -4.7988 -4.7988 -4.7974 -4.7974 -4.7070 -4.7070 -4.6950 -4.6950 4.4293 4.4293 4.4306 4.4306 5.7950 5.7950 5.7956 5.7956 17.8503 17.8503 17.8937 17.8937 21.5935 21.5935 k =-0.4636 0.2803 0.6807 ( 1228 PWs) bands (ev): -5.3242 -5.3242 -5.3184 -5.3184 -5.2661 -5.2661 -5.2581 -5.2581 -4.8589 -4.8589 -4.8521 -4.8521 -4.7989 -4.7989 -4.7977 -4.7977 -4.7057 -4.7057 -4.6952 -4.6952 4.4060 4.4060 4.4072 4.4072 5.7690 5.7690 5.7696 5.7696 18.1032 18.1032 18.1473 18.1473 21.5735 21.5735 k =-0.4682 0.2676 0.6807 ( 1228 PWs) bands (ev): -5.3241 -5.3241 -5.3190 -5.3190 -5.2665 -5.2665 -5.2595 -5.2595 -4.8583 -4.8583 -4.8525 -4.8525 -4.7990 -4.7990 -4.7980 -4.7980 -4.7045 -4.7045 -4.6954 -4.6954 4.3855 4.3855 4.3865 4.3865 5.7461 5.7461 5.7466 5.7466 18.3501 18.3501 18.3946 18.3946 21.5484 21.5484 k =-0.4727 0.2548 0.6807 ( 1228 PWs) bands (ev): -5.3239 -5.3239 -5.3196 -5.3196 -5.2667 -5.2667 -5.2607 -5.2607 -4.8578 -4.8578 -4.8528 -4.8528 -4.7991 -4.7991 -4.7983 -4.7983 -4.7033 -4.7033 -4.6956 -4.6956 4.3677 4.3677 4.3686 4.3686 5.7262 5.7262 5.7267 5.7267 18.5882 18.5882 18.6328 18.6328 21.5177 21.5177 k =-0.4773 0.2421 0.6807 ( 1232 PWs) bands (ev): -5.3238 -5.3238 -5.3201 -5.3201 -5.2669 -5.2669 -5.2619 -5.2619 -4.8573 -4.8573 -4.8532 -4.8532 -4.7992 -4.7992 -4.7986 -4.7986 -4.7023 -4.7023 -4.6959 -4.6959 4.3527 4.3527 4.3534 4.3534 5.7094 5.7094 5.7098 5.7098 18.8139 18.8139 18.8576 18.8576 21.4815 21.4815 k =-0.4818 0.2293 0.6807 ( 1232 PWs) bands (ev): -5.3236 -5.3236 -5.3207 -5.3207 -5.2669 -5.2669 -5.2629 -5.2629 -4.8567 -4.8567 -4.8535 -4.8535 -4.7992 -4.7992 -4.7988 -4.7988 -4.7013 -4.7013 -4.6962 -4.6962 4.3405 4.3405 4.3410 4.3410 5.6956 5.6956 5.6959 5.6959 19.0220 19.0220 19.0632 19.0632 21.4408 21.4408 k =-0.4864 0.2166 0.6807 ( 1232 PWs) bands (ev): -5.3233 -5.3233 -5.3212 -5.3212 -5.2669 -5.2669 -5.2639 -5.2639 -4.8563 -4.8563 -4.8539 -4.8539 -4.7993 -4.7993 -4.7990 -4.7990 -4.7004 -4.7004 -4.6966 -4.6966 4.3309 4.3309 4.3314 4.3314 5.6849 5.6849 5.6851 5.6851 19.2050 19.2050 19.2413 19.2413 21.3990 21.3990 k =-0.4909 0.2038 0.6807 ( 1236 PWs) bands (ev): -5.3231 -5.3231 -5.3217 -5.3217 -5.2667 -5.2667 -5.2647 -5.2647 -4.8558 -4.8558 -4.8542 -4.8542 -4.7994 -4.7994 -4.7991 -4.7991 -4.6995 -4.6995 -4.6971 -4.6971 4.3242 4.3242 4.3245 4.3245 5.6772 5.6772 5.6774 5.6774 19.3527 19.3527 19.3806 19.3806 21.3628 21.3628 k =-0.4955 0.1911 0.6807 ( 1240 PWs) bands (ev): -5.3228 -5.3228 -5.3221 -5.3221 -5.2664 -5.2664 -5.2654 -5.2654 -4.8554 -4.8554 -4.8546 -4.8546 -4.7994 -4.7994 -4.7993 -4.7993 -4.6988 -4.6988 -4.6976 -4.6976 4.3201 4.3201 4.3203 4.3203 5.6726 5.6726 5.6727 5.6727 19.4528 19.4528 19.4682 19.4682 21.3416 21.3416 k =-0.5000 0.1784 0.6807 ( 1240 PWs) bands (ev): -5.3225 -5.3225 -5.3225 -5.3225 -5.2660 -5.2660 -5.2660 -5.2660 -4.8550 -4.8550 -4.8550 -4.8550 -4.7993 -4.7993 -4.7993 -4.7993 -4.6982 -4.6982 -4.6982 -4.6982 4.3188 4.3188 4.3188 4.3188 5.6711 5.6711 5.6711 5.6711 19.4934 19.4934 19.4934 19.4934 21.3441 21.3441 k =-0.5000 0.1784 0.6807 ( 1240 PWs) bands (ev): -5.3225 -5.3225 -5.3225 -5.3225 -5.2660 -5.2660 -5.2660 -5.2660 -4.8550 -4.8550 -4.8550 -4.8550 -4.7993 -4.7993 -4.7993 -4.7993 -4.6982 -4.6982 -4.6982 -4.6982 4.3188 4.3188 4.3188 4.3188 5.6711 5.6711 5.6711 5.6711 19.4934 19.4934 19.4934 19.4934 21.3441 21.3441 k =-0.5000 0.1784 0.6671 ( 1240 PWs) bands (ev): -5.3230 -5.3230 -5.3219 -5.3219 -5.2662 -5.2662 -5.2657 -5.2657 -4.8562 -4.8562 -4.8538 -4.8538 -4.7999 -4.7999 -4.7988 -4.7988 -4.6999 -4.6999 -4.6966 -4.6966 4.2325 4.2325 4.3804 4.3804 5.6127 5.6127 5.7603 5.7603 19.3555 19.3555 19.6327 19.6327 21.3337 21.3337 k =-0.5000 0.1784 0.6535 ( 1240 PWs) bands (ev): -5.3234 -5.3234 -5.3214 -5.3214 -5.2665 -5.2665 -5.2654 -5.2654 -4.8573 -4.8573 -4.8525 -4.8525 -4.8005 -4.8005 -4.7983 -4.7983 -4.7017 -4.7017 -4.6951 -4.6951 4.1298 4.1298 4.4087 4.4087 5.5934 5.5934 5.8718 5.8718 19.2192 19.2192 19.7734 19.7734 21.3155 21.3155 k =-0.5000 0.1784 0.6399 ( 1240 PWs) bands (ev): -5.3238 -5.3238 -5.3208 -5.3208 -5.2668 -5.2668 -5.2652 -5.2652 -4.8583 -4.8583 -4.8511 -4.8511 -4.8010 -4.8010 -4.7978 -4.7978 -4.7036 -4.7036 -4.6936 -4.6936 4.0169 4.0169 4.3994 4.3994 5.6177 5.6177 5.9994 5.9994 19.0846 19.0846 19.9152 19.9152 21.2900 21.2900 k =-0.5000 0.1784 0.6263 ( 1240 PWs) bands (ev): -5.3243 -5.3243 -5.3201 -5.3201 -5.2670 -5.2670 -5.2649 -5.2649 -4.8593 -4.8593 -4.8498 -4.8498 -4.8016 -4.8016 -4.7973 -4.7973 -4.7056 -4.7056 -4.6923 -4.6923 3.8981 3.8981 4.3557 4.3557 5.6824 5.6824 6.1389 6.1389 18.9518 18.9518 20.0579 20.0579 21.2577 21.2577 k =-0.5000 0.1784 0.6127 ( 1240 PWs) bands (ev): -5.3247 -5.3247 -5.3194 -5.3194 -5.2673 -5.2673 -5.2646 -5.2646 -4.8602 -4.8602 -4.8484 -4.8484 -4.8021 -4.8021 -4.7969 -4.7969 -4.7077 -4.7077 -4.6910 -4.6910 3.7762 3.7762 4.2857 4.2857 5.7793 5.7793 6.2874 6.2874 18.8210 18.8210 20.2012 20.2012 21.2190 21.2190 k =-0.5000 0.1784 0.5990 ( 1236 PWs) bands (ev): -5.3251 -5.3251 -5.3186 -5.3186 -5.2675 -5.2675 -5.2643 -5.2643 -4.8611 -4.8611 -4.8469 -4.8469 -4.8026 -4.8026 -4.7966 -4.7966 -4.7099 -4.7099 -4.6898 -4.6898 3.6530 3.6530 4.1979 4.1979 5.8999 5.8999 6.4432 6.4432 18.6923 18.6923 20.3448 20.3448 21.1748 21.1748 k =-0.5000 0.1784 0.5854 ( 1236 PWs) bands (ev): -5.3255 -5.3255 -5.3177 -5.3177 -5.2677 -5.2677 -5.2641 -5.2641 -4.8618 -4.8618 -4.8455 -4.8455 -4.8030 -4.8030 -4.7963 -4.7963 -4.7122 -4.7122 -4.6886 -4.6886 3.5296 3.5296 4.0990 4.0990 6.0376 6.0376 6.6051 6.6051 18.5655 18.5655 20.4877 20.4877 21.1260 21.1260 k =-0.5000 0.1784 0.5718 ( 1232 PWs) bands (ev): -5.3260 -5.3260 -5.3168 -5.3168 -5.2679 -5.2679 -5.2638 -5.2638 -4.8626 -4.8626 -4.8440 -4.8440 -4.8034 -4.8034 -4.7960 -4.7960 -4.7146 -4.7146 -4.6875 -4.6875 3.4069 3.4069 3.9936 3.9936 6.1876 6.1876 6.7722 6.7722 18.4410 18.4410 20.6285 20.6285 21.0739 21.0739 k =-0.5000 0.1784 0.5582 ( 1240 PWs) bands (ev): -5.3265 -5.3265 -5.3159 -5.3159 -5.2682 -5.2682 -5.2635 -5.2635 -4.8633 -4.8633 -4.8425 -4.8425 -4.8038 -4.8038 -4.7959 -4.7959 -4.7172 -4.7172 -4.6864 -4.6864 3.2855 3.2855 3.8847 3.8847 6.3472 6.3472 6.9440 6.9440 18.3186 18.3186 20.7624 20.7624 21.0214 21.0214 k =-0.5000 0.1784 0.5446 ( 1244 PWs) bands (ev): -5.3270 -5.3270 -5.3149 -5.3149 -5.2684 -5.2684 -5.2633 -5.2633 -4.8638 -4.8638 -4.8411 -4.8411 -4.8041 -4.8041 -4.7958 -4.7958 -4.7199 -4.7199 -4.6854 -4.6854 3.1657 3.1657 3.7742 3.7742 6.5142 6.5142 7.1201 7.1201 18.1986 18.1986 20.8640 20.8640 20.9819 20.9819 k =-0.5000 0.1784 0.5310 ( 1244 PWs) bands (ev): -5.3276 -5.3276 -5.3138 -5.3138 -5.2686 -5.2686 -5.2630 -5.2630 -4.8643 -4.8643 -4.8396 -4.8396 -4.8044 -4.8044 -4.7957 -4.7957 -4.7226 -4.7226 -4.6843 -4.6843 3.0478 3.0478 3.6634 3.6634 6.6875 6.6875 7.3001 7.3001 18.0810 18.0810 20.8608 20.8608 20.9652 20.9652 k =-0.5000 0.1784 0.5174 ( 1244 PWs) bands (ev): -5.3283 -5.3283 -5.3126 -5.3126 -5.2688 -5.2688 -5.2626 -5.2626 -4.8648 -4.8648 -4.8381 -4.8381 -4.8046 -4.8046 -4.7957 -4.7957 -4.7253 -4.7253 -4.6833 -4.6833 2.9321 2.9321 3.5531 3.5531 6.8662 6.8662 7.4838 7.4838 17.9658 17.9658 20.8062 20.8062 20.9188 20.9188 k =-0.5000 0.1784 0.5037 ( 1240 PWs) bands (ev): -5.3290 -5.3290 -5.3114 -5.3114 -5.2690 -5.2690 -5.2623 -5.2623 -4.8651 -4.8651 -4.8367 -4.8367 -4.8047 -4.8047 -4.7957 -4.7957 -4.7282 -4.7282 -4.6823 -4.6823 2.8188 2.8188 3.4439 3.4439 7.0495 7.0495 7.6711 7.6711 17.8530 17.8530 20.7430 20.7430 20.8601 20.8601 k =-0.5000 0.1784 0.4901 ( 1240 PWs) bands (ev): -5.3298 -5.3298 -5.3102 -5.3102 -5.2692 -5.2692 -5.2619 -5.2619 -4.8653 -4.8653 -4.8353 -4.8353 -4.8048 -4.8048 -4.7958 -4.7958 -4.7311 -4.7311 -4.6812 -4.6812 2.7080 2.7080 3.3364 3.3364 7.2372 7.2372 7.8618 7.8618 17.7428 17.7428 20.6771 20.6771 20.7968 20.7968 k =-0.5000 0.1784 0.4765 ( 1242 PWs) bands (ev): -5.3306 -5.3306 -5.3089 -5.3089 -5.2694 -5.2694 -5.2616 -5.2616 -4.8656 -4.8656 -4.8340 -4.8340 -4.8049 -4.8049 -4.7958 -4.7958 -4.7341 -4.7341 -4.6802 -4.6802 2.5997 2.5997 3.2308 3.2308 7.4288 7.4288 8.0557 8.0557 17.6350 17.6350 20.6101 20.6101 20.7309 20.7309 k =-0.5000 0.1784 0.4629 ( 1242 PWs) bands (ev): -5.3315 -5.3315 -5.3076 -5.3076 -5.2696 -5.2696 -5.2612 -5.2612 -4.8657 -4.8657 -4.8327 -4.8327 -4.8049 -4.8049 -4.7958 -4.7958 -4.7371 -4.7371 -4.6791 -4.6791 2.4941 2.4941 3.1273 3.1273 7.6241 