Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:10:45 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: ./CO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 12 3 907 386 63 Max 22 13 4 916 407 72 Sum 775 441 141 32789 14217 2523 bravais-lattice index = 14 lattice parameter (alat) = 5.4571 a.u. unit-cell volume = 328.0134 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.457050 celldm(2)= 1.000000 celldm(3)= 2.019221 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.027667 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.027667 0.999617 0.000000 ) a(3) = ( 0.000000 0.000000 2.019221 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.027678 -0.000000 ) b(2) = ( 0.000000 1.000383 -0.000000 ) b(3) = ( 0.000000 0.000000 0.495240 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5138335 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4998086 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.0096106 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5138335 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4998086 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0096106 ) 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= 536 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0064018 0.0065815 -0.0000000), wk = 0.0018657 k( 3) = ( 0.0128037 0.0131629 -0.0000000), wk = 0.0018657 k( 4) = ( 0.0192055 0.0197444 -0.0000000), wk = 0.0018657 k( 5) = ( 0.0256073 0.0263259 -0.0000000), wk = 0.0018657 k( 6) = ( 0.0320091 0.0329073 -0.0000000), wk = 0.0018657 k( 7) = ( 0.0384110 0.0394888 -0.0000000), wk = 0.0018657 k( 8) = ( 0.0448128 0.0460703 -0.0000000), wk = 0.0018657 k( 9) = ( 0.0512146 0.0526517 -0.0000000), wk = 0.0018657 k( 10) = ( 0.0576164 0.0592332 -0.0000000), wk = 0.0018657 k( 11) = ( 0.0640183 0.0658147 -0.0000000), wk = 0.0018657 k( 12) = ( 0.0704201 0.0723961 -0.0000000), wk = 0.0018657 k( 13) = ( 0.0768219 0.0789776 -0.0000000), wk = 0.0018657 k( 14) = ( 0.0832238 0.0855591 -0.0000000), wk = 0.0018657 k( 15) = ( 0.0896256 0.0921405 -0.0000000), wk = 0.0018657 k( 16) = ( 0.0960274 0.0987220 -0.0000000), wk = 0.0018657 k( 17) = ( 0.1024292 0.1053035 -0.0000000), wk = 0.0018657 k( 18) = ( 0.1088311 0.1118849 -0.0000000), wk = 0.0018657 k( 19) = ( 0.1152329 0.1184664 -0.0000000), wk = 0.0018657 k( 20) = ( 0.1216347 0.1250479 -0.0000000), wk = 0.0018657 k( 21) = ( 0.1280365 0.1316293 -0.0000000), wk = 0.0018657 k( 22) = ( 0.1344384 0.1382108 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1408402 0.1447923 -0.0000000), wk = 0.0018657 k( 24) = ( 0.1472420 0.1513737 -0.0000000), wk = 0.0018657 k( 25) = ( 0.1536439 0.1579552 -0.0000000), wk = 0.0018657 k( 26) = ( 0.1600457 0.1645367 -0.0000000), wk = 0.0018657 k( 27) = ( 0.1664475 0.1711181 -0.0000000), wk = 0.0018657 k( 28) = ( 0.1728494 0.1776996 -0.0000000), wk = 0.0018657 k( 29) = ( 0.1792512 0.1842811 -0.0000000), wk = 0.0018657 k( 30) = ( 0.1856530 0.1908625 -0.0000000), wk = 0.0018657 k( 31) = ( 0.1920548 0.1974440 -0.0000000), wk = 0.0018657 k( 32) = ( 0.1984567 0.2040255 -0.0000000), wk = 0.0018657 k( 33) = ( 0.2048585 0.2106069 -0.0000000), wk = 0.0018657 k( 34) = ( 0.2112603 0.2171884 -0.0000000), wk = 0.0018657 k( 35) = ( 0.2176621 0.2237699 -0.0000000), wk = 0.0018657 k( 36) = ( 0.2240640 0.2303513 -0.0000000), wk = 0.0018657 k( 37) = ( 0.2304658 0.2369328 -0.0000000), wk = 0.0018657 k( 38) = ( 0.2368676 0.2435143 -0.0000000), wk = 0.0018657 k( 39) = ( 0.2432694 0.2500957 -0.0000000), wk = 0.0018657 k( 40) = ( 0.2496713 0.2566772 -0.0000000), wk = 0.0018657 k( 41) = ( 0.2560731 0.2632587 -0.0000000), wk = 0.0018657 k( 42) = ( 0.2624749 0.2698401 -0.0000000), wk = 0.0018657 k( 43) = ( 0.2688768 0.2764216 -0.0000000), wk = 0.0018657 k( 44) = ( 0.2752786 0.2830031 -0.0000000), wk = 0.0018657 k( 45) = ( 0.2816804 0.2895845 -0.0000000), wk = 0.0018657 k( 46) = ( 0.2880822 0.2961660 -0.0000000), wk = 0.0018657 k( 47) = ( 0.2944841 0.3027475 -0.0000000), wk = 0.0018657 k( 48) = ( 0.3008859 0.3093289 -0.0000000), wk = 0.0018657 k( 49) = ( 0.3072877 0.3159104 -0.0000000), wk = 0.0018657 k( 50) = ( 0.3136896 0.3224919 -0.0000000), wk = 0.0018657 k( 51) = ( 0.3200914 0.3290733 -0.0000000), wk = 0.0018657 k( 52) = ( 0.3264932 0.3356548 -0.0000000), wk = 0.0018657 k( 53) = ( 0.3328950 0.3422363 -0.0000000), wk = 0.0018657 k( 54) = ( 0.3392969 0.3488177 -0.0000000), wk = 0.0018657 k( 55) = ( 0.3456987 0.3553992 -0.0000000), wk = 0.0018657 k( 56) = ( 0.3521005 0.3619807 -0.0000000), wk = 0.0018657 k( 57) = ( 0.3585024 0.3685621 -0.0000000), wk = 0.0018657 k( 58) = ( 0.3649042 0.3751436 -0.0000000), wk = 0.0018657 k( 59) = ( 0.3713060 0.3817251 -0.0000000), wk = 0.0018657 k( 60) = ( 0.3777078 0.3883065 -0.0000000), wk = 0.0018657 k( 61) = ( 0.3841097 0.3948880 -0.0000000), wk = 0.0018657 k( 62) = ( 0.3905115 0.4014695 -0.0000000), wk = 0.0018657 k( 63) = ( 0.3969133 0.4080509 -0.0000000), wk = 0.0018657 k( 64) = ( 0.4033152 0.4146324 -0.0000000), wk = 0.0018657 k( 65) = ( 0.4097170 0.4212139 -0.0000000), wk = 0.0018657 k( 66) = ( 0.4161188 0.4277953 -0.0000000), wk = 0.0018657 k( 67) = ( 0.4225206 0.4343768 -0.0000000), wk = 0.0018657 k( 68) = ( 0.4289225 0.4409583 -0.0000000), wk = 0.0018657 k( 69) = ( 0.4353243 0.4475397 -0.0000000), wk = 0.0018657 k( 70) = ( 0.4417261 0.4541212 -0.0000000), wk = 0.0018657 k( 71) = ( 0.4481279 0.4607027 -0.0000000), wk = 0.0018657 k( 72) = ( 0.4545298 0.4672841 -0.0000000), wk = 0.0018657 k( 73) = ( 0.4609316 0.4738656 -0.0000000), wk = 0.0018657 k( 74) = ( 0.4673334 0.4804471 -0.0000000), wk = 0.0018657 k( 75) = ( 0.4737352 0.4870285 -0.0000000), wk = 0.0018657 k( 76) = ( 0.4801371 0.4936100 -0.0000000), wk = 0.0018657 k( 77) = ( 0.4865389 0.5001915 -0.0000000), wk = 0.0018657 k( 78) = ( 0.4865389 0.5001915 -0.0000000), wk = 0.0018657 k( 79) = ( 0.4773589 0.5001915 -0.0000000), wk = 0.0018657 k( 80) = ( 0.4681789 0.5001915 -0.0000000), wk = 0.0018657 k( 81) = ( 0.4589990 0.5001915 -0.0000000), wk = 0.0018657 k( 82) = ( 0.4498190 0.5001915 -0.0000000), wk = 0.0018657 k( 83) = ( 0.4406390 0.5001915 -0.0000000), wk = 0.0018657 k( 84) = ( 0.4314590 0.5001915 -0.0000000), wk = 0.0018657 k( 85) = ( 0.4222790 0.5001915 -0.0000000), wk = 0.0018657 k( 86) = ( 0.4130991 0.5001915 -0.0000000), wk = 0.0018657 k( 87) = ( 0.4039191 0.5001915 -0.0000000), wk = 0.0018657 k( 88) = ( 0.3947391 0.5001915 -0.0000000), wk = 0.0018657 k( 89) = ( 0.3855591 0.5001915 -0.0000000), wk = 0.0018657 k( 90) = ( 0.3763791 0.5001915 -0.0000000), wk = 0.0018657 k( 91) = ( 0.3671992 0.5001915 -0.0000000), wk = 0.0018657 k( 92) = ( 0.3580192 0.5001915 -0.0000000), wk = 0.0018657 k( 93) = ( 0.3488392 0.5001915 -0.0000000), wk = 0.0018657 k( 94) = ( 0.3396592 0.5001915 -0.0000000), wk = 0.0018657 k( 95) = ( 0.3304793 0.5001915 -0.0000000), wk = 0.0018657 k( 96) = ( 0.3212993 0.5001915 -0.0000000), wk = 0.0018657 k( 97) = ( 0.3121193 0.5001915 -0.0000000), wk = 0.0018657 k( 98) = ( 0.3029393 0.5001915 -0.0000000), wk = 0.0018657 k( 99) = ( 0.2937593 0.5001915 -0.0000000), wk = 0.0018657 k( 100) = ( 0.2845794 0.5001915 -0.0000000), wk = 0.0018657 k( 101) = ( 0.2753994 0.5001915 -0.0000000), wk = 0.0018657 k( 102) = ( 0.2662194 0.5001915 -0.0000000), wk = 0.0018657 k( 103) = ( 0.2570394 0.5001915 -0.0000000), wk = 0.0018657 k( 104) = ( 0.2478594 0.5001915 -0.0000000), wk = 0.0018657 k( 105) = ( 0.2386795 0.5001915 -0.0000000), wk = 0.0018657 k( 106) = ( 0.2294995 0.5001915 -0.0000000), wk = 0.0018657 k( 107) = ( 0.2203195 0.5001915 -0.0000000), wk = 0.0018657 k( 108) = ( 0.2111395 0.5001915 -0.0000000), wk = 0.0018657 k( 109) = ( 0.2019595 0.5001915 -0.0000000), wk = 0.0018657 k( 110) = ( 0.1927796 0.5001915 -0.0000000), wk = 0.0018657 k( 111) = ( 0.1835996 0.5001915 -0.0000000), wk = 0.0018657 k( 112) = ( 0.1744196 0.5001915 -0.0000000), wk = 0.0018657 k( 113) = ( 0.1652396 0.5001915 -0.0000000), wk = 0.0018657 k( 114) = ( 0.1560596 0.5001915 -0.0000000), wk = 0.0018657 k( 115) = ( 0.1468797 0.5001915 -0.0000000), wk = 0.0018657 k( 116) = ( 0.1376997 0.5001915 -0.0000000), wk = 0.0018657 k( 117) = ( 0.1285197 0.5001915 -0.0000000), wk = 0.0018657 k( 118) = ( 0.1193397 0.5001915 -0.0000000), wk = 0.0018657 k( 119) = ( 0.1101598 0.5001915 -0.0000000), wk = 0.0018657 k( 120) = ( 0.1009798 0.5001915 -0.0000000), wk = 0.0018657 k( 121) = ( 0.0917998 0.5001915 -0.0000000), wk = 0.0018657 k( 122) = ( 0.0826198 0.5001915 -0.0000000), wk = 0.0018657 k( 123) = ( 0.0734398 0.5001915 -0.0000000), wk = 0.0018657 k( 124) = ( 0.0642599 0.5001915 -0.0000000), wk = 0.0018657 k( 125) = ( 0.0550799 0.5001915 -0.0000000), wk = 0.0018657 k( 126) = ( 0.0458999 0.5001915 -0.0000000), wk = 0.0018657 k( 127) = ( 0.0367199 0.5001915 -0.0000000), wk = 0.0018657 k( 128) = ( 0.0275399 0.5001915 -0.0000000), wk = 0.0018657 k( 129) = ( 0.0183600 0.5001915 -0.0000000), wk = 0.0018657 k( 130) = ( 0.0091800 0.5001915 -0.0000000), wk = 0.0018657 k( 131) = ( 0.0000000 0.5001915 -0.0000000), wk = 0.0018657 k( 132) = ( 0.0000000 0.5001915 -0.0000000), wk = 0.0018657 k( 133) = ( 0.0000000 0.5001915 0.0091711), wk = 0.0018657 k( 134) = ( 0.0000000 0.5001915 0.0183422), wk = 0.0018657 k( 135) = ( 0.0000000 0.5001915 0.0275134), wk = 0.0018657 k( 136) = ( 0.0000000 0.5001915 0.0366845), wk = 0.0018657 k( 137) = ( 0.0000000 0.5001915 0.0458556), wk = 0.0018657 k( 138) = ( 0.0000000 0.5001915 0.0550267), wk = 0.0018657 k( 139) = ( 0.0000000 0.5001915 0.0641978), wk = 0.0018657 k( 140) = ( 0.0000000 0.5001915 0.0733690), wk = 0.0018657 k( 141) = ( 0.0000000 0.5001915 0.0825401), wk = 0.0018657 k( 142) = ( 0.0000000 0.5001915 0.0917112), wk = 0.0018657 k( 143) = ( 0.0000000 0.5001915 0.1008823), wk = 0.0018657 k( 144) = ( 0.0000000 0.5001915 0.1100534), wk = 0.0018657 k( 145) = ( 0.0000000 0.5001915 0.1192245), wk = 0.0018657 k( 146) = ( 0.0000000 0.5001915 0.1283957), wk = 0.0018657 k( 147) = ( 0.0000000 0.5001915 0.1375668), wk = 0.0018657 k( 148) = ( 0.0000000 0.5001915 0.1467379), wk = 0.0018657 k( 149) = ( 0.0000000 0.5001915 0.1559090), wk = 0.0018657 k( 150) = ( 0.0000000 0.5001915 0.1650801), wk = 0.0018657 k( 151) = ( 0.0000000 0.5001915 0.1742513), wk = 0.0018657 k( 152) = ( 0.0000000 0.5001915 0.1834224), wk = 0.0018657 k( 153) = ( 0.0000000 0.5001915 0.1925935), wk = 0.0018657 k( 154) = ( 0.0000000 0.5001915 0.2017646), wk = 0.0018657 k( 155) = ( 0.0000000 0.5001915 0.2109357), wk = 0.0018657 k( 156) = ( 0.0000000 0.5001915 0.2201069), wk = 0.0018657 k( 157) = ( 0.0000000 0.5001915 0.2292780), wk = 0.0018657 k( 158) = ( 0.0000000 0.5001915 0.2384491), wk = 0.0018657 k( 159) = ( 0.0000000 0.5001915 0.2476202), wk = 0.0018657 k( 160) = ( 0.0000000 0.5001915 0.2476202), wk = 0.0018657 k( 161) = ( 0.0091800 0.5001915 0.2476202), wk = 0.0018657 k( 162) = ( 0.0183600 0.5001915 0.2476202), wk = 0.0018657 k( 163) = ( 0.0275399 0.5001915 0.2476202), wk = 0.0018657 k( 164) = ( 0.0367199 0.5001915 0.2476202), wk = 0.0018657 k( 165) = ( 0.0458999 0.5001915 0.2476202), wk = 0.0018657 k( 166) = ( 0.0550799 0.5001915 0.2476202), wk = 0.0018657 k( 167) = ( 0.0642599 0.5001915 0.2476202), wk = 0.0018657 k( 168) = ( 0.0734398 0.5001915 0.2476202), wk = 0.0018657 k( 169) = ( 0.0826198 0.5001915 0.2476202), wk = 0.0018657 k( 170) = ( 0.0917998 0.5001915 0.2476202), wk = 0.0018657 k( 171) = ( 0.1009798 0.5001915 0.2476202), wk = 0.0018657 k( 172) = ( 0.1101598 0.5001915 0.2476202), wk = 0.0018657 k( 173) = ( 0.1193397 0.5001915 0.2476202), wk = 0.0018657 k( 174) = ( 0.1285197 0.5001915 0.2476202), wk = 0.0018657 k( 175) = ( 0.1376997 0.5001915 0.2476202), wk = 0.0018657 k( 176) = ( 0.1468797 0.5001915 0.2476202), wk = 0.0018657 k( 177) = ( 0.1560596 0.5001915 0.2476202), wk = 0.0018657 k( 178) = ( 0.1652396 0.5001915 0.2476202), wk = 0.0018657 k( 179) = ( 0.1744196 0.5001915 0.2476202), wk = 0.0018657 k( 180) = ( 0.1835996 0.5001915 0.2476202), wk = 0.0018657 k( 181) = ( 0.1927796 0.5001915 0.2476202), wk = 0.0018657 k( 182) = ( 0.2019595 0.5001915 0.2476202), wk = 0.0018657 k( 183) = ( 0.2111395 0.5001915 0.2476202), wk = 0.0018657 k( 184) = ( 0.2203195 0.5001915 0.2476202), wk = 0.0018657 k( 185) = ( 0.2294995 0.5001915 0.2476202), wk = 0.0018657 k( 186) = ( 0.2386795 0.5001915 0.2476202), wk = 0.0018657 k( 187) = ( 0.2478594 0.5001915 0.2476202), wk = 0.0018657 k( 188) = ( 0.2570394 0.5001915 0.2476202), wk = 0.0018657 k( 189) = ( 0.2662194 0.5001915 0.2476202), wk = 0.0018657 k( 190) = ( 0.2753994 0.5001915 0.2476202), wk = 0.0018657 k( 191) = ( 0.2845794 0.5001915 0.2476202), wk = 0.0018657 k( 192) = ( 0.2937593 0.5001915 0.2476202), wk = 0.0018657 k( 193) = ( 0.3029393 0.5001915 0.2476202), wk = 0.0018657 k( 194) = ( 0.3121193 0.5001915 0.2476202), wk = 0.0018657 k( 195) = ( 0.3212993 0.5001915 0.2476202), wk = 0.0018657 k( 196) = ( 0.3304793 0.5001915 0.2476202), wk = 0.0018657 k( 197) = ( 0.3396592 0.5001915 0.2476202), wk = 0.0018657 k( 198) = ( 0.3488392 0.5001915 0.2476202), wk = 0.0018657 k( 199) = ( 0.3580192 0.5001915 0.2476202), wk = 0.0018657 k( 200) = ( 0.3671992 0.5001915 0.2476202), wk = 0.0018657 k( 201) = ( 0.3763791 0.5001915 0.2476202), wk = 0.0018657 k( 202) = ( 0.3855591 0.5001915 0.2476202), wk = 0.0018657 k( 203) = ( 0.3947391 0.5001915 0.2476202), wk = 0.0018657 k( 204) = ( 0.4039191 0.5001915 0.2476202), wk = 0.0018657 k( 205) = ( 0.4130991 0.5001915 0.2476202), wk = 0.0018657 k( 206) = ( 0.4222790 0.5001915 0.2476202), wk = 0.0018657 k( 207) = ( 0.4314590 0.5001915 0.2476202), wk = 0.0018657 k( 208) = ( 0.4406390 0.5001915 0.2476202), wk = 0.0018657 k( 209) = ( 0.4498190 0.5001915 0.2476202), wk = 0.0018657 k( 210) = ( 0.4589990 0.5001915 0.2476202), wk = 0.0018657 k( 211) = ( 0.4681789 0.5001915 0.2476202), wk = 0.0018657 k( 212) = ( 0.4773589 0.5001915 0.2476202), wk = 0.0018657 k( 213) = ( 0.4865389 0.5001915 0.2476202), wk = 0.0018657 k( 214) = ( 0.4865389 0.5001915 0.2476202), wk = 0.0018657 k( 215) = ( 0.4801371 0.4936100 0.2476202), wk = 0.0018657 k( 216) = ( 0.4737352 0.4870285 0.2476202), wk = 0.0018657 k( 217) = ( 0.4673334 0.4804471 0.2476202), wk = 0.0018657 k( 218) = ( 0.4609316 0.4738656 0.2476202), wk = 0.0018657 k( 219) = ( 0.4545298 0.4672841 0.2476202), wk = 0.0018657 k( 220) = ( 0.4481279 0.4607027 0.2476202), wk = 0.0018657 k( 221) = ( 0.4417261 0.4541212 0.2476202), wk = 0.0018657 k( 222) = ( 0.4353243 0.4475397 0.2476202), wk = 0.0018657 k( 223) = ( 0.4289225 0.4409583 0.2476202), wk = 0.0018657 k( 224) = ( 0.4225206 0.4343768 0.2476202), wk = 0.0018657 k( 225) = ( 0.4161188 0.4277953 0.2476202), wk = 0.0018657 k( 226) = ( 0.4097170 0.4212139 0.2476202), wk = 0.0018657 k( 227) = ( 0.4033152 0.4146324 0.2476202), wk = 0.0018657 k( 228) = ( 0.3969133 0.4080509 0.2476202), wk = 0.0018657 k( 229) = ( 0.3905115 0.4014695 0.2476202), wk = 0.0018657 k( 230) = ( 0.3841097 0.3948880 0.2476202), wk = 0.0018657 k( 231) = ( 0.3777078 0.3883065 0.2476202), wk = 0.0018657 k( 232) = ( 0.3713060 0.3817251 0.2476202), wk = 0.0018657 k( 233) = ( 0.3649042 0.3751436 0.2476202), wk = 0.0018657 k( 234) = ( 0.3585024 0.3685621 0.2476202), wk = 0.0018657 k( 235) = ( 0.3521005 0.3619807 0.2476202), wk = 0.0018657 k( 236) = ( 0.3456987 0.3553992 0.2476202), wk = 0.0018657 k( 237) = ( 0.3392969 0.3488177 0.2476202), wk = 0.0018657 k( 238) = ( 0.3328950 0.3422363 0.2476202), wk = 0.0018657 k( 239) = ( 0.3264932 0.3356548 0.2476202), wk = 0.0018657 k( 240) = ( 0.3200914 0.3290733 0.2476202), wk = 0.0018657 k( 241) = ( 0.3136896 0.3224919 0.2476202), wk = 0.0018657 k( 242) = ( 0.3072877 0.3159104 0.2476202), wk = 0.0018657 k( 243) = ( 0.3008859 0.3093289 0.2476202), wk = 0.0018657 k( 244) = ( 0.2944841 0.3027475 0.2476202), wk = 0.0018657 k( 245) = ( 0.2880822 0.2961660 0.2476202), wk = 0.0018657 k( 246) = ( 0.2816804 0.2895845 0.2476202), wk = 0.0018657 k( 247) = ( 0.2752786 0.2830031 0.2476202), wk = 0.0018657 k( 248) = ( 0.2688768 0.2764216 0.2476202), wk = 0.0018657 k( 249) = ( 0.2624749 0.2698401 0.2476202), wk = 0.0018657 k( 250) = ( 0.2560731 0.2632587 0.2476202), wk = 0.0018657 k( 251) = ( 0.2496713 0.2566772 0.2476202), wk = 0.0018657 k( 252) = ( 0.2432694 0.2500957 0.2476202), wk = 0.0018657 k( 253) = ( 0.2368676 0.2435143 0.2476202), wk = 0.0018657 k( 254) = ( 0.2304658 0.2369328 0.2476202), wk = 0.0018657 k( 255) = ( 0.2240640 0.2303513 0.2476202), wk = 0.0018657 k( 256) = ( 0.2176621 0.2237699 0.2476202), wk = 0.0018657 k( 257) = ( 0.2112603 0.2171884 0.2476202), wk = 0.0018657 k( 258) = ( 0.2048585 0.2106069 0.2476202), wk = 0.0018657 k( 259) = ( 0.1984567 0.2040255 0.2476202), wk = 0.0018657 k( 260) = ( 0.1920548 0.1974440 0.2476202), wk = 0.0018657 k( 261) = ( 0.1856530 0.1908625 0.2476202), wk = 0.0018657 k( 262) = ( 0.1792512 0.1842811 0.2476202), wk = 0.0018657 k( 263) = ( 0.1728494 0.1776996 0.2476202), wk = 0.0018657 k( 264) = ( 0.1664475 0.1711181 0.2476202), wk = 0.0018657 k( 265) = ( 0.1600457 0.1645367 0.2476202), wk = 0.0018657 k( 266) = ( 0.1536439 0.1579552 0.2476202), wk = 0.0018657 k( 267) = ( 0.1472420 0.1513737 0.2476202), wk = 0.0018657 k( 268) = ( 0.1408402 0.1447923 0.2476202), wk = 0.0018657 k( 269) = ( 0.1344384 0.1382108 0.2476202), wk = 0.0018657 k( 270) = ( 0.1280365 0.1316293 0.2476202), wk = 0.0018657 k( 271) = ( 0.1216347 0.1250479 0.2476202), wk = 0.0018657 k( 272) = ( 0.1152329 0.1184664 0.2476202), wk = 0.0018657 k( 273) = ( 0.1088311 0.1118849 0.2476202), wk = 0.0018657 k( 274) = ( 0.1024292 0.1053035 0.2476202), wk = 0.0018657 k( 275) = ( 0.0960274 0.0987220 0.2476202), wk = 0.0018657 k( 276) = ( 0.0896256 0.0921405 0.2476202), wk = 0.0018657 k( 277) = ( 0.0832238 0.0855591 0.2476202), wk = 0.0018657 k( 278) = ( 0.0768219 0.0789776 0.2476202), wk = 0.0018657 k( 279) = ( 0.0704201 0.0723961 0.2476202), wk = 0.0018657 k( 280) = ( 0.0640183 0.0658147 0.2476202), wk = 0.0018657 k( 281) = ( 0.0576164 0.0592332 0.2476202), wk = 0.0018657 k( 282) = ( 0.0512146 0.0526517 0.2476202), wk = 0.0018657 k( 283) = ( 0.0448128 0.0460703 0.2476202), wk = 0.0018657 k( 284) = ( 0.0384110 0.0394888 0.2476202), wk = 0.0018657 k( 285) = ( 0.0320091 0.0329073 0.2476202), wk = 0.0018657 k( 286) = ( 0.0256073 0.0263259 0.2476202), wk = 0.0018657 k( 287) = ( 0.0192055 0.0197444 0.2476202), wk = 0.0018657 k( 288) = ( 0.0128037 0.0131629 0.2476202), wk = 0.0018657 k( 289) = ( 0.0064018 0.0065815 0.2476202), wk = 0.0018657 k( 290) = ( 0.0000000 0.0000000 0.2476202), wk = 0.0018657 k( 291) = ( 0.0000000 0.0000000 0.2476202), wk = 0.0018657 k( 292) = ( 0.0000000 0.0000000 0.2384491), wk = 0.0018657 k( 293) = ( 0.0000000 0.0000000 0.2292780), wk = 0.0018657 k( 294) = ( 0.0000000 0.0000000 0.2201069), wk = 0.0018657 k( 295) = ( 0.0000000 0.0000000 0.2109357), wk = 0.0018657 k( 296) = ( 0.0000000 0.0000000 0.2017646), wk = 0.0018657 k( 297) = ( 0.0000000 0.0000000 0.1925935), wk = 0.0018657 k( 298) = ( 0.0000000 0.0000000 0.1834224), wk = 0.0018657 k( 299) = ( 0.0000000 0.0000000 0.1742513), wk = 0.0018657 k( 300) = ( 0.0000000 0.0000000 0.1650801), wk = 0.0018657 k( 301) = ( 0.0000000 0.0000000 0.1559090), wk = 0.0018657 k( 302) = ( 0.0000000 0.0000000 0.1467379), wk = 0.0018657 k( 303) = ( 0.0000000 0.0000000 0.1375668), wk = 0.0018657 k( 304) = ( 0.0000000 0.0000000 0.1283957), wk = 0.0018657 k( 305) = ( 0.0000000 0.0000000 0.1192245), wk = 0.0018657 k( 306) = ( 0.0000000 0.0000000 0.1100534), wk = 0.0018657 k( 307) = ( 0.0000000 0.0000000 0.1008823), wk = 0.0018657 k( 308) = ( 0.0000000 0.0000000 0.0917112), wk = 0.0018657 k( 309) = ( 0.0000000 0.0000000 0.0825401), wk = 0.0018657 k( 310) = ( 0.0000000 0.0000000 0.0733690), wk = 0.0018657 k( 311) = ( 0.0000000 0.0000000 0.0641978), wk = 0.0018657 k( 312) = ( 0.0000000 0.0000000 0.0550267), wk = 0.0018657 k( 313) = ( 0.0000000 0.0000000 0.0458556), wk = 0.0018657 k( 314) = ( 0.0000000 0.0000000 0.0366845), wk = 0.0018657 k( 315) = ( 0.0000000 0.0000000 0.0275134), wk = 0.0018657 k( 316) = ( 0.0000000 0.0000000 0.0183422), wk = 0.0018657 k( 317) = ( 0.0000000 0.0000000 0.0091711), wk = 0.0018657 k( 318) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 319) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 320) = ( -0.0065790 0.0063994 -0.0000000), wk = 0.0018657 k( 321) = ( -0.0131579 0.0127987 -0.0000000), wk = 0.0018657 k( 322) = ( -0.0197368 0.0191981 -0.0000000), wk = 0.0018657 k( 323) = ( -0.0263158 0.0255975 -0.0000000), wk = 0.0018657 k( 324) = ( -0.0328947 0.0319969 -0.0000000), wk = 0.0018657 k( 325) = ( -0.0394737 0.0383963 -0.0000000), wk = 0.0018657 k( 326) = ( -0.0460526 0.0447956 -0.0000000), wk = 0.0018657 k( 327) = ( -0.0526316 0.0511950 -0.0000000), wk = 0.0018657 k( 328) = ( -0.0592105 0.0575944 -0.0000000), wk = 0.0018657 k( 329) = ( -0.0657895 0.0639938 -0.0000000), wk = 0.0018657 k( 330) = ( -0.0723684 0.0703931 -0.0000000), wk = 0.0018657 k( 331) = ( -0.0789474 0.0767925 -0.0000000), wk = 0.0018657 k( 332) = ( -0.0855263 0.0831919 -0.0000000), wk = 0.0018657 k( 333) = ( -0.0921053 0.0895913 -0.0000000), wk = 0.0018657 k( 334) = ( -0.0986842 0.0959907 -0.0000000), wk = 0.0018657 k( 335) = ( -0.1052632 0.1023900 -0.0000000), wk = 0.0018657 k( 336) = ( -0.1118421 0.1087894 -0.0000000), wk = 0.0018657 k( 337) = ( -0.1184210 0.1151888 -0.0000000), wk = 0.0018657 k( 338) = ( -0.1250000 0.1215882 -0.0000000), wk = 0.0018657 k( 339) = ( -0.1315790 0.1279875 -0.0000000), wk = 0.0018657 k( 340) = ( -0.1381579 0.1343869 -0.0000000), wk = 0.0018657 k( 341) = ( -0.1447368 0.1407863 -0.0000000), wk = 0.0018657 k( 342) = ( -0.1513158 0.1471857 -0.0000000), wk = 0.0018657 k( 343) = ( -0.1578947 0.1535851 -0.0000000), wk = 0.0018657 k( 344) = ( -0.1644737 0.1599844 -0.0000000), wk = 0.0018657 k( 345) = ( -0.1710526 0.1663838 -0.0000000), wk = 0.0018657 k( 346) = ( -0.1776316 0.1727832 -0.0000000), wk = 0.0018657 k( 347) = ( -0.1842105 0.1791826 -0.0000000), wk = 0.0018657 k( 348) = ( -0.1907895 0.1855819 -0.0000000), wk = 0.0018657 k( 349) = ( -0.1973684 0.1919813 -0.0000000), wk = 0.0018657 k( 350) = ( -0.2039474 0.1983807 -0.0000000), wk = 0.0018657 k( 351) = ( -0.2105263 0.2047801 -0.0000000), wk = 0.0018657 k( 352) = ( -0.2171053 0.2111794 -0.0000000), wk = 0.0018657 k( 353) = ( -0.2236842 0.2175788 -0.0000000), wk = 0.0018657 k( 354) = ( -0.2302632 0.2239782 -0.0000000), wk = 0.0018657 k( 355) = ( -0.2368421 0.2303776 -0.0000000), wk = 0.0018657 k( 356) = ( -0.2434210 0.2367769 -0.0000000), wk = 0.0018657 k( 357) = ( -0.2500000 0.2431763 -0.0000000), wk = 0.0018657 k( 358) = ( -0.2565789 0.2495757 -0.0000000), wk = 0.0018657 k( 359) = ( -0.2631579 0.2559751 -0.0000000), wk = 0.0018657 k( 360) = ( -0.2697368 0.2623745 -0.0000000), wk = 0.0018657 k( 361) = ( -0.2763158 0.2687738 -0.0000000), wk = 0.0018657 k( 362) = ( -0.2828947 0.2751732 -0.0000000), wk = 0.0018657 k( 363) = ( -0.2894737 0.2815726 -0.0000000), wk = 0.0018657 k( 364) = ( -0.2960526 0.2879720 -0.0000000), wk = 0.0018657 k( 365) = ( -0.3026316 0.2943713 -0.0000000), wk = 0.0018657 k( 366) = ( -0.3092105 0.3007707 -0.0000000), wk = 0.0018657 k( 367) = ( -0.3157895 0.3071701 -0.0000000), wk = 0.0018657 k( 368) = ( -0.3223684 0.3135695 -0.0000000), wk = 0.0018657 k( 369) = ( -0.3289474 0.3199689 -0.0000000), wk = 0.0018657 k( 370) = ( -0.3355263 0.3263682 -0.0000000), wk = 0.0018657 k( 371) = ( -0.3421053 0.3327676 -0.0000000), wk = 0.0018657 k( 372) = ( -0.3486842 0.3391670 -0.0000000), wk = 0.0018657 k( 373) = ( -0.3552632 0.3455664 -0.0000000), wk = 0.0018657 k( 374) = ( -0.3618421 0.3519657 -0.0000000), wk = 0.0018657 k( 375) = ( -0.3684211 0.3583651 -0.0000000), wk = 0.0018657 k( 376) = ( -0.3750000 0.3647645 -0.0000000), wk = 0.0018657 k( 377) = ( -0.3815789 0.3711639 -0.0000000), wk = 0.0018657 k( 378) = ( -0.3881579 0.3775632 -0.0000000), wk = 0.0018657 k( 379) = ( -0.3947368 0.3839626 -0.0000000), wk = 0.0018657 k( 380) = ( -0.4013158 0.3903620 -0.0000000), wk = 0.0018657 k( 381) = ( -0.4078947 0.3967614 -0.0000000), wk = 0.0018657 k( 382) = ( -0.4144737 0.4031608 -0.0000000), wk = 0.0018657 k( 383) = ( -0.4210526 0.4095601 -0.0000000), wk = 0.0018657 k( 384) = ( -0.4276316 0.4159595 -0.0000000), wk = 0.0018657 k( 385) = ( -0.4342105 0.4223589 -0.0000000), wk = 0.0018657 k( 386) = ( -0.4407895 0.4287583 -0.0000000), wk = 0.0018657 k( 387) = ( -0.4473684 0.4351576 -0.0000000), wk = 0.0018657 k( 388) = ( -0.4539474 0.4415570 -0.0000000), wk = 0.0018657 k( 389) = ( -0.4605263 0.4479564 -0.0000000), wk = 0.0018657 k( 390) = ( -0.4671053 0.4543558 -0.0000000), wk = 0.0018657 k( 391) = ( -0.4736842 0.4607551 -0.0000000), wk = 0.0018657 k( 392) = ( -0.4802632 0.4671545 -0.0000000), wk = 0.0018657 k( 393) = ( -0.4868421 0.4735539 -0.0000000), wk = 0.0018657 k( 394) = ( -0.4934211 0.4799533 -0.0000000), wk = 0.0018657 k( 395) = ( -0.5000000 0.4863527 -0.0000000), wk = 0.0018657 k( 396) = ( -0.5000000 0.4863527 -0.0000000), wk = 0.0018657 k( 397) = ( -0.4955130 0.4909656 -0.0000000), wk = 0.0018657 k( 398) = ( -0.4910259 0.4955785 -0.0000000), wk = 0.0018657 k( 399) = ( -0.4865389 0.5001915 -0.0000000), wk = 0.0018657 k( 400) = ( -0.4865389 0.5001915 -0.0000000), wk = 0.0018657 k( 401) = ( -0.4865389 0.5001915 0.0091711), wk = 0.0018657 k( 402) = ( -0.4865389 0.5001915 0.0183422), wk = 0.0018657 k( 403) = ( -0.4865389 0.5001915 0.0275134), wk = 0.0018657 k( 404) = ( -0.4865389 0.5001915 0.0366845), wk = 0.0018657 k( 405) = ( -0.4865389 0.5001915 0.0458556), wk = 0.0018657 k( 406) = ( -0.4865389 0.5001915 0.0550267), wk = 0.0018657 k( 407) = ( -0.4865389 0.5001915 0.0641978), wk = 0.0018657 k( 408) = ( -0.4865389 0.5001915 0.0733690), wk = 0.0018657 k( 409) = ( -0.4865389 0.5001915 0.0825401), wk = 0.0018657 k( 410) = ( -0.4865389 0.5001915 0.0917112), wk = 0.0018657 k( 411) = ( -0.4865389 0.5001915 0.1008823), wk = 0.0018657 k( 412) = ( -0.4865389 0.5001915 0.1100534), wk = 0.0018657 k( 413) = ( -0.4865389 0.5001915 0.1192245), wk = 0.0018657 k( 414) = ( -0.4865389 0.5001915 0.1283957), wk = 0.0018657 k( 415) = ( -0.4865389 0.5001915 0.1375668), wk = 0.0018657 k( 416) = ( -0.4865389 0.5001915 0.1467379), wk = 0.0018657 k( 417) = ( -0.4865389 0.5001915 0.1559090), wk = 0.0018657 k( 418) = ( -0.4865389 0.5001915 0.1650801), wk = 0.0018657 k( 419) = ( -0.4865389 0.5001915 0.1742513), wk = 0.0018657 k( 420) = ( -0.4865389 0.5001915 0.1834224), wk = 0.0018657 k( 421) = ( -0.4865389 0.5001915 0.1925935), wk = 0.0018657 k( 422) = ( -0.4865389 0.5001915 0.2017646), wk = 0.0018657 k( 423) = ( -0.4865389 0.5001915 0.2109357), wk = 0.0018657 k( 424) = ( -0.4865389 0.5001915 0.2201069), wk = 0.0018657 k( 425) = ( -0.4865389 0.5001915 0.2292780), wk = 0.0018657 k( 426) = ( -0.4865389 0.5001915 0.2384491), wk = 0.0018657 k( 427) = ( -0.4865389 0.5001915 0.2476202), wk = 0.0018657 k( 428) = ( -0.4865389 0.5001915 0.2476202), wk = 0.0018657 k( 429) = ( -0.4910259 0.4955785 0.2476202), wk = 0.0018657 k( 430) = ( -0.4955130 0.4909656 0.2476202), wk = 0.0018657 k( 431) = ( -0.5000000 0.4863527 0.2476202), wk = 0.0018657 k( 432) = ( -0.5000000 0.4863527 0.2476202), wk = 0.0018657 k( 433) = ( -0.5000000 0.4863527 0.2384491), wk = 0.0018657 k( 434) = ( -0.5000000 0.4863527 0.2292780), wk = 0.0018657 k( 435) = ( -0.5000000 0.4863527 0.2201069), wk = 0.0018657 k( 436) = ( -0.5000000 0.4863527 0.2109357), wk = 0.0018657 k( 437) = ( -0.5000000 0.4863527 0.2017646), wk = 0.0018657 k( 438) = ( -0.5000000 0.4863527 0.1925935), wk = 0.0018657 k( 439) = ( -0.5000000 0.4863527 0.1834224), wk = 0.0018657 k( 440) = ( -0.5000000 0.4863527 0.1742513), wk = 0.0018657 k( 441) = ( -0.5000000 0.4863527 0.1650801), wk = 0.0018657 k( 442) = ( -0.5000000 0.4863527 0.1559090), wk = 0.0018657 k( 443) = ( -0.5000000 0.4863527 0.1467379), wk = 0.0018657 k( 444) = ( -0.5000000 0.4863527 0.1375668), wk = 0.0018657 k( 445) = ( -0.5000000 0.4863527 0.1283957), wk = 0.0018657 k( 446) = ( -0.5000000 0.4863527 0.1192245), wk = 0.0018657 k( 447) = ( -0.5000000 0.4863527 0.1100534), wk = 0.0018657 k( 448) = ( -0.5000000 0.4863527 0.1008823), wk = 0.0018657 k( 449) = ( -0.5000000 0.4863527 0.0917112), wk = 0.0018657 k( 450) = ( -0.5000000 0.4863527 0.0825401), wk = 0.0018657 k( 451) = ( -0.5000000 0.4863527 0.0733690), wk = 0.0018657 k( 452) = ( -0.5000000 0.4863527 0.0641978), wk = 0.0018657 k( 453) = ( -0.5000000 0.4863527 0.0550267), wk = 0.0018657 k( 454) = ( -0.5000000 0.4863527 0.0458556), wk = 0.0018657 k( 455) = ( -0.5000000 0.4863527 0.0366845), wk = 0.0018657 k( 456) = ( -0.5000000 0.4863527 0.0275134), wk = 0.0018657 k( 457) = ( -0.5000000 0.4863527 0.0183422), wk = 0.0018657 k( 458) = ( -0.5000000 0.4863527 0.0091711), wk = 0.0018657 k( 459) = ( -0.5000000 0.4863527 -0.0000000), wk = 0.0018657 k( 460) = ( 0.0000000 0.0000000 0.2476202), wk = 0.0018657 k( 461) = ( -0.0065790 0.0063994 0.2476202), wk = 0.0018657 k( 462) = ( -0.0131579 0.0127987 0.2476202), wk = 0.0018657 k( 463) = ( -0.0197368 0.0191981 0.2476202), wk = 0.0018657 k( 464) = ( -0.0263158 0.0255975 0.2476202), wk = 0.0018657 k( 465) = ( -0.0328947 0.0319969 0.2476202), wk = 0.0018657 k( 466) = ( -0.0394737 0.0383963 0.2476202), wk = 0.0018657 k( 467) = ( -0.0460526 0.0447956 0.2476202), wk = 0.0018657 k( 468) = ( -0.0526316 0.0511950 0.2476202), wk = 0.0018657 k( 469) = ( -0.0592105 0.0575944 0.2476202), wk = 0.0018657 k( 470) = ( -0.0657895 0.0639938 0.2476202), wk = 0.0018657 k( 471) = ( -0.0723684 0.0703931 0.2476202), wk = 0.0018657 k( 472) = ( -0.0789474 0.0767925 0.2476202), wk = 0.0018657 k( 473) = ( -0.0855263 0.0831919 0.2476202), wk = 0.0018657 k( 474) = ( -0.0921053 0.0895913 0.2476202), wk = 0.0018657 k( 475) = ( -0.0986842 0.0959907 0.2476202), wk = 0.0018657 k( 476) = ( -0.1052632 0.1023900 0.2476202), wk = 0.0018657 k( 477) = ( -0.1118421 0.1087894 0.2476202), wk = 0.0018657 k( 478) = ( -0.1184210 0.1151888 0.2476202), wk = 0.0018657 k( 479) = ( -0.1250000 0.1215882 0.2476202), wk = 0.0018657 k( 480) = ( -0.1315790 0.1279875 0.2476202), wk = 0.0018657 k( 481) = ( -0.1381579 0.1343869 0.2476202), wk = 0.0018657 k( 482) = ( -0.1447368 0.1407863 0.2476202), wk = 0.0018657 k( 483) = ( -0.1513158 0.1471857 0.2476202), wk = 0.0018657 k( 484) = ( -0.1578947 0.1535851 0.2476202), wk = 0.0018657 k( 485) = ( -0.1644737 0.1599844 0.2476202), wk = 0.0018657 k( 486) = ( -0.1710526 0.1663838 0.2476202), wk = 0.0018657 k( 487) = ( -0.1776316 0.1727832 0.2476202), wk = 0.0018657 k( 488) = ( -0.1842105 0.1791826 0.2476202), wk = 0.0018657 k( 489) = ( -0.1907895 0.1855819 0.2476202), wk = 0.0018657 k( 490) = ( -0.1973684 0.1919813 0.2476202), wk = 0.0018657 k( 491) = ( -0.2039474 0.1983807 0.2476202), wk = 0.0018657 k( 492) = ( -0.2105263 0.2047801 0.2476202), wk = 0.0018657 k( 493) = ( -0.2171053 0.2111794 0.2476202), wk = 0.0018657 k( 494) = ( -0.2236842 0.2175788 0.2476202), wk = 0.0018657 k( 495) = ( -0.2302632 0.2239782 0.2476202), wk = 0.0018657 k( 496) = ( -0.2368421 0.2303776 0.2476202), wk = 0.0018657 k( 497) = ( -0.2434210 0.2367769 0.2476202), wk = 0.0018657 k( 498) = ( -0.2500000 0.2431763 0.2476202), wk = 0.0018657 k( 499) = ( -0.2565789 0.2495757 0.2476202), wk = 0.0018657 k( 500) = ( -0.2631579 0.2559751 0.2476202), wk = 0.0018657 k( 501) = ( -0.2697368 0.2623745 0.2476202), wk = 0.0018657 k( 502) = ( -0.2763158 0.2687738 0.2476202), wk = 0.0018657 k( 503) = ( -0.2828947 0.2751732 0.2476202), wk = 0.0018657 k( 504) = ( -0.2894737 0.2815726 0.2476202), wk = 0.0018657 k( 505) = ( -0.2960526 0.2879720 0.2476202), wk = 0.0018657 k( 506) = ( -0.3026316 0.2943713 0.2476202), wk = 0.0018657 k( 507) = ( -0.3092105 0.3007707 0.2476202), wk = 0.0018657 k( 508) = ( -0.3157895 0.3071701 0.2476202), wk = 0.0018657 k( 509) = ( -0.3223684 0.3135695 0.2476202), wk = 0.0018657 k( 510) = ( -0.3289474 0.3199689 0.2476202), wk = 0.0018657 k( 511) = ( -0.3355263 0.3263682 0.2476202), wk = 0.0018657 k( 512) = ( -0.3421053 0.3327676 0.2476202), wk = 0.0018657 k( 513) = ( -0.3486842 0.3391670 0.2476202), wk = 0.0018657 k( 514) = ( -0.3552632 0.3455664 0.2476202), wk = 0.0018657 k( 515) = ( -0.3618421 0.3519657 0.2476202), wk = 0.0018657 k( 516) = ( -0.3684211 0.3583651 0.2476202), wk = 0.0018657 k( 517) = ( -0.3750000 0.3647645 0.2476202), wk = 0.0018657 k( 518) = ( -0.3815789 0.3711639 0.2476202), wk = 0.0018657 k( 519) = ( -0.3881579 0.3775632 0.2476202), wk = 0.0018657 k( 520) = ( -0.3947368 0.3839626 0.2476202), wk = 0.0018657 k( 521) = ( -0.4013158 0.3903620 0.2476202), wk = 0.0018657 k( 522) = ( -0.4078947 0.3967614 0.2476202), wk = 0.0018657 k( 523) = ( -0.4144737 0.4031608 0.2476202), wk = 0.0018657 k( 524) = ( -0.4210526 0.4095601 0.2476202), wk = 0.0018657 k( 525) = ( -0.4276316 0.4159595 0.2476202), wk = 0.0018657 k( 526) = ( -0.4342105 0.4223589 0.2476202), wk = 0.0018657 k( 527) = ( -0.4407895 0.4287583 0.2476202), wk = 0.0018657 k( 528) = ( -0.4473684 0.4351576 0.2476202), wk = 0.0018657 k( 529) = ( -0.4539474 0.4415570 0.2476202), wk = 0.0018657 k( 530) = ( -0.4605263 0.4479564 0.2476202), wk = 0.0018657 k( 531) = ( -0.4671053 0.4543558 0.2476202), wk = 0.0018657 k( 532) = ( -0.4736842 0.4607551 0.2476202), wk = 0.0018657 k( 533) = ( -0.4802632 0.4671545 0.2476202), wk = 0.0018657 k( 534) = ( -0.4868421 0.4735539 0.2476202), wk = 0.0018657 k( 535) = ( -0.4934211 0.4799533 0.2476202), wk = 0.0018657 k( 536) = ( -0.5000000 0.4863527 0.2476202), wk = 0.0018657 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 2) = ( 0.0064018 0.0064018 -0.0000000), wk = 0.0018657 k( 3) = ( 0.0128037 0.0128037 -0.0000000), wk = 0.0018657 k( 4) = ( 0.0192055 0.0192055 -0.0000000), wk = 0.0018657 k( 5) = ( 0.0256073 0.0256073 -0.0000000), wk = 0.0018657 k( 6) = ( 0.0320091 0.0320091 0.0000000), wk = 0.0018657 k( 7) = ( 0.0384110 0.0384110 -0.0000000), wk = 0.0018657 k( 8) = ( 0.0448128 0.0448128 -0.0000000), wk = 0.0018657 k( 9) = ( 0.0512146 0.0512146 -0.0000000), wk = 0.0018657 k( 10) = ( 0.0576164 0.0576164 0.0000000), wk = 0.0018657 k( 11) = ( 0.0640183 0.0640183 0.0000000), wk = 0.0018657 k( 12) = ( 0.0704201 0.0704201 0.0000000), wk = 0.0018657 k( 13) = ( 0.0768219 0.0768219 -0.0000000), wk = 0.0018657 k( 14) = ( 0.0832238 0.0832238 -0.0000000), wk = 0.0018657 k( 15) = ( 0.0896256 0.0896256 -0.0000000), wk = 0.0018657 k( 16) = ( 0.0960274 0.0960274 -0.0000000), wk = 0.0018657 k( 17) = ( 0.1024292 0.1024292 -0.0000000), wk = 0.0018657 k( 18) = ( 0.1088311 0.1088311 -0.0000000), wk = 0.0018657 k( 19) = ( 0.1152329 0.1152329 0.0000000), wk = 0.0018657 k( 20) = ( 0.1216347 0.1216347 0.0000000), wk = 0.0018657 k( 21) = ( 0.1280365 0.1280366 0.0000000), wk = 0.0018657 k( 22) = ( 0.1344384 0.1344384 -0.0000000), wk = 0.0018657 k( 23) = ( 0.1408402 0.1408402 -0.0000000), wk = 0.0018657 k( 24) = ( 0.1472420 0.1472420 -0.0000000), wk = 0.0018657 k( 25) = ( 0.1536439 0.1536439 -0.0000000), wk = 0.0018657 k( 26) = ( 0.1600457 0.1600457 -0.0000000), wk = 0.0018657 k( 27) = ( 0.1664475 0.1664475 -0.0000000), wk = 0.0018657 k( 28) = ( 0.1728494 0.1728493 -0.0000000), wk = 0.0018657 k( 29) = ( 0.1792512 0.1792512 -0.0000000), wk = 0.0018657 k( 30) = ( 0.1856530 0.1856530 -0.0000000), wk = 0.0018657 k( 31) = ( 0.1920548 0.1920548 -0.0000000), wk = 0.0018657 k( 32) = ( 0.1984567 0.1984567 0.0000000), wk = 0.0018657 k( 33) = ( 0.2048585 0.2048585 -0.0000000), wk = 0.0018657 k( 34) = ( 0.2112603 0.2112603 0.0000000), wk = 0.0018657 k( 35) = ( 0.2176621 0.2176621 -0.0000000), wk = 0.0018657 k( 36) = ( 0.2240640 0.2240640 0.0000000), wk = 0.0018657 k( 37) = ( 0.2304658 0.2304658 0.0000000), wk = 0.0018657 k( 38) = ( 0.2368676 0.2368676 0.0000000), wk = 0.0018657 k( 39) = ( 0.2432694 0.2432694 -0.0000000), wk = 0.0018657 k( 40) = ( 0.2496713 0.2496713 0.0000000), wk = 0.0018657 k( 41) = ( 0.2560731 0.2560731 0.0000000), wk = 0.0018657 k( 42) = ( 0.2624749 0.2624749 -0.0000000), wk = 0.0018657 k( 43) = ( 0.2688768 0.2688768 -0.0000000), wk = 0.0018657 k( 44) = ( 0.2752786 0.2752786 0.0000000), wk = 0.0018657 k( 45) = ( 0.2816804 0.2816804 -0.0000000), wk = 0.0018657 k( 46) = ( 0.2880822 0.2880822 -0.0000000), wk = 0.0018657 k( 47) = ( 0.2944841 0.2944841 -0.0000000), wk = 0.0018657 k( 48) = ( 0.3008859 0.3008859 -0.0000000), wk = 0.0018657 k( 49) = ( 0.3072877 0.3072877 -0.0000000), wk = 0.0018657 k( 50) = ( 0.3136896 0.3136896 -0.0000000), wk = 0.0018657 k( 51) = ( 0.3200914 0.3200914 -0.0000000), wk = 0.0018657 k( 52) = ( 0.3264932 0.3264932 -0.0000000), wk = 0.0018657 k( 53) = ( 0.3328950 0.3328950 -0.0000000), wk = 0.0018657 k( 54) = ( 0.3392969 0.3392969 -0.0000000), wk = 0.0018657 k( 55) = ( 0.3456987 0.3456987 -0.0000000), wk = 0.0018657 k( 56) = ( 0.3521005 0.3521005 -0.0000000), wk = 0.0018657 k( 57) = ( 0.3585024 0.3585024 0.0000000), wk = 0.0018657 k( 58) = ( 0.3649042 0.3649042 0.0000000), wk = 0.0018657 k( 59) = ( 0.3713060 0.3713060 0.0000000), wk = 0.0018657 k( 60) = ( 0.3777078 0.3777078 -0.0000000), wk = 0.0018657 k( 61) = ( 0.3841097 0.3841097 -0.0000000), wk = 0.0018657 k( 62) = ( 0.3905115 0.3905115 0.0000000), wk = 0.0018657 k( 63) = ( 0.3969133 0.3969133 0.0000000), wk = 0.0018657 k( 64) = ( 0.4033152 0.4033151 -0.0000000), wk = 0.0018657 k( 65) = ( 0.4097170 0.4097170 -0.0000000), wk = 0.0018657 k( 66) = ( 0.4161188 0.4161188 -0.0000000), wk = 0.0018657 k( 67) = ( 0.4225206 0.4225206 0.0000000), wk = 0.0018657 k( 68) = ( 0.4289225 0.4289225 -0.0000000), wk = 0.0018657 k( 69) = ( 0.4353243 0.4353243 -0.0000000), wk = 0.0018657 k( 70) = ( 0.4417261 0.4417261 -0.0000000), wk = 0.0018657 k( 71) = ( 0.4481279 0.4481279 0.0000000), wk = 0.0018657 k( 72) = ( 0.4545298 0.4545298 0.0000000), wk = 0.0018657 k( 73) = ( 0.4609316 0.4609316 0.0000000), wk = 0.0018657 k( 74) = ( 0.4673334 0.4673334 -0.0000000), wk = 0.0018657 k( 75) = ( 0.4737352 0.4737352 -0.0000000), wk = 0.0018657 k( 76) = ( 0.4801371 0.4801371 0.0000000), wk = 0.0018657 k( 77) = ( 0.4865389 0.4865389 -0.0000000), wk = 0.0018657 k( 78) = ( 0.4865389 0.4865389 -0.0000000), wk = 0.0018657 k( 79) = ( 0.4773589 0.4867929 0.0000000), wk = 0.0018657 k( 80) = ( 0.4681789 0.4870469 0.0000000), wk = 0.0018657 k( 81) = ( 0.4589990 0.4873009 -0.0000000), wk = 0.0018657 k( 82) = ( 0.4498190 0.4875548 0.0000000), wk = 0.0018657 k( 83) = ( 0.4406390 0.4878088 -0.0000000), wk = 0.0018657 k( 84) = ( 0.4314590 0.4880628 0.0000000), wk = 0.0018657 k( 85) = ( 0.4222790 0.4883168 -0.0000000), wk = 0.0018657 k( 86) = ( 0.4130991 0.4885708 0.0000000), wk = 0.0018657 k( 87) = ( 0.4039191 0.4888247 0.0000000), wk = 0.0018657 k( 88) = ( 0.3947391 0.4890787 -0.0000000), wk = 0.0018657 k( 89) = ( 0.3855591 0.4893327 -0.0000000), wk = 0.0018657 k( 90) = ( 0.3763791 0.4895867 0.0000000), wk = 0.0018657 k( 91) = ( 0.3671992 0.4898407 -0.0000000), wk = 0.0018657 k( 92) = ( 0.3580192 0.4900947 -0.0000000), wk = 0.0018657 k( 93) = ( 0.3488392 0.4903486 -0.0000000), wk = 0.0018657 k( 94) = ( 0.3396592 0.4906026 0.0000000), wk = 0.0018657 k( 95) = ( 0.3304793 0.4908566 -0.0000000), wk = 0.0018657 k( 96) = ( 0.3212993 0.4911106 0.0000000), wk = 0.0018657 k( 97) = ( 0.3121193 0.4913646 -0.0000000), wk = 0.0018657 k( 98) = ( 0.3029393 0.4916186 0.0000000), wk = 0.0018657 k( 99) = ( 0.2937593 0.4918726 0.0000000), wk = 0.0018657 k( 100) = ( 0.2845794 0.4921265 -0.0000000), wk = 0.0018657 k( 101) = ( 0.2753994 0.4923805 -0.0000000), wk = 0.0018657 k( 102) = ( 0.2662194 0.4926345 0.0000000), wk = 0.0018657 k( 103) = ( 0.2570394 0.4928885 0.0000000), wk = 0.0018657 k( 104) = ( 0.2478594 0.4931425 0.0000000), wk = 0.0018657 k( 105) = ( 0.2386795 0.4933964 0.0000000), wk = 0.0018657 k( 106) = ( 0.2294995 0.4936504 0.0000000), wk = 0.0018657 k( 107) = ( 0.2203195 0.4939044 -0.0000000), wk = 0.0018657 k( 108) = ( 0.2111395 0.4941584 -0.0000000), wk = 0.0018657 k( 109) = ( 0.2019595 0.4944124 -0.0000000), wk = 0.0018657 k( 110) = ( 0.1927796 0.4946664 0.0000000), wk = 0.0018657 k( 111) = ( 0.1835996 0.4949203 -0.0000000), wk = 0.0018657 k( 112) = ( 0.1744196 0.4951743 0.0000000), wk = 0.0018657 k( 113) = ( 0.1652396 0.4954283 -0.0000000), wk = 0.0018657 k( 114) = ( 0.1560596 0.4956823 -0.0000000), wk = 0.0018657 k( 115) = ( 0.1468797 0.4959363 -0.0000000), wk = 0.0018657 k( 116) = ( 0.1376997 0.4961903 -0.0000000), wk = 0.0018657 k( 117) = ( 0.1285197 0.4964442 -0.0000000), wk = 0.0018657 k( 118) = ( 0.1193397 0.4966982 -0.0000000), wk = 0.0018657 k( 119) = ( 0.1101598 0.4969522 -0.0000000), wk = 0.0018657 k( 120) = ( 0.1009798 0.4972062 -0.0000000), wk = 0.0018657 k( 121) = ( 0.0917998 0.4974602 -0.0000000), wk = 0.0018657 k( 122) = ( 0.0826198 0.4977141 -0.0000000), wk = 0.0018657 k( 123) = ( 0.0734398 0.4979681 -0.0000000), wk = 0.0018657 k( 124) = ( 0.0642599 0.4982221 -0.0000000), wk = 0.0018657 k( 125) = ( 0.0550799 0.4984761 -0.0000000), wk = 0.0018657 k( 126) = ( 0.0458999 0.4987301 -0.0000000), wk = 0.0018657 k( 127) = ( 0.0367199 0.4989841 0.0000000), wk = 0.0018657 k( 128) = ( 0.0275399 0.4992380 -0.0000000), wk = 0.0018657 k( 129) = ( 0.0183600 0.4994920 0.0000000), wk = 0.0018657 k( 130) = ( 0.0091800 0.4997460 0.0000000), wk = 0.0018657 k( 131) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018657 k( 132) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018657 k( 133) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0018657 k( 134) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0018657 k( 135) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0018657 k( 136) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0018657 k( 137) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0018657 k( 138) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0018657 k( 139) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0018657 k( 140) = ( 0.0000000 0.5000000 0.1481481), wk = 0.0018657 k( 141) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0018657 k( 142) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0018657 k( 143) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0018657 k( 144) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0018657 k( 145) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0018657 k( 146) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0018657 k( 147) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0018657 k( 148) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0018657 k( 149) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0018657 k( 150) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0018657 k( 151) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0018657 k( 152) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0018657 k( 153) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0018657 k( 154) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0018657 k( 155) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0018657 k( 156) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0018657 k( 157) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0018657 k( 158) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0018657 k( 159) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 160) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018657 k( 161) = ( 0.0091800 0.4997460 0.5000000), wk = 0.0018657 k( 162) = ( 0.0183600 0.4994920 0.5000000), wk = 0.0018657 k( 163) = ( 0.0275399 0.4992380 0.5000000), wk = 0.0018657 k( 164) = ( 0.0367199 0.4989841 0.5000000), wk = 0.0018657 k( 165) = ( 0.0458999 0.4987301 0.5000000), wk = 0.0018657 k( 166) = ( 0.0550799 0.4984761 0.5000000), wk = 0.0018657 k( 167) = ( 0.0642599 0.4982221 0.5000000), wk = 0.0018657 k( 168) = ( 0.0734398 0.4979681 0.5000000), wk = 0.0018657 k( 169) = ( 0.0826198 0.4977141 0.5000000), wk = 0.0018657 k( 170) = ( 0.0917998 0.4974602 0.5000000), wk = 0.0018657 k( 171) = ( 0.1009798 0.4972062 0.5000000), wk = 0.0018657 k( 172) = ( 0.1101598 0.4969522 0.5000000), wk = 0.0018657 k( 173) = ( 0.1193397 0.4966982 0.5000000), wk = 0.0018657 k( 174) = ( 0.1285197 0.4964442 0.5000000), wk = 0.0018657 k( 175) = ( 0.1376997 0.4961903 0.5000000), wk = 0.0018657 k( 176) = ( 0.1468797 0.4959363 0.5000000), wk = 0.0018657 k( 177) = ( 0.1560596 0.4956823 0.5000000), wk = 0.0018657 k( 178) = ( 0.1652396 0.4954283 0.5000000), wk = 0.0018657 k( 179) = ( 0.1744196 0.4951743 0.5000000), wk = 0.0018657 k( 180) = ( 0.1835996 0.4949203 0.5000000), wk = 0.0018657 k( 181) = ( 0.1927796 0.4946664 0.5000000), wk = 0.0018657 k( 182) = ( 0.2019595 0.4944124 0.5000000), wk = 0.0018657 k( 183) = ( 0.2111395 0.4941584 0.5000000), wk = 0.0018657 k( 184) = ( 0.2203195 0.4939044 0.5000000), wk = 0.0018657 k( 185) = ( 0.2294995 0.4936504 0.5000000), wk = 0.0018657 k( 186) = ( 0.2386795 0.4933964 0.5000000), wk = 0.0018657 k( 187) = ( 0.2478594 0.4931425 0.5000000), wk = 0.0018657 k( 188) = ( 0.2570394 0.4928885 0.5000000), wk = 0.0018657 k( 189) = ( 0.2662194 0.4926345 0.5000000), wk = 0.0018657 k( 190) = ( 0.2753994 0.4923805 0.5000000), wk = 0.0018657 k( 191) = ( 0.2845794 0.4921265 0.5000000), wk = 0.0018657 k( 192) = ( 0.2937593 0.4918726 0.5000000), wk = 0.0018657 k( 193) = ( 0.3029393 0.4916186 0.5000000), wk = 0.0018657 k( 194) = ( 0.3121193 0.4913646 0.5000000), wk = 0.0018657 k( 195) = ( 0.3212993 0.4911106 0.5000000), wk = 0.0018657 k( 196) = ( 0.3304793 0.4908566 0.5000000), wk = 0.0018657 k( 197) = ( 0.3396592 0.4906026 0.5000000), wk = 0.0018657 k( 198) = ( 0.3488392 0.4903486 0.5000000), wk = 0.0018657 k( 199) = ( 0.3580192 0.4900947 0.5000000), wk = 0.0018657 k( 200) = ( 0.3671992 0.4898407 0.5000000), wk = 0.0018657 k( 201) = ( 0.3763791 0.4895867 0.5000000), wk = 