7.6241 8.2528 8.2528 17.5300 17.5300 20.5428 20.5428 20.6632 20.6632 k =-0.5000 0.1784 0.4493 ( 1238 PWs) bands (ev): -5.3325 -5.3325 -5.3062 -5.3062 -5.2698 -5.2698 -5.2607 -5.2607 -4.8657 -4.8657 -4.8316 -4.8316 -4.8049 -4.8049 -4.7957 -4.7957 -4.7401 -4.7401 -4.6780 -4.6780 2.3913 2.3913 3.0261 3.0261 7.8230 7.8230 8.4530 8.4530 17.4276 17.4276 20.4756 20.4756 20.5943 20.5943 k =-0.5000 0.1784 0.4357 ( 1238 PWs) bands (ev): -5.3336 -5.3336 -5.3049 -5.3049 -5.2701 -5.2701 -5.2603 -5.2603 -4.8657 -4.8657 -4.8305 -4.8305 -4.8050 -4.8050 -4.7955 -4.7955 -4.7432 -4.7432 -4.6769 -4.6769 2.2912 2.2912 2.9274 2.9274 8.0252 8.0252 8.6562 8.6562 17.3279 17.3279 20.4088 20.4088 20.5246 20.5246 k =-0.5000 0.1784 0.4221 ( 1240 PWs) bands (ev): -5.3348 -5.3348 -5.3035 -5.3035 -5.2704 -5.2704 -5.2599 -5.2599 -4.8656 -4.8656 -4.8295 -4.8295 -4.8052 -4.8052 -4.7952 -4.7952 -4.7462 -4.7462 -4.6757 -4.6757 2.1940 2.1940 2.8313 2.8313 8.2306 8.2306 8.8623 8.8623 17.2308 17.2308 20.3428 20.3428 20.4543 20.4543 k =-0.5000 0.1784 0.4084 ( 1240 PWs) bands (ev): -5.3360 -5.3360 -5.3021 -5.3021 -5.2707 -5.2707 -5.2594 -5.2594 -4.8655 -4.8655 -4.8286 -4.8286 -4.8055 -4.8055 -4.7946 -4.7946 -4.7493 -4.7493 -4.6746 -4.6746 2.0996 2.0996 2.7378 2.7378 8.4392 8.4392 9.0713 9.0713 17.1366 17.1366 20.2778 20.2778 20.3836 20.3836 k =-0.5000 0.1784 0.3948 ( 1238 PWs) bands (ev): -5.3373 -5.3373 -5.3008 -5.3008 -5.2710 -5.2710 -5.2590 -5.2590 -4.8652 -4.8652 -4.8278 -4.8278 -4.8059 -4.8059 -4.7939 -4.7939 -4.7523 -4.7523 -4.6734 -4.6734 2.0082 2.0082 2.6470 2.6470 8.6507 8.6507 9.2832 9.2832 17.0451 17.0451 20.2140 20.2140 20.3128 20.3128 k =-0.5000 0.1784 0.3812 ( 1234 PWs) bands (ev): -5.3386 -5.3386 -5.2994 -5.2994 -5.2713 -5.2713 -5.2585 -5.2585 -4.8649 -4.8649 -4.8271 -4.8271 -4.8062 -4.8062 -4.7930 -4.7930 -4.7552 -4.7552 -4.6722 -4.6722 1.9197 1.9197 2.5591 2.5591 8.8653 8.8653 9.4978 9.4978 16.9565 16.9565 20.1515 20.1515 20.2418 20.2418 k =-0.5000 0.1784 0.3676 ( 1234 PWs) bands (ev): -5.3400 -5.3400 -5.2980 -5.2980 -5.2716 -5.2716 -5.2581 -5.2581 -4.8646 -4.8646 -4.8266 -4.8266 -4.8067 -4.8067 -4.7921 -4.7921 -4.7581 -4.7581 -4.6709 -4.6709 1.8342 1.8342 2.4740 2.4740 9.0827 9.0827 9.7152 9.7152 16.8707 16.8707 20.0904 20.0904 20.1708 20.1708 k =-0.5000 0.1784 0.3540 ( 1240 PWs) bands (ev): -5.3415 -5.3415 -5.2968 -5.2968 -5.2720 -5.2720 -5.2577 -5.2577 -4.8642 -4.8642 -4.8262 -4.8262 -4.8072 -4.8072 -4.7910 -4.7910 -4.7610 -4.7610 -4.6697 -4.6697 1.7517 1.7517 2.3917 2.3917 9.3028 9.3028 9.9351 9.9351 16.7878 16.7878 20.0308 20.0308 20.0997 20.0997 k =-0.5000 0.1784 0.3404 ( 1236 PWs) bands (ev): -5.3429 -5.3429 -5.2955 -5.2955 -5.2724 -5.2724 -5.2573 -5.2573 -4.8637 -4.8637 -4.8259 -4.8259 -4.8076 -4.8076 -4.7899 -4.7899 -4.7636 -4.7636 -4.6684 -4.6684 1.6721 1.6721 2.3124 2.3124 9.5258 9.5258 10.1578 10.1578 16.7078 16.7078 19.9727 19.9727 20.0286 20.0286 k =-0.5000 0.1784 0.3268 ( 1236 PWs) bands (ev): -5.3445 -5.3445 -5.2943 -5.2943 -5.2727 -5.2727 -5.2570 -5.2570 -4.8632 -4.8632 -4.8257 -4.8257 -4.8080 -4.8080 -4.7888 -4.7888 -4.7661 -4.7661 -4.6672 -4.6672 1.5956 1.5956 2.2360 2.2360 9.7513 9.7513 10.3830 10.3830 16.6308 16.6308 19.9162 19.9162 19.9575 19.9575 k =-0.5000 0.1784 0.3131 ( 1236 PWs) bands (ev): -5.3460 -5.3460 -5.2931 -5.2931 -5.2731 -5.2731 -5.2567 -5.2567 -4.8626 -4.8626 -4.8257 -4.8257 -4.8083 -4.8083 -4.7878 -4.7878 -4.7684 -4.7684 -4.6659 -4.6659 1.5221 1.5221 2.1625 2.1625 9.9795 9.9795 10.6106 10.6106 16.5567 16.5567 19.8607 19.8607 19.8865 19.8865 k =-0.5000 0.1784 0.2995 ( 1230 PWs) bands (ev): -5.3475 -5.3475 -5.2920 -5.2920 -5.2733 -5.2733 -5.2563 -5.2563 -4.8619 -4.8619 -4.8257 -4.8257 -4.8085 -4.8085 -4.7869 -4.7869 -4.7703 -4.7703 -4.6647 -4.6647 1.4517 1.4517 2.0921 2.0921 10.2101 10.2101 10.8408 10.8408 16.4856 16.4856 19.8040 19.8040 19.8179 19.8179 k =-0.5000 0.1784 0.2859 ( 1226 PWs) bands (ev): -5.3491 -5.3491 -5.2910 -5.2910 -5.2736 -5.2736 -5.2561 -5.2561 -4.8612 -4.8612 -4.8260 -4.8260 -4.8086 -4.8086 -4.7864 -4.7864 -4.7717 -4.7717 -4.6634 -4.6634 1.3843 1.3843 2.0247 2.0247 10.4432 10.4432 11.0732 11.0732 16.4175 16.4175 