0.0018657 k( 202) = ( 0.3855591 0.4893327 0.5000000), wk = 0.0018657 k( 203) = ( 0.3947391 0.4890787 0.5000000), wk = 0.0018657 k( 204) = ( 0.4039191 0.4888247 0.5000000), wk = 0.0018657 k( 205) = ( 0.4130991 0.4885708 0.5000000), wk = 0.0018657 k( 206) = ( 0.4222790 0.4883168 0.5000000), wk = 0.0018657 k( 207) = ( 0.4314590 0.4880628 0.5000000), wk = 0.0018657 k( 208) = ( 0.4406390 0.4878088 0.5000000), wk = 0.0018657 k( 209) = ( 0.4498190 0.4875548 0.5000000), wk = 0.0018657 k( 210) = ( 0.4589990 0.4873009 0.5000000), wk = 0.0018657 k( 211) = ( 0.4681789 0.4870469 0.5000000), wk = 0.0018657 k( 212) = ( 0.4773589 0.4867929 0.5000000), wk = 0.0018657 k( 213) = ( 0.4865389 0.4865389 0.5000000), wk = 0.0018657 k( 214) = ( 0.4865389 0.4865389 0.5000000), wk = 0.0018657 k( 215) = ( 0.4801371 0.4801371 0.5000000), wk = 0.0018657 k( 216) = ( 0.4737352 0.4737352 0.5000000), wk = 0.0018657 k( 217) = ( 0.4673334 0.4673334 0.5000000), wk = 0.0018657 k( 218) = ( 0.4609316 0.4609316 0.5000000), wk = 0.0018657 k( 219) = ( 0.4545298 0.4545298 0.5000000), wk = 0.0018657 k( 220) = ( 0.4481279 0.4481279 0.5000000), wk = 0.0018657 k( 221) = ( 0.4417261 0.4417261 0.5000000), wk = 0.0018657 k( 222) = ( 0.4353243 0.4353243 0.5000000), wk = 0.0018657 k( 223) = ( 0.4289225 0.4289225 0.5000000), wk = 0.0018657 k( 224) = ( 0.4225206 0.4225206 0.5000000), wk = 0.0018657 k( 225) = ( 0.4161188 0.4161188 0.5000000), wk = 0.0018657 k( 226) = ( 0.4097170 0.4097170 0.5000000), wk = 0.0018657 k( 227) = ( 0.4033152 0.4033151 0.5000000), wk = 0.0018657 k( 228) = ( 0.3969133 0.3969133 0.5000000), wk = 0.0018657 k( 229) = ( 0.3905115 0.3905115 0.5000000), wk = 0.0018657 k( 230) = ( 0.3841097 0.3841097 0.5000000), wk = 0.0018657 k( 231) = ( 0.3777078 0.3777078 0.5000000), wk = 0.0018657 k( 232) = ( 0.3713060 0.3713060 0.5000000), wk = 0.0018657 k( 233) = ( 0.3649042 0.3649042 0.5000000), wk = 0.0018657 k( 234) = ( 0.3585024 0.3585024 0.5000000), wk = 0.0018657 k( 235) = ( 0.3521005 0.3521005 0.5000000), wk = 0.0018657 k( 236) = ( 0.3456987 0.3456987 0.5000000), wk = 0.0018657 k( 237) = ( 0.3392969 0.3392969 0.5000000), wk = 0.0018657 k( 238) = ( 0.3328950 0.3328950 0.5000000), wk = 0.0018657 k( 239) = ( 0.3264932 0.3264932 0.5000000), wk = 0.0018657 k( 240) = ( 0.3200914 0.3200914 0.5000000), wk = 0.0018657 k( 241) = ( 0.3136896 0.3136896 0.5000000), wk = 0.0018657 k( 242) = ( 0.3072877 0.3072877 0.5000000), wk = 0.0018657 k( 243) = ( 0.3008859 0.3008859 0.5000000), wk = 0.0018657 k( 244) = ( 0.2944841 0.2944841 0.5000000), wk = 0.0018657 k( 245) = ( 0.2880822 0.2880822 0.5000000), wk = 0.0018657 k( 246) = ( 0.2816804 0.2816804 0.5000000), wk = 0.0018657 k( 247) = ( 0.2752786 0.2752786 0.5000000), wk = 0.0018657 k( 248) = ( 0.2688768 0.2688768 0.5000000), wk = 0.0018657 k( 249) = ( 0.2624749 0.2624749 0.5000000), wk = 0.0018657 k( 250) = ( 0.2560731 0.2560731 0.5000000), wk = 0.0018657 k( 251) = ( 0.2496713 0.2496713 0.5000000), wk = 0.0018657 k( 252) = ( 0.2432694 0.2432694 0.5000000), wk = 0.0018657 k( 253) = ( 0.2368676 0.2368676 0.5000000), wk = 0.0018657 k( 254) = ( 0.2304658 0.2304658 0.5000000), wk = 0.0018657 k( 255) = ( 0.2240640 0.2240640 0.5000000), wk = 0.0018657 k( 256) = ( 0.2176621 0.2176621 0.5000000), wk = 0.0018657 k( 257) = ( 0.2112603 0.2112603 0.5000000), wk = 0.0018657 k( 258) = ( 0.2048585 0.2048585 0.5000000), wk = 0.0018657 k( 259) = ( 0.1984567 0.1984567 0.5000000), wk = 0.0018657 k( 260) = ( 0.1920548 0.1920548 0.5000000), wk = 0.0018657 k( 261) = ( 0.1856530 0.1856530 0.5000000), wk = 0.0018657 k( 262) = ( 0.1792512 0.1792512 0.5000000), wk = 0.0018657 k( 263) = ( 0.1728494 0.1728493 0.5000000), wk = 0.0018657 k( 264) = ( 0.1664475 0.1664475 0.5000000), wk = 0.0018657 k( 265) = ( 0.1600457 0.1600457 0.5000000), wk = 0.0018657 k( 266) = ( 0.1536439 0.1536439 0.5000000), wk = 0.0018657 k( 267) = ( 0.1472420 0.1472420 0.5000000), wk = 0.0018657 k( 268) = ( 0.1408402 0.1408402 0.5000000), wk = 0.0018657 k( 269) = ( 0.1344384 0.1344384 0.5000000), wk = 0.0018657 k( 270) = ( 0.1280365 0.1280366 0.5000000), wk = 0.0018657 k( 271) = ( 0.1216347 0.1216347 0.5000000), wk = 0.0018657 k( 272) = ( 0.1152329 0.1152329 0.5000000), wk = 0.0018657 k( 273) = ( 0.1088311 0.1088311 0.5000000), wk = 0.0018657 k( 274) = ( 0.1024292 0.1024292 0.5000000), wk = 0.0018657 k( 275) = ( 0.0960274 0.0960274 0.5000000), wk = 0.0018657 k( 276) = ( 0.0896256 0.0896256 0.5000000), wk = 0.0018657 k( 277) = ( 0.0832238 0.0832238 0.5000000), wk = 0.0018657 k( 278) = ( 0.0768219 0.0768219 0.5000000), wk = 0.0018657 k( 279) = ( 0.0704201 0.0704201 0.5000000), wk = 0.0018657 k( 280) = ( 0.0640183 0.0640183 0.5000000), wk = 0.0018657 k( 281) = ( 0.0576164 0.0576164 0.5000000), wk = 0.0018657 k( 282) = ( 0.0512146 0.0512146 0.5000000), wk = 0.0018657 k( 283) = ( 0.0448128 0.0448128 0.5000000), wk = 0.0018657 k( 284) = ( 0.0384110 0.0384110 0.5000000), wk = 0.0018657 k( 285) = ( 0.0320091 0.0320091 0.5000000), wk = 0.0018657 k( 286) = ( 0.0256073 0.0256073 0.5000000), wk = 0.0018657 k( 287) = ( 0.0192055 0.0192055 0.5000000), wk = 0.0018657 k( 288) = ( 0.0128037 0.0128037 0.5000000), wk = 0.0018657 k( 289) = ( 0.0064018 0.0064018 0.5000000), wk = 0.0018657 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 292) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0018657 k( 293) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0018657 k( 294) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0018657 k( 295) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0018657 k( 296) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0018657 k( 297) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0018657 k( 298) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0018657 k( 299) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0018657 k( 300) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018657 k( 301) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0018657 k( 302) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0018657 k( 303) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0018657 k( 304) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0018657 k( 305) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0018657 k( 306) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0018657 k( 307) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0018657 k( 308) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0018657 k( 309) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018657 k( 310) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0018657 k( 311) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0018657 k( 312) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0018657 k( 313) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0018657 k( 314) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0018657 k( 315) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0018657 k( 316) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0018657 k( 317) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0018657 k( 318) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 319) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018657 k( 320) = ( -0.0065790 0.0065790 0.0000000), wk = 0.0018657 k( 321) = ( -0.0131579 0.0131579 -0.0000000), wk = 0.0018657 k( 322) = ( -0.0197368 0.0197368 -0.0000000), wk = 0.0018657 k( 323) = ( -0.0263158 0.0263158 -0.0000000), wk = 0.0018657 k( 324) = ( -0.0328947 0.0328947 0.0000000), wk = 0.0018657 k( 325) = ( -0.0394737 0.0394737 -0.0000000), wk = 0.0018657 k( 326) = ( -0.0460526 0.0460526 0.0000000), wk = 0.0018657 k( 327) = ( -0.0526316 0.0526316 -0.0000000), wk = 0.0018657 k( 328) = ( -0.0592105 0.0592105 -0.0000000), wk = 0.0018657 k( 329) = ( -0.0657895 0.0657895 -0.0000000), wk = 0.0018657 k( 330) = ( -0.0723684 0.0723684 -0.0000000), wk = 0.0018657 k( 331) = ( -0.0789474 0.0789474 -0.0000000), wk = 0.0018657 k( 332) = ( -0.0855263 0.0855263 -0.0000000), wk = 0.0018657 k( 333) = ( -0.0921053 0.0921053 0.0000000), wk = 0.0018657 k( 334) = ( -0.0986842 0.0986842 -0.0000000), wk = 0.0018657 k( 335) = ( -0.1052632 0.1052632 -0.0000000), wk = 0.0018657 k( 336) = ( -0.1118421 0.1118421 -0.0000000), wk = 0.0018657 k( 337) = ( -0.1184210 0.1184210 -0.0000000), wk = 0.0018657 k( 338) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0018657 k( 339) = ( -0.1315790 0.1315790 0.0000000), wk = 0.0018657 k( 340) = ( -0.1381579 0.1381579 0.0000000), wk = 0.0018657 k( 341) = ( -0.1447368 0.1447368 -0.0000000), wk = 0.0018657 k( 342) = ( -0.1513158 0.1513158 -0.0000000), wk = 0.0018657 k( 343) = ( -0.1578947 0.1578947 -0.0000000), wk = 0.0018657 k( 344) = ( -0.1644737 0.1644737 -0.0000000), wk = 0.0018657 k( 345) = ( -0.1710526 0.1710526 -0.0000000), wk = 0.0018657 k( 346) = ( -0.1776316 0.1776316 -0.0000000), wk = 0.0018657 k( 347) = ( -0.1842105 0.1842105 0.0000000), wk = 0.0018657 k( 348) = ( -0.1907895 0.1907895 -0.0000000), wk = 0.0018657 k( 349) = ( -0.1973684 0.1973684 -0.0000000), wk = 0.0018657 k( 350) = ( -0.2039474 0.2039474 -0.0000000), wk = 0.0018657 k( 351) = ( -0.2105263 0.2105263 -0.0000000), wk = 0.0018657 k( 352) = ( -0.2171053 0.2171053 -0.0000000), wk = 0.0018657 k( 353) = ( -0.2236842 0.2236842 -0.0000000), wk = 0.0018657 k( 354) = ( -0.2302632 0.2302632 -0.0000000), wk = 0.0018657 k( 355) = ( -0.2368421 0.2368421 -0.0000000), wk = 0.0018657 k( 356) = ( -0.2434210 0.2434210 -0.0000000), wk = 0.0018657 k( 357) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0018657 k( 358) = ( -0.2565789 0.2565789 -0.0000000), wk = 0.0018657 k( 359) = ( -0.2631579 0.2631579 0.0000000), wk = 0.0018657 k( 360) = ( -0.2697368 0.2697368 -0.0000000), wk = 0.0018657 k( 361) = ( -0.2763158 0.2763158 0.0000000), wk = 0.0018657 k( 362) = ( -0.2828947 0.2828947 -0.0000000), wk = 0.0018657 k( 363) = ( -0.2894737 0.2894737 -0.0000000), wk = 0.0018657 k( 364) = ( -0.2960526 0.2960526 -0.0000000), wk = 0.0018657 k( 365) = ( -0.3026316 0.3026316 -0.0000000), wk = 0.0018657 k( 366) = ( -0.3092105 0.3092105 -0.0000000), wk = 0.0018657 k( 367) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0018657 k( 368) = ( -0.3223684 0.3223684 -0.0000000), wk = 0.0018657 k( 369) = ( -0.3289474 0.3289474 -0.0000000), wk = 0.0018657 k( 370) = ( -0.3355263 0.3355263 0.0000000), wk = 0.0018657 k( 371) = ( -0.3421053 0.3421053 -0.0000000), wk = 0.0018657 k( 372) = ( -0.3486842 0.3486842 0.0000000), wk = 0.0018657 k( 373) = ( -0.3552632 0.3552632 -0.0000000), wk = 0.0018657 k( 374) = ( -0.3618421 0.3618421 -0.0000000), wk = 0.0018657 k( 375) = ( -0.3684211 0.3684211 0.0000000), wk = 0.0018657 k( 376) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0018657 k( 377) = ( -0.3815789 0.3815789 -0.0000000), wk = 0.0018657 k( 378) = ( -0.3881579 0.3881579 0.0000000), wk = 0.0018657 k( 379) = ( -0.3947368 0.3947368 -0.0000000), wk = 0.0018657 k( 380) = ( -0.4013158 0.4013158 -0.0000000), wk = 0.0018657 k( 381) = ( -0.4078947 0.4078947 -0.0000000), wk = 0.0018657 k( 382) = ( -0.4144737 0.4144737 -0.0000000), wk = 0.0018657 k( 383) = ( -0.4210526 0.4210526 0.0000000), wk = 0.0018657 k( 384) = ( -0.4276316 0.4276316 0.0000000), wk = 0.0018657 k( 385) = ( -0.4342105 0.4342105 -0.0000000), wk = 0.0018657 k( 386) = ( -0.4407895 0.4407895 -0.0000000), wk = 0.0018657 k( 387) = ( -0.4473684 0.4473684 -0.0000000), wk = 0.0018657 k( 388) = ( -0.4539474 0.4539474 -0.0000000), wk = 0.0018657 k( 389) = ( -0.4605263 0.4605263 -0.0000000), wk = 0.0018657 k( 390) = ( -0.4671053 0.4671053 0.0000000), wk = 0.0018657 k( 391) = ( -0.4736842 0.4736842 -0.0000000), wk = 0.0018657 k( 392) = ( -0.4802632 0.4802632 0.0000000), wk = 0.0018657 k( 393) = ( -0.4868421 0.4868421 -0.0000000), wk = 0.0018657 k( 394) = ( -0.4934211 0.4934210 -0.0000000), wk = 0.0018657 k( 395) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 396) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 397) = ( -0.4955130 0.5044870 -0.0000000), wk = 0.0018657 k( 398) = ( -0.4910259 0.5089741 0.0000000), wk = 0.0018657 k( 399) = ( -0.4865389 0.5134611 -0.0000000), wk = 0.0018657 k( 400) = ( -0.4865389 0.5134611 -0.0000000), wk = 0.0018657 k( 401) = ( -0.4865389 0.5134611 0.0185185), wk = 0.0018657 k( 402) = ( -0.4865389 0.5134611 0.0370370), wk = 0.0018657 k( 403) = ( -0.4865389 0.5134611 0.0555556), wk = 0.0018657 k( 404) = ( -0.4865389 0.5134611 0.0740741), wk = 0.0018657 k( 405) = ( -0.4865389 0.5134611 0.0925926), wk = 0.0018657 k( 406) = ( -0.4865389 0.5134611 0.1111111), wk = 0.0018657 k( 407) = ( -0.4865389 0.5134611 0.1296296), wk = 0.0018657 k( 408) = ( -0.4865389 0.5134611 0.1481482), wk = 0.0018657 k( 409) = ( -0.4865389 0.5134611 0.1666667), wk = 0.0018657 k( 410) = ( -0.4865389 0.5134611 0.1851852), wk = 0.0018657 k( 411) = ( -0.4865389 0.5134611 0.2037037), wk = 0.0018657 k( 412) = ( -0.4865389 0.5134611 0.2222222), wk = 0.0018657 k( 413) = ( -0.4865389 0.5134611 0.2407407), wk = 0.0018657 k( 414) = ( -0.4865389 0.5134611 0.2592593), wk = 0.0018657 k( 415) = ( -0.4865389 0.5134611 0.2777778), wk = 0.0018657 k( 416) = ( -0.4865389 0.5134611 0.2962963), wk = 0.0018657 k( 417) = ( -0.4865389 0.5134611 0.3148148), wk = 0.0018657 k( 418) = ( -0.4865389 0.5134611 0.3333333), wk = 0.0018657 k( 419) = ( -0.4865389 0.5134611 0.3518518), wk = 0.0018657 k( 420) = ( -0.4865389 0.5134611 0.3703704), wk = 0.0018657 k( 421) = ( -0.4865389 0.5134611 0.3888889), wk = 0.0018657 k( 422) = ( -0.4865389 0.5134611 0.4074074), wk = 0.0018657 k( 423) = ( -0.4865389 0.5134611 0.4259259), wk = 0.0018657 k( 424) = ( -0.4865389 0.5134611 0.4444444), wk = 0.0018657 k( 425) = ( -0.4865389 0.5134611 0.4629630), wk = 0.0018657 k( 426) = ( -0.4865389 0.5134611 0.4814815), wk = 0.0018657 k( 427) = ( -0.4865389 0.5134611 0.5000000), wk = 0.0018657 k( 428) = ( -0.4865389 0.5134611 0.5000000), wk = 0.0018657 k( 429) = ( -0.4910259 0.5089741 0.5000000), wk = 0.0018657 k( 430) = ( -0.4955130 0.5044870 0.5000000), wk = 0.0018657 k( 431) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 432) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018657 k( 433) = ( -0.5000000 0.5000000 0.4814815), wk = 0.0018657 k( 434) = ( -0.5000000 0.5000000 0.4629630), wk = 0.0018657 k( 435) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0018657 k( 436) = ( -0.5000000 0.5000000 0.4259259), wk = 0.0018657 k( 437) = ( -0.5000000 0.5000000 0.4074074), wk = 0.0018657 k( 438) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0018657 k( 439) = ( -0.5000000 0.5000000 0.3703704), wk = 0.0018657 k( 440) = ( -0.5000000 0.5000000 0.3518518), wk = 0.0018657 k( 441) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0018657 k( 442) = ( -0.5000000 0.5000000 0.3148148), wk = 0.0018657 k( 443) = ( -0.5000000 0.5000000 0.2962963), wk = 0.0018657 k( 444) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0018657 k( 445) = ( -0.5000000 0.5000000 0.2592593), wk = 0.0018657 k( 446) = ( -0.5000000 0.5000000 0.2407407), wk = 0.0018657 k( 447) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0018657 k( 448) = ( -0.5000000 0.5000000 0.2037037), wk = 0.0018657 k( 449) = ( -0.5000000 0.5000000 0.1851852), wk = 0.0018657 k( 450) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0018657 k( 451) = ( -0.5000000 0.5000000 0.1481482), wk = 0.0018657 k( 452) = ( -0.5000000 0.5000000 0.1296296), wk = 0.0018657 k( 453) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0018657 k( 454) = ( -0.5000000 0.5000000 0.0925926), wk = 0.0018657 k( 455) = ( -0.5000000 0.5000000 0.0740741), wk = 0.0018657 k( 456) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0018657 k( 457) = ( -0.5000000 0.5000000 0.0370370), wk = 0.0018657 k( 458) = ( -0.5000000 0.5000000 0.0185185), wk = 0.0018657 k( 459) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018657 k( 460) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018657 k( 461) = ( -0.0065790 0.0065790 0.5000000), wk = 0.0018657 k( 462) = ( -0.0131579 0.0131579 0.5000000), wk = 0.0018657 k( 463) = ( -0.0197368 0.0197368 0.5000000), wk = 0.0018657 k( 464) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0018657 k( 465) = ( -0.0328947 0.0328947 0.5000000), wk = 0.0018657 k( 466) = ( -0.0394737 0.0394737 0.5000000), wk = 0.0018657 k( 467) = ( -0.0460526 0.0460526 0.5000000), wk = 0.0018657 k( 468) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0018657 k( 469) = ( -0.0592105 0.0592105 0.5000000), wk = 0.0018657 k( 470) = ( -0.0657895 0.0657895 0.5000000), wk = 0.0018657 k( 471) = ( -0.0723684 0.0723684 0.5000000), wk = 0.0018657 k( 472) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0018657 k( 473) = ( -0.0855263 0.0855263 0.5000000), wk = 0.0018657 k( 474) = ( -0.0921053 0.0921053 0.5000000), wk = 0.0018657 k( 475) = ( -0.0986842 0.0986842 0.5000000), wk = 0.0018657 k( 476) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0018657 k( 477) = ( -0.1118421 0.1118421 0.5000000), wk = 0.0018657 k( 478) = ( -0.1184210 0.1184210 0.5000000), wk = 0.0018657 k( 479) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0018657 k( 480) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0018657 k( 481) = ( -0.1381579 0.1381579 0.5000000), wk = 0.0018657 k( 482) = ( -0.1447368 0.1447368 0.5000000), wk = 0.0018657 k( 483) = ( -0.1513158 0.1513158 0.5000000), wk = 0.0018657 k( 484) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0018657 k( 485) = ( -0.1644737 0.1644737 0.5000000), wk = 0.0018657 k( 486) = ( -0.1710526 0.1710526 0.5000000), wk = 0.0018657 k( 487) = ( -0.1776316 0.1776316 0.5000000), wk = 0.0018657 k( 488) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0018657 k( 489) = ( -0.1907895 0.1907895 0.5000000), wk = 0.0018657 k( 490) = ( -0.1973684 0.1973684 0.5000000), wk = 0.0018657 k( 491) = ( -0.2039474 0.2039474 0.5000000), wk = 0.0018657 k( 492) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0018657 k( 493) = ( -0.2171053 0.2171053 0.5000000), wk = 0.0018657 k( 494) = ( -0.2236842 0.2236842 0.5000000), wk = 0.0018657 k( 495) = ( -0.2302632 0.2302632 0.5000000), wk = 0.0018657 k( 496) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0018657 k( 497) = ( -0.2434210 0.2434210 0.5000000), wk = 0.0018657 k( 498) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0018657 k( 499) = ( -0.2565789 0.2565789 0.5000000), wk = 0.0018657 k( 500) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0018657 k( 501) = ( -0.2697368 0.2697368 0.5000000), wk = 0.0018657 k( 502) = ( -0.2763158 0.2763158 0.5000000), wk = 0.0018657 k( 503) = ( -0.2828947 0.2828947 0.5000000), wk = 0.0018657 k( 504) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0018657 k( 505) = ( -0.2960526 0.2960526 0.5000000), wk = 0.0018657 k( 506) = ( -0.3026316 0.3026316 0.5000000), wk = 0.0018657 k( 507) = ( -0.3092105 0.3092105 0.5000000), wk = 0.0018657 k( 508) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0018657 k( 509) = ( -0.3223684 0.3223684 0.5000000), wk = 0.0018657 k( 510) = ( -0.3289474 0.3289474 0.5000000), wk = 0.0018657 k( 511) = ( -0.3355263 0.3355263 0.5000000), wk = 0.0018657 k( 512) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0018657 k( 513) = ( -0.3486842 0.3486842 0.5000000), wk = 0.0018657 k( 514) = ( -0.3552632 0.3552632 0.5000000), wk = 0.0018657 k( 515) = ( -0.3618421 0.3618421 0.5000000), wk = 0.0018657 k( 516) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0018657 k( 517) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0018657 k( 518) = ( -0.3815789 0.3815789 0.5000000), wk = 0.0018657 k( 519) = ( -0.3881579 0.3881579 0.5000000), wk = 0.0018657 k( 520) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0018657 k( 521) = ( -0.4013158 0.4013158 0.5000000), wk = 0.0018657 k( 522) = ( -0.4078947 0.4078947 0.5000000), wk = 0.0018657 k( 523) = ( -0.4144737 0.4144737 0.5000000), wk = 0.0018657 k( 524) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0018657 k( 525) = ( -0.4276316 0.4276316 0.5000000), wk = 0.0018657 k( 526) = ( -0.4342105 0.4342105 0.5000000), wk = 0.0018657 k( 527) = ( -0.4407895 0.4407895 0.5000000), wk = 0.0018657 k( 528) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0018657 k( 529) = ( -0.4539474 0.4539474 0.5000000), wk = 0.0018657 k( 530) = ( -0.4605263 0.4605263 0.5000000), wk = 0.0018657 k( 531) = ( -0.4671053 0.4671053 0.5000000), wk = 0.0018657 k( 532) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0018657 k( 533) = ( -0.4802632 0.4802632 0.5000000), wk = 0.0018657 k( 534) = ( -0.4868421 0.4868421 0.5000000), wk = 0.0018657 k( 535) = ( -0.4934211 0.4934210 0.5000000), wk = 0.0018657 k( 536) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018657 Dense grid: 32789 G-vectors FFT dimensions: ( 32, 32, 64) Smooth grid: 14217 G-vectors FFT dimensions: ( 24, 24, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 112, 40) NL pseudopotentials 0.07 Mb ( 56, 84) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.01 Mb ( 914) G-vector shells 0.00 Mb ( 468) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 112, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.10 Mb ( 84, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./CO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.6 secs Computing kpt #: 9 total cpu time spent up to now is 2.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.0 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.4 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.3 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.8 secs Computing kpt #: 21 total cpu time spent up to now is 5.0 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.6 secs Computing kpt #: 25 total cpu time spent up to now is 5.7 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.1 secs Computing kpt #: 28 total cpu time spent up to now is 6.3 secs Computing kpt #: 29 total cpu time spent up to now is 6.5 secs Computing kpt #: 30 total cpu time spent up to now is 6.7 secs Computing kpt #: 31 total cpu time spent up to now is 6.9 secs Computing kpt #: 32 total cpu time spent up to now is 7.1 secs Computing kpt #: 33 total cpu time spent up to now is 7.2 secs Computing kpt #: 34 total cpu time spent up to now is 7.4 secs Computing kpt #: 35 total cpu time spent up to now is 7.6 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 8.0 secs Computing kpt #: 38 total cpu time spent up to now is 8.2 secs Computing kpt #: 39 total cpu time spent up to now is 8.4 secs Computing kpt #: 40 total cpu time spent up to now is 8.6 secs Computing kpt #: 41 total cpu time spent up to now is 8.8 secs Computing kpt #: 42 total cpu time spent up to now is 9.0 secs Computing kpt #: 43 total cpu time spent up to now is 9.2 secs Computing kpt #: 44 total cpu time spent up to now is 9.4 secs Computing kpt #: 45 total cpu time spent up to now is 9.6 secs Computing kpt #: 46 total cpu time spent up to now is 9.8 secs Computing kpt #: 47 total cpu time spent up to now is 10.0 secs Computing kpt #: 48 total cpu time spent up to now is 10.2 secs Computing kpt #: 49 total cpu time spent up to now is 10.4 secs Computing kpt #: 50 total cpu time spent up to now is 10.6 secs Computing kpt #: 51 total cpu time spent up to now is 10.8 secs Computing kpt #: 52 total cpu time spent up to now is 11.0 secs Computing kpt #: 53 total cpu time spent up to now is 11.2 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.6 secs Computing kpt #: 56 total cpu time spent up to now is 11.8 secs Computing kpt #: 57 total cpu time spent up to now is 12.0 secs Computing kpt #: 58 total cpu time spent up to now is 12.2 secs Computing kpt #: 59 total cpu time spent up to now is 12.4 secs Computing kpt #: 60 total cpu time spent up to now is 12.6 secs Computing kpt #: 61 total cpu time spent up to now is 12.8 secs Computing kpt #: 62 total cpu time spent up to now is 13.0 secs Computing kpt #: 63 total cpu time spent up to now is 13.2 secs Computing kpt #: 64 total cpu time spent up to now is 13.4 secs Computing kpt #: 65 total cpu time spent up to now is 13.7 secs Computing kpt #: 66 total cpu time spent up to now is 13.9 secs Computing kpt #: 67 total cpu time spent up to now is 14.1 secs Computing kpt #: 68 total cpu time spent up to now is 14.3 secs Computing kpt #: 69 total cpu time spent up to now is 14.5 secs Computing kpt #: 70 total cpu time spent up to now is 14.7 secs Computing kpt #: 71 total cpu time spent up to now is 15.0 secs Computing kpt #: 72 total cpu time spent up to now is 15.2 secs Computing kpt #: 73 total cpu time spent up to now is 15.4 secs Computing kpt #: 74 total cpu time spent up to now is 15.7 secs Computing kpt #: 75 total cpu time spent up to now is 15.9 secs Computing kpt #: 76 total cpu time spent up to now is 16.1 secs Computing kpt #: 77 total cpu time spent up to now is 16.3 secs Computing kpt #: 78 total cpu time spent up to now is 16.5 secs Computing kpt #: 79 total cpu time spent up to now is 16.7 secs Computing kpt #: 80 total cpu time spent up to now is 16.9 secs Computing kpt #: 81 total cpu time spent up to now is 17.2 secs Computing kpt #: 82 total cpu time spent up to now is 17.4 secs Computing kpt #: 83 total cpu time spent up to now is 17.6 secs Computing kpt #: 84 total cpu time spent up to now is 17.8 secs Computing kpt #: 85 total cpu time spent up to now is 18.0 secs Computing kpt #: 86 total cpu time spent up to now is 18.3 secs Computing kpt #: 87 total cpu time spent up to now is 18.5 secs Computing kpt #: 88 total cpu time spent up to now is 18.7 secs Computing kpt #: 89 total cpu time spent up to now is 18.9 secs Computing kpt #: 90 total cpu time spent up to now is 19.1 secs Computing kpt #: 91 total cpu time spent up to now is 19.4 secs Computing kpt #: 92 total cpu time spent up to now is 19.6 secs Computing kpt #: 93 total cpu time spent up to now is 19.8 secs Computing kpt #: 94 total cpu time spent up to now is 20.0 secs Computing kpt #: 95 total cpu time spent up to now is 20.2 secs Computing kpt #: 96 total cpu time spent up to now is 20.4 secs Computing kpt #: 97 total cpu time spent up to now is 20.7 secs Computing kpt #: 98 total cpu time spent up to now is 20.9 secs Computing kpt #: 99 total cpu time spent up to now is 21.1 secs Computing kpt #: 100 total cpu time spent up to now is 21.3 secs Computing kpt #: 101 total cpu time spent up to now is 21.5 secs Computing kpt #: 102 total cpu time spent up to now is 21.7 secs Computing kpt #: 103 total cpu time spent up to now is 21.9 secs Computing kpt #: 104 total cpu time spent up to now is 22.1 secs Computing kpt #: 105 total cpu time spent up to now is 22.3 secs Computing kpt #: 106 total cpu time spent up to now is 22.5 secs Computing kpt #: 107 total cpu time spent up to now is 22.7 secs Computing kpt #: 108 total cpu time spent up to now is 23.0 secs Computing kpt #: 109 total cpu time spent up to now is 23.2 secs Computing kpt #: 110 total cpu time spent up to now is 23.4 secs Computing kpt #: 111 total cpu time spent up to now is 23.6 secs Computing kpt #: 112 total cpu time spent up to now is 23.8 secs Computing kpt #: 113 total cpu time spent up to now is 24.0 secs Computing kpt #: 114 total cpu time spent up to now is 24.2 secs Computing kpt #: 115 total cpu time spent up to now is 24.4 secs Computing kpt #: 116 total cpu time spent up to now is 24.6 secs Computing kpt #: 117 total cpu time spent up to now is 24.8 secs Computing kpt #: 118 total cpu time spent up to now is 25.0 secs Computing kpt #: 119 total cpu time spent up to now is 25.2 secs Computing kpt #: 120 total cpu time spent up to now is 25.4 secs Computing kpt #: 121 total cpu time spent up to now is 25.7 secs Computing kpt #: 122 total cpu time spent up to now is 26.0 secs Computing kpt #: 123 total cpu time spent up to now is 26.3 secs Computing kpt #: 124 total cpu time spent up to now is 26.6 secs Computing kpt #: 125 total cpu time spent up to now is 26.9 secs Computing kpt #: 126 total cpu time spent up to now is 27.2 secs Computing kpt #: 127 total cpu time spent up to now is 27.5 secs Computing kpt #: 128 total cpu time spent up to now is 27.7 secs Computing kpt #: 129 total cpu time spent up to now is 28.0 secs Computing kpt #: 130 total cpu time spent up to now is 28.3 secs Computing kpt #: 131 total cpu time spent up to now is 28.6 secs Computing kpt #: 132 total cpu time spent up to now is 28.9 secs Computing kpt #: 133 total cpu time spent up to now is 29.1 secs Computing kpt #: 134 total cpu time spent up to now is 29.3 secs Computing kpt #: 135 total cpu time spent up to now is 29.7 secs Computing kpt #: 136 total cpu time spent up to now is 30.0 secs Computing kpt #: 137 total cpu time spent up to now is 30.3 secs Computing kpt #: 138 total cpu time spent up to now is 30.6 secs Computing kpt #: 139 total cpu time spent up to now is 30.9 secs Computing kpt #: 140 total cpu time spent up to now is 31.2 secs Computing kpt #: 141 total cpu time spent up to now is 31.5 secs Computing kpt #: 142 total cpu time spent up to now is 31.8 secs Computing kpt #: 143 total cpu time spent up to now is 32.1 secs Computing kpt #: 144 total cpu time spent up to now is 32.5 secs Computing kpt #: 145 total cpu time spent up to now is 32.8 secs Computing kpt #: 146 total cpu time spent up to now is 33.1 secs Computing kpt #: 147 total cpu time spent up to now is 33.4 secs Computing kpt #: 148 total cpu time spent up to now is 33.7 secs Computing kpt #: 149 total cpu time spent up to now is 34.0 secs Computing kpt #: 150 total cpu time spent up to now is 34.4 secs Computing kpt #: 151 total cpu time spent up to now is 34.7 secs Computing kpt #: 152 total cpu time spent up to now is 35.0 secs Computing kpt #: 153 total cpu time spent up to now is 35.3 secs Computing kpt #: 154 total cpu time spent up to now is 35.6 secs Computing kpt #: 155 total cpu time spent up to now is 35.9 secs Computing kpt #: 156 total cpu time spent up to now is 36.2 secs Computing kpt #: 157 total cpu time spent up to now is 36.4 secs Computing kpt #: 158 total cpu time spent up to now is 36.7 secs Computing kpt #: 159 total cpu time spent up to now is 37.0 secs Computing kpt #: 160 total cpu time spent up to now is 37.3 secs Computing kpt #: 161 total cpu time spent up to now is 37.5 secs Computing kpt #: 162 total cpu time spent up to now is 37.8 secs Computing kpt #: 163 total cpu time spent up to now is 38.0 secs Computing kpt #: 164 total cpu time spent up to now is 38.3 secs Computing kpt #: 165 total cpu time spent up to now is 38.6 secs Computing kpt #: 166 total cpu time spent up to now is 38.8 secs Computing kpt #: 167 total cpu time spent up to now is 39.1 secs Computing kpt #: 168 total cpu time spent up to now is 39.3 secs Computing kpt #: 169 total cpu time spent up to now is 39.7 secs Computing kpt #: 170 total cpu time spent up to now is 39.9 secs Computing kpt #: 171 total cpu time spent up to now is 40.2 secs Computing kpt #: 172 total cpu time spent up to now is 40.6 secs Computing kpt #: 173 total cpu time spent up to now is 40.9 secs Computing kpt #: 174 total cpu time spent up to now is 41.2 secs Computing kpt #: 175 total cpu time spent up to now is 41.5 secs Computing kpt #: 176 total cpu time spent up to now is 41.8 secs Computing kpt #: 177 total cpu time spent up to now is 42.1 secs Computing kpt #: 178 total cpu time spent up to now is 42.4 secs Computing kpt #: 179 total cpu time spent up to now is 42.7 secs Computing kpt #: 180 total cpu time spent up to now is 43.1 secs Computing kpt #: 181 total cpu time spent up to now is 43.3 secs Computing kpt #: 182 total cpu time spent up to now is 43.6 secs Computing kpt #: 183 total cpu time spent up to now is 43.8 secs Computing kpt #: 184 total cpu time spent up to now is 44.0 secs Computing kpt #: 185 total cpu time spent up to now is 44.3 secs Computing kpt #: 186 total cpu time spent up to now is 44.6 secs Computing kpt #: 187 total cpu time spent up to now is 44.9 secs Computing kpt #: 188 total cpu time spent up to now is 45.2 secs Computing kpt #: 189 total cpu time spent up to now is 45.4 secs Computing kpt #: 190 total cpu time spent up to now is 45.7 secs Computing kpt #: 191 total cpu time spent up to now is 46.0 secs Computing kpt #: 192 total cpu time spent up to now is 46.2 secs Computing kpt #: 193 total cpu time spent up to now is 46.5 secs Computing kpt #: 194 total cpu time spent up to now is 46.7 secs Computing kpt #: 195 total cpu time spent up to now is 47.0 secs Computing kpt #: 196 total cpu time spent up to now is 47.2 secs Computing kpt #: 197 total cpu time spent up to now is 47.4 secs Computing kpt #: 198 total cpu time spent up to now is 47.7 secs Computing kpt #: 199 total cpu time spent up to now is 47.9 secs Computing kpt #: 200 total cpu time spent up to now is 48.1 secs Computing kpt #: 201 total cpu time spent up to now is 48.3 secs Computing kpt #: 202 total cpu time spent up to now is 48.5 secs Computing kpt #: 203 total cpu time spent up to now is 48.7 secs Computing kpt #: 204 total cpu time spent up to now is 49.0 secs Computing kpt #: 205 total cpu time spent up to now is 49.2 secs Computing kpt #: 206 total cpu time spent up to now is 49.4 secs Computing kpt #: 207 total cpu time spent up to now is 49.6 secs Computing kpt #: 208 total cpu time spent up to now is 49.9 secs Computing kpt #: 209 total cpu time spent up to now is 50.1 secs Computing kpt #: 210 total cpu time spent up to now is 50.3 secs Computing kpt #: 211 total cpu time spent up to now is 50.5 secs Computing kpt #: 212 total cpu time spent up to now is 50.7 secs Computing kpt #: 213 total cpu time spent up to now is 50.9 secs Computing kpt #: 214 total cpu time spent up to now is 51.1 secs Computing kpt #: 215 total cpu time spent up to now is 51.3 secs Computing kpt #: 216 total cpu time spent up to now is 51.6 secs Computing kpt #: 217 total cpu time spent up to now is 51.8 secs Computing kpt #: 218 total cpu time spent up to now is 52.0 secs Computing kpt #: 219 total cpu time spent up to now is 52.2 secs Computing kpt #: 220 total cpu time spent up to now is 52.4 secs Computing kpt #: 221 total cpu time spent up to now is 52.6 secs Computing kpt #: 222 total cpu time spent up to now is 52.8 secs Computing kpt #: 223 total cpu time spent up to now is 53.0 secs Computing kpt #: 224 total cpu time spent up to now is 53.2 secs Computing kpt #: 225 total cpu time spent up to now is 53.5 secs Computing kpt #: 226 total cpu time spent up to now is 53.7 secs Computing kpt #: 227 total cpu time spent up to now is 53.9 secs Computing kpt #: 228 total cpu time spent up to now is 54.1 secs Computing kpt #: 229 total cpu time spent up to now is 54.3 secs Computing kpt #: 230 total cpu time spent up to now is 54.5 secs Computing kpt #: 231 total cpu time spent up to now is 54.7 secs Computing kpt #: 232 total cpu time spent up to now is 54.9 secs Computing kpt #: 233 total cpu time spent up to now is 55.2 secs Computing kpt #: 234 total cpu time spent up to now is 55.4 secs Computing kpt #: 235 total cpu time spent up to now is 55.6 secs Computing kpt #: 236 total cpu time spent up to now is 55.8 secs Computing kpt #: 237 total cpu time spent up to now is 56.0 secs Computing kpt #: 238 total cpu time spent up to now is 56.2 secs Computing kpt #: 239 total cpu time spent up to now is 56.4 secs Computing kpt #: 240 total cpu time spent up to now is 56.6 secs Computing kpt #: 241 total cpu time spent up to now is 56.8 secs Computing kpt #: 242 total cpu time spent up to now is 57.0 secs Computing kpt #: 243 total cpu time spent up to now is 57.2 secs Computing kpt #: 244 total cpu time spent up to now is 57.4 secs Computing kpt #: 245 total cpu time spent up to now is 57.6 secs Computing kpt #: 246 total cpu time spent up to now is 57.8 secs Computing kpt #: 247 total cpu time spent up to now is 58.0 secs Computing kpt #: 248 total cpu time spent up to now is 58.2 secs Computing kpt #: 249 total cpu time spent up to now is 58.4 secs Computing kpt #: 250 total cpu time spent up to now is 58.6 secs Computing kpt #: 251 total cpu time spent up to now is 58.8 secs Computing kpt #: 252 total cpu time spent up to now is 59.0 secs Computing kpt #: 253 total cpu time spent up to now is 59.2 secs Computing kpt #: 254 total cpu time spent up to now is 59.4 secs Computing kpt #: 255 total cpu time spent up to now is 59.6 secs Computing kpt #: 256 total cpu time spent up to now is 59.8 secs Computing kpt #: 257 total cpu time spent up to now is 60.0 secs Computing kpt #: 258 total cpu time spent up to now is 60.2 secs Computing kpt #: 259 total cpu time spent up to now is 60.4 secs Computing kpt #: 260 total cpu time spent up to now is 60.6 secs Computing kpt #: 261 total cpu time spent up to now is 60.8 secs Computing kpt #: 262 total cpu time spent up to now is 61.0 secs Computing kpt #: 263 total cpu time spent up to now is 61.2 secs Computing kpt #: 264 total cpu time spent up to now is 61.4 secs Computing kpt #: 265 total cpu time spent up to now is 61.6 secs Computing kpt #: 266 total cpu time spent up to now is 61.8 secs Computing kpt #: 267 total cpu time spent up to now is 62.0 secs Computing kpt #: 268 total cpu time spent up to now is 62.1 secs Computing kpt #: 269 total cpu time spent up to now is 62.3 secs Computing kpt #: 270 total cpu time spent up to now is 62.5 secs Computing kpt #: 271 total cpu time spent up to now is 62.7 secs Computing kpt #: 272 total cpu time spent up to now is 63.0 secs Computing kpt #: 273 total cpu time spent up to now is 63.2 secs Computing kpt #: 274 total cpu time spent up to now is 63.5 secs Computing kpt #: 275 total cpu time spent up to now is 63.7 secs Computing kpt #: 276 total cpu time spent up to now is 64.0 secs Computing kpt #: 277 total cpu time spent up to now is 64.2 secs Computing kpt #: 278 total cpu time spent up to now is 64.5 secs Computing kpt #: 279 total cpu time spent up to now is 64.7 secs Computing kpt #: 280 total cpu time spent up to now is 65.0 secs Computing kpt #: 281 total cpu time spent up to now is 65.2 secs Computing kpt #: 282 total cpu time spent up to now is 65.5 secs Computing kpt #: 283 total cpu time spent up to now is 65.7 secs Computing kpt #: 284 total cpu time spent up to now is 66.0 secs Computing kpt #: 285 total cpu time spent up to now is 66.3 secs Computing kpt #: 286 total cpu time spent up to now is 66.6 secs Computing kpt #: 287 total cpu time spent up to now is 66.9 secs Computing kpt #: 288 total cpu time spent up to now is 67.1 secs Computing kpt #: 289 total cpu time spent up to now is 67.4 secs Computing kpt #: 290 total cpu time spent up to now is 67.5 secs Computing kpt #: 291 total cpu time spent up to now is 67.8 secs Computing kpt #: 292 total cpu time spent up to now is 68.0 secs Computing kpt #: 293 total cpu time spent up to now is 68.2 secs Computing kpt #: 294 total cpu time spent up to now is 68.3 secs Computing kpt #: 295 total cpu time spent up to now is 68.5 secs Computing kpt #: 296 total cpu time spent up to now is 68.7 secs Computing kpt #: 297 total cpu time spent up to now is 68.9 secs Computing kpt #: 298 total cpu time spent up to now is 69.1 secs Computing kpt #: 299 total cpu time spent up to now is 69.3 secs Computing kpt #: 300 total cpu time spent up to now is 69.5 secs Computing kpt #: 301 total cpu time spent up to now is 69.7 secs Computing kpt #: 302 total cpu time spent up to now is 69.9 secs Computing kpt #: 303 total cpu time spent up to now is 70.1 secs Computing kpt #: 304 total cpu time spent up to now is 70.3 secs Computing kpt #: 305 total cpu time spent up to now is 70.5 secs Computing kpt #: 306 total cpu time spent up to now is 70.7 secs Computing kpt #: 307 total cpu time spent up to now is 70.9 secs Computing kpt #: 308 total cpu time spent up to now is 71.1 secs Computing kpt #: 309 total cpu time spent up to now is 71.3 secs Computing kpt #: 310 total cpu time spent up to now is 71.4 secs Computing kpt #: 311 total cpu time spent up to now is 71.6 secs Computing kpt #: 312 total cpu time spent up to now is 71.8 secs Computing kpt #: 313 total cpu time spent up to now is 72.0 secs Computing kpt #: 314 total cpu time spent up to now is 72.2 secs Computing kpt #: 315 total cpu time spent up to now is 72.3 secs Computing kpt #: 316 total cpu time spent up to now is 72.5 secs Computing kpt #: 317 total cpu time spent up to now is 72.7 secs Computing kpt #: 318 total cpu time spent up to now is 72.9 secs Computing kpt #: 319 total cpu time spent up to now is 73.1 secs Computing kpt #: 320 total cpu time spent up to now is 73.2 secs Computing kpt #: 321 total cpu time spent up to now is 73.4 secs Computing kpt #: 322 total cpu time spent up to now is 73.6 secs Computing kpt #: 323 total cpu time spent up to now is 73.8 secs Computing kpt #: 324 total cpu time spent up to now is 74.0 secs Computing kpt #: 325 total cpu time spent up to now is 74.2 secs Computing kpt #: 326 total cpu time spent up to now is 74.4 secs Computing kpt #: 327 total cpu time spent up to now is 74.7 secs Computing kpt #: 328 total cpu time spent up to now is 75.0 secs Computing kpt #: 329 total cpu time spent up to now is 75.2 secs Computing kpt #: 330 total cpu time spent up to now is 75.4 secs Computing kpt #: 331 total cpu time spent up to now is 75.6 secs Computing kpt #: 332 total cpu time spent up to now is 75.8 secs Computing kpt #: 333 total cpu time spent up to now is 76.0 secs Computing kpt #: 334 total cpu time spent up to now is 76.1 secs Computing kpt #: 335 total cpu time spent up to now is 76.3 secs Computing kpt #: 336 total cpu time spent up to now is 76.5 secs Computing kpt #: 337 total cpu time spent up to now is 76.7 secs Computing kpt #: 338 total cpu time spent up to now is 76.9 secs Computing kpt #: 339 total cpu time spent up to now is 77.1 secs Computing kpt #: 340 total cpu time spent up to now is 77.3 secs Computing kpt #: 341 total cpu time spent up to now is 77.5 secs Computing kpt #: 342 total cpu time spent up to now is 77.7 secs Computing kpt #: 343 total cpu time spent up to now is 77.9 secs Computing kpt #: 344 total cpu time spent up to now is 78.1 secs Computing kpt #: 345 total cpu time spent up to now is 78.3 secs Computing kpt #: 346 total cpu time spent up to now is 78.5 secs Computing kpt #: 347 total cpu time spent up to now is 78.7 secs Computing kpt #: 348 total cpu time spent up to now is 78.9 secs Computing kpt #: 349 total cpu time spent up to now is 79.1 secs Computing kpt #: 350 total cpu time spent up to now is 79.2 secs Computing kpt #: 351 total cpu time spent up to now is 79.4 secs Computing kpt #: 352 total cpu time spent up to now is 79.6 secs Computing kpt #: 353 total cpu time spent up to now is 79.8 secs Computing kpt #: 354 total cpu time spent up to now is 80.0 secs Computing kpt #: 355 total cpu time spent up to now is 80.2 secs Computing kpt #: 356 total cpu time spent up to now is 80.4 secs Computing kpt #: 357 total cpu time spent up to now is 80.6 secs Computing kpt #: 358 total cpu time spent up to now is 80.8 secs Computing kpt #: 359 total cpu time spent up to now is 81.0 secs Computing kpt #: 360 total cpu time spent up to now is 81.2 secs Computing kpt #: 361 total cpu time spent up to now is 81.4 secs Computing kpt #: 362 total cpu time spent up to now is 81.6 secs Computing kpt #: 363 total cpu time spent up to now is 81.8 secs Computing kpt #: 364 total cpu time spent up to now is 82.0 secs Computing kpt #: 365 total cpu time spent up to now is 82.2 secs Computing kpt #: 366 total cpu time spent up to now is 82.4 secs Computing kpt #: 367 total cpu time spent up to now is 82.6 secs Computing kpt #: 368 total cpu time spent up to now is 82.8 secs Computing kpt #: 369 total cpu time spent up to now is 83.0 secs Computing kpt #: 370 total cpu time spent up to now is 83.2 secs Computing kpt #: 371 total cpu time spent up to now is 83.4 secs Computing kpt #: 372 total cpu time spent up to now is 83.6 secs Computing kpt #: 373 total cpu time spent up to now is 83.8 secs Computing kpt #: 374 total cpu time spent up to now is 84.0 secs Computing kpt #: 375 total cpu time spent up to now is 84.2 secs Computing kpt #: 376 total cpu time spent up to now is 84.4 secs Computing kpt #: 377 total cpu time spent up to now is 84.6 secs Computing kpt #: 378 total cpu time spent up to now is 84.8 secs Computing kpt #: 379 total cpu time spent up to now is 85.1 secs Computing kpt #: 380 total cpu time spent up to now is 85.3 secs Computing kpt #: 381 total cpu time spent up to now is 85.5 secs Computing kpt #: 382 total cpu time spent up to now is 85.7 secs Computing kpt #: 383 total cpu time spent up to now is 86.0 secs Computing kpt #: 384 total cpu time spent up to now is 86.2 secs Computing kpt #: 385 total cpu time spent up to now is 86.4 secs Computing kpt #: 386 total cpu time spent up to now is 86.6 secs Computing kpt #: 387 total cpu time spent up to now is 86.8 secs Computing kpt #: 388 total cpu time spent up to now is 87.0 secs Computing kpt #: 389 total cpu time spent up to now is 87.2 secs Computing kpt #: 390 total cpu time spent up to now is 87.4 secs Computing kpt #: 391 total cpu time spent up to now is 87.6 secs Computing kpt #: 392 total cpu time spent up to now is 87.8 secs Computing kpt #: 393 total cpu time spent up to now is 88.1 secs Computing kpt #: 394 total cpu time spent up to now is 88.3 