19.7368 19.7368 19.7602 19.7602 k =-0.5000 0.1784 0.2723 ( 1226 PWs) bands (ev): -5.3506 -5.3506 -5.2901 -5.2901 -5.2739 -5.2739 -5.2559 -5.2559 -4.8605 -4.8605 -4.8264 -4.8264 -4.8087 -4.8087 -4.7864 -4.7864 -4.7725 -4.7725 -4.6622 -4.6622 1.3200 1.3200 1.9603 1.9603 10.6786 10.6786 11.3080 11.3080 16.3524 16.3524 19.6633 19.6633 19.7086 19.7086 k =-0.5000 0.1784 0.2587 ( 1226 PWs) bands (ev): -5.3522 -5.3522 -5.2893 -5.2893 -5.2742 -5.2742 -5.2557 -5.2557 -4.8597 -4.8597 -4.8269 -4.8269 -4.8087 -4.8087 -4.7869 -4.7869 -4.7727 -4.7727 -4.6610 -4.6610 1.2588 1.2588 1.8989 1.8989 10.9162 10.9162 11.5449 11.5449 16.2904 16.2904 19.5872 19.5872 19.6582 19.6582 k =-0.5000 0.1784 0.2451 ( 1224 PWs) bands (ev): -5.3537 -5.3537 -5.2886 -5.2886 -5.2743 -5.2743 -5.2556 -5.2556 -4.8589 -4.8589 -4.8274 -4.8274 -4.8086 -4.8086 -4.7879 -4.7879 -4.7723 -4.7723 -4.6598 -4.6598 1.2006 1.2006 1.8407 1.8407 11.1560 11.1560 11.7840 11.7840 16.2315 16.2315 19.5084 19.5084 19.6077 19.6077 k =-0.5000 0.1784 0.2315 ( 1232 PWs) bands (ev): -5.3552 -5.3552 -5.2882 -5.2882 -5.2745 -5.2745 -5.2556 -5.2556 -4.8581 -4.8581 -4.8281 -4.8281 -4.8086 -4.8086 -4.7892 -4.7892 -4.7715 -4.7715 -4.6586 -4.6586 1.1456 1.1456 1.7855 1.7855 11.3978 11.3978 12.0250 12.0250 16.1757 16.1757 19.4262 19.4262 19.5542 19.5542 k =-0.5000 0.1784 0.2178 ( 1232 PWs) bands (ev): -5.3566 -5.3566 -5.2877 -5.2877 -5.2745 -5.2745 -5.2556 -5.2556 -4.8572 -4.8572 -4.8288 -4.8288 -4.8086 -4.8086 -4.7904 -4.7904 -4.7705 -4.7705 -4.6575 -4.6575 1.0937 1.0937 1.7333 1.7333 11.6414 11.6414 12.2678 12.2678 16.1229 16.1229 19.3397 19.3397 19.4931 19.4931 k =-0.5000 0.1784 0.2042 ( 1236 PWs) bands (ev): -5.3581 -5.3581 -5.2875 -5.2875 -5.2745 -5.2745 -5.2556 -5.2556 -4.8563 -4.8563 -4.8295 -4.8295 -4.8088 -4.8088 -4.7917 -4.7917 -4.7693 -4.7693 -4.6564 -4.6564 1.0448 1.0448 1.6843 1.6843 11.8866 11.8866 12.5124 12.5124 16.0733 16.0733 19.2478 19.2478 19.4159 19.4159 k =-0.5000 0.1784 0.1906 ( 1232 PWs) bands (ev): -5.3594 -5.3594 -5.2873 -5.2873 -5.2744 -5.2744 -5.2557 -5.2557 -4.8553 -4.8553 -4.8302 -4.8302 -4.8089 -4.8089 -4.7928 -4.7928 -4.7681 -4.7681 -4.6554 -4.6554 0.9991 0.9991 1.6384 1.6384 12.1333 12.1333 12.7586 12.7586 16.0269 16.0269 19.1492 19.1492 19.3148 19.3148 k =-0.5000 0.1784 0.1770 ( 1236 PWs) bands (ev): -5.3607 -5.3607 -5.2873 -5.2873 -5.2742 -5.2742 -5.2558 -5.2558 -4.8544 -4.8544 -4.8309 -4.8309 -4.8093 -4.8093 -4.7938 -4.7938 -4.7668 -4.7668 -4.6544 -4.6544 0.9565 0.9565 1.5956 1.5956 12.3811 12.3811 13.0060 13.0060 15.9836 15.9836 19.0426 19.0426 19.1888 19.1888 k =-0.5000 0.1784 0.1634 ( 1232 PWs) bands (ev): -5.3619 -5.3619 -5.2874 -5.2874 -5.2740 -5.2740 -5.2559 -5.2559 -4.8534 -4.8534 -4.8315 -4.8315 -4.8097 -4.8097 -4.7945 -4.7945 -4.7656 -4.7656 -4.6534 -4.6534 0.9171 0.9171 1.5560 1.5560 12.6298 12.6298 13.2545 13.2545 15.9435 15.9435 18.9264 18.9264 19.0416 19.0416 k =-0.5000 0.1784 0.1498 ( 1236 PWs) bands (ev): -5.3631 -5.3631 -5.2875 -5.2875 -5.2738 -5.2738 -5.2560 -5.2560 -4.8525 -4.8525 -4.8321 -4.8321 -4.8104 -4.8104 -4.7950 -4.7950 -4.7644 -4.7644 -4.6526 -4.6526 0.8808 0.8808 1.5195 1.5195 12.8789 12.8789 13.5037 13.5037 15.9066 15.9066 18.7995 18.7995 18.8760 18.8760 k =-0.5000 0.1784 0.1361 ( 1240 PWs) bands (ev): -5.3642 -5.3642 -5.2877 -5.2877 -5.2735 -5.2735 -5.2561 -5.2561 -4.8516 -4.8516 -4.8327 -4.8327 -4.8111 -4.8111 -4.7954 -4.7954 -4.7633 -4.7633 -4.6518 -4.6518 0.8476 0.8476 1.4861 1.4861 13.1278 13.1278 13.7531 13.7531 15.8729 15.8729 18.6606 18.6606 18.6946 18.6946 k =-0.5000 0.1784 0.1225 ( 1240 PWs) bands (ev): -5.3653 -5.3653 -5.2879 -5.2879 -5.2733 -5.2733 -5.2563 -5.2563 -4.8507 -4.8507 -4.8332 -4.8332 -4.8119 -4.8119 -4.7956 -4.7956 -4.7622 -4.7622 -4.6510 -4.6510 0.8176 0.8176 1.4559 1.4559 13.3757 13.3757 14.0024 14.0024 15.8425 15.8425 18.4997 18.4997 18.5097 18.5097 k =-0.5000 0.1784 0.1089 ( 1248 PWs) bands (ev): -5.3663 -5.3663 -5.2881 -5.2881 -5.2731 -5.2731 -5.2564 -5.2564 -4.8499 -4.8499 -4.8337 -4.8337 -4.8128 -4.8128 -4.7957 -4.7957 -4.7612 -4.7612 -4.6504 -4.6504 0.7907 0.7907 1.4289 1.4289 13.6216 13.6216 14.2505 14.2505 15.8154 15.8154 