secs Computing kpt #: 395 total cpu time spent up to now is 88.5 secs Computing kpt #: 396 total cpu time spent up to now is 88.7 secs Computing kpt #: 397 total cpu time spent up to now is 88.9 secs Computing kpt #: 398 total cpu time spent up to now is 89.1 secs Computing kpt #: 399 total cpu time spent up to now is 89.3 secs Computing kpt #: 400 total cpu time spent up to now is 89.5 secs Computing kpt #: 401 total cpu time spent up to now is 89.7 secs Computing kpt #: 402 total cpu time spent up to now is 89.9 secs Computing kpt #: 403 total cpu time spent up to now is 90.2 secs Computing kpt #: 404 total cpu time spent up to now is 90.4 secs Computing kpt #: 405 total cpu time spent up to now is 90.6 secs Computing kpt #: 406 total cpu time spent up to now is 90.8 secs Computing kpt #: 407 total cpu time spent up to now is 91.0 secs Computing kpt #: 408 total cpu time spent up to now is 91.3 secs Computing kpt #: 409 total cpu time spent up to now is 91.5 secs Computing kpt #: 410 total cpu time spent up to now is 91.7 secs Computing kpt #: 411 total cpu time spent up to now is 91.9 secs Computing kpt #: 412 total cpu time spent up to now is 92.1 secs Computing kpt #: 413 total cpu time spent up to now is 92.3 secs Computing kpt #: 414 total cpu time spent up to now is 92.6 secs Computing kpt #: 415 total cpu time spent up to now is 92.8 secs Computing kpt #: 416 total cpu time spent up to now is 93.0 secs Computing kpt #: 417 total cpu time spent up to now is 93.2 secs Computing kpt #: 418 total cpu time spent up to now is 93.4 secs Computing kpt #: 419 total cpu time spent up to now is 93.7 secs Computing kpt #: 420 total cpu time spent up to now is 93.9 secs Computing kpt #: 421 total cpu time spent up to now is 94.1 secs Computing kpt #: 422 total cpu time spent up to now is 94.3 secs Computing kpt #: 423 total cpu time spent up to now is 94.6 secs Computing kpt #: 424 total cpu time spent up to now is 94.8 secs Computing kpt #: 425 total cpu time spent up to now is 95.0 secs Computing kpt #: 426 total cpu time spent up to now is 95.2 secs Computing kpt #: 427 total cpu time spent up to now is 95.4 secs Computing kpt #: 428 total cpu time spent up to now is 95.6 secs Computing kpt #: 429 total cpu time spent up to now is 95.8 secs Computing kpt #: 430 total cpu time spent up to now is 96.0 secs Computing kpt #: 431 total cpu time spent up to now is 96.3 secs Computing kpt #: 432 total cpu time spent up to now is 96.5 secs Computing kpt #: 433 total cpu time spent up to now is 96.7 secs Computing kpt #: 434 total cpu time spent up to now is 96.9 secs Computing kpt #: 435 total cpu time spent up to now is 97.1 secs Computing kpt #: 436 total cpu time spent up to now is 97.4 secs Computing kpt #: 437 total cpu time spent up to now is 97.6 secs Computing kpt #: 438 total cpu time spent up to now is 97.8 secs Computing kpt #: 439 total cpu time spent up to now is 98.0 secs Computing kpt #: 440 total cpu time spent up to now is 98.3 secs Computing kpt #: 441 total cpu time spent up to now is 98.5 secs Computing kpt #: 442 total cpu time spent up to now is 98.7 secs Computing kpt #: 443 total cpu time spent up to now is 98.9 secs Computing kpt #: 444 total cpu time spent up to now is 99.1 secs Computing kpt #: 445 total cpu time spent up to now is 99.4 secs Computing kpt #: 446 total cpu time spent up to now is 99.6 secs Computing kpt #: 447 total cpu time spent up to now is 99.8 secs Computing kpt #: 448 total cpu time spent up to now is 100.0 secs Computing kpt #: 449 total cpu time spent up to now is 100.2 secs Computing kpt #: 450 total cpu time spent up to now is 100.4 secs Computing kpt #: 451 total cpu time spent up to now is 100.7 secs Computing kpt #: 452 total cpu time spent up to now is 100.9 secs Computing kpt #: 453 total cpu time spent up to now is 101.1 secs Computing kpt #: 454 total cpu time spent up to now is 101.3 secs Computing kpt #: 455 total cpu time spent up to now is 101.5 secs Computing kpt #: 456 total cpu time spent up to now is 101.8 secs Computing kpt #: 457 total cpu time spent up to now is 102.0 secs Computing kpt #: 458 total cpu time spent up to now is 102.2 secs Computing kpt #: 459 total cpu time spent up to now is 102.4 secs Computing kpt #: 460 total cpu time spent up to now is 102.6 secs Computing kpt #: 461 total cpu time spent up to now is 102.8 secs Computing kpt #: 462 total cpu time spent up to now is 103.0 secs Computing kpt #: 463 total cpu time spent up to now is 103.2 secs Computing kpt #: 464 total cpu time spent up to now is 103.4 secs Computing kpt #: 465 total cpu time spent up to now is 103.6 secs Computing kpt #: 466 total cpu time spent up to now is 103.8 secs Computing kpt #: 467 total cpu time spent up to now is 104.1 secs Computing kpt #: 468 total cpu time spent up to now is 104.3 secs Computing kpt #: 469 total cpu time spent up to now is 104.5 secs Computing kpt #: 470 total cpu time spent up to now is 104.7 secs Computing kpt #: 471 total cpu time spent up to now is 104.9 secs Computing kpt #: 472 total cpu time spent up to now is 105.1 secs Computing kpt #: 473 total cpu time spent up to now is 105.3 secs Computing kpt #: 474 total cpu time spent up to now is 105.5 secs Computing kpt #: 475 total cpu time spent up to now is 105.7 secs Computing kpt #: 476 total cpu time spent up to now is 105.9 secs Computing kpt #: 477 total cpu time spent up to now is 106.1 secs Computing kpt #: 478 total cpu time spent up to now is 106.3 secs Computing kpt #: 479 total cpu time spent up to now is 106.5 secs Computing kpt #: 480 total cpu time spent up to now is 106.7 secs Computing kpt #: 481 total cpu time spent up to now is 106.9 secs Computing kpt #: 482 total cpu time spent up to now is 107.0 secs Computing kpt #: 483 total cpu time spent up to now is 107.2 secs Computing kpt #: 484 total cpu time spent up to now is 107.4 secs Computing kpt #: 485 total cpu time spent up to now is 107.6 secs Computing kpt #: 486 total cpu time spent up to now is 107.8 secs Computing kpt #: 487 total cpu time spent up to now is 108.0 secs Computing kpt #: 488 total cpu time spent up to now is 108.2 secs Computing kpt #: 489 total cpu time spent up to now is 108.4 secs Computing kpt #: 490 total cpu time spent up to now is 108.6 secs Computing kpt #: 491 total cpu time spent up to now is 108.8 secs Computing kpt #: 492 total cpu time spent up to now is 109.0 secs Computing kpt #: 493 total cpu time spent up to now is 109.2 secs Computing kpt #: 494 total cpu time spent up to now is 109.4 secs Computing kpt #: 495 total cpu time spent up to now is 109.6 secs Computing kpt #: 496 total cpu time spent up to now is 110.1 secs Computing kpt #: 497 total cpu time spent up to now is 110.3 secs Computing kpt #: 498 total cpu time spent up to now is 110.4 secs Computing kpt #: 499 total cpu time spent up to now is 110.7 secs Computing kpt #: 500 total cpu time spent up to now is 110.9 secs Computing kpt #: 501 total cpu time spent up to now is 111.1 secs Computing kpt #: 502 total cpu time spent up to now is 111.3 secs Computing kpt #: 503 total cpu time spent up to now is 111.5 secs Computing kpt #: 504 total cpu time spent up to now is 111.7 secs Computing kpt #: 505 total cpu time spent up to now is 111.9 secs Computing kpt #: 506 total cpu time spent up to now is 112.1 secs Computing kpt #: 507 total cpu time spent up to now is 112.3 secs Computing kpt #: 508 total cpu time spent up to now is 112.5 secs Computing kpt #: 509 total cpu time spent up to now is 112.7 secs Computing kpt #: 510 total cpu time spent up to now is 112.9 secs Computing kpt #: 511 total cpu time spent up to now is 113.1 secs Computing kpt #: 512 total cpu time spent up to now is 113.4 secs Computing kpt #: 513 total cpu time spent up to now is 113.7 secs Computing kpt #: 514 total cpu time spent up to now is 113.9 secs Computing kpt #: 515 total cpu time spent up to now is 114.2 secs Computing kpt #: 516 total cpu time spent up to now is 114.6 secs Computing kpt #: 517 total cpu time spent up to now is 114.9 secs Computing kpt #: 518 total cpu time spent up to now is 115.1 secs Computing kpt #: 519 total cpu time spent up to now is 115.4 secs Computing kpt #: 520 total cpu time spent up to now is 115.6 secs Computing kpt #: 521 total cpu time spent up to now is 115.9 secs Computing kpt #: 522 total cpu time spent up to now is 116.1 secs Computing kpt #: 523 total cpu time spent up to now is 116.3 secs Computing kpt #: 524 total cpu time spent up to now is 116.5 secs Computing kpt #: 525 total cpu time spent up to now is 116.8 secs Computing kpt #: 526 total cpu time spent up to now is 117.0 secs Computing kpt #: 527 total cpu time spent up to now is 117.2 secs Computing kpt #: 528 total cpu time spent up to now is 117.4 secs Computing kpt #: 529 total cpu time spent up to now is 117.6 secs Computing kpt #: 530 total cpu time spent up to now is 117.8 secs Computing kpt #: 531 total cpu time spent up to now is 118.0 secs Computing kpt #: 532 total cpu time spent up to now is 118.3 secs Computing kpt #: 533 total cpu time spent up to now is 118.5 secs Computing kpt #: 534 total cpu time spent up to now is 118.7 secs Computing kpt #: 535 total cpu time spent up to now is 118.9 secs Computing kpt #: 536 total cpu time spent up to now is 119.1 secs ethr = 3.13E-08, avg # of iterations = 18.7 total cpu time spent up to now is 119.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -15.8460 -15.8460 -14.2415 -14.2415 -13.5138 -13.5138 -12.0912 -12.0912 -2.0664 -2.0664 -1.2984 -1.2984 -1.0005 -1.0005 0.3838 0.3838 2.5000 2.5000 2.6896 2.6896 3.2725 3.2725 3.5356 3.5356 3.9949 3.9949 4.4662 4.4662 4.5716 4.5716 5.2162 5.2162 6.5486 6.5486 7.3298 7.3298 7.6646 7.6646 8.3555 8.3555 k = 0.0064 0.0066-0.0000 ( 1785 PWs) bands (ev): -15.8452 -15.8452 -14.2410 -14.2410 -13.5135 -13.5135 -12.0917 -12.0917 -2.0683 -2.0683 -1.2991 -1.2991 -1.0009 -1.0009 0.3829 0.3829 2.4957 2.4957 2.6899 2.6899 3.2711 3.2711 3.5334 3.5334 3.9982 3.9982 4.4688 4.4688 4.5716 4.5716 5.2119 5.2119 6.5514 6.5514 7.3312 7.3312 7.6657 7.6657 8.3596 8.3596 k = 0.0128 0.0132-0.0000 ( 1781 PWs) bands (ev): -15.8428 -15.8428 -14.2394 -14.2394 -13.5127 -13.5127 -12.0932 -12.0932 -2.0739 -2.0739 -1.3011 -1.3011 -1.0021 -1.0021 0.3800 0.3800 2.4829 2.4829 2.6906 2.6906 3.2672 3.2672 3.5269 3.5269 4.0080 4.0080 4.4767 4.4767 4.5714 4.5714 5.1992 5.1992 6.5598 6.5598 7.3351 7.3351 7.6693 7.6693 8.3719 8.3719 k = 0.0192 0.0197-0.0000 ( 1785 PWs) bands (ev): -15.8388 -15.8388 -14.2367 -14.2367 -13.5114 -13.5114 -12.0958 -12.0958 -2.0833 -2.0833 -1.3045 -1.3045 -1.0040 -1.0040 0.3753 0.3753 2.4620 2.4620 2.6919 2.6919 3.2607 3.2607 3.5163 3.5163 4.0240 4.0240 4.4895 4.4895 4.5711 4.5711 5.1780 5.1780 6.5738 6.5738 7.3417 7.3417 7.6756 7.6756 8.3919 8.3919 k = 0.0256 0.0263-0.0000 ( 1783 PWs) bands (ev): -15.8333 -15.8333 -14.2329 -14.2329 -13.5095 -13.5095 -12.0994 -12.0994 -2.0964 -2.0964 -1.3091 -1.3091 -1.0068 -1.0068 0.3687 0.3687 2.4334 2.4334 2.6936 2.6936 3.2517 3.2517 3.5019 3.5019 4.0457 4.0457 4.5069 4.5069 4.5707 4.5707 5.1486 5.1486 6.5931 6.5931 7.3510 7.3510 7.6848 7.6848 8.4191 8.4191 k = 0.0320 0.0329-0.0000 ( 1779 PWs) bands (ev): -15.8261 -15.8261 -14.2281 -14.2281 -13.5071 -13.5071 -12.1040 -12.1040 -2.1132 -2.1132 -1.3151 -1.3151 -1.0103 -1.0103 0.3603 0.3603 2.3980 2.3980 2.6960 2.6960 3.2404 3.2404 3.4843 3.4843 4.0723 4.0723 4.5283 4.5283 4.5701 4.5701 5.1113 5.1113 6.6177 6.6177 7.3629 7.3629 7.6972 7.6972 8.4527 8.4527 k = 0.0384 0.0395-0.0000 ( 1777 PWs) bands (ev): -15.8174 -15.8174 -14.2222 -14.2222 -13.5042 -13.5042 -12.1096 -12.1096 -2.1334 -2.1334 -1.3222 -1.3222 -1.0146 -1.0146 0.3501 0.3501 2.3564 2.3564 2.6989 2.6989 3.2269 3.2269 3.4640 3.4640 4.1032 4.1032 4.5532 4.5532 4.5692 4.5692 5.0664 5.0664 6.6474 6.6474 7.3774 7.3774 7.7133 7.7133 8.4921 8.4921 k = 0.0448 0.0461-0.0000 ( 1773 PWs) bands (ev): -15.8071 -15.8071 -14.2153 -14.2153 -13.5008 -13.5008 -12.1163 -12.1163 -2.1570 -2.1570 -1.3305 -1.3305 -1.0198 -1.0198 0.3381 0.3381 2.3094 2.3094 2.7025 2.7025 3.2114 3.2114 3.4413 3.4413 4.1377 4.1377 4.5679 4.5679 4.5811 4.5811 5.0143 5.0143 6.6820 6.6820 7.3944 7.3944 7.7331 7.7331 8.5364 8.5364 k = 0.0512 0.0527-0.0000 ( 1775 PWs) bands (ev): -15.7952 -15.7952 -14.2073 -14.2073 -13.4969 -13.4969 -12.1239 -12.1239 -2.1840 -2.1840 -1.3400 -1.3400 -1.0259 -1.0259 0.3244 0.3244 2.2576 2.2576 2.7067 2.7067 3.1941 3.1941 3.4167 3.4167 4.1750 4.1750 4.5664 4.5664 4.6112 4.6112 4.9554 4.9554 6.7212 6.7212 7.4140 7.4140 7.7568 7.7568 8.5848 8.5848 k = 0.0576 0.0592-0.0000 ( 1783 PWs) bands (ev): -15.7818 -15.7818 -14.1983 -14.1983 -13.4925 -13.4925 -12.1325 -12.1325 -2.2140 -2.2140 -1.3504 -1.3504 -1.0328 -1.0328 0.3090 0.3090 2.2019 2.2019 2.7116 2.7116 3.1751 3.1751 3.3907 3.3907 4.2146 4.2146 4.5644 4.5644 4.6431 4.6431 4.8901 4.8901 6.7648 6.7648 7.4361 7.4361 7.7844 7.7844 8.6367 8.6367 k = 0.0640 0.0658-0.0000 ( 1783 PWs) bands (ev): -15.7669 -15.7669 -14.1883 -14.1883 -13.4876 -13.4876 -12.1420 -12.1420 -2.2471 -2.2471 -1.3618 -1.3618 -1.0406 -1.0406 0.2920 0.2920 2.1427 2.1427 2.7172 2.7172 3.1548 3.1548 3.3636 3.3636 4.2558 4.2558 4.5620 4.5620 4.6765 4.6765 4.8191 4.8191 6.8126 6.8126 7.4607 7.4607 7.8160 7.8160 8.6915 8.6915 k = 0.0704 0.0724-0.0000 ( 1783 PWs) bands (ev): -15.7504 -15.7504 -14.1772 -14.1772 -13.4822 -13.4822 -12.1524 -12.1524 -2.2830 -2.2830 -1.3740 -1.3740 -1.0494 -1.0494 0.2735 0.2735 2.0807 2.0807 2.7236 2.7236 3.1333 3.1333 3.3356 3.3356 4.2981 4.2981 4.5589 4.5589 4.7106 4.7106 4.7429 4.7429 6.8642 6.8642 7.4877 7.4877 7.8513 7.8513 8.7487 8.7487 k = 0.0768 0.0790-0.0000 ( 1783 PWs) bands (ev): -15.7324 -15.7324 -14.1652 -14.1652 -13.4764 -13.4764 -12.1638 -12.1638 -2.3215 -2.3215 -1.3870 -1.3870 -1.0591 -1.0591 0.2534 0.2534 2.0164 2.0164 2.7308 2.7308 3.1108 3.1108 3.3070 3.3070 4.3409 4.3409 4.5550 4.5550 4.6614 4.6614 4.7457 4.7457 6.9194 6.9194 7.5171 7.5171 7.8901 7.8901 8.8077 8.8077 k = 0.0832 0.0856-0.0000 ( 1783 PWs) bands (ev): -15.7128 -15.7128 -14.1522 -14.1522 -13.4701 -13.4701 -12.1761 -12.1761 -2.3625 -2.3625 -1.4007 -1.4007 -1.0698 -1.0698 0.2319 0.2319 1.9501 1.9501 2.7388 2.7388 3.0875 3.0875 3.2781 3.2781 4.3839 4.3839 4.5488 4.5488 4.5778 4.5778 4.7807 4.7807 6.9780 6.9780 7.5487 7.5487 7.9322 7.9322 8.8682 8.8682 k = 0.0896 0.0921-0.0000 ( 1781 PWs) bands (ev): -15.6918 -15.6918 -14.1382 -14.1382 -13.4634 -13.4634 -12.1892 -12.1892 -2.4059 -2.4059 -1.4149 -1.4149 -1.0815 -1.0815 0.2091 0.2091 1.8822 1.8822 2.7477 2.7477 3.0636 3.0636 3.2490 3.2490 4.4265 4.4265 4.4843 4.4843 4.5477 4.5477 4.8155 4.8155 7.0397 7.0397 7.5825 7.5825 7.9773 7.9773 8.9298 8.9298 k = 0.0960 0.0987-0.0000 ( 1779 PWs) bands (ev): -15.6693 -15.6693 -14.1233 -14.1233 -13.4562 -13.4562 -12.2032 -12.2032 -2.4514 -2.4514 -1.4295 -1.4295 -1.0942 -1.0942 0.1850 0.1850 1.8132 1.8132 2.7575 2.7575 3.0392 3.0392 3.2198 3.2198 4.3920 4.3920 4.4684 4.4684 4.5415 4.5415 4.8498 4.8498 7.1043 7.1043 7.6183 7.6183 8.0251 8.0251 8.9921 8.9921 k = 0.1024 0.1053-0.0000 ( 1781 PWs) bands (ev): -15.6454 -15.6454 -14.1074 -14.1074 -13.4487 -13.4487 -12.2180 -12.2180 -2.4988 -2.4988 -1.4445 -1.4445 -1.1080 -1.1080 0.1596 0.1596 1.7433 1.7433 2.7682 2.7682 3.0143 3.0143 3.1907 3.1907 4.2963 4.2963 4.5089 4.5089 4.5351 4.5351 4.8834 4.8834 7.1715 7.1715 7.6562 7.6562 8.0753 8.0753 9.0550 9.0550 k = 0.1088 0.1119-0.0000 ( 1773 PWs) bands (ev): -15.6199 -15.6199 -14.0906 -14.0906 -13.4408 -13.4408 -12.2335 -12.2335 -2.5480 -2.5480 -1.4597 -1.4597 -1.1228 -1.1228 0.1331 0.1331 1.6728 1.6728 2.7799 2.7799 2.9891 2.9891 3.1617 3.1617 4.1982 4.1982 4.5270 4.5270 4.5490 4.5490 4.9159 4.9159 7.2411 7.2411 7.6958 7.6958 8.1275 8.1275 9.1183 9.1183 k = 0.1152 0.1185-0.0000 ( 1773 PWs) bands (ev): -15.5931 -15.5931 -14.0730 -14.0730 -13.4325 -13.4325 -12.2498 -12.2498 -2.5989 -2.5989 -1.4750 -1.4750 -1.1388 -1.1388 0.1055 0.1055 1.6019 1.6019 2.7925 2.7925 2.9634 2.9634 3.1329 3.1329 4.0983 4.0983 4.5193 4.5193 4.5861 4.5861 4.9471 4.9471 7.3130 7.3130 7.7372 7.7372 8.1814 8.1814 9.1816 9.1816 k = 0.1216 0.1250-0.0000 ( 1773 PWs) bands (ev): -15.5649 -15.5649 -14.0544 -14.0544 -13.4239 -13.4239 -12.2669 -12.2669 -2.6511 -2.6511 -1.4903 -1.4903 -1.1558 -1.1558 0.0769 0.0769 1.5309 1.5309 2.8062 2.8062 2.9372 2.9372 3.1043 3.1043 3.9973 3.9973 4.5106 4.5106 4.6213 4.6213 4.9767 4.9767 7.3870 7.3870 7.7801 7.7801 8.2366 8.2366 9.2449 9.2449 k = 0.1280 0.1316-0.0000 ( 1775 PWs) bands (ev): -15.5352 -15.5352 -14.0351 -14.0351 -13.4149 -13.4149 -12.2846 -12.2846 -2.7047 -2.7047 -1.5054 -1.5054 -1.1740 -1.1740 0.0474 0.0474 1.4600 1.4600 2.8208 2.8208 2.9101 2.9101 3.0761 3.0761 3.8958 3.8958 4.5011 4.5011 4.6540 4.6540 5.0046 5.0046 7.4629 7.4629 7.8244 7.8244 8.2930 8.2930 9.3081 9.3081 k = 0.1344 0.1382-0.0000 ( 1771 PWs) bands (ev): -15.5042 -15.5042 -14.0149 -14.0149 -13.4056 -13.4056 -12.3030 -12.3030 -2.7593 -2.7593 -1.5203 -1.5203 -1.1933 -1.1933 0.0171 0.0171 1.3894 1.3894 2.8362 2.8362 2.8819 2.8819 3.0482 3.0482 3.7949 3.7949 4.4908 4.4908 4.6839 4.6839 5.0304 5.0304 7.5406 7.5406 7.8700 7.8700 8.3500 8.3500 9.3710 9.3710 k = 0.1408 0.1448-0.0000 ( 1771 PWs) bands (ev): -15.4719 -15.4719 -13.9939 -13.9939 -13.3961 -13.3961 -12.3220 -12.3220 -2.8149 -2.8149 -1.5349 -1.5349 -1.2137 -1.2137 -0.0141 -0.0141 1.3192 1.3192 2.8456 2.8456 2.8585 2.8585 3.0207 3.0207 3.6956 3.6956 4.4799 4.4799 4.7107 4.7107 5.0540 5.0540 7.6200 7.6200 7.9166 7.9166 8.4076 8.4076 9.4335 9.4335 k = 0.1472 0.1514-0.0000 ( 1771 PWs) bands (ev): -15.4383 -15.4383 -13.9722 -13.9722 -13.3863 -13.3863 -12.3417 -12.3417 -2.8713 -2.8713 -1.5489 -1.5489 -1.2351 -1.2351 -0.0459 -0.0459 1.2496 1.2496 2.8157 2.8157 2.8724 2.8724 2.9936 2.9936 3.5993 3.5993 4.4684 4.4684 4.7341 4.7341 5.0752 5.0752 7.7008 7.7008 7.9641 7.9641 8.4653 8.4653 9.4956 9.4956 k = 0.1536 0.1580-0.0000 ( 1774 PWs) bands (ev): -15.4034 -15.4034 -13.9498 -13.9498 -13.3763 -13.3763 -12.3618 -12.3618 -2.9284 -2.9284 -1.5624 -1.5624 -1.2577 -1.2577 -0.0784 -0.0784 1.1808 1.1808 2.7776 2.7776 2.8909 2.8909 2.9669 2.9669 3.5078 3.5078 4.4563 4.4563 4.7538 4.7538 5.0938 5.0938 7.7831 7.7831 8.0123 8.0123 8.5229 8.5229 9.5571 9.5571 k = 0.1600 0.1645-0.0000 ( 1782 PWs) bands (ev): -15.3673 -15.3673 -13.9266 -13.9266 -13.3660 -13.3660 -12.3825 -12.3825 -2.9860 -2.9860 -1.5751 -1.5751 -1.2813 -1.2813 -0.1114 -0.1114 1.1129 1.1129 2.7329 2.7329 2.9106 2.9106 2.9407 2.9407 3.4230 3.4230 4.4438 4.4438 4.7697 4.7697 5.1096 5.1096 7.8667 7.8667 8.0609 8.0609 8.5802 8.5802 9.6181 9.6181 k = 0.1664 0.1711-0.0000 ( 1786 PWs) bands (ev): -15.3299 -15.3299 -13.9028 -13.9028 -13.3555 -13.3555 -12.4037 -12.4037 -3.0440 -3.0440 -1.5870 -1.5870 -1.3060 -1.3060 -0.1450 -0.1450 1.0461 1.0461 2.6798 2.6798 2.9145 2.9145 2.9317 2.9317 3.3471 3.3471 4.4309 4.4309 4.7814 4.7814 5.1224 5.1224 7.9514 7.9514 8.1099 8.1099 8.6369 8.6369 9.6785 9.6785 k = 0.1728 0.1777-0.0000 ( 1786 PWs) bands (ev): -15.2913 -15.2913 -13.8783 -13.8783 -13.3449 -13.3449 -12.4253 -12.4253 -3.1023 -3.1023 -1.5980 -1.5980 -1.3316 -1.3316 -0.1789 -0.1789 0.9804 0.9804 2.6169 2.6169 2.8892 2.8892 2.9533 2.9533 3.2821 3.2821 4.4177 4.4177 4.7889 4.7889 5.1322 5.1322 8.0374 8.0374 8.1589 8.1589 8.6928 8.6928 9.7382 9.7382 k = 0.1793 0.1843-0.0000 ( 1786 PWs) bands (ev): -15.2517 -15.2517 -13.8533 -13.8533 -13.3341 -13.3341 -12.4473 -12.4473 -3.1607 -3.1607 -1.6080 -1.6080 -1.3582 -1.3582 -0.2133 -0.2133 0.9160 0.9160 2.5433 2.5433 2.8642 2.8642 2.9758 2.9758 3.2288 3.2288 4.4043 4.4043 4.7920 4.7920 5.1387 5.1387 8.1243 8.1243 8.2079 8.2079 8.7477 8.7477 9.7973 9.7973 k = 0.1857 0.1909-0.0000 ( 1786 PWs) bands (ev): -15.2109 -15.2109 -13.8277 -13.8277 -13.3232 -13.3232 -12.4696 -12.4696 -3.2192 -3.2192 -1.6169 -1.6169 -1.3857 -1.3857 -0.2479 -0.2479 0.8530 0.8530 2.4594 2.4594 2.8397 2.8397 2.9992 2.9992 3.1871 3.1871 4.3909 4.3909 4.7906 4.7906 5.1419 5.1419 8.2121 8.2121 8.2566 8.2566 8.8014 8.8014 9.8555 9.8555 k = 0.1921 0.1974-0.0000 ( 1786 PWs) bands (ev): -15.1690 -15.1690 -13.8015 -13.8015 -13.3123 -13.3123 -12.4923 -12.4923 -3.2775 -3.2775 -1.6245 -1.6245 -1.4140 -1.4140 -0.2828 -0.2828 0.7914 0.7914 2.3663 2.3663 2.8155 2.8155 3.0232 3.0232 3.1560 3.1560 4.3777 4.3777 4.7845 4.7845 5.1416 5.1416 8.2999 8.2999 8.3057 8.3057 8.8538 8.8538 9.9131 9.9131 k = 0.1985 0.2040-0.0000 ( 1786 PWs) bands (ev): -15.1261 -15.1261 -13.7749 -13.7749 -13.3012 -13.3012 -12.5153 -12.5153 -3.3358 -3.3358 -1.6309 -1.6309 -1.4431 -1.4431 -0.3178 -0.3178 0.7314 0.7314 2.2658 2.2658 2.7918 2.7918 3.0476 3.0476 3.1342 3.1342 4.3648 4.3648 4.7737 4.7737 5.1377 5.1377 8.3518 8.3518 8.3907 8.3907 8.9046 8.9046 9.9697 9.9697 k = 0.2049 0.2106-0.0000 ( 1786 PWs) bands (ev): -15.0822 -15.0822 -13.7478 -13.7478 -13.2900 -13.2900 -12.5385 -12.5385 -3.3937 -3.3937 -1.6359 -1.6359 -1.4730 -1.4730 -0.3530 -0.3530 0.6731 0.6731 2.1594 2.1594 2.7686 2.7686 3.0721 3.0721 3.1204 3.1204 4.3523 4.3523 4.7581 4.7581 5.1302 5.1302 8.3984 8.3984 8.4808 8.4808 8.9539 8.9539 10.0255 10.0255 k = 0.2113 0.2172-0.0000 ( 1794 PWs) bands (ev): -15.0374 -15.0374 -13.7203 -13.7203 -13.2789 -13.2789 -12.5619 -12.5619 -3.4513 -3.4513 -1.6394 -1.6394 -1.5036 -1.5036 -0.3882 -0.3882 0.6166 0.6166 2.0485 2.0485 2.7457 2.7457 3.0945 3.0945 3.1153 3.1153 4.3405 4.3405 4.7379 4.7379 5.1189 5.1189 8.4438 8.4438 8.5715 8.5715 9.0013 9.0013 10.0804 10.0804 k = 0.2177 0.2238-0.0000 ( 1798 PWs) bands (ev): -14.9917 -14.9917 -13.6925 -13.6925 -13.2677 -13.2677 -12.5855 -12.5855 -3.5085 -3.5085 -1.6413 -1.6413 -1.5347 -1.5347 -0.4235 -0.4235 0.5618 0.5618 1.9342 1.9342 2.7233 2.7233 3.1036 3.1036 3.1288 3.1288 4.3297 4.3297 4.7129 4.7129 5.1039 5.1039 8.4879 8.4879 8.6626 8.6626 9.0470 9.0470 10.1343 10.1343 k = 0.2241 0.2304-0.0000 ( 1798 PWs) bands (ev): -14.9452 -14.9452 -13.6643 -13.6643 -13.2566 -13.2566 -12.6092 -12.6092 -3.5651 -3.5651 -1.6417 -1.6417 -1.5663 -1.5663 -0.4587 -0.4587 0.5090 0.5090 1.8176 1.8176 2.7013 2.7013 3.1068 3.1068 3.1527 3.1527 4.3200 4.3200 4.6833 4.6833 5.0850 5.0850 8.5305 8.5305 8.7542 8.7542 9.0908 9.0908 10.1871 10.1871 k = 0.2305 0.2369-0.0000 ( 1804 PWs) bands (ev): -14.8979 -14.8979 -13.6359 -13.6359 -13.2455 -13.2455 -12.6330 -12.6330 -3.6212 -3.6212 -1.6404 -1.6404 -1.5984 -1.5984 -0.4938 -0.4938 0.4582 0.4582 1.6992 1.6992 2.6797 2.6797 3.1124 3.1124 3.1776 3.1776 4.3117 4.3117 4.6492 4.6492 5.0623 5.0623 8.5714 8.5714 8.8459 8.8459 9.1326 9.1326 10.2389 10.2389 k = 0.2369 0.2435-0.0000 ( 1792 PWs) bands (ev): -14.8498 -14.8498 -13.6071 -13.6071 -13.2344 -13.2344 -12.6568 -12.6568 -3.6766 -3.6766 -1.6377 -1.6377 -1.6306 -1.6306 -0.5287 -0.5287 0.4094 0.4094 1.5797 1.5797 2.6586 2.6586 3.1211 3.1211 3.2023 3.2023 4.3052 4.3052 4.6106 4.6106 5.0358 5.0358 8.6105 8.6105 8.9378 8.9378 9.1725 9.1725 10.2895 10.2895 k = 0.2433 0.2501-0.0000 ( 1796 PWs) bands (ev): -14.8011 -14.8011 -13.5782 -13.5782 -13.2234 -13.2234 -12.6806 -12.6806 -3.7312 -3.7312 -1.6638 -1.6638 -1.6324 -1.6324 -0.5634 -0.5634 0.3628 0.3628 1.4594 1.4594 2.6379 2.6379 3.1326 3.1326 3.2264 3.2264 4.3007 4.3007 4.5676 4.5676 5.0055 5.0055 8.6475 8.6475 9.0297 9.0297 9.2104 9.2104 10.3388 10.3388 k = 0.2497 0.2567-0.0000 ( 1794 PWs) bands (ev): -14.7518 -14.7518 -13.5492 -13.5492 -13.2126 -13.2126 -12.7044 -12.7044 -3.7851 -3.7851 -1.6967 -1.6967 -1.6258 -1.6258 -0.5979 -0.5979 0.3183 0.3183 1.3387 1.3387 2.6177 2.6177 3.1465 3.1465 3.2495 3.2495 4.2984 4.2984 4.5205 4.5205 4.9714 4.9714 8.6824 8.6824 9.1215 9.1215 9.2462 9.2462 10.3868 10.3868 k = 0.2561 0.2633-0.0000 ( 1794 PWs) bands (ev): -14.7019 -14.7019 -13.5201 -13.5201 -13.2018 -13.2018 -12.7282 -12.7282 -3.8380 -3.8380 -1.7299 -1.7299 -1.6173 -1.6173 -0.6321 -0.6321 0.2760 0.2760 1.2179 1.2179 2.5979 2.5979 3.1629 3.1629 3.2712 3.2712 4.2989 4.2989 4.4693 4.4693 4.9335 4.9335 8.7150 8.7150 9.2130 9.2130 9.2801 9.2801 10.4334 10.4334 k = 0.2625 0.2698-0.0000 ( 1792 PWs) bands (ev): -14.6516 -14.6516 -13.4909 -13.4909 -13.1912 -13.1912 -12.7518 -12.7518 -3.8901 -3.8901 -1.7630 -1.7630 -1.6069 -1.6069 -0.6660 -0.6660 0.2360 0.2360 1.0973 1.0973 2.5785 2.5785 3.1812 3.1812 3.2913 3.2913 4.3024 4.3024 4.4143 4.4143 4.8920 4.8920 8.7452 8.7452 9.3042 9.3042 9.3120 9.3120 10.4785 10.4785 k = 0.2689 0.2764-0.0000 ( 1792 PWs) bands (ev): -14.6009 -14.6009 -13.4617 -13.4617 -13.1807 -13.1807 -12.7753 -12.7753 -3.9412 -3.9412 -1.7962 -1.7962 -1.5945 -1.5945 -0.6995 -0.6995 0.1984 0.1984 0.9771 0.9771 2.5596 2.5596 3.2015 3.2015 3.3095 3.3095 4.3092 4.3092 4.3557 4.3557 4.8468 4.8468 8.7728 8.7728 9.3420 9.3420 9.3949 9.3949 10.5221 10.5221 k = 0.2753 0.2830-0.0000 ( 1788 PWs) bands (ev): -14.5498 -14.5498 -13.4325 -13.4325 -13.1704 -13.1704 -12.7986 -12.7986 -3.9913 -3.9913 -1.8293 -1.8293 -1.5802 -1.5802 -0.7325 -0.7325 0.1631 0.1631 0.8575 0.8575 2.5412 2.5412 3.2235 3.2235 3.3256 3.3256 4.2936 4.2936 4.3196 4.3196 4.7982 4.7982 8.7977 8.7977 9.3700 9.3700 9.4850 9.4850 10.5641 10.5641 k = 0.2817 0.2896-0.0000 ( 1788 PWs) bands (ev): -14.4985 -14.4985 -13.4035 -13.4035 -13.1603 -13.1603 -12.8216 -12.8216 -4.0404 -4.0404 -1.8622 -1.8622 -1.5640 -1.5640 -0.7651 -0.7651 0.1302 0.1302 0.7387 0.7387 2.5232 2.5232 3.2471 3.2471 3.3392 3.3392 4.2283 4.2283 4.3336 4.3336 4.7461 4.7461 8.8199 8.8199 9.3963 9.3963 9.5744 9.5744 10.6044 10.6044 k = 0.2881 0.2962-0.0000 ( 1784 PWs) bands (ev): -14.4469 -14.4469 -13.3746 -13.3746 -13.1504 -13.1504 -12.8445 -12.8445 -4.0883 -4.0883 -1.8949 -1.8949 -1.5458 -1.5458 -0.7972 -0.7972 0.0998 0.0998 0.6210 0.6210 2.5057 2.5057 3.2720 3.2720 3.3504 3.3504 4.1599 4.1599 4.3516 4.3516 4.6908 4.6908 8.8392 8.8392 9.4207 9.4207 9.6629 9.6629 10.6429 10.6429 k = 0.2945 0.3027-0.0000 ( 1784 PWs) bands (ev): -14.3953 -14.3953 -13.3459 -13.3459 -13.1407 -13.1407 -12.8670 -12.8670 -4.1352 -4.1352 -1.9273 -1.9273 -1.5256 -1.5256 -0.8287 -0.8287 0.0718 0.0718 0.5043 0.5043 2.4887 2.4887 3.2981 3.2981 3.3591 3.3591 4.0888 4.0888 4.3735 4.3735 4.6323 4.6323 8.8556 8.8556 9.4433 9.4433 9.7505 9.7505 10.6797 10.6797 k = 0.3009 0.3093-0.0000 ( 1788 PWs) bands (ev): -14.3437 -14.3437 -13.3174 -13.3174 -13.1313 -13.1313 -12.8892 -12.8892 -4.1808 -4.1808 -1.9593 -1.9593 -1.5035 -1.5035 -0.8597 -0.8597 0.0464 0.0464 0.3890 0.3890 2.4723 2.4723 3.3251 3.3251 3.3655 3.3655 4.0152 4.0152 4.3993 4.3993 4.5708 4.5708 8.8690 8.8690 9.4643 9.4643 9.8369 9.8369 10.7146 10.7146 k = 0.3073 0.3159-0.0000 ( 1790 PWs) bands (ev): -14.2922 -14.2922 -13.2892 -13.2892 -13.1221 -13.1221 -12.9111 -12.9111 -4.2252 -4.2252 -1.9908 -1.9908 -1.4795 -1.4795 -0.8900 -0.8900 0.0235 0.0235 0.2752 0.2752 2.4563 2.4563 3.3523 3.3523 3.3702 3.3702 3.9392 3.9392 4.4288 4.4288 4.5065 4.5065 8.8794 8.8794 9.4837 9.4837 9.9221 9.9221 10.7477 10.7477 k = 0.3137 0.3225-0.0000 ( 1790 PWs) bands (ev): -14.2408 -14.2408 -13.2614 -13.2614 -13.1131 -13.1131 -12.9325 -12.9325 -4.2684 -4.2684 -2.0219 -2.0219 -1.4535 -1.4535 -0.9197 -0.9197 0.0031 0.0031 0.1630 0.1630 2.4409 2.4409 3.3676 3.3676 3.3853 3.3853 3.8612 3.8612 4.4396 4.4396 4.4619 4.4619 8.8869 8.8869 9.5016 9.5016 10.0060 10.0060 10.7789 10.7789 k = 0.3201 0.3291-0.0000 ( 1790 PWs) bands (ev): -14.1897 -14.1897 -13.2340 -13.2340 -13.1044 -13.1044 -12.9536 -12.9536 -4.3104 -4.3104 -2.0523 -2.0523 -1.4257 -1.4257 -0.9487 -0.9487 -0.0147 -0.0147 0.0526 0.0526 2.4260 2.4260 3.3681 3.3681 3.4138 3.4138 3.7814 3.7814 4.3702 4.3702 4.4984 4.4984 8.8913 8.8913 9.5180 9.5180 10.0885 10.0885 10.8082 10.8082 k = 0.3265 0.3357-0.0000 ( 1784 PWs) bands (ev): -14.1389 -14.1389 -13.2070 -13.2070 -13.0960 -13.0960 -12.9741 -12.9741 -4.3510 -4.3510 -2.0822 -2.0822 -1.3961 -1.3961 -0.9769 -0.9769 -0.0559 -0.0559 -0.0300 -0.0300 2.4117 2.4117 3.3657 3.3657 3.4438 3.4438 3.7000 3.7000 4.2986 4.2986 4.5380 4.5380 8.8927 8.8927 9.5331 9.5331 10.1694 10.1694 10.8357 10.8357 k = 0.3329 0.3422-0.0000 ( 1786 PWs) bands (ev): -14.0886 -14.0886 -13.1804 -13.1804 -13.0879 -13.0879 -12.9943 -12.9943 -4.3903 -4.3903 -2.1113 -2.1113 -1.3648 -1.3648 -1.0044 -1.0044 -0.1622 -0.1622 -0.0427 -0.0427 2.3980 2.3980 3.3615 3.3615 3.4744 3.4744 3.6173 3.6173 4.2248 4.2248 4.5803 4.5803 8.8912 8.8912 9.5468 9.5468 10.2486 10.2486 10.8612 10.8612 k = 0.3393 0.3488-0.0000 ( 1790 PWs) bands (ev): -14.0389 -14.0389 -13.1545 -13.1545 -13.0800 -13.0800 -13.0139 -13.0139 -4.4283 -4.4283 -2.1397 -2.1397 -1.3318 -1.3318 -1.0311 -1.0311 -0.2664 -0.2664 -0.0529 -0.0529 2.3849 2.3849 3.3558 3.3558 3.5053 3.5053 3.5336 3.5336 4.1493 4.1493 4.6251 4.6251 8.8868 8.8868 9.5592 9.5592 10.3260 10.3260 10.8848 10.8848 k = 0.3457 0.3554-0.0000 ( 1790 PWs) bands (ev): -13.9898 -13.9898 -13.1291 -13.1291 -13.0725 -13.0725 -13.0329 -13.0329 -4.4650 -4.4650 -2.1673 -2.1673 -1.2971 -1.2971 -1.0571 -1.0571 -0.3681 -0.3681 -0.0605 -0.0605 2.3725 2.3725 3.3489 3.3489 3.4490 3.4490 3.5366 3.5366 4.0721 4.0721 4.6721 4.6721 8.8795 8.8795 9.5705 9.5705 10.4016 10.4016 10.9066 10.9066 k = 0.3521 0.3620-0.0000 ( 1798 PWs) bands (ev): -13.9415 -13.9415 -13.1043 -13.1043 -13.0652 -13.0652 -13.0514 -13.0514 -4.5002 -4.5002 -2.1940 -2.1940 -1.2610 -1.2610 -1.0821 -1.0821 -0.4673 -0.4673 -0.0657 -0.0657 2.3607 2.3607 3.3408 3.3408 3.3641 3.3641 3.5677 3.5677 3.9935 3.9935 4.7209 4.7209 8.8696 8.8696 9.5807 9.5807 10.4752 10.4752 10.9266 10.9266 k = 0.3585 0.3686-0.0000 ( 1798 PWs) bands (ev): -13.8941 -13.8941 -13.0802 -13.0802 -13.0693 -13.0693 -13.0583 -13.0583 -4.5341 -4.5341 -2.2199 -2.2199 -1.2235 -1.2235 -1.1063 -1.1063 -0.5639 -0.5639 -0.0684 -0.0684 2.3496 2.3496 3.2781 3.2781 3.3326 3.3326 3.5987 3.5987 3.9139 3.9139 4.7713 4.7713 8.8571 8.8571 9.5899 9.5899 10.5467 10.5467 10.9448 10.9448 k = 0.3649 0.3751-0.0000 ( 1798 PWs) bands (ev): -13.8477 -13.8477 -13.0866 -13.0866 -13.0569 -13.0569 -13.0516 -13.0516 -4.5665 -4.5665 -2.2448 -2.2448 -1.1848 -1.1848 -1.1295 -1.1295 -0.6575 -0.6575 -0.0687 -0.0687 2.3392 2.3392 3.1928 3.1928 3.3234 3.3234 3.6296 3.6296 3.8334 3.8334 4.8229 4.8229 8.8421 8.8421 9.5982 9.5982 10.6161 10.6161 10.9613 10.9613 k = 0.3713 0.3817-0.0000 ( 1798 PWs) bands (ev): -13.8024 -13.8024 -13.1033 -13.1033 -13.0453 -13.0453 -13.0343 -13.0343 -4.5975 -4.5975 -2.2687 -2.2687 -1.1533 -1.1533 -1.1436 -1.1436 -0.7482 -0.7482 -0.0667 -0.0667 2.3296 2.3296 3.1076 3.1076 3.3138 3.3138 3.6600 3.6600 3.7522 3.7522 4.8755 4.8755 8.8248 8.8248 9.6056 9.6056 10.6832 10.6832 10.9762 10.9762 k = 0.3777 0.3883-0.0000 ( 1794 PWs) bands (ev): -13.7583 -13.7583 -13.1193 -13.1193 -13.0393 -13.0393 -13.0125 -13.0125 -4.6271 -4.6271 -2.2915 -2.2915 -1.1737 -1.1737 -1.1038 -1.1038 -0.8358 -0.8358 -0.0624 -0.0624 2.3208 2.3208 3.0228 3.0228 3.3040 3.3040 3.6704 3.6704 3.6903 3.6903 4.9287 4.9287 8.8054 8.8054 9.6122 9.6122 10.7480 10.7480 10.9895 10.9895 k = 0.3841 0.3949-0.0000 ( 1794 PWs) bands (ev): -13.7155 -13.7155 -13.1346 -13.1346 -13.0336 -13.0336 -12.9915 -12.9915 -4.6552 -4.6552 -2.3134 -2.3134 -1.1942 -1.1942 -1.0622 -1.0622 -0.9201 -0.9201 -0.0560 -0.0560 2.3129 2.3129 2.9389 2.9389 3.2940 3.2940 3.5891 3.5891 3.7194 3.7194 4.9822 4.9822 8.7842 8.7842 9.6180 9.6180 10.8104 10.8104 11.0013 11.0013 k = 0.3905 0.4015-0.0000 ( 1788 PWs) bands (ev): -13.6742 -13.6742 -13.1492 -13.1492 -13.0282 -13.0282 -12.9715 -12.9715 -4.6818 -4.6818 -2.3341 -2.3341 -1.2137 -1.2137 -1.0201 -1.0201 -1.0009 -1.0009 -0.0475 -0.0475 2.3059 2.3059 2.8561 2.8561 3.2841 3.2841 3.5078 3.5078 3.7480 3.7480 5.0359 5.0359 8.7612 8.7612 9.6231 9.6231 10.8703 10.8703 11.0117 11.0117 k = 0.3969 0.4081-0.0000 ( 1788 PWs) bands (ev): -13.6345 -13.6345 -13.1630 -13.1630 -13.0231 -13.0231 -12.9523 -12.9523 -4.7070 -4.7070 -2.3537 -2.3537 -1.2322 -1.2322 -1.0784 -1.0784 -0.9774 -0.9774 -0.0370 -0.0370 2.2998 2.2998 2.7746 2.7746 3.2742 3.2742 3.4270 3.4270 3.7757 3.7757 5.0892 5.0892 8.7369 8.7369 9.6277 9.6277 10.9277 10.9277 11.0208 11.0208 k = 0.4033 0.4146-0.0000 ( 1790 PWs) bands (ev): -13.5965 -13.5965 -13.1762 -13.1762 -13.0184 -13.0184 -12.9342 -12.9342 -4.7307 -4.7307 -2.3721 -2.3721 -1.2497 -1.2497 -1.1520 -1.1520 -0.9347 -0.9347 -0.0248 -0.0248 2.2948 2.2948 2.6948 2.6948 3.2646 3.2646 3.3471 3.3471 3.8025 3.8025 5.1419 5.1419 8.7113 8.7113 9.6316 9.6316 10.9824 10.9824 11.0287 11.0287 k = 0.4097 0.4212-0.0000 ( 1786 PWs) bands (ev): -13.5603 -13.5603 -13.1885 -13.1885 -13.0139 -13.0139 -12.9170 -12.9170 -4.7529 -4.7529 -2.3894 -2.3894 -1.2662 -1.2662 -1.2217 -1.2217 -0.8922 -0.8922 -0.0110 -0.0110 2.2909 2.2909 2.6171 2.6171 3.2551 3.2551 3.2684 3.2684 3.8281 3.8281 5.1937 5.1937 8.6849 8.6849 9.6351 9.6351 11.0342 11.0342 11.0359 11.0359 k = 0.4161 0.4278-0.0000 ( 1782 PWs) bands (ev): -13.5259 -13.5259 -13.2001 -13.2001 -13.0098 -13.0098 -12.9009 -12.9009 -4.7736 -4.7736 -2.4055 -2.4055 -1.2879 -1.2879 -1.2811 -1.2811 -0.8501 -0.8501 0.0041 0.0041 2.2882 2.2882 2.5417 2.5417 3.1908 3.1908 3.2464 3.2464 3.8526 3.8526 5.2444 5.2444 8.6580 8.6580 9.6381 9.6381 11.0412 11.0412 11.0841 11.0841 k = 0.4225 0.4344-0.0000 ( 1778 PWs) bands (ev): -13.4936 -13.4936 -13.2110 -13.2110 -13.0060 -13.0060 -12.8858 -12.8858 -4.7928 -4.7928 -2.4204 -2.4204 -1.3492 -1.3492 -1.2958 -1.2958 -0.8088 -0.8088 0.0205 0.0205 2.2869 2.2869 2.4691 2.4691 3.1153 3.1153 3.2379 3.2379 3.8757 3.8757 5.2934 5.2934 8.6308 8.6308 9.6406 9.6406 11.0461 11.0461 11.1309 11.1309 k = 0.4289 0.4410-0.0000 ( 1782 PWs) bands (ev): -13.4635 -13.4635 -13.2210 -13.2210 -13.0025 -13.0025 -12.8718 -12.8718 -4.8105 -4.8105 -2.4340 -2.4340 -1.4066 -1.4066 -1.3090 -1.3090 -0.7686 -0.7686 0.0377 0.0377 2.2869 2.2869 2.3996 2.3996 3.0418 3.0418 3.2298 3.2298 3.8974 3.8974 5.3405 5.3405 8.6038 8.6038 9.6428 9.6428 11.0501 11.0501 11.1748 11.1748 k = 0.4353 0.4475-0.0000 ( 1786 PWs) bands (ev): -13.4355 -13.4355 -13.2301 -13.2301 -12.9993 -12.9993 -12.8589 -12.8589 -4.8267 -4.8267 -2.4464 -2.4464 -1.4595 -1.4595 -1.3212 -1.3212 -0.7299 -0.7299 0.0555 0.0555 2.2883 2.2883 2.3339 2.3339 2.9708 2.9708 3.2223 3.2223 3.9176 3.9176 5.3854 5.3854 8.5773 8.5773 9.6447 9.6447 11.0533 11.0533 11.2160 11.2160 k = 0.4417 0.4541-0.0000 ( 1786 PWs) bands (ev): -13.4099 -13.4099 -13.2385 -13.2385 -12.9964 -12.9964 -12.8471 -12.8471 -4.8414 -4.8414 -2.4576 -2.4576 -1.5080 -1.5080 -1.3322 -1.3322 -0.6930 -0.6930 0.0735 0.0735 2.2706 2.2706 2.2931 2.2931 2.9025 2.9025 3.2154 3.2154 3.9362 3.9362 5.4275 5.4275 8.5516 8.5516 9.6464 9.6464 11.0559 11.0559 11.2544 11.2544 k = 0.4481 0.4607-0.0000 ( 1786 PWs) bands (ev): -13.3866 -13.3866 -13.2460 -13.2460 -12.9938 -12.9938 -12.8365 -12.8365 -4.8546 -4.8546 -2.4676 -2.4676 -1.5518 -1.5518 -1.3422 -1.3422 -0.6585 -0.6585 0.0914 0.0914 2.2137 2.2137 2.2977 2.2977 2.8373 2.8373 3.2091 3.2091 3.9531 3.9531 5.4666 5.4666 8.5272 8.5272 9.6477 9.6477 11.0580 11.0580 11.2899 11.2899 k = 0.4545 0.4673-0.0000 ( 1784 PWs) bands (ev): -13.3659 -13.3659 -13.2527 -13.2527 -12.9915 -12.9915 -12.8271 -12.8271 -4.8662 -4.8662 -2.4764 -2.4764 -1.5909 -1.5909 -1.3509 -1.3509 -0.6266 -0.6266 0.1087 0.1087 2.1613 2.1613 2.3050 2.3050 2.7755 2.7755 3.2034 3.2034 3.9682 3.9682 5.5024 5.5024 8.5044 8.5044 9.6488 9.6488 11.0596 11.0596 11.3225 11.3225 k = 0.4609 0.4739-0.0000 ( 1788 PWs) bands (ev): -13.3477 -13.3477 -13.2585 -13.2585 -12.9896 -12.9896 -12.8189 -12.8189 -4.8763 -4.8763 -2.4840 -2.4840 -1.6250 -1.6250 -1.3586 -1.3586 -0.5978 -0.5978 0.1251 0.1251 2.1142 2.1142 2.3147 2.3147 2.7173 2.7173 3.1985 3.1985 3.9815 3.9815 5.5343 5.5343 8.4837 8.4837 9.6497 9.6497 11.0609 11.0609 11.3520 11.3520 k = 0.4673 0.4804-0.0000 ( 1784 PWs) bands (ev): -13.3322 -13.3322 -13.2634 -13.2634 -12.9879 -12.9879 -12.8119 -12.8119 -4.8849 -4.8849 -2.4903 -2.4903 -1.6542 -1.6542 -1.3651 -1.3651 -0.5726 -0.5726 0.1400 0.1400 2.0732 2.0732 2.3268 2.3268 2.6631 2.6631 3.1942 3.1942 3.9929 3.9929 5.5622 5.5622 8.4654 8.4654 9.6504 9.6504 11.0618 11.0618 11.3780 11.3780 k = 0.4737 0.4870-0.0000 ( 1784 PWs) bands (ev): -13.3193 -13.3193 -13.2675 -13.2675 -12.9865 -12.9865 -12.8062 -12.8062 -4.8919 -4.8919 -2.4956 -2.4956 -1.6783 -1.6783 -1.3705 -1.3705 -0.5512 -0.5512 0.1530 0.1530 2.0385 2.0385 2.3415 2.3415 2.6131 2.6131 3.1907 3.1907 4.0024 4.0024 5.5856 5.5856 8.4498 8.4498 9.6509 9.6509 11.0625 11.0625 11.3987 11.3987 k = 0.4801 0.4936-0.0000 ( 1784 PWs) bands (ev): -13.3092 -13.3092 -13.2707 -13.2707 -12.9854 -12.9854 -12.8017 -12.8017 -4.8975 -4.8975 -2.4996 -2.4996 -1.6973 -1.6973 -1.3746 -1.3746 -0.5341 -0.5341 0.1638 0.1638 2.0108 2.0108 2.3589 2.3589 2.5677 2.5677 3.1880 3.1880 4.0098 4.0098 5.6042 5.6042 8.4372 8.4372 9.6513 9.6513 11.0630 11.0630 11.4063 11.4063 k = 0.4865 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.3019 -13.3019 -13.2730 -13.2730 -12.9847 -12.9847 -12.7984 -12.7984 -4.9015 -4.9015 -2.5025 -2.5025 -1.7111 -1.7111 -1.3777 -1.3777 -0.5215 -0.5215 0.1718 0.1718 1.9905 1.9905 2.3786 2.3786 2.5275 2.5275 3.1859 3.1859 4.0152 4.0152 5.6179 5.6179 8.4280 8.4280 9.6516 9.6516 11.0633 11.0633 11.4086 11.4086 k = 0.4865 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.3019 -13.3019 -13.2730 -13.2730 -12.9847 -12.9847 -12.7984 -12.7984 -4.9015 -4.9015 -2.5025 -2.5025 -1.7111 -1.7111 -1.3777 -1.3777 -0.5215 -0.5215 0.1718 0.1718 1.9905 1.9905 2.3786 2.3786 2.5275 2.5275 3.1859 3.1859 4.0152 4.0152 5.6179 5.6179 8.4280 8.4280 9.6516 9.6516 11.0633 11.0633 11.4086 11.4086 k = 0.4774 0.5002-0.0000 ( 1786 PWs) bands (ev): -13.3066 -13.3066 -13.2724 -13.2724 -12.9853 -12.9853 -12.8006 -12.8006 -4.8978 -4.8978 -2.5014 -2.5014 -1.7015 -1.7015 -1.3761 -1.3761 -0.5282 -0.5282 0.1671 0.1671 2.0044 2.0044 2.3642 2.3642 2.5550 2.5550 3.1878 3.1878 4.0121 4.0121 5.6089 5.6089 8.4342 8.4342 9.6518 9.6518 11.0626 11.0626 11.4068 11.4068 k = 0.4682 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.3123 -13.3123 -13.2733 -13.2733 -12.9865 -12.9865 -12.8033 -12.8033 -4.8914 -4.8914 -2.5013 -2.5013 -1.6882 -1.6882 -1.3748 -1.3748 -0.5341 -0.5341 0.1623 0.1623 2.0229 2.0229 2.3498 2.3498 2.5852 2.5852 3.1911 3.1911 4.0090 4.0090 5.5976 5.5976 8.4421 8.4421 9.6525 9.6525 11.0607 11.0607 11.4033 11.4033 k = 0.4590 0.5002-0.0000 ( 1789 PWs) bands (ev): -13.3192 -13.3192 -13.2755 -13.2755 -12.9882 -12.9882 -12.8067 -12.8067 -4.8823 -4.8823 -2.5023 -2.5023 -1.6713 -1.6713 -1.3739 -1.3739 -0.5389 -0.5389 0.1577 0.1577 2.0457 2.0457 2.3357 2.3357 2.6179 2.6179 3.1960 3.1960 4.0059 4.0059 5.5839 5.5839 8.4517 8.4517 9.6538 9.6538 11.0577 11.0577 11.3948 11.3948 k = 0.4498 0.5002-0.0000 ( 1791 PWs) bands (ev): -13.3270 -13.3270 -13.2792 -13.2792 -12.9904 -12.9904 -12.8107 -12.8107 -4.8706 -4.8706 -2.5045 -2.5045 -1.6509 -1.6509 -1.3736 -1.3736 -0.5426 -0.5426 0.1538 0.1538 2.0724 2.0724 2.3218 2.3218 2.6529 2.6529 3.2025 3.2025 4.0028 4.0028 5.5680 5.5680 8.4629 8.4629 9.6557 9.6557 11.0533 11.0533 11.3790 11.3790 k = 0.4406 0.5002-0.0000 ( 1793 PWs) bands (ev): -13.3359 -13.3359 -13.2843 -13.2843 -12.9931 -12.9931 -12.8152 -12.8152 -4.8561 -4.8561 -2.5079 -2.5079 -1.6270 -1.6270 -1.3739 -1.3739 -0.5448 -0.5448 0.1510 0.1510 2.1026 2.1026 2.3080 2.3080 2.6902 2.6902 3.2108 3.2108 3.9997 3.9997 5.5500 5.5500 8.4754 8.4754 9.6580 9.6580 11.0477 11.0477 11.3595 11.3595 k = 0.4315 0.5002-0.0000 ( 1793 PWs) bands (ev): -13.3457 -13.3457 -13.2906 -13.2906 -12.9962 -12.9962 -12.8204 -12.8204 -4.8391 -4.8391 -2.5126 -2.5126 -1.5998 -1.5998 -1.3750 -1.3750 -0.5455 -0.5455 0.1497 0.1497 2.1357 2.1357 2.2944 2.2944 2.7299 2.7299 3.2209 3.2209 3.9966 3.9966 5.5300 5.5300 8.4892 8.4892 9.6606 9.6606 11.0407 11.0407 11.3374 11.3374 k = 0.4223 0.5002-0.0000 ( 1795 PWs) bands (ev): -13.3563 -13.3563 -13.2983 -13.2983 -12.9999 -12.9999 -12.8261 -12.8261 -4.8196 -4.8196 -2.5186 -2.5186 -1.5692 -1.5692 -1.3770 -1.3770 -0.5444 -0.5444 0.1503 0.1503 2.1712 2.1712 2.2807 2.2807 2.7717 2.7717 3.2331 3.2331 3.9937 3.9937 5.5081 5.5081 8.5040 8.5040 9.6633 9.6633 11.0322 11.0322 11.3130 11.3130 k = 0.4131 0.5002-0.0000 ( 1797 PWs) bands (ev): -13.3679 -13.3679 -13.3072 -13.3072 -13.0040 -13.0040 -12.8324 -12.8324 -4.7977 -4.7977 -2.5260 -2.5260 -1.5355 -1.5355 -1.3801 -1.3801 -0.5414 -0.5414 0.1534 0.1534 2.2085 2.2085 2.2671 2.2671 2.8158 2.8158 3.2476 3.2476 3.9910 3.9910 5.4844 5.4844 8.5196 8.5196 9.6660 9.6660 11.0221 11.0221 11.2864 11.2864 k = 0.4039 0.5002-0.0000 ( 1796 PWs) bands (ev): -13.3802 -13.3802 -13.3173 -13.3173 -13.0087 -13.0087 -12.8392 -12.8392 -4.7734 -4.7734 -2.5349 -2.5349 -1.4988 -1.4988 -1.3844 -1.3844 -0.5363 -0.5363 0.1592 0.1592 2.2450 2.2450 2.2554 2.2554 2.8619 2.8619 3.2647 3.2647 3.9884 3.9884 5.4590 5.4590 8.5358 8.5358 9.6684 9.6684 11.0104 11.0104 11.2576 11.2576 k = 0.3947 0.5002-0.0000 ( 1794 PWs) bands (ev): -13.3933 -13.3933 -13.3285 -13.3285 -13.0138 -13.0138 -12.8465 -12.8465 -4.7469 -4.7469 -2.5453 -2.5453 -1.4591 -1.4591 -1.3899 -1.3899 -0.5289 -0.5289 0.1682 0.1682 2.2383 2.2383 2.2876 2.2876 2.9099 2.9099 3.2844 3.2844 3.9862 3.9862 5.4322 5.4322 8.5525 8.5525 9.6704 9.6704 10.9971 10.9971 11.2268 11.2268 k = 0.3856 0.5002-0.0000 ( 1790 PWs) bands (ev): -13.4070 -13.4070 -13.3407 -13.3407 -13.0193 -13.0193 -12.8544 -12.8544 -4.7182 -4.7182 -2.5572 -2.5572 -1.4167 -1.4167 -1.3967 -1.3967 -0.5191 -0.5191 0.1805 0.1805 2.2243 2.2243 2.3271 2.3271 2.9598 2.9598 3.3072 3.3072 3.9843 3.9843 5.4040 5.4040 8.5693 8.5693 9.6717 9.6717 10.9823 10.9823 11.1940 11.1940 k = 0.3764 0.5002-0.0000 ( 1792 PWs) bands (ev): -13.4214 -13.4214 -13.3539 -13.3539 -13.0253 -13.0253 -12.8628 -12.8628 -4.6876 -4.6876 -2.5706 -2.5706 -1.4049 -1.4049 -1.3715 -1.3715 -0.5069 -0.5069 0.1964 0.1964 2.2101 2.2101 2.3666 2.3666 3.0114 3.0114 3.3331 3.3331 3.9827 3.9827 5.3744 5.3744 8.5860 8.5860 9.6720 9.6720 10.9658 10.9658 11.1592 11.1592 k = 0.3672 0.5002-0.0000 ( 1792 PWs) bands (ev): -13.4363 -13.4363 -13.3680 -13.3680 -13.0317 -13.0317 -12.8717 -12.8717 -4.6551 -4.6551 -2.5856 -2.5856 -1.4141 -1.4141 -1.3241 -1.3241 -0.4921 -0.4921 0.2160 0.2160 2.1959 2.1959 2.4053 2.4053 3.0644 3.0644 3.3625 3.3625 3.9817 3.9817 5.3438 5.3438 8.6024 8.6024 9.6709 9.6709 10.9478 10.9478 11.1227 11.1227 k = 0.3580 0.5002-0.0000 ( 1790 PWs) bands (ev): -13.4518 -13.4518 -13.3828 -13.3828 -13.0385 -13.0385 -12.8810 -12.8810 -4.6209 -4.6209 -2.6020 -2.6020 -1.4244 -1.4244 -1.2744 -1.2744 -0.4748 -0.4748 0.2393 0.2393 2.1818 2.1818 2.4430 2.4430 3.1187 3.1187 3.3954 3.3954 3.9813 3.9813 5.3120 5.3120 8.6182 8.6182 9.6682 9.6682 10.9285 10.9285 11.0843 11.0843 k = 0.3488 0.5002-0.0000 ( 1790 PWs) bands (ev): -13.4677 -13.4677 -13.3985 -13.3985 -13.0456 -13.0456 -12.8908 -12.8908 -4.5852 -4.5852 -2.6199 -2.6199 -1.4356 -1.4356 -1.2227 -1.2227 -0.4548 -0.4548 0.2662 0.2662 2.1679 2.1679 2.4793 2.4793 3.1740 3.1740 3.4320 3.4320 3.9816 3.9816 5.2793 5.2793 8.6331 8.6331 9.6635 9.6635 10.9081 10.9081 11.0445 11.0445 k = 0.3397 0.5002-0.0000 ( 1790 PWs) bands (ev): -13.4840 -13.4840 -13.4148 -13.4148 -13.0531 -13.0531 -12.9010 -12.9010 -4.5480 -4.5480 -2.6392 -2.6392 -1.4476 -1.4476 -1.1693 -1.1693 -0.4322 -0.4322 0.2967 0.2967 2.1544 2.1544 2.5142 2.5142 3.2302 3.2302 3.4721 3.4721 3.9827 3.9827 5.2457 5.2457 8.6469 8.6469 9.6565 9.6565 10.8867 10.8867 11.0032 11.0032 k = 0.3305 0.5002-0.0000 ( 1791 PWs) bands (ev): -13.5007 -13.5007 -13.4317 -13.4317 -13.0609 -13.0609 -12.9116 -12.9116 -4.5096 -4.5096 -2.6598 -2.6598 -1.4600 -1.4600 -1.1144 -1.1144 -0.4070 -0.4070 0.3306 0.3306 2.1414 2.1414 2.5474 2.5474 3.2870 3.2870 3.5158 3.5158 3.9847 3.9847 5.2113 5.2113 8.6592 8.6592 9.6467 9.6467 10.8647 10.8647 10.9606 10.9606 k = 0.3213 0.5002-0.0000 ( 1791 PWs) bands (ev): -13.5176 -13.5176 -13.4490 -13.4490 -13.0690 -13.0690 -12.9226 -12.9226 -4.4701 -4.4701 -2.6816 -2.6816 -1.4727 -1.4727 -1.0584 -1.0584 -0.3792 -0.3792 0.3676 0.3676 2.1291 2.1291 2.5792 2.5792 3.3441 3.3441 3.5628 3.5628 3.9879 3.9879 5.1762 5.1762 8.6697 8.6697 9.6338 9.6338 10.8423 10.8423 10.9171 10.9171 k = 0.3121 0.5002-0.0000 ( 1787 PWs) bands (ev): -13.5347 -13.5347 -13.4668 -13.4668 -13.0773 -13.0773 -12.9339 -12.9339 -4.4297 -4.4297 -2.7045 -2.7045 -1.4854 -1.4854 -1.0016 -1.0016 -0.3489 -0.3489 0.4075 0.4075 2.1178 2.1178 2.6095 2.6095 3.4012 3.4012 3.6130 3.6130 3.9923 3.9923 5.1405 5.1405 8.6781 8.6781 9.6173 9.6173 10.8198 10.8198 10.8728 10.8728 k = 0.3029 0.5002-0.0000 ( 1783 PWs) bands (ev): -13.5520 -13.5520 -13.4850 -13.4850 -13.0858 -13.0858 -12.9455 -12.9455 -4.3887 -4.3887 -2.7284 -2.7284 -1.4978 -1.4978 -0.9443 -0.9443 -0.3161 -0.3161 0.4500 0.4500 2.1076 2.1076 2.6388 2.6388 3.4580 3.4580 3.6659 3.6659 3.9983 3.9983 5.1042 5.1042 8.6841 8.6841 9.5969 9.5969 10.7975 10.7975 10.8282 10.8282 k = 0.2938 0.5002-0.0000 ( 1785 PWs) bands (ev): -13.5694 -13.5694 -13.5034 -13.5034 -13.0945 -13.0945 -12.9574 -12.9574 -4.3471 -4.3471 -2.7532 -2.7532 -1.5096 -1.5096 -0.8872 -0.8872 -0.2809 -0.2809 0.4948 0.4948 2.0989 2.0989 2.6671 2.6671 3.5140 3.5140 3.7212 3.7212 4.0061 4.0061 5.0673 5.0673 8.6874 8.6874 9.5724 9.5724 10.7750 10.7750 10.7841 10.7841 k = 0.2846 0.5002-0.0000 ( 1782 PWs) bands (ev): -13.5868 -13.5868 -13.5220 -13.5220 -13.1034 -13.1034 -12.9695 -12.9695 -4.3053 -4.3053 -2.7787 -2.7787 -1.5206 -1.5206 -0.8305 -0.8305 -0.2432 -0.2432 0.5414 0.5414 2.0918 2.0918 2.6950 2.6950 3.5689 3.5689 3.7785 3.7785 4.0159 4.0159 5.0299 5.0299 8.6875 8.6875 9.5434 9.5434 10.7377 10.7377 10.7558 10.7558 k = 0.2754 0.5002-0.0000 ( 1781 PWs) bands (ev): -13.6042 -13.6042 -13.5408 -13.5408 -13.1123 -13.1123 -12.9818 -12.9818 -4.2634 -4.2634 -2.8049 -2.8049 -1.5304 -1.5304 -0.7749 -0.7749 -0.2031 -0.2031 0.5896 0.5896 2.0868 2.0868 2.7227 2.7227 3.6222 3.6222 3.8375 3.8375 4.0283 4.0283 4.9921 4.9921 8.6843 8.6843 9.5098 9.5098 10.6939 10.6939 10.7356 10.7356 k = 0.2662 0.5002-0.0000 ( 1775 PWs) bands (ev): -13.6216 -13.6216 -13.5596 -13.5596 -13.1213 -13.1213 -12.9943 -12.9943 -4.2215 -4.2215 -2.8317 -2.8317 -1.5389 -1.5389 -0.7210 -0.7210 -0.1606 -0.1606 0.6388 0.6388 2.0840 2.0840 2.7506 2.7506 3.6734 3.6734 3.8977 3.8977 4.0435 4.0435 4.9539 4.9539 8.6773 8.6773 9.4714 9.4714 10.6508 10.6508 10.7167 10.7167 k = 0.2570 0.5002-0.0000 ( 1775 PWs) bands (ev): -13.6388 -13.6388 -13.5784 -13.5784 -13.1303 -13.1303 -13.0069 -13.0069 -4.1800 -4.1800 -2.8588 -2.8588 -1.5457 -1.5457 -0.6694 -0.6694 -0.1156 -0.1156 0.6887 0.6887 2.0838 2.0838 2.7792 2.7792 3.7218 3.7218 3.9587 3.9587 4.0622 4.0622 4.9154 4.9154 8.6663 8.6663 9.4282 9.4282 10.6091 10.6091 10.6990 10.6990 k = 0.2479 0.5002-0.0000 ( 1779 PWs) bands (ev): -13.6559 -13.6559 -13.5972 -13.5972 -13.1393 -13.1393 -13.0196 -13.0196 -4.1391 -4.1391 -2.8862 -2.8862 -1.5507 -1.5507 -0.6206 -0.6206 -0.0682 -0.0682 0.7389 0.7389 2.0864 2.0864 2.8088 2.8088 3.7669 3.7669 4.0200 4.0200 4.0847 4.0847 4.8764 4.8764 8.6510 8.6510 9.3803 9.3803 10.5690 10.5690 10.6826 10.6826 k = 0.2387 0.5002-0.0000 ( 1783 PWs) bands (ev): -13.6728 -13.6728 -13.6158 -13.6158 -13.1483 -13.1483 -13.0323 -13.0323 -4.0988 -4.0988 -2.9138 -2.9138 -1.5535 -1.5535 -0.5752 -0.5752 -0.0184 -0.0184 0.7889 0.7889 2.0923 2.0923 2.8397 2.8397 3.8084 3.8084 4.0810 4.0810 4.1114 4.1114 4.8372 4.8372 8.6312 8.6312 9.3278 9.3278 10.5311 10.5311 10.6672 10.6672 k = 0.2295 0.5002-0.0000 ( 1782 PWs) bands (ev): -13.6894 -13.6894 -13.6342 -13.6342 -13.1572 -13.1572 -13.0450 -13.0450 -4.0593 -4.0593 -2.9414 -2.9414 -1.5541 -1.5541 -0.5337 -0.5337 0.0336 0.0336 0.8382 0.8382 2.1016 2.1016 2.8724 2.8724 3.8462 3.8462 4.1367 4.1367 4.1468 4.1468 4.7978 4.7978 8.6067 8.6067 9.2709 9.2709 10.4957 10.4957 10.6530 10.6530 k = 0.2203 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.7057 -13.7057 -13.6524 -13.6524 -13.1660 -13.1660 -13.0577 -13.0577 -4.0210 -4.0210 -2.9690 -2.9690 -1.5523 -1.5523 -0.4966 -0.4966 0.0877 0.0877 0.8865 0.8865 2.1147 2.1147 2.9072 2.9072 3.8806 3.8806 4.1738 4.1738 4.2036 4.2036 4.7582 4.7582 8.5776 8.5776 9.2098 9.2098 10.4629 10.4629 10.6398 10.6398 k = 0.2111 0.5002-0.0000 ( 1786 PWs) bands (ev): -13.7216 -13.7216 -13.6703 -13.6703 -13.1746 -13.1746 -13.0702 -13.0702 -3.9838 -3.9838 -2.9965 -2.9965 -1.5478 -1.5478 -0.4640 -0.4640 0.1435 0.1435 0.9333 0.9333 2.1318 2.1318 2.9443 2.9443 3.9121 3.9121 4.2107 4.2107 4.2618 4.2618 4.7188 4.7188 8.5437 8.5437 9.1449 9.1449 10.4332 10.4332 10.6275 10.6275 k = 0.2020 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.7371 -13.7371 -13.6879 -13.6879 -13.1830 -13.1830 -13.0827 -13.0827 -3.9480 -3.9480 -3.0238 -3.0238 -1.5406 -1.5406 -0.4363 -0.4363 0.2008 0.2008 0.9782 0.9782 2.1532 2.1532 2.9841 2.9841 3.9416 3.9416 4.2494 4.2494 4.3178 4.3178 4.6801 4.6801 8.5053 8.5053 9.0766 9.0766 10.4065 10.4065 10.6158 10.6158 k = 0.1928 0.5002-0.0000 ( 1785 PWs) bands (ev): -13.7522 -13.7522 -13.7050 -13.7050 -13.1912 -13.1912 -13.0950 -13.0950 -3.9136 -3.9136 -3.0509 -3.0509 -1.5307 -1.5307 -0.4136 -0.4136 0.2592 0.2592 1.0209 1.0209 2.1789 2.1789 3.0267 3.0267 3.9696 3.9696 4.2891 4.2891 4.3700 4.3700 4.6432 4.6432 8.4626 8.4626 9.0051 9.0051 10.3831 10.3831 10.6048 10.6048 k = 0.1836 0.5002-0.0000 ( 1785 PWs) bands (ev): -13.7668 -13.7668 -13.7218 -13.7218 -13.1992 -13.1992 -13.1071 -13.1071 -3.8808 -3.8808 -3.0775 -3.0775 -1.5178 -1.5178 -0.3958 -0.3958 0.3182 0.3182 1.0610 1.0610 2.2091 2.2091 3.0722 3.0722 3.9969 3.9969 4.3289 4.3289 4.4147 4.4147 4.6114 4.6114 8.4159 8.4159 8.9310 8.9310 10.3628 10.3628 10.5942 10.5942 k = 0.1744 0.5002-0.0000 ( 1785 PWs) bands (ev): -13.7809 -13.7809 -13.7380 -13.7380 -13.2068 -13.2068 -13.1190 -13.1190 -3.8496 -3.8496 -3.1037 -3.1037 -1.5021 -1.5021 -0.3829 -0.3829 0.3775 0.3775 1.0984 1.0984 2.2438 2.2438 3.1208 3.1208 4.0241 4.0241 4.3681 4.3681 4.4428 4.4428 4.5935 4.5935 8.3657 8.3657 8.8547 8.8547 10.3457 10.3457 10.5839 10.5839 k = 0.1652 0.5002-0.0000 ( 1779 PWs) bands (ev): -13.7944 -13.7944 -13.7537 -13.7537 -13.2141 -13.2141 -13.1306 -13.1306 -3.8200 -3.8200 -3.1295 -3.1295 -1.4836 -1.4836 -0.3749 -0.3749 0.4365 0.4365 1.1326 1.1326 2.2830 2.2830 3.1724 3.1724 4.0513 4.0513 4.4057 4.4057 4.4419 4.4419 4.6022 4.6022 8.3124 8.3124 8.7766 8.7766 10.3316 10.3316 10.5739 10.5739 k = 0.1561 0.5002-0.0000 ( 1779 PWs) bands (ev): -13.8073 -13.8073 -13.7688 -13.7688 -13.2211 -13.2211 -13.1420 -13.1420 -3.7920 -3.7920 -3.1547 -3.1547 -1.4622 -1.4622 -0.3716 -0.3716 0.4950 0.4950 1.1636 1.1636 2.3266 2.3266 3.2270 3.2270 4.0791 4.0791 4.4127 4.4127 4.4451 4.4451 4.6322 4.6322 8.2568 8.2568 8.6971 8.6971 10.3204 10.3204 10.5640 10.5640 k = 0.1469 0.5002-0.0000 ( 1781 PWs) bands (ev): -13.8196 -13.8196 -13.7833 -13.7833 -13.2277 -13.2277 -13.1529 -13.1529 -3.7657 -3.7657 -3.1794 -3.1794 -1.4381 -1.4381 -0.3728 -0.3728 0.5525 0.5525 1.1913 1.1913 2.3743 2.3743 3.2843 3.2843 4.1073 4.1073 4.3761 4.3761 4.4789 4.4789 4.6698 4.6698 8.1994 8.1994 8.6168 8.6168 10.3119 10.3119 10.5542 10.5542 k = 0.1377 0.5002-0.0000 ( 1781 PWs) bands (ev): -13.8312 -13.8312 -13.7972 -13.7972 -13.2339 -13.2339 -13.1636 -13.1636 -3.7410 -3.7410 -3.2034 -3.2034 -1.4114 -1.4114 -0.3783 -0.3783 0.6089 0.6089 1.2156 1.2156 2.4261 2.4261 3.3442 3.3442 4.1362 4.1362 4.3336 4.3336 4.5112 4.5112 4.7081 4.7081 8.1411 8.1411 8.5361 8.5361 10.3058 10.3058 10.5443 10.5443 k = 0.1285 0.5002-0.0000 ( 1784 PWs) bands (ev): -13.8422 -13.8422 -13.8104 -13.8104 -13.2396 -13.2396 -13.1738 -13.1738 -3.7178 -3.7178 -3.2268 -3.2268 -1.3821 -1.3821 -0.3880 -0.3880 0.6637 0.6637 1.2364 1.2364 2.4816 2.4816 3.4061 3.4061 4.1654 4.1654 4.2885 4.2885 4.5412 4.5412 4.7449 4.7449 8.0824 8.0824 8.4556 8.4556 10.3021 10.3021 10.5344 10.5344 k = 0.1193 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.8524 -13.8524 -13.8228 -13.8228 -13.2449 -13.2449 -13.1837 -13.1837 -3.6960 -3.6960 -3.2495 -3.2495 -1.3506 -1.3506 -0.4015 -0.4015 0.7169 0.7169 1.2538 1.2538 2.5405 2.5405 3.4698 3.4698 4.1944 4.1944 4.2421 4.2421 4.5686 4.5686 4.7788 4.7788 8.0244 8.0244 8.3757 8.3757 10.3004 10.3004 10.5245 10.5245 k = 0.1102 0.5002-0.0000 ( 1782 PWs) bands (ev): -13.8619 -13.8619 -13.8346 -13.8346 -13.2497 -13.2497 -13.1930 -13.1930 -3.6755 -3.6755 -3.2715 -3.2715 -1.3168 -1.3168 -0.4187 -0.4187 0.7681 0.7681 1.2678 1.2678 2.6024 2.6024 3.5345 3.5345 4.1907 4.1907 4.2273 4.2273 4.5934 4.5934 4.8092 4.8092 7.9676 7.9676 8.2971 8.2971 10.3006 10.3006 10.5145 10.5145 k = 0.1010 0.5002-0.0000 ( 1772 PWs) bands (ev): -13.8706 -13.8706 -13.8456 -13.8456 -13.2540 -13.2540 -13.2019 -13.2019 -3.6562 -3.6562 -3.2929 -3.2929 -1.2811 -1.2811 -0.4393 -0.4393 0.8173 0.8173 1.2785 1.2785 2.6670 2.6670 3.5995 3.5995 4.1426 4.1426 4.2555 4.2555 4.6156 4.6156 4.8357 4.8357 7.9131 7.9131 8.2204 8.2204 10.3024 10.3024 10.5044 10.5044 k = 0.0918 0.5002-0.0000 ( 1772 PWs) bands (ev): -13.8786 -13.8786 -13.8558 -13.8558 -13.2578 -13.2578 -13.2104 -13.2104 -3.6380 -3.6380 -3.3135 -3.3135 -1.2437 -1.2437 -0.4630 -0.4630 0.8643 0.8643 1.2860 1.2860 2.7338 2.7338 3.6634 3.6634 4.0937 4.0937 4.2836 4.2836 4.6354 4.6354 4.8578 4.8578 7.8615 7.8615 8.1459 8.1459 10.3057 10.3057 10.4941 10.4941 k = 0.0826 0.5002-0.0000 ( 1768 PWs) bands (ev): -13.8857 -13.8857 -13.8652 -13.8652 -13.2611 -13.2611 -13.2183 -13.2183 -3.6207 -3.6207 -3.3334 -3.3334 -1.2046 -1.2046 -0.4896 -0.4896 0.9091 0.9091 1.2904 1.2904 2.8025 2.8025 3.7241 3.7241 4.0464 4.0464 4.3099 4.3099 4.6533 4.6533 4.8754 4.8754 7.8137 7.8137 8.0745 8.0745 10.3104 10.3104 10.4837 10.4837 k = 0.0734 0.5002-0.0000 ( 1768 PWs) bands (ev): -13.8920 -13.8920 -13.8738 -13.8738 -13.2638 -13.2638 -13.2257 -13.2257 -3.6043 -3.6043 -3.3527 -3.3527 -1.1643 -1.1643 -0.5189 -0.5189 0.9515 0.9515 1.2917 1.2917 2.8726 2.8726 3.7758 3.7758 4.0060 4.0060 4.3332 4.3332 4.6699 4.6699 4.8882 4.8882 7.7704 7.7704 8.0066 8.0066 10.3162 10.3162 10.4733 10.4733 k = 0.0643 0.5002-0.0000 ( 1764 PWs) bands (ev): -13.8975 -13.8975 -13.8816 -13.8816 -13.2659 -13.2659 -13.2325 -13.2325 -3.5885 -3.5885 -3.3713 -3.3713 -1.1229 -1.1229 -0.5506 -0.5506 0.9916 0.9916 1.2902 1.2902 2.9437 2.9437 3.8040 3.8040 3.9863 3.9863 4.3521 4.3521 4.6860 4.6860 4.8962 4.8962 7.7325 7.7325 7.9428 7.9428 10.3230 10.3230 10.4627 10.4627 k = 0.0551 0.5002-0.0000 ( 1763 PWs) bands (ev): -13.9021 -13.9021 -13.8885 -13.8885 -13.2674 -13.2674 -13.2388 -13.2388 -3.5732 -3.5732 -3.3892 -3.3892 -1.0805 -1.0805 -0.5844 -0.5844 1.0292 1.0292 1.2857 1.2857 3.0155 3.0155 3.7919 3.7919 4.0037 4.0037 4.3651 4.3651 4.7027 4.7027 4.8993 4.8993 7.7005 7.7005 7.8838 7.8838 10.3306 10.3306 10.4521 10.4521 k = 0.0459 0.5002-0.0000 ( 1763 PWs) bands (ev): -13.9059 -13.9059 -13.8945 -13.8945 -13.2684 -13.2684 -13.2445 -13.2445 -3.5583 -3.5583 -3.4065 -3.4065 -1.0376 -1.0376 -0.6202 -0.6202 1.0644 1.0644 1.2785 1.2785 3.0876 3.0876 3.7505 3.7505 4.0463 4.0463 4.3711 4.3711 4.7207 4.7207 4.8976 4.8976 7.6750 7.6750 7.8301 7.8301 10.3389 10.3389 10.4413 10.4413 k = 0.0367 0.5002-0.0000 ( 1761 PWs) bands (ev): -13.9088 -13.9088 -13.8997 -13.8997 -13.2688 -13.2688 -13.2496 -13.2496 -3.5437 -3.5437 -3.4233 -3.4233 -0.9942 -0.9942 -0.6577 -0.6577 1.0971 1.0971 1.2686 1.2686 3.1597 3.1597 3.6967 3.6967 4.0968 4.0968 4.3690 4.3690 4.7403 4.7403 4.8913 4.8913 7.6565 7.6565 7.7822 7.7822 10.3479 10.3479 10.4306 10.4306 k = 0.0275 0.5002-0.0000 ( 1763 PWs) bands (ev): -13.9108 -13.9108 -13.9040 -13.9040 -13.2685 -13.2685 -13.2542 -13.2542 -3.5292 -3.5292 -3.4395 -3.4395 -0.9506 -0.9506 -0.6968 -0.6968 1.1273 1.1273 1.2561 1.2561 3.2314 3.2314 3.6371 3.6371 4.1478 4.1478 4.3586 4.3586 4.7616 4.7616 4.8807 4.8807 7.6455 7.6455 7.7408 7.7408 10.3573 10.3573 10.4198 10.4198 k = 0.0184 0.5002-0.0000 ( 1760 PWs) bands (ev): -13.9119 -13.9119 -13.9073 -13.9073 -13.2677 -13.2677 -13.2581 -13.2581 -3.5147 -3.5147 -3.4552 -3.4552 -0.9070 -0.9070 -0.7371 -0.7371 1.1550 1.1550 1.2409 1.2409 3.3024 3.3024 3.5741 3.5741 4.1964 4.1964 4.3400 4.3400 4.7840 4.7840 4.8663 4.8663 7.6421 7.6421 7.7061 7.7061 10.3672 10.3672 10.4090 10.4090 k = 0.0092 0.5002-0.0000 ( 1756 PWs) bands (ev): -13.9121 -13.9121 -13.9098 -13.9098 -13.2662 -13.2662 -13.2614 -13.2614 -3.5002 -3.5002 -3.4705 -3.4705 -0.8636 -0.8636 -0.7785 -0.7785 1.1803 1.1803 1.2232 1.2232 3.3725 3.3725 3.5087 3.5087 4.2410 4.2410 4.3137 4.3137 4.8066 4.8066 4.8486 4.8486 7.6465 7.6465 7.6786 7.6786 10.3774 10.3774 10.3984 10.3984 k = 0.0000 0.5002-0.0000 ( 1754 PWs) bands (ev): -13.9114 -13.9114 -13.9114 -13.9114 -13.2641 -13.2641 -13.2641 -13.2641 -3.4855 -3.4855 -3.4855 -3.4855 -0.8207 -0.8207 -0.8207 -0.8207 1.2030 1.2030 1.2030 1.2030 3.4413 3.4413 3.4413 3.4413 4.2804 4.2804 4.2804 4.2804 4.8285 4.8285 4.8285 4.8285 7.6587 7.6587 7.6587 7.6587 10.3878 10.3878 10.3878 10.3878 k = 0.0000 0.5002-0.0000 ( 1754 PWs) bands (ev): -13.9114 -13.9114 -13.9114 -13.9114 -13.2641 -13.2641 -13.2641 -13.2641 -3.4855 -3.4855 -3.4855 -3.4855 -0.8207 -0.8207 -0.8207 -0.8207 1.2030 1.2030 1.2030 1.2030 3.4413 3.4413 3.4413 3.4413 4.2804 4.2804 4.2804 4.2804 4.8285 4.8285 4.8285 4.8285 7.6587 7.6587 7.6587 7.6587 10.3878 10.3878 10.3878 10.3878 k = 0.0000 0.5002 0.0092 ( 1756 PWs) bands (ev): -13.9111 -13.9111 -13.9111 -13.9111 -13.2645 -13.2645 -13.2645 -13.2645 -3.4841 -3.4841 -3.4840 -3.4840 -0.8231 -0.8231 -0.8229 -0.8229 1.2031 1.2031 1.2036 1.2036 3.4417 3.4417 3.4421 3.4421 4.2782 4.2782 4.2792 4.2792 4.8294 4.8294 4.8305 4.8305 7.6599 7.6599 7.6600 7.6600 10.3877 10.3878 10.3878 10.3878 k = 0.0000 0.5002 0.0183 ( 1762 PWs) bands (ev): -13.9102 -13.9102 -13.9102 -13.9102 -13.2657 -13.2657 -13.2657 -13.2657 -3.4798 -3.4798 -3.4798 -3.4798 -0.8300 -0.8300 -0.8296 -0.8296 1.2037 1.2037 1.2047 1.2047 3.4432 3.4432 3.4439 3.4439 4.2726 4.2726 4.2746 4.2746 4.8332 4.8332 4.8354 4.8354 7.6636 7.6636 7.6638 7.6638 10.3877 10.3877 10.3878 10.3878 k = 0.0000 0.5002 0.0275 ( 1762 PWs) bands (ev): -13.9086 -13.9086 -13.9086 -13.9086 -13.2678 -13.2678 -13.2678 -13.2678 -3.4727 -3.4727 -3.4727 -3.4727 -0.8413 -0.8413 -0.8407 -0.8407 1.2050 1.2050 1.2064 1.2064 3.4457 3.4457 3.4468 3.4468 4.2639 4.2639 4.2668 4.2668 4.8397 4.8397 4.8429 4.8429 7.6698 7.6698 7.6701 7.6701 10.3875 10.3875 10.3877 10.3877 k = 0.0000 0.5002 0.0367 ( 1766 PWs) bands (ev): -13.9064 -13.9064 -13.9064 -13.9064 -13.2706 -13.2706 -13.2706 -13.2706 -3.4629 -3.4629 -3.4628 -3.4628 -0.8570 -0.8570 -0.8561 -0.8561 1.2068 1.2068 1.2087 1.2087 3.4493 3.4493 3.4507 3.4507 4.2524 4.2524 4.2561 4.2561 4.8487 4.8487 4.8527 4.8527 7.6784 7.6784 7.6788 7.6788 10.3873 10.3874 10.3876 10.3876 k = 0.0000 0.5002 0.0459 ( 1768 PWs) bands (ev): -13.9036 -13.9036 -13.9036 -13.9036 -13.2742 -13.2742 -13.2742 -13.2742 -3.4503 -3.4503 -3.4502 -3.4502 -0.8768 -0.8768 -0.8758 -0.8758 1.2092 1.2092 1.2115 1.2115 3.4539 3.4539 3.4557 3.4557 4.2385 4.2385 4.2428 4.2428 4.8596 4.8596 4.8644 4.8644 7.6895 7.6895 7.6899 7.6899 10.3871 10.3871 10.3874 10.3874 k = 0.0000 0.5002 0.0550 ( 1768 PWs) bands (ev): -13.9003 -13.9003 -13.9002 -13.9002 -13.2785 -13.2785 -13.2785 -13.2785 -3.4350 -3.4350 -3.4349 -3.4349 -0.9006 -0.9006 -0.8994 -0.8994 1.2120 1.2120 1.2147 1.2147 3.4596 3.4596 3.4617 3.4617 4.2225 4.2225 4.2274 4.2274 4.8722 4.8722 4.8777 4.8777 7.7027 7.7027 7.7033 7.7033 10.3866 10.3866 10.3870 10.3870 k = 0.0000 0.5002 0.0642 ( 1774 PWs) bands (ev): -13.8963 -13.8963 -13.8963 -13.8963 -13.2835 -13.2835 -13.2835 -13.2835 -3.4172 -3.4172 -3.4170 -3.4170 -0.9281 -0.9281 -0.9267 -0.9267 1.2152 1.2152 1.2183 1.2183 3.4662 3.4662 3.4687 3.4687 4.2047 4.2047 4.2101 4.2101 4.8859 4.8859 4.8920 4.8920 7.7182 7.7182 7.7188 7.7188 10.3860 10.3860 10.3865 10.3865 k = 0.0000 0.5002 0.0734 ( 1776 PWs) bands (ev): -13.8919 -13.8919 -13.8918 -13.8918 -13.2892 -13.2892 -13.2892 -13.2892 -3.3969 -3.3969 -3.3967 -3.3967 -0.9591 -0.9591 -0.9575 -0.9575 1.2187 1.2187 1.2222 1.2222 3.4739 3.4739 3.4767 3.4767 4.1855 4.1855 4.1914 4.1914 4.9005 4.9005 4.9071 4.9071 7.7357 7.7357 7.7364 7.7364 10.3852 10.3852 10.3857 10.3857 k = 0.0000 0.5002 0.0825 ( 1776 PWs) bands (ev): -13.8869 -13.8869 -13.8869 -13.8869 -13.2955 -13.2955 -13.2955 -13.2955 -3.3743 -3.3743 -3.3740 -3.3740 -0.9932 -0.9932 -0.9915 -0.9915 1.2224 1.2224 1.2263 1.2263 3.4825 3.4825 3.4856 3.4856 4.1653 4.1653 4.1714 4.1714 4.9156 4.9156 4.9226 4.9226 7.7551 7.7551 7.7559 7.7559 10.3840 10.3840 10.3845 10.3845 k = 0.0000 0.5002 0.0917 ( 1776 PWs) bands (ev): -13.8815 -13.8815 -13.8814 -13.8814 -13.3024 -13.3024 -13.3023 -13.3023 -3.3495 -3.3495 -3.3492 -3.3492 -1.0302 -1.0302 -1.0284 -1.0284 1.2264 1.2264 1.2306 1.2306 3.4919 3.4919 3.4953 3.4953 4.1441 4.1441 4.1506 4.1506 4.9308 4.9308 4.9382 4.9382 7.7762 7.7762 7.7771 7.7771 10.3824 10.3824 10.3830 10.3830 k = 0.0000 0.5002 0.1009 ( 1778 PWs) bands (ev): -13.8756 -13.8756 -13.8756 -13.8756 -13.3097 -13.3097 -13.3096 -13.3096 -3.3226 -3.3226 -3.3223 -3.3223 -1.0697 -1.0697 -1.0677 -1.0677 1.2305 1.2305 1.2350 1.2350 3.5023 3.5023 3.5060 3.5060 4.1223 4.1223 4.1290 4.1290 4.9460 4.9460 4.9537 4.9537 7.7989 7.7989 7.7998 7.7998 10.3803 10.3803 10.3810 10.3810 k = 0.0000 0.5002 0.1101 ( 1778 PWs) bands (ev): -13.8694 -13.8694 -13.8694 -13.8694 -13.3174 -13.3174 -13.3174 -13.3174 -3.2939 -3.2939 -3.2935 -3.2935 -1.1113 -1.1113 -1.1092 -1.1092 1.2346 1.2346 1.2394 1.2394 3.5135 3.5135 3.5175 3.5175 4.1000 4.1000 4.1068 4.1068 4.9609 4.9609 4.9689 4.9689 7.8228 7.8228 7.8238 7.8238 10.3777 10.3777 10.3784 10.3784 k = 0.0000 0.5002 0.1192 ( 1782 PWs) bands (ev): -13.8629 -13.8629 -13.8629 -13.8629 -13.3255 -13.3255 -13.3255 -13.3255 -3.2636 -3.2636 -3.2632 -3.2632 -1.1545 -1.1545 -1.1523 -1.1523 1.2387 1.2387 1.2438 1.2438 3.5254 3.5254 3.5298 3.5298 4.0774 4.0774 4.0843 4.0843 4.9753 4.9753 4.9836 4.9836 7.8476 7.8476 7.8488 7.8488 10.3744 10.3744 10.3751 10.3751 k = 0.0000 0.5002 0.1284 ( 1786 PWs) bands (ev): -13.8562 -13.8562 -13.8561 -13.8561 -13.3339 -13.3339 -13.3338 -13.3338 -3.2320 -3.2320 -3.2315 -3.2315 -1.1991 -1.1991 -1.1968 -1.1968 1.2427 1.2427 1.2481 1.2481 3.5382 3.5382 3.5428 3.5428 4.0546 4.0546 4.0616 4.0616 4.9891 4.9891 4.9976 4.9976 7.8732 7.8732 7.8744 7.8744 10.3704 10.3704 10.3711 10.3711 k = 0.0000 0.5002 0.1376 ( 1784 PWs) bands (ev): -13.8492 -13.8492 -13.8492 -13.8492 -13.3424 -13.3424 -13.3423 -13.3423 -3.1993 -3.1993 -3.1987 -3.1987 -1.2444 -1.2444 -1.2420 -1.2420 1.2467 1.2467 1.2522 1.2522 3.5517 3.5517 3.5565 3.5565 4.0317 4.0317 4.0387 4.0387 5.0022 5.0022 5.0108 5.0108 7.8992 7.8992 7.9005 7.9005 10.3656 10.3656 10.3664 10.3664 k = 0.0000 0.5002 0.1467 ( 1782 PWs) bands (ev): -13.8422 -13.8422 -13.8422 -13.8422 -13.3509 -13.3509 -13.3508 -13.3508 -3.1659 -3.1659 -3.1653 -3.1653 -1.2901 -1.2901 -1.2875 -1.2875 1.2504 1.2504 1.2562 1.2562 3.5658 3.5658 3.5710 3.5710 4.0087 4.0087 4.0157 4.0157 5.0144 5.0144 5.0232 5.0232 7.9252 7.9252 7.9266 7.9266 10.3600 10.3600 10.3608 10.3608 k = 0.0000 0.5002 0.1559 ( 1788 PWs) bands (ev): -13.8352 -13.8352 -13.8351 -13.8351 -13.3594 -13.3594 -13.3593 -13.3593 -3.1322 -3.1322 -3.1315 -3.1315 -1.3354 -1.3354 -1.3328 -1.3328 1.2540 1.2540 1.2599 1.2599 3.5806 3.5806 3.5860 3.5860 3.9858 3.9858 3.9928 3.9928 5.0257 5.0257 5.0346 5.0346 7.9509 7.9509 7.9523 7.9523 10.3537 10.3537 10.3546 10.3546 k = 0.0000 0.5002 0.1651 ( 1786 PWs) bands (ev): -13.8283 -13.8283 -13.8282 -13.8282 -13.3677 -13.3677 -13.3676 -13.3676 -3.0987 -3.0987 -3.0979 -3.0979 -1.3800 -1.3800 -1.3772 -1.3772 1.2573 1.2573 1.2634 1.2634 3.5960 3.5960 3.6017 3.6017 3.9631 3.9631 3.9700 3.9700 5.0361 5.0361 5.0451 5.0451 7.9758 7.9758 7.9773 7.9773 10.3468 10.3468 10.3477 10.3477 k = 0.0000 0.5002 0.1743 ( 1784 PWs) bands (ev): -13.8216 -13.8216 -13.8216 -13.8216 -13.3757 -13.3757 -13.3756 -13.3756 -3.0658 -3.0658 -3.0650 -3.0650 -1.4230 -1.4230 -1.4202 -1.4202 1.2603 1.2603 1.2665 1.2665 3.6119 3.6119 3.6179 3.6179 3.9405 3.9405 3.9474 3.9474 5.0454 5.0454 5.0545 5.0545 7.9996 7.9996 8.0012 8.0012 10.3394 10.3394 10.3403 10.3403 k = 0.0000 0.5002 0.1834 ( 1786 PWs) bands (ev): -13.8153 -13.8153 -13.8152 -13.8152 -13.3833 -13.3833 -13.3832 -13.3832 -3.0343 -3.0343 -3.0334 -3.0334 -1.4638 -1.4638 -1.4609 -1.4609 1.2631 1.2631 1.2694 1.2694 3.6284 3.6284 3.6346 3.6346 3.9182 3.9182 3.9249 3.9249 5.0536 5.0536 5.0628 5.0628 8.0219 8.0219 8.0235 8.0235 10.3317 10.3317 10.3327 10.3327 k = 0.0000 0.5002 0.1926 ( 1788 PWs) bands (ev): -13.8094 -13.8094 -13.8093 -13.8093 -13.3902 -13.3902 -13.3901 -13.3901 -3.0047 -3.0047 -3.0037 -3.0037 -1.5017 -1.5017 -1.4987 -1.4987 1.2655 1.2655 1.2719 1.2719 3.6453 3.6453 3.6517 3.6517 3.8962 3.8962 3.9028 3.9028 5.0608 5.0608 5.0700 5.0700 8.0422 8.0422 8.0438 8.0438 10.3241 10.3241 10.3251 10.3251 k = 0.0000 0.5002 0.2018 ( 1790 PWs) bands (ev): -13.8042 -13.8042 -13.8041 -13.8041 -13.3964 -13.3964 -13.3963 -13.3963 -2.9777 -2.9777 -2.9766 -2.9766 -1.5358 -1.5358 -1.5326 -1.5326 1.2676 1.2676 1.2741 1.2741 3.6625 3.6625 3.6693 3.6693 3.8747 3.8747 3.8811 3.8811 5.0669 5.0669 5.0762 5.0762 8.0602 8.0602 8.0619 8.0619 10.3168 10.3168 10.3178 10.3178 k = 0.0000 0.5002 0.2109 ( 1790 PWs) bands (ev): -13.7996 -13.7996 -13.7995 -13.7995 -13.4018 -13.4018 -13.4016 -13.4016 -2.9542 -2.9542 -2.9530 -2.9530 -1.5653 -1.5653 -1.5620 -1.5620 1.2693 1.2693 1.2759 1.2759 3.6798 3.6798 3.6870 3.6870 3.8538 3.8538 3.8599 3.8599 5.0719 5.0719 5.0812 5.0812 8.0754 8.0754 8.0772 8.0772 10.3103 10.3103 10.3113 10.3113 k = 0.0000 0.5002 0.2201 ( 1788 PWs) bands (ev): -13.7960 -13.7960 -13.7958 -13.7958 -13.4061 -13.4061 -13.4059 -13.4059 -2.9349 -2.9349 -2.9337 -2.9337 -1.5893 -1.5893 -1.5860 -1.5860 1.2706 1.2706 1.2773 1.2773 3.6971 3.6971 3.7047 3.7047 3.8338 3.8338 3.8396 3.8396 5.0758 5.0758 5.0851 5.0851 8.0877 8.0877 8.0894 8.0894 10.3048 10.3048 10.3058 10.3058 k = 0.0000 0.5002 0.2293 ( 1786 PWs) bands (ev): -13.7932 -13.7932 -13.7931 -13.7931 -13.4092 -13.4092 -13.4091 -13.4091 -2.9205 -2.9205 -2.9192 -2.9192 -1.6070 -1.6070 -1.6037 -1.6037 1.2716 1.2716 1.2783 1.2783 3.7135 3.7135 3.7217 3.7217 3.8155 3.8155 3.8207 3.8207 5.0785 5.0785 5.0879 5.0879 8.0966 8.0966 8.0984 8.0984 10.3006 10.3006 10.3017 10.3017 k = 0.0000 0.5002 0.2384 ( 1784 PWs) bands (ev): -13.7916 -13.7916 -13.7915 -13.7915 -13.4112 -13.4112 -13.4110 -13.4110 -2.9116 -2.9116 -2.9103 -2.9103 -1.6180 -1.6180 -1.6146 -1.6146 1.2722 1.2722 1.2789 1.2789 3.7271 3.7271 3.7362 3.7362 3.8006 3.8006 3.8050 3.8050 5.0802 5.0802 5.0896 5.0896 8.1021 8.1021 8.1039 8.1039 10.2980 10.2980 10.2991 10.2991 k = 0.0000 0.5002 0.2476 ( 1780 PWs) bands (ev): -13.7910 -13.7910 -13.7909 -13.7909 -13.4118 -13.4118 -13.4117 -13.4117 -2.9086 -2.9086 -2.9072 -2.9072 -1.6217 -1.6217 -1.6183 -1.6183 1.2724 1.2724 1.2791 1.2791 3.7331 3.7331 3.7428 3.7428 3.7942 3.7942 3.7980 3.7980 5.0808 5.0808 5.0902 5.0902 8.1039 8.1039 8.1057 8.1057 10.2972 10.2972 10.2982 10.2982 k = 0.0000 0.5002 0.2476 ( 1780 PWs) bands (ev): -13.7910 -13.7910 -13.7909 -13.7909 -13.4118 -13.4118 -13.4117 -13.4117 -2.9086 -2.9086 -2.9072 -2.9072 -1.6217 -1.6217 -1.6183 -1.6183 1.2724 1.2724 1.2791 1.2791 3.7331 3.7331 3.7428 3.7428 3.7942 3.7942 3.7980 3.7980 5.0808 5.0808 5.0902 5.0902 8.1039 8.1039 8.1057 8.1057 10.2972 10.2972 10.2982 10.2982 k = 0.0092 0.5002 0.2476 ( 1782 PWs) bands (ev): -13.7906 -13.7906 -13.7905 -13.7905 -13.4115 -13.4115 -13.4114 -13.4114 -2.9095 -2.9095 -2.9081 -2.9081 -1.6208 -1.6208 -1.6173 -1.6173 1.2713 1.2713 1.2780 1.2780 3.6877 3.6877 3.6930 3.6930 3.8390 3.8390 3.8395 3.8395 5.0810 5.0810 5.0904 5.0904 8.1072 8.1072 8.1090 8.1090 10.2969 10.2969 10.2980 10.2980 k = 0.0184 0.5002 0.2476 ( 1782 PWs) bands (ev): -13.7893 -13.7893 -13.7892 -13.7892 -13.4105 -13.4105 -13.4104 -13.4104 -2.9121 -2.9121 -2.9108 -2.9108 -1.6179 -1.6179 -1.6145 -1.6145 1.2682 1.2682 1.2749 1.2749 3.6164 3.6164 3.6203 3.6203 3.8965 3.8965 3.8985 3.8985 5.0817 5.0817 5.0911 5.0911 8.1171 8.1171 8.1189 8.1189 10.2963 10.2963 10.2973 10.2973 k = 0.0275 0.5002 0.2476 ( 1784 PWs) bands (ev): -13.7871 -13.7871 -13.7870 -13.7870 -13.4088 -13.4088 -13.4087 -13.4087 -2.9166 -2.9166 -2.9152 -2.9152 -1.6132 -1.6132 -1.6098 -1.6098 1.2631 1.2631 1.2698 1.2698 3.5394 3.5394 3.5425 3.5425 3.9507 3.9507 3.9534 3.9534 5.0829 5.0829 5.0924 5.0924 8.1335 8.1335 8.1353 8.1353 10.2952 10.2952 10.2963 10.2963 k = 0.0367 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7841 -13.7841 -13.7840 -13.7840 -13.4065 -13.4065 -13.4064 -13.4064 -2.9228 -2.9228 -2.9214 -2.9214 -1.6067 -1.6067 -1.6033 -1.6033 