18.2948 18.2948 18.3462 18.3462 k =-0.5000 0.1784 0.0953 ( 1240 PWs) bands (ev): -5.3671 -5.3671 -5.2883 -5.2883 -5.2728 -5.2728 -5.2565 -5.2565 -4.8490 -4.8490 -4.8341 -4.8341 -4.8136 -4.8136 -4.7957 -4.7957 -4.7603 -4.7603 -4.6497 -4.6497 0.7670 0.7670 1.4050 1.4050 13.8640 13.8640 14.4967 14.4967 15.7916 15.7916 18.0831 18.0831 18.1719 18.1719 k =-0.5000 0.1784 0.0817 ( 1240 PWs) bands (ev): -5.3678 -5.3678 -5.2885 -5.2885 -5.2725 -5.2725 -5.2566 -5.2566 -4.8483 -4.8483 -4.8345 -4.8345 -4.8145 -4.8145 -4.7956 -4.7956 -4.7595 -4.7595 -4.6492 -4.6492 0.7464 0.7464 1.3843 1.3843 14.1006 14.1006 14.7391 14.7391 15.7712 15.7712 17.8687 17.8687 17.9885 17.9885 k =-0.5000 0.1784 0.0681 ( 1240 PWs) bands (ev): -5.3684 -5.3684 -5.2887 -5.2887 -5.2723 -5.2723 -5.2568 -5.2568 -4.8476 -4.8476 -4.8349 -4.8349 -4.8152 -4.8152 -4.7955 -4.7955 -4.7589 -4.7589 -4.6487 -4.6487 0.7290 0.7290 1.3668 1.3668 14.3281 14.3281 14.9754 14.9754 15.7543 15.7543 17.6567 17.6567 17.7995 17.7995 k =-0.5000 0.1784 0.0545 ( 1240 PWs) bands (ev): -5.3689 -5.3689 -5.2889 -5.2889 -5.2721 -5.2721 -5.2569 -5.2569 -4.8470 -4.8470 -4.8352 -4.8352 -4.8159 -4.8159 -4.7954 -4.7954 -4.7583 -4.7583 -4.6484 -4.6484 0.7148 0.7148 1.3524 1.3524 14.5414 14.5414 15.2015 15.2015 15.7411 15.7411 17.4536 17.4536 17.6100 17.6100 k =-0.5000 0.1784 0.0408 ( 1244 PWs) bands (ev): -5.3694 -5.3694 -5.2890 -5.2890 -5.2721 -5.2721 -5.2569 -5.2569 -4.8466 -4.8466 -4.8354 -4.8354 -4.8164 -4.8164 -4.7954 -4.7954 -4.7579 -4.7579 -4.6481 -4.6481 0.7037 0.7037 1.3413 1.3413 14.7322 14.7322 15.4104 15.4104 15.7317 15.7317 17.2687 17.2687 17.4280 17.4280 k =-0.5000 0.1784 0.0272 ( 1244 PWs) bands (ev): -5.3696 -5.3696 -5.2891 -5.2891 -5.2720 -5.2720 -5.2570 -5.2570 -4.8462 -4.8462 -4.8356 -4.8356 -4.8168 -4.8168 -4.7953 -4.7953 -4.7576 -4.7576 -4.6479 -4.6479 0.6958 0.6958 1.3333 1.3333 14.8885 14.8885 15.5892 15.5892 15.7264 15.7264 17.1152 17.1152 17.2670 17.2670 k =-0.5000 0.1784 0.0136 ( 1246 PWs) bands (ev): -5.3698 -5.3698 -5.2892 -5.2892 -5.2719 -5.2719 -5.2571 -5.2571 -4.8460 -4.8460 -4.8357 -4.8357 -4.8170 -4.8170 -4.7953 -4.7953 -4.7574 -4.7574 -4.6477 -4.6477 0.6910 0.6910 1.3285 1.3285 14.9936 14.9936 15.7090 15.7090 15.7320 15.7320 17.0108 17.0108 17.1495 17.1495 k =-0.5000 0.1784 0.0000 ( 1254 PWs) bands (ev): -5.3699 -5.3699 -5.2893 -5.2893 -5.2719 -5.2719 -5.2572 -5.2572 -4.8459 -4.8459 -4.8358 -4.8358 -4.8172 -4.8172 -4.7953 -4.7953 -4.7574 -4.7574 -4.6477 -4.6477 0.6894 0.6894 1.3269 1.3269 15.0310 15.0310 15.7196 15.7196 15.7687 15.7687 16.9733 16.9733 17.1050 17.1050 k = 0.0000 0.0000 0.6807 ( 1244 PWs) bands (ev): -5.3327 -5.3327 -5.3327 -5.3327 -5.2610 -5.2610 -5.2610 -5.2610 -4.8634 -4.8634 -4.8634 -4.8634 -4.7896 -4.7896 -4.7896 -4.7896 -4.6833 -4.6833 -4.6833 -4.6833 2.4961 2.4961 2.4961 2.4961 11.7655 11.7655 11.7655 11.7655 12.4154 12.4154 12.4154 12.4154 20.2615 20.2615 k =-0.0128 0.0046 0.6807 ( 1242 PWs) bands (ev): -5.3327 -5.3327 -5.3327 -5.3327 -5.2610 -5.2610 -5.2610 -5.2610 -4.8634 -4.8634 -4.8634 -4.8634 -4.7896 -4.7896 -4.7896 -4.7896 -4.6833 -4.6833 -4.6833 -4.6833 2.4977 2.4977 2.4977 2.4977 11.6916 11.6916 11.6916 11.6916 12.4920 12.4920 12.4920 12.4920 20.2598 20.2598 k =-0.0256 0.0091 0.6807 ( 1230 PWs) bands (ev): -5.3325 -5.3325 -5.3325 -5.3325 -5.2609 -5.2609 -5.2609 -5.2609 -4.8634 -4.8634 -4.8634 -4.8634 -4.7895 -4.7895 -4.7895 -4.7895 -4.6834 -4.6834 -4.6834 -4.6834 2.5023 2.5023 2.5023 2.5023 11.5267 11.5267 11.5267 11.5267 12.6649 12.6649 12.6649 12.6649 20.2550 20.2550 k =-0.0385 0.0137 0.6807 ( 1230 PWs) bands (ev): -5.3325 -5.3325 -5.3325 -5.3325 -5.2609 -5.2609 -5.2609 -5.2609 -4.8634 -4.8634 -4.8634 -4.8634 -4.7894 -4.7894 -4.7894 -4.7894 -4.6835 -4.6835 -4.6835 -4.6835 2.5101 2.5101 2.5101 2.5101 11.3299 11.3299 11.3299 11.3299 12.8749 12.8749 12.8749 12.8749 20.2469 20.2469 k =-0.0513 0.0183 0.6807 ( 1234 PWs) bands (ev): -5.3324 -5.3324 -5.3324 -5.3324 -5.2610 -5.2610 -5.2610 -5.2610 -4.8634 -4.8634 -4.8634 -4.8634 -4.7894 -4.7894 -4.7894 -4.7894 -4.6838 -4.6838 -4.6838 -4.6838 2.5210 2.5210 2.5210 2.5210 11.1225 11.1225 11.1225 11.1225 13.1008 13.1008 13.1008 13.1008 20.2357 20.2357 k =-0.0641 0.0229 0.6807 ( 1234 PWs) bands (ev): -5.3323 -5.3323 -5.3323 -5.3323 -5.2610 -5.2610 -5.2610 -5.2610 -4.8635 -4.8635 -4.8635 -4.8635 -4.7893 -4.7893 -4.7893 -4.7893 -4.6840 -4.6840 -4.6840 -4.6840 2.5350 2.5350 2.5350 2.5350 10.9115 10.9115 10.9115 10.9115 13.3354 13.3354 13.3354 13.3354 20.2216 20.2216 k =-0.0769 0.0274 0.6807 ( 1234 PWs) bands (ev): -5.3322 -5.3322 -5.3322 -5.3322 -5.2611 -5.2611 -5.2611 -5.2611 -4.8635 -4.8635 -4.8635 -4.8635 -4.7892 -4.7892 -4.7892 -4.7892 -4.6844 -4.6844 -4.6844 -4.6844 2.5521 2.5521 2.5521 2.5521 10.7000 10.7000 10.7000 10.7000 13.5759 13.5759 13.5759 13.5759 20.2048 20.2048 k =-0.0897 0.0320 0.6807 ( 1232 PWs) bands (ev): -5.3320 -5.3320 -5.3320 -5.3320 -5.2611 -5.2611 -5.2611 -5.2611 -4.8636 -4.8636 -4.8636 -4.8636 -4.7891 -4.7891 -4.7891 -4.7891 -4.6848 -4.6848 -4.6848 -4.6848 2.5722 2.5722 2.5722 2.5722 10.4893 10.4893 10.4893 10.4893 13.8208 13.8208 13.8208 13.8208 20.1855 20.1855 k =-0.1026 0.0366 0.6807 ( 1236 PWs) bands (ev): -5.3318 -5.3318 -5.3318 -5.3318 -5.2612 -5.2612 -5.2612 -5.2612 -4.8636 -4.8636 -4.8636 -4.8636 -4.7890 -4.7890 -4.7890 -4.7890 -4.6853 -4.6853 -4.6853 -4.6853 2.5955 2.5955 2.5955 2.5955 10.2801 10.2801 10.2801 10.2801 14.0693 14.0693 14.0693 14.0693 20.1638 20.1638 k =-0.1154 0.0412 0.6807 ( 1232 PWs) bands (ev): -5.3316 -5.3316 -5.3316 -5.3316 -5.2612 -5.2612 -5.2612 -5.2612 -4.8636 -4.8636 -4.8636 -4.8636 -4.7889 -4.7889 -4.7889 -4.7889 -4.6858 -4.6858 -4.6858 -4.6858 2.6218 2.6218 2.6218 2.6218 10.0730 10.0730 10.0730 10.0730 14.3211 14.3211 14.3211 14.3211 20.1402 20.1402 k =-0.1282 0.0457 0.6807 ( 1234 PWs) bands (ev): -5.3314 -5.3314 -5.3314 -5.3314 -5.2613 -5.2613 -5.2613 -5.2613 -4.8636 -4.8636 -4.8636 -4.8636 -4.7888 -4.7888 -4.7888 -4.7888 -4.6863 -4.6863 -4.6863 -4.6863 2.6512 2.6512 2.6512 2.6512 9.8681 9.8681 9.8681 9.8681 14.5756 14.5756 14.5756 14.5756 20.1147 20.1147 k =-0.1410 0.0503 0.6807 ( 1234 PWs) bands (ev): -5.3311 -5.3311 -5.3311 -5.3311 -5.2614 -5.2614 -5.2614 -5.2614 -4.8636 -4.8636 -4.8636 -4.8636 -4.7887 -4.7887 -4.7887 -4.7887 -4.6869 -4.6869 -4.6869 -4.6869 2.6836 2.6836 2.6836 2.6836 9.6657 9.6657 9.6657 9.6657 14.8328 14.8328 14.8328 14.8328 20.0878 20.0878 k =-0.1538 0.0549 0.6807 ( 1234 PWs) bands (ev): -5.3308 -5.3308 -5.3308 -5.3308 -5.2615 -5.2615 -5.2615 -5.2615 -4.8636 -4.8636 -4.8636 -4.8636 -4.7887 -4.7887 -4.7887 -4.7887 -4.6875 -4.6875 -4.6875 -4.6875 2.7190 2.7190 2.7190 2.7190 9.4659 9.4659 9.4659 9.4659 15.0925 15.0925 15.0925 15.0925 20.0596 20.0596 k =-0.1667 0.0595 0.6807 ( 1230 PWs) bands (ev): -5.3305 -5.3305 -5.3305 -5.3305 -5.2616 -5.2616 -5.2616 -5.2616 -4.8636 -4.8636 -4.8636 -4.8636 -4.7887 -4.7887 -4.7887 -4.7887 -4.6880 -4.6880 -4.6880 -4.6880 2.7575 2.7575 2.7575 2.7575 9.2689 9.2689 9.2689 9.2689 15.3545 15.3545 15.3545 15.3545 20.0304 20.0304 k =-0.1795 0.0640 0.6807 ( 1234 PWs) bands (ev): -5.3302 -5.3302 -5.3302 -5.3302 -5.2618 -5.2618 -5.2618 -5.2618 -4.8636 -4.8636 -4.8636 -4.8636 -4.7887 -4.7887 -4.7887 -4.7887 -4.6887 -4.6887 -4.6887 -4.6887 2.7989 2.7989 2.7989 2.7989 9.0746 9.0746 9.0746 9.0746 15.6187 15.6187 15.6187 15.6187 20.0005 20.0005 k =-0.1923 0.0686 0.6807 ( 1238 PWs) bands (ev): -5.3299 -5.3299 -5.3299 -5.3299 -5.2619 -5.2619 -5.2619 -5.2619 -4.8635 -4.8635 -4.8635 -4.8635 -4.7887 -4.7887 -4.7887 -4.7887 -4.6894 -4.6894 -4.6894 -4.6894 2.8433 2.8433 2.8433 2.8433 8.8831 8.8831 8.8831 8.8831 15.8847 15.8847 15.8847 15.8847 19.9701 19.9701 k =-0.2051 0.0732 0.6807 ( 1238 PWs) bands (ev): -5.3296 -5.3296 -5.3296 -5.3296 -5.2621 -5.2621 -5.2621 -5.2621 -4.8634 -4.8634 -4.8634 -4.8634 -4.7888 -4.7888 -4.7888 -4.7888 -4.6900 -4.6900 -4.6900 -4.6900 2.8905 2.8905 2.8905 2.8905 8.6947 8.6947 8.6947 8.6947 16.1527 16.1527 16.1527 16.1527 19.9395 19.9395 k =-0.2179 0.0777 0.6807 ( 1242 PWs) bands (ev): -5.3292 -5.3292 -5.3292 -5.3292 -5.2623 -5.2623 -5.2623 -5.2623 -4.8632 -4.8632 -4.8632 -4.8632 -4.7890 -4.7890 -4.7890 -4.7890 -4.6907 -4.6907 -4.6907 -4.6907 2.9407 2.9407 2.9407 2.9407 8.5092 8.5092 8.5092 8.5092 16.4224 16.4224 16.4224 16.4224 19.9088 19.9088 k =-0.2308 0.0823 0.6807 ( 1242 PWs) bands (ev): -5.3288 -5.3288 -5.3288 -5.3288 -5.2624 -5.2624 -5.2624 -5.2624 -4.8630 -4.8630 -4.8630 -4.8630 -4.7892 -4.7892 -4.7892 -4.7892 -4.6913 -4.6913 -4.6913 -4.6913 2.9937 2.9937 2.9937 2.9937 8.3268 8.3268 8.3268 8.3268 16.6936 16.6936 16.6936 16.6936 19.8783 19.8783 k =-0.2436 0.0869 0.6807 ( 1246 PWs) bands (ev): -5.3284 -5.3284 -5.3284 -5.3284 -5.2626 -5.2626 -5.2626 -5.2626 -4.8628 -4.8628 -4.8628 -4.8628 -4.7895 -4.7895 -4.7895 -4.7895 -4.6920 -4.6920 -4.6920 -4.6920 3.0496 3.0496 3.0496 3.0496 8.1476 8.1476 8.1476 8.1476 16.9660 16.9660 16.9660 16.9660 19.8482 19.8482 k =-0.2564 0.0915 0.6807 ( 1240 PWs) bands (ev): -5.3280 -5.3280 -5.3280 -5.3280 -5.2628 -5.2628 -5.2628 -5.2628 -4.8625 -4.8625 -4.8625 -4.8625 -4.7897 -4.7897 -4.7897 -4.7897 -4.6926 -4.6926 -4.6926 -4.6926 3.1081 3.1081 3.1081 3.1081 7.9715 7.9715 7.9715 7.9715 17.2396 17.2396 17.2396 17.2396 19.8187 19.8187 k =-0.2692 0.0960 0.6807 ( 1240 PWs) bands (ev): -5.3276 -5.3276 -5.3276 -5.3276 -5.2630 -5.2630 -5.2630 -5.2630 -4.8622 -4.8622 -4.8622 -4.8622 -4.7901 -4.7901 -4.7901 -4.7901 -4.6932 -4.6932 -4.6932 -4.6932 3.1693 3.1693 3.1693 3.1693 7.7988 7.7988 7.7988 7.7988 17.5139 17.5139 17.5139 17.5139 19.7900 19.7900 k =-0.2821 0.1006 0.6807 ( 1240 PWs) bands (ev): -5.3272 -5.3272 -5.3272 -5.3272 -5.2632 -5.2632 -5.2632 -5.2632 -4.8618 -4.8618 -4.8618 -4.8618 -4.7905 -4.7905 -4.7905 -4.7905 -4.6938 -4.6938 -4.6938 -4.6938 3.2332 3.2332 3.2332 3.2332 7.6295 7.6295 7.6295 7.6295 17.7885 17.7885 17.7885 17.7885 19.7623 19.7623 k =-0.2949 0.1052 0.6807 ( 1240 PWs) bands (ev): -5.3268 -5.3268 -5.3268 -5.3268 -5.2634 -5.2634 -5.2634 -5.2634 -4.8614 -4.8614 -4.8614 -4.8614 -4.7910 -4.7910 -4.7910 -4.7910 -4.6943 -4.6943 -4.6943 -4.6943 3.2994 3.2994 3.2994 3.2994 7.4637 7.4637 7.4637 7.4637 18.0631 18.0631 18.0631 18.0631 19.7358 19.7358 k =-0.3077 0.1098 0.6807 ( 1242 PWs) bands (ev): -5.3264 -5.3264 -5.3264 -5.3264 -5.2636 -5.2636 -5.2636 -5.2636 -4.8610 -4.8610 -4.8610 -4.8610 -4.7916 -4.7916 -4.7916 -4.7916 -4.6948 -4.6948 -4.6948 -4.6948 3.3681 3.3681 3.3681 3.3681 7.3015 7.3015 7.3015 7.3015 18.3369 18.3369 18.3369 18.3369 19.7107 19.7107 k =-0.3205 0.1143 0.6807 ( 1242 PWs) bands (ev): -5.3260 -5.3260 -5.3260 -5.3260 -5.2639 -5.2639 -5.2639 -5.2639 -4.8606 -4.8606 -4.8606 -4.8606 -4.7922 -4.7922 -4.7922 -4.7922 -4.6953 -4.6953 -4.6953 -4.6953 3.4390 3.4390 3.4390 3.4390 7.1431 7.1431 7.1431 7.1431 18.6093 18.6093 18.6093 18.6093 19.6874 19.6874 k =-0.3333 0.1189 0.6807 ( 1242 PWs) bands (ev): -5.3256 -5.3256 -5.3256 -5.3256 -5.2641 -5.2641 -5.2641 -5.2641 -4.8601 -4.8601 -4.8601 -4.8601 -4.7928 -4.7928 -4.7928 -4.7928 -4.6957 -4.6957 -4.6957 -4.6957 3.5119 3.5119 3.5119 3.5119 6.9887 6.9887 6.9887 6.9887 18.8786 18.8786 18.8786 18.8786 19.6668 19.6668 k =-0.3462 0.1235 0.6807 ( 1238 PWs) bands (ev): -5.3252 -5.3252 -5.3252 -5.3252 -5.2643 -5.2643 -5.2643 -5.2643 -4.8595 -4.8595 -4.8595 -4.8595 -4.7934 -4.7934 -4.7934 -4.7934 -4.6961 -4.6961 -4.6961 -4.6961 3.5866 3.5866 3.5866 3.5866 6.8385 6.8385 6.8385 6.8385 19.1420 19.1420 19.1420 19.1420 19.6512 19.6512 k =-0.3590 0.1280 0.6807 ( 1242 PWs) bands (ev): -5.3248 -5.3248 -5.3248 -5.3248 -5.2645 -5.2645 -5.2645 -5.2645 -4.8590 -4.8590 -4.8590 -4.8590 -4.7941 -4.7941 -4.7941 -4.7941 -4.6965 -4.6965 -4.6965 -4.6965 3.6627 3.6627 3.6627 3.6627 6.6929 6.6929 6.6929 6.6929 19.3870 19.3870 19.3870 19.3870 19.6518 19.6518 k =-0.3718 0.1326 0.6807 ( 1238 PWs) bands (ev): -5.3244 -5.3244 -5.3244 -5.3244 -5.2647 -5.2647 -5.2647 -5.2647 -4.8585 -4.8585 -4.8585 -4.8585 -4.7948 -4.7948 -4.7948 -4.7948 -4.6968 -4.6968 -4.6968 -4.6968 3.7400 3.7400 3.7400 3.7400 6.5522 6.5522 6.5522 6.5522 19.5348 19.5348 19.5348 19.5348 19.7462 19.7462 k =-0.3846 0.1372 0.6807 ( 1238 PWs) bands (ev): -5.3241 -5.3241 -5.3241 -5.3241 -5.2649 -5.2649 -5.2649 -5.2649 -4.8579 -4.8579 -4.8579 -4.8579 -4.7955 -4.7955 -4.7955 -4.7955 -4.6970 -4.6970 -4.6970 -4.6970 3.8178 3.8178 3.8178 3.8178 6.4169 6.4169 6.4169 6.4169 19.5525 19.5525 19.5525 19.5525 19.9655 19.9655 k =-0.3974 0.1418 0.6807 ( 1238 PWs) bands (ev): -5.3238 -5.3238 -5.3238 -5.3238 -5.2651 -5.2651 -5.2651 -5.2651 -4.8574 -4.8574 -4.8574 -4.8574 -4.7962 -4.7962 -4.7962 -4.7962 -4.6973 -4.6973 -4.6973 -4.6973 3.8956 3.8956 3.8956 3.8956 6.2878 6.2878 6.2878 6.2878 19.5456 19.5456 19.5456 19.5456 20.2019 20.2019 k =-0.4103 0.1463 0.6807 ( 1234 PWs) bands (ev): -5.3235 -5.3235 -5.3235 -5.3235 -5.2653 -5.2653 -5.2653 -5.2653 -4.8569 -4.8569 -4.8569 -4.8569 -4.7968 -4.7968 -4.7968 -4.7968 -4.6975 -4.6975 -4.6975 -4.6975 3.9723 3.9723 3.9723 3.9723 6.1657 6.1657 6.1657 6.1657 19.5352 19.5352 19.5352 19.5352 20.4314 20.4314 k =-0.4231 0.1509 0.6807 ( 1238 PWs) bands (ev): -5.3232 -5.3232 -5.3232 -5.3232 -5.2655 -5.2655 -5.2655 -5.2655 -4.8564 -4.8564 -4.8564 -4.8564 -4.7974 -4.7974 -4.7974 -4.7974 -4.6977 -4.6977 -4.6977 -4.6977 4.0469 4.0469 4.0469 4.0469 6.0519 6.0519 6.0519 6.0519 19.5249 19.5249 19.5249 19.5249 20.6469 20.6469 k =-0.4359 0.1555 0.6807 ( 1238 PWs) bands (ev): -5.3230 -5.3230 -5.3230 -5.3230 -5.2656 -5.2656 -5.2656 -5.2656 -4.8560 -4.8560 -4.8560 -4.8560 -4.7980 -4.7980 -4.7980 -4.7980 -4.6978 -4.6978 -4.6978 -4.6978 4.1175 4.1175 4.1175 4.1175 5.9481 5.9481 5.9481 5.9481 19.5156 19.5156 19.5156 19.5156 20.8428 20.8428 k =-0.4487 0.1601 0.6807 ( 1238 PWs) bands (ev): -5.3228 -5.3228 -5.3228 -5.3228 -5.2657 -5.2657 -5.2657 -5.2657 -4.8557 -4.8557 -4.8557 -4.8557 -4.7984 -4.7984 -4.7984 -4.7984 -4.6980 -4.6980 -4.6980 -4.6980 4.1820 4.1820 4.1820 4.1820 5.8563 5.8563 5.8563 5.8563 19.5078 19.5078 19.5078 19.5078 21.0137 21.0137 k =-0.4615 0.1646 0.6807 ( 1236 PWs) bands (ev): -5.3227 -5.3227 -5.3227 -5.3227 -5.2658 -5.2658 -5.2658 -5.2658 -4.8554 -4.8554 -4.8554 -4.8554 -4.7988 -4.7988 -4.7988 -4.7988 -4.6980 -4.6980 -4.6980 -4.6980 4.2377 4.2377 4.2377 4.2377 5.7795 5.7795 5.7795 5.7795 19.5015 19.5015 19.5015 19.5015 21.1539 21.1539 k =-0.4744 0.1692 0.6807 ( 1240 PWs) bands (ev): -5.3226 -5.3226 -5.3226 -5.3226 -5.2659 -5.2659 -5.2659 -5.2659 -4.8552 -4.8552 -4.8552 -4.8552 -4.7991 -4.7991 -4.7991 -4.7991 -4.6981 -4.6981 -4.6981 -4.6981 4.2812 4.2812 4.2812 4.2812 5.7208 5.7208 5.7208 5.7208 19.4970 19.4970 19.4970 19.4970 21.2582 21.2582 k =-0.4872 0.1738 0.6807 ( 1240 PWs) bands (ev): -5.3225 -5.3225 -5.3225 -5.3225 -5.2659 -5.2659 -5.2659 -5.2659 -4.8550 -4.8550 -4.8550 -4.8550 -4.7993 -4.7993 -4.7993 -4.7993 -4.6981 -4.6981 -4.6981 -4.6981 4.3092 4.3092 4.3092 4.3092 5.6838 5.6838 5.6838 5.6838 19.4943 19.4943 19.4943 19.4943 21.3224 21.3224 k =-0.5000 0.1784 0.6807 ( 1240 PWs) bands (ev): -5.3225 -5.3225 -5.3225 -5.3225 -5.2660 -5.2660 -5.2660 -5.2660 -4.8550 -4.8550 -4.8550 -4.8550 -4.7993 -4.7993 -4.7993 -4.7993 -4.6982 -4.6982 -4.6982 -4.6982 4.3188 4.3188 4.3188 4.3188 5.6711 5.6711 5.6711 5.6711 19.4934 19.4934 19.4934 19.4934 21.3441 21.3441 Writing output data file Ga.save init_run : 0.09s CPU 0.23s WALL ( 1 calls) electrons : 65.91s CPU 67.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 65.90s CPU 67.55s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 552 calls) cegterg : 60.48s CPU 61.54s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 26.62s CPU 27.82s WALL ( 7452 calls) s_psi : 1.24s CPU 1.27s WALL ( 7452 calls) g_psi : 0.06s CPU 0.06s WALL ( 6347 calls) cdiaghg : 32.56s CPU 32.71s WALL ( 6899 calls) cegterg:over : 1.82s CPU 1.73s WALL ( 6347 calls) cegterg:upda : 1.07s CPU 1.17s WALL ( 6347 calls) cegterg:last : 0.49s CPU 0.53s WALL ( 1187 calls) cdiaghg:chol : 1.53s CPU 1.58s WALL ( 6899 calls) cdiaghg:inve : 1.04s CPU 1.05s WALL ( 6899 calls) cdiaghg:para : 1.68s CPU 1.77s WALL ( 13798 calls) Called by h_psi: h_psi:vloc : 23.75s CPU 24.74s WALL ( 7452 calls) h_psi:vnl : 2.84s CPU 3.04s WALL ( 7452 calls) add_vuspsi : 1.61s CPU 1.72s WALL ( 7452 calls) General routines calbec : 1.21s CPU 1.31s WALL ( 7452 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 22.38s CPU 23.33s WALL ( 590752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 1104 calls) Parallel routines fft_scatter : 10.50s CPU 10.95s WALL ( 590775 calls) PWSCF : 1m17.07s CPU 1m36.39s WALL This run was terminated on: 19: 1:29 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=