1.2559 1.2559 1.2626 1.2626 3.4585 3.4585 3.4613 3.4613 3.9997 3.9997 4.0029 4.0029 5.0848 5.0848 5.0943 5.0943 8.1562 8.1562 8.1580 8.1580 10.2939 10.2939 10.2950 10.2950 k = 0.0459 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7802 -13.7802 -13.7801 -13.7801 -13.4035 -13.4035 -13.4034 -13.4034 -2.9307 -2.9307 -2.9294 -2.9294 -1.5983 -1.5983 -1.5949 -1.5949 1.2466 1.2466 1.2534 1.2534 3.3748 3.3748 3.3772 3.3772 4.0426 4.0426 4.0462 4.0462 5.0874 5.0874 5.0969 5.0969 8.1849 8.1849 8.1868 8.1868 10.2923 10.2923 10.2934 10.2934 k = 0.0551 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7754 -13.7754 -13.7753 -13.7753 -13.3999 -13.3999 -13.3998 -13.3998 -2.9404 -2.9404 -2.9390 -2.9390 -1.5882 -1.5882 -1.5848 -1.5848 1.2354 1.2354 1.2422 1.2422 3.2888 3.2888 3.2910 3.2910 4.0792 4.0792 4.0830 4.0830 5.0908 5.0908 5.1003 5.1003 8.2195 8.2195 8.2214 8.2214 10.2907 10.2907 10.2918 10.2918 k = 0.0643 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7699 -13.7699 -13.7697 -13.7697 -13.3957 -13.3957 -13.3956 -13.3956 -2.9517 -2.9517 -2.9503 -2.9503 -1.5764 -1.5764 -1.5730 -1.5730 1.2223 1.2223 1.2290 1.2290 3.2011 3.2011 3.2030 3.2030 4.1091 4.1091 4.1132 4.1132 5.0950 5.0950 5.1046 5.1046 8.2595 8.2595 8.2615 8.2615 10.2890 10.2890 10.2901 10.2901 k = 0.0734 0.5002 0.2476 ( 1784 PWs) bands (ev): -13.7634 -13.7634 -13.7633 -13.7633 -13.3909 -13.3909 -13.3907 -13.3907 -2.9647 -2.9647 -2.9633 -2.9633 -1.5629 -1.5629 -1.5595 -1.5595 1.2072 1.2072 1.2139 1.2139 3.1121 3.1121 3.1138 3.1138 4.1323 4.1323 4.1366 4.1366 5.1001 5.1001 5.1096 5.1096 8.3046 8.3046 8.3067 8.3067 10.2874 10.2874 10.2886 10.2886 k = 0.0826 0.5002 0.2476 ( 1782 PWs) bands (ev): -13.7562 -13.7562 -13.7561 -13.7561 -13.3854 -13.3854 -13.3853 -13.3853 -2.9793 -2.9793 -2.9779 -2.9779 -1.5478 -1.5478 -1.5444 -1.5444 1.1902 1.1902 1.1970 1.1970 3.0223 3.0223 3.0238 3.0238 4.1489 4.1489 4.1533 4.1533 5.1059 5.1059 5.1154 5.1154 8.3543 8.3543 8.3565 8.3565 10.2861 10.2861 10.2873 10.2873 k = 0.0918 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7482 -13.7482 -13.7481 -13.7481 -13.3794 -13.3794 -13.3793 -13.3793 -2.9955 -2.9955 -2.9941 -2.9941 -1.5311 -1.5311 -1.5277 -1.5277 1.1713 1.1713 1.1781 1.1781 2.9322 2.9322 2.9335 2.9335 4.1591 4.1591 4.1635 4.1635 5.1121 5.1121 5.1215 5.1215 8.4083 8.4083 8.4106 8.4106 10.2850 10.2850 10.2862 10.2862 k = 0.1010 0.5002 0.2476 ( 1788 PWs) bands (ev): -13.7394 -13.7394 -13.7393 -13.7393 -13.3728 -13.3728 -13.3727 -13.3727 -3.0133 -3.0133 -3.0119 -3.0119 -1.5130 -1.5130 -1.5096 -1.5096 1.1506 1.1506 1.1574 1.1574 2.8422 2.8422 2.8434 2.8434 4.1630 4.1630 4.1675 4.1675 5.1186 5.1186 5.1278 5.1278 8.4661 8.4661 8.4685 8.4685 10.2844 10.2844 10.2857 10.2857 k = 0.1102 0.5002 0.2476 ( 1792 PWs) bands (ev): -13.7299 -13.7299 -13.7298 -13.7298 -13.3656 -13.3656 -13.3655 -13.3655 -3.0325 -3.0325 -3.0312 -3.0312 -1.4934 -1.4934 -1.4900 -1.4900 1.1280 1.1280 1.1348 1.1348 2.7529 2.7529 2.7540 2.7540 4.1613 4.1613 4.1657 4.1657 5.1249 5.1249 5.1340 5.1340 8.5272 8.5272 8.5297 8.5297 10.2844 10.2844 10.2856 10.2856 k = 0.1193 0.5002 0.2476 ( 1788 PWs) bands (ev): -13.7196 -13.7196 -13.7195 -13.7195 -13.3580 -13.3580 -13.3579 -13.3579 -3.0532 -3.0532 -3.0519 -3.0519 -1.4726 -1.4726 -1.4692 -1.4692 1.1035 1.1035 1.1103 1.1103 2.6648 2.6648 2.6657 2.6657 4.1542 4.1542 4.1586 4.1586 5.1307 5.1307 5.1397 5.1397 8.5911 8.5911 8.5938 8.5938 10.2850 10.2850 10.2862 10.2862 k = 0.1285 0.5002 0.2476 ( 1786 PWs) bands (ev): -13.7085 -13.7085 -13.7084 -13.7084 -13.3498 -13.3498 -13.3497 -13.3497 -3.0754 -3.0754 -3.0740 -3.0740 -1.4505 -1.4505 -1.4470 -1.4470 1.0770 1.0770 1.0838 1.0838 2.5782 2.5782 2.5790 2.5790 4.1423 4.1423 4.1466 4.1466 5.1357 5.1357 5.1445 5.1445 8.6575 8.6575 8.6602 8.6602 10.2862 10.2862 10.2875 10.2875 k = 0.1377 0.5002 0.2476 ( 1792 PWs) bands (ev): -13.6968 -13.6968 -13.6967 -13.6967 -13.3412 -13.3412 -13.3411 -13.3411 -3.0989 -3.0989 -3.0976 -3.0976 -1.4272 -1.4272 -1.4237 -1.4237 1.0485 1.0485 1.0553 1.0553 2.4938 2.4938 2.4945 2.4945 4.1260 4.1260 4.1302 4.1302 5.1394 5.1394 5.1480 5.1480 8.7257 8.7257 8.7285 8.7285 10.2882 10.2882 10.2895 10.2895 k = 0.1469 0.5002 0.2476 ( 1794 PWs) bands (ev): -13.6845 -13.6845 -13.6844 -13.6844 -13.3321 -13.3321 -13.3320 -13.3320 -3.1238 -3.1238 -3.1224 -3.1224 -1.4028 -1.4028 -1.3994 -1.3994 1.0180 1.0180 1.0248 1.0248 2.4120 2.4120 2.4126 2.4126 4.1058 4.1058 4.1099 4.1099 5.1417 5.1417 5.1501 5.1501 8.7953 8.7953 8.7983 8.7983 10.2910 10.2910 10.2923 10.2923 k = 0.1561 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.6715 -13.6715 -13.6714 -13.6714 -13.3227 -13.3227 -13.3225 -13.3225 -3.1499 -3.1499 -3.1485 -3.1485 -1.3775 -1.3775 -1.3740 -1.3740 0.9853 0.9853 0.9921 0.9921 2.3333 2.3333 2.3338 2.3338 4.0821 4.0821 4.0861 4.0861 5.1421 5.1421 5.1503 5.1503 8.8660 8.8660 8.8691 8.8691 10.2947 10.2947 10.2959 10.2959 k = 0.1652 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.6579 -13.6579 -13.6577 -13.6577 -13.3128 -13.3128 -13.3127 -13.3127 -3.1772 -3.1772 -3.1758 -3.1758 -1.3513 -1.3513 -1.3478 -1.3478 0.9503 0.9503 0.9571 0.9571 2.2581 2.2581 2.2586 2.2586 4.0553 4.0553 4.0592 4.0592 5.1405 5.1405 5.1485 5.1485 8.9372 8.9372 8.9405 8.9405 10.2992 10.2992 10.3005 10.3005 k = 0.1744 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.6437 -13.6437 -13.6435 -13.6435 -13.3026 -13.3026 -13.3025 -13.3025 -3.2056 -3.2056 -3.2043 -3.2043 -1.3242 -1.3242 -1.3207 -1.3207 0.9131 0.9131 0.9198 0.9198 2.1871 2.1871 2.1875 2.1875 4.0256 4.0256 4.0295 4.0295 5.1367 5.1367 5.1445 5.1445 9.0085 9.0085 9.0119 9.0119 10.3047 10.3047 10.3060 10.3060 k = 0.1836 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.6289 -13.6289 -13.6288 -13.6288 -13.2921 -13.2921 -13.2920 -13.2920 -3.2351 -3.2351 -3.2338 -3.2338 -1.2965 -1.2965 -1.2930 -1.2930 0.8734 0.8734 0.8801 0.8801 2.1205 2.1205 2.1209 2.1209 3.9935 3.9935 3.9973 3.9973 5.1306 5.1306 5.1383 5.1383 9.0795 9.0795 9.0831 9.0831 10.3112 10.3112 10.3125 10.3125 k = 0.1928 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.6137 -13.6137 -13.6136 -13.6136 -13.2814 -13.2814 -13.2812 -13.2812 -3.2656 -3.2656 -3.2643 -3.2643 -1.2683 -1.2683 -1.2647 -1.2647 0.8314 0.8314 0.8380 0.8380 2.0587 2.0587 2.0591 2.0591 3.9592 3.9592 3.9630 3.9630 5.1222 5.1222 5.1297 5.1297 9.1499 9.1499 9.1536 9.1536 10.3187 10.3187 10.3200 10.3200 k = 0.2020 0.5002 0.2476 ( 1796 PWs) bands (ev): -13.5980 -13.5980 -13.5979 -13.5979 -13.2704 -13.2704 -13.2703 -13.2703 -3.2970 -3.2970 -3.2957 -3.2957 -1.2396 -1.2396 -1.2360 -1.2360 0.7870 0.7870 0.7936 0.7936 2.0021 2.0021 2.0025 2.0025 3.9230 3.9230 3.9266 3.9266 5.1114 5.1114 5.1187 5.1187 9.2192 9.2192 9.2231 9.2231 10.3272 10.3272 10.3284 10.3284 k = 0.2111 0.5002 0.2476 ( 1798 PWs) bands (ev): -13.5818 -13.5818 -13.5817 -13.5817 -13.2592 -13.2592 -13.2591 -13.2591 -3.3292 -3.3292 -3.3280 -3.3280 -1.2106 -1.2106 -1.2069 -1.2069 0.7404 0.7404 0.7469 0.7469 1.9507 1.9507 1.9511 1.9511 3.8850 3.8850 3.8886 3.8886 5.0981 5.0981 5.1053 5.1053 9.2871 9.2871 9.2912 9.2912 10.3367 10.3367 10.3380 10.3380 k = 0.2203 0.5002 0.2476 ( 1800 PWs) bands (ev): -13.5653 -13.5653 -13.5652 -13.5652 -13.2478 -13.2478 -13.2477 -13.2477 -3.3622 -3.3622 -3.3609 -3.3609 -1.1815 -1.1815 -1.1778 -1.1778 0.6919 0.6919 0.6983 0.6983 1.9048 1.9048 1.9052 1.9052 3.8455 3.8455 3.8491 3.8491 5.0825 5.0825 5.0895 5.0895 9.3533 9.3533 9.3575 9.3575 10.3473 10.3473 10.3485 10.3486 k = 0.2295 0.5002 0.2476 ( 1800 PWs) bands (ev): -13.5484 -13.5484 -13.5483 -13.5483 -13.2364 -13.2364 -13.2363 -13.2363 -3.3957 -3.3957 -3.3945 -3.3945 -1.1524 -1.1524 -1.1486 -1.1486 0.6418 0.6418 0.6481 0.6481 1.8643 1.8643 1.8648 1.8648 3.8047 3.8047 3.8082 3.8082 5.0645 5.0645 5.0714 5.0714 9.4175 9.4175 9.4219 9.4219 10.3589 10.3589 10.3602 10.3602 k = 0.2387 0.5002 0.2476 ( 1800 PWs) bands (ev): -13.5312 -13.5312 -13.5311 -13.5311 -13.2249 -13.2249 -13.2248 -13.2248 -3.4298 -3.4298 -3.4286 -3.4286 -1.1235 -1.1235 -1.1197 -1.1197 0.5904 0.5904 0.5966 0.5966 1.8291 1.8291 1.8296 1.8296 3.7626 3.7626 3.7661 3.7661 5.0444 5.0444 5.0511 5.0511 9.4794 9.4794 9.4839 9.4839 10.3717 10.3717 10.3729 10.3729 k = 0.2479 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.5138 -13.5138 -13.5137 -13.5137 -13.2134 -13.2134 -13.2133 -13.2133 -3.4643 -3.4643 -3.4632 -3.4632 -1.0951 -1.0951 -1.0912 -1.0912 0.5383 0.5383 0.5444 0.5444 1.7990 1.7990 1.7996 1.7996 3.7196 3.7196 3.7231 3.7231 5.0220 5.0220 5.0287 5.0287 9.5387 9.5387 9.5434 9.5434 10.3854 10.3854 10.3866 10.3866 k = 0.2570 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.4962 -13.4962 -13.4961 -13.4961 -13.2019 -13.2019 -13.2018 -13.2018 -3.4991 -3.4991 -3.4979 -3.4979 -1.0673 -1.0673 -1.0634 -1.0634 0.4859 0.4859 0.4920 0.4920 1.7739 1.7739 1.7744 1.7744 3.6758 3.6758 3.6792 3.6792 4.9977 4.9977 5.0043 5.0043 9.5953 9.5953 9.6001 9.6001 10.4002 10.4002 10.4014 10.4014 k = 0.2662 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.4784 -13.4784 -13.4783 -13.4783 -13.1905 -13.1905 -13.1904 -13.1904 -3.5340 -3.5340 -3.5329 -3.5329 -1.0405 -1.0405 -1.0365 -1.0365 0.4339 0.4339 0.4399 0.4399 1.7533 1.7533 1.7539 1.7539 3.6313 3.6313 3.6347 3.6347 4.9715 4.9715 4.9779 4.9779 9.6491 9.6491 9.6539 9.6539 10.4160 10.4160 10.4172 10.4172 k = 0.2754 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.4605 -13.4605 -13.4604 -13.4604 -13.1792 -13.1792 -13.1791 -13.1791 -3.5690 -3.5690 -3.5679 -3.5679 -1.0149 -1.0149 -1.0109 -1.0109 0.3829 0.3829 0.3888 0.3888 1.7371 1.7371 1.7378 1.7378 3.5862 3.5862 3.5897 3.5897 4.9436 4.9436 4.9499 4.9499 9.6997 9.6997 9.7047 9.7047 10.4327 10.4327 10.4340 10.4340 k = 0.2846 0.5002 0.2476 ( 1804 PWs) bands (ev): -13.4425 -13.4425 -13.4424 -13.4424 -13.1680 -13.1680 -13.1680 -13.1680 -3.6039 -3.6039 -3.6028 -3.6028 -0.9909 -0.9909 -0.9868 -0.9868 0.3335 0.3335 0.3393 0.3393 1.7250 1.7250 1.7256 1.7256 3.5408 3.5408 3.5443 3.5443 4.9141 4.9141 4.9203 4.9203 9.7473 9.7473 9.7523 9.7523 10.4504 10.4504 10.4517 10.4517 k = 0.2938 0.5002 0.2476 ( 1800 PWs) bands (ev): -13.4246 -13.4246 -13.4245 -13.4245 -13.1571 -13.1571 -13.1570 -13.1570 -3.6385 -3.6385 -3.6375 -3.6375 -0.9688 -0.9688 -0.9646 -0.9646 0.2863 0.2863 0.2921 0.2921 1.7165 1.7165 1.7171 1.7171 3.4953 3.4953 3.4987 3.4987 4.8832 4.8832 4.8893 4.8893 9.7917 9.7917 9.7966 9.7966 10.4688 10.4688 10.4702 10.4702 k = 0.3029 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.4067 -13.4067 -13.4066 -13.4066 -13.1465 -13.1465 -13.1464 -13.1464 -3.6728 -3.6728 -3.6719 -3.6719 -0.9489 -0.9489 -0.9447 -0.9447 0.2421 0.2421 0.2477 0.2477 1.7114 1.7114 1.7120 1.7120 3.4497 3.4497 3.4531 3.4531 4.8511 4.8511 4.8570 4.8570 9.8329 9.8329 9.8378 9.8378 10.4879 10.4879 10.4893 10.4893 k = 0.3121 0.5002 0.2476 ( 1800 PWs) bands (ev): -13.3889 -13.3889 -13.3888 -13.3888 -13.1361 -13.1361 -13.1360 -13.1360 -3.7066 -3.7066 -3.7057 -3.7057 -0.9318 -0.9318 -0.9275 -0.9275 0.2013 0.2013 0.2068 0.2068 1.7093 1.7093 1.7099 1.7099 3.4043 3.4043 3.4077 3.4077 4.8180 4.8180 4.8238 4.8238 9.8710 9.8710 9.8759 9.8759 10.5077 10.5077 10.5091 10.5091 k = 0.3213 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.3713 -13.3713 -13.3712 -13.3712 -13.1261 -13.1261 -13.1260 -13.1260 -3.7398 -3.7398 -3.7390 -3.7390 -0.9176 -0.9176 -0.9134 -0.9134 0.1645 0.1645 0.1699 0.1699 1.7100 1.7100 1.7106 1.7106 3.3592 3.3592 3.3626 3.3626 4.7840 4.7840 4.7896 4.7896 9.9060 9.9060 9.9108 9.9108 10.5277 10.5277 10.5292 10.5292 k = 0.3305 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.3539 -13.3539 -13.3539 -13.3539 -13.1165 -13.1165 -13.1164 -13.1164 -3.7723 -3.7723 -3.7714 -3.7714 -0.9067 -0.9067 -0.9026 -0.9026 0.1322 0.1322 0.1375 0.1375 1.7132 1.7132 1.7137 1.7137 3.3147 3.3147 3.3181 3.3181 4.7494 4.7494 4.7549 4.7549 9.9382 9.9382 9.9428 9.9428 10.5480 10.5480 10.5496 10.5496 k = 0.3397 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.3369 -13.3369 -13.3368 -13.3368 -13.1073 -13.1073 -13.1072 -13.1072 -3.8038 -3.8038 -3.8030 -3.8030 -0.8994 -0.8994 -0.8954 -0.8954 0.1047 0.1047 0.1098 0.1098 1.7185 1.7185 1.7190 1.7190 3.2709 3.2709 3.2744 3.2744 4.7143 4.7143 4.7197 4.7197 9.9675 9.9675 9.9720 9.9720 10.5684 10.5684 10.5700 10.5700 k = 0.3488 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.3202 -13.3202 -13.3201 -13.3201 -13.0985 -13.0985 -13.0985 -13.0985 -3.8344 -3.8344 -3.8336 -3.8336 -0.8958 -0.8958 -0.8918 -0.8918 0.0822 0.0822 0.0872 0.0872 1.7257 1.7257 1.7261 1.7261 3.2282 3.2282 3.2316 3.2316 4.6791 4.6791 4.6843 4.6843 9.9942 9.9942 9.9986 9.9986 10.5886 10.5886 10.5903 10.5903 k = 0.3580 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.3039 -13.3039 -13.3038 -13.3038 -13.0903 -13.0903 -13.0902 -13.0902 -3.8637 -3.8637 -3.8630 -3.8630 -0.8958 -0.8958 -0.8920 -0.8920 0.0648 0.0648 0.0695 0.0695 1.7345 1.7345 1.7348 1.7348 3.1866 3.1866 3.1901 3.1901 4.6438 4.6438 4.6488 4.6488 10.0185 10.0185 10.0226 10.0226 10.6086 10.6086 10.6103 10.6103 k = 0.3672 0.5002 0.2476 ( 1808 PWs) bands (ev): -13.2881 -13.2881 -13.2880 -13.2880 -13.0825 -13.0825 -13.0825 -13.0825 -3.8919 -3.8919 -3.8912 -3.8912 -0.8992 -0.8992 -0.8956 -0.8956 0.0522 0.0522 0.0566 0.0566 1.7446 1.7446 1.7448 1.7448 3.1465 3.1465 3.1500 3.1500 4.6088 4.6088 4.6137 4.6137 10.0404 10.0404 10.0444 10.0444 10.6280 10.6280 10.6298 10.6298 k = 0.3764 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.2729 -13.2729 -13.2728 -13.2728 -13.0754 -13.0754 -13.0753 -13.0753 -3.9186 -3.9186 -3.9180 -3.9180 -0.9056 -0.9056 -0.9022 -0.9022 0.0440 0.0440 0.0482 0.0482 1.7556 1.7556 1.7557 1.7557 3.1082 3.1082 3.1117 3.1117 4.5742 4.5742 4.5789 4.5789 10.0602 10.0602 10.0640 10.0640 10.6468 10.6468 10.6486 10.6486 k = 0.3856 0.5002 0.2476 ( 1808 PWs) bands (ev): -13.2583 -13.2583 -13.2583 -13.2583 -13.0687 -13.0687 -13.0687 -13.0687 -3.9438 -3.9438 -3.9432 -3.9432 -0.9146 -0.9146 -0.9115 -0.9115 0.0398 0.0398 0.0437 0.0437 1.7673 1.7673 1.7674 1.7674 3.0719 3.0719 3.0753 3.0753 4.5404 4.5404 4.5449 4.5449 10.0781 10.0781 10.0816 10.0816 10.6648 10.6648 10.6666 10.6666 k = 0.3947 0.5002 0.2476 ( 1808 PWs) bands (ev): -13.2445 -13.2445 -13.2444 -13.2444 -13.0627 -13.0627 -13.0626 -13.0626 -3.9674 -3.9674 -3.9669 -3.9669 -0.9256 -0.9256 -0.9228 -0.9228 0.0389 0.0389 0.0424 0.0424 1.7794 1.7794 1.7795 1.7795 3.0379 3.0379 3.0412 3.0412 4.5075 4.5075 4.5118 4.5118 10.0940 10.0940 10.0973 10.0973 10.6820 10.6820 10.6838 10.6838 k = 0.4039 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.2314 -13.2314 -13.2313 -13.2313 -13.0572 -13.0572 -13.0572 -13.0572 -3.9894 -3.9894 -3.9889 -3.9889 -0.9381 -0.9381 -0.9355 -0.9355 0.0406 0.0406 0.0439 0.0439 1.7915 1.7915 1.7917 1.7917 3.0064 3.0064 3.0097 3.0097 4.4758 4.4758 4.4798 4.4798 10.1082 10.1082 10.1113 10.1113 10.6981 10.6981 10.6998 10.6998 k = 0.4131 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.2192 -13.2192 -13.2191 -13.2191 -13.0523 -13.0523 -13.0522 -13.0522 -4.0095 -4.0095 -4.0090 -4.0090 -0.9513 -0.9513 -0.9489 -0.9489 0.0443 0.0443 0.0472 0.0472 1.8034 1.8034 1.8037 1.8037 2.9778 2.9778 2.9810 2.9810 4.4454 4.4454 4.4492 4.4492 10.1208 10.1208 10.1236 10.1236 10.7131 10.7131 10.7148 10.7148 k = 0.4223 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.2080 -13.2080 -13.2079 -13.2079 -13.0479 -13.0479 -13.0479 -13.0479 -4.0277 -4.0277 -4.0273 -4.0273 -0.9647 -0.9647 -0.9627 -0.9627 0.0492 0.0492 0.0518 0.0518 1.8149 1.8149 1.8152 1.8152 2.9523 2.9523 2.9554 2.9554 4.4168 4.4168 4.4203 4.4203 10.1319 10.1319 10.1344 10.1344 10.7270 10.7270 10.7286 10.7286 k = 0.4315 0.5002 0.2476 ( 1808 PWs) bands (ev): -13.1978 -13.1978 -13.1977 -13.1977 -13.0441 -13.0441 -13.0441 -13.0441 -4.0440 -4.0440 -4.0436 -4.0436 -0.9779 -0.9779 -0.9761 -0.9761 0.0548 0.0548 0.0571 0.0571 1.8256 1.8256 1.8259 1.8259 2.9302 2.9302 2.9331 2.9331 4.3901 4.3901 4.3933 4.3933 10.1415 10.1415 10.1438 10.1438 10.7396 10.7396 10.7411 10.7411 k = 0.4406 0.5002 0.2476 ( 1810 PWs) bands (ev): -13.1887 -13.1887 -13.1887 -13.1887 -13.0408 -13.0408 -13.0407 -13.0407 -4.0582 -4.0582 -4.0578 -4.0578 -0.9904 -0.9904 -0.9888 -0.9888 0.0604 0.0604 0.0624 0.0624 1.8353 1.8353 1.8357 1.8357 2.9117 2.9117 2.9144 2.9144 4.3655 4.3655 4.3684 4.3684 10.1496 10.1496 10.1517 10.1517 10.7508 10.7508 10.7522 10.7522 k = 0.4498 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.1809 -13.1809 -13.1809 -13.1809 -13.0379 -13.0379 -13.0379 -13.0379 -4.0703 -4.0703 -4.0700 -4.0700 -1.0018 -1.0018 -1.0004 -1.0004 0.0656 0.0656 0.0673 0.0673 1.8438 1.8438 1.8442 1.8442 2.8970 2.8970 2.8995 2.8995 4.3433 4.3433 4.3459 4.3459 10.1564 10.1564 10.1582 10.1582 10.7608 10.7608 10.7620 10.7620 k = 0.4590 0.5002 0.2476 ( 1806 PWs) bands (ev): -13.1745 -13.1745 -13.1744 -13.1744 -13.0354 -13.0354 -13.0354 -13.0354 -4.0803 -4.0803 -4.0800 -4.0800 -1.0117 -1.0117 -1.0105 -1.0105 0.0699 0.0699 0.0714 0.0714 1.8509 1.8509 1.8513 1.8513 2.8862 2.8862 2.8884 2.8884 4.3237 4.3237 4.3260 4.3260 10.1619 10.1619 10.1635 10.1635 10.7692 10.7692 10.7704 10.7704 k = 0.4682 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.1694 -13.1694 -13.1694 -13.1694 -13.0334 -13.0334 -13.0333 -13.0333 -4.0880 -4.0880 -4.0878 -4.0878 -1.0199 -1.0199 -1.0189 -1.0189 0.0730 0.0730 0.0743 0.0743 1.8566 1.8566 1.8570 1.8570 2.8794 2.8794 2.8813 2.8813 4.3069 4.3069 4.3089 4.3089 10.1662 10.1662 10.1675 10.1675 10.7763 10.7763 10.7772 10.7772 k = 0.4774 0.5002 0.2476 ( 1804 PWs) bands (ev): -13.1658 -13.1658 -13.1658 -13.1658 -13.0316 -13.0316 -13.0316 -13.0316 -4.0936 -4.0936 -4.0934 -4.0934 -1.0262 -1.0262 -1.0255 -1.0255 0.0747 0.0747 0.0757 0.0757 1.8608 1.8608 1.8611 1.8611 2.8765 2.8765 2.8781 2.8781 4.2931 4.2931 4.2947 4.2947 10.1691 10.1691 10.1702 10.1702 10.7818 10.7818 10.7826 10.7826 k = 0.4865 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.1638 -13.1638 -13.1638 -13.1638 -13.0301 -13.0301 -13.0301 -13.0301 -4.0968 -4.0968 -4.0967 -4.0967 -1.0305 -1.0305 -1.0299 -1.0299 0.0746 0.0746 0.0754 0.0754 1.8633 1.8633 1.8636 1.8636 2.8776 2.8776 2.8788 2.8788 4.2825 4.2825 4.2837 4.2837 10.1709 10.1709 10.1717 10.1717 10.7859 10.7859 10.7865 10.7865 k = 0.4865 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.1638 -13.1638 -13.1638 -13.1638 -13.0301 -13.0301 -13.0301 -13.0301 -4.0968 -4.0968 -4.0967 -4.0967 -1.0305 -1.0305 -1.0299 -1.0299 0.0746 0.0746 0.0754 0.0754 1.8633 1.8633 1.8636 1.8636 2.8776 2.8776 2.8788 2.8788 4.2825 4.2825 4.2837 4.2837 10.1709 10.1709 10.1717 10.1717 10.7859 10.7859 10.7865 10.7865 k = 0.4801 0.4936 0.2476 ( 1806 PWs) bands (ev): -13.1661 -13.1661 -13.1661 -13.1661 -13.0324 -13.0324 -13.0324 -13.0324 -4.0930 -4.0930 -4.0929 -4.0929 -1.0248 -1.0248 -1.0239 -1.0239 0.0763 0.0763 0.0774 0.0774 1.8601 1.8601 1.8604 1.8604 2.8726 2.8726 2.8743 2.8743 4.2983 4.2983 4.3001 4.3001 10.1689 10.1689 10.1701 10.1701 10.7801 10.7801 10.7809 10.7809 k = 0.4737 0.4870 0.2476 ( 1806 PWs) bands (ev): -13.1697 -13.1697 -13.1696 -13.1696 -13.0351 -13.0351 -13.0351 -13.0351 -4.0878 -4.0878 -4.0875 -4.0875 -1.0169 -1.0169 -1.0158 -1.0158 0.0787 0.0787 0.0801 0.0801 1.8555 1.8555 1.8560 1.8560 2.8666 2.8666 2.8688 2.8688 4.3197 4.3197 4.3220 4.3220 10.1663 10.1663 10.1678 10.1678 10.7722 10.7722 10.7733 10.7733 k = 0.4673 0.4804 0.2476 ( 1802 PWs) bands (ev): -13.1747 -13.1747 -13.1747 -13.1747 -13.0381 -13.0381 -13.0381 -13.0381 -4.0810 -4.0810 -4.0807 -4.0807 -1.0068 -1.0068 -1.0054 -1.0054 0.0818 0.0818 0.0836 0.0836 1.8496 1.8496 1.8500 1.8500 2.8602 2.8602 2.8628 2.8628 4.3461 4.3461 4.3488 4.3488 10.1630 10.1630 10.1649 10.1649 10.7623 10.7623 10.7636 10.7636 k = 0.4609 0.4739 0.2476 ( 1810 PWs) bands (ev): -13.1816 -13.1816 -13.1815 -13.1815 -13.0409 -13.0409 -13.0409 -13.0409 -4.0728 -4.0728 -4.0725 -4.0725 -0.9947 -0.9947 -0.9930 -0.9930 0.0855 0.0855 0.0876 0.0876 1.8421 1.8421 1.8426 1.8426 2.8541 2.8541 2.8570 2.8570 4.3768 4.3768 4.3799 4.3799 10.1590 10.1590 10.1613 10.1613 10.7504 10.7504 10.7519 10.7519 k = 0.4545 0.4673 0.2476 ( 1808 PWs) bands (ev): -13.1906 -13.1906 -13.1906 -13.1906 -13.0432 -13.0432 -13.0432 -13.0432 -4.0632 -4.0632 -4.0627 -4.0627 -0.9805 -0.9805 -0.9786 -0.9786 0.0898 0.0898 0.0923 0.0923 1.8332 1.8332 1.8336 1.8336 2.8492 2.8492 2.8523 2.8523 4.4112 4.4112 4.4146 4.4146 10.1544 10.1544 10.1570 10.1570 10.7367 10.7367 10.7383 10.7383 k = 0.4481 0.4607 0.2476 ( 1804 PWs) bands (ev): -13.2020 -13.2020 -13.2020 -13.2020 -13.0447 -13.0447 -13.0446 -13.0446 -4.0521 -4.0521 -4.0516 -4.0516 -0.9644 -0.9644 -0.9622 -0.9622 0.0948 0.0948 0.0976 0.0976 1.8226 1.8226 1.8230 1.8230 2.8459 2.8459 2.8492 2.8492 4.4485 4.4485 4.4523 4.4523 10.1492 10.1492 10.1522 10.1522 10.7213 10.7213 10.7229 10.7229 k = 0.4417 0.4541 0.2476 ( 1804 PWs) bands (ev): -13.2160 -13.2160 -13.2160 -13.2160 -13.0452 -13.0452 -13.0451 -13.0451 -4.0395 -4.0395 -4.0390 -4.0390 -0.9465 -0.9465 -0.9440 -0.9440 0.1003 0.1003 0.1035 0.1035 1.8105 1.8105 1.8108 1.8108 2.8451 2.8451 2.8484 2.8484 4.4882 4.4882 4.4922 4.4922 10.1434 10.1434 10.1468 10.1468 10.7042 10.7042 10.7058 10.7058 k = 0.4353 0.4475 0.2476 ( 1800 PWs) bands (ev): -13.2327 -13.2327 -13.2326 -13.2326 -13.0445 -13.0445 -13.0445 -13.0445 -4.0256 -4.0256 -4.0250 -4.0250 -0.9269 -0.9269 -0.9240 -0.9240 0.1063 0.1063 0.1098 0.1098 1.7970 1.7970 1.7970 1.7970 2.8471 2.8471 2.8504 2.8504 4.5296 4.5296 4.5339 4.5339 10.1370 10.1370 10.1407 10.1407 10.6854 10.6854 10.6871 10.6871 k = 0.4289 0.4410 0.2476 ( 1800 PWs) bands (ev): -13.2518 -13.2518 -13.2517 -13.2517 -13.0428 -13.0428 -13.0428 -13.0428 -4.0102 -4.0102 -4.0095 -4.0095 -0.9056 -0.9056 -0.9025 -0.9025 0.1129 0.1129 0.1167 0.1167 1.7820 1.7820 1.7821 1.7821 2.8524 2.8524 2.8556 2.8556 4.5722 4.5722 4.5766 4.5766 10.1301 10.1301 10.1341 10.1341 10.6651 10.6651 10.6667 10.6667 k = 0.4225 0.4344 0.2476 ( 1800 PWs) bands (ev): -13.2734 -13.2734 -13.2734 -13.2734 -13.0401 -13.0401 -13.0400 -13.0400 -3.9934 -3.9934 -3.9927 -3.9927 -0.8830 -0.8830 -0.8795 -0.8795 0.1199 0.1199 0.1241 0.1241 1.7658 1.7658 1.7662 1.7662 2.8612 2.8612 2.8643 2.8643 4.6152 4.6152 4.6199 4.6199 10.1226 10.1226 10.1270 10.1270 10.6433 10.6433 10.6448 10.6448 k = 0.4161 0.4278 0.2476 ( 1804 PWs) bands (ev): -13.2974 -13.2974 -13.2973 -13.2973 -13.0364 -13.0364 -13.0363 -13.0363 -3.9753 -3.9753 -3.9745 -3.9745 -0.8590 -0.8590 -0.8552 -0.8552 0.1274 0.1274 0.1320 0.1320 1.7488 1.7488 1.7494 1.7494 2.8738 2.8738 2.8767 2.8767 4.6584 4.6584 4.6632 4.6632 10.1147 10.1147 10.1194 10.1194 10.6200 10.6200 10.6214 10.6214 k = 0.4097 0.4212 0.2476 ( 1800 PWs) bands (ev): -13.3235 -13.3235 -13.3234 -13.3234 -13.0318 -13.0318 -13.0317 -13.0317 -3.9558 -3.9558 -3.9549 -3.9549 -0.8339 -0.8339 -0.8298 -0.8298 0.1355 0.1355 0.1404 0.1404 1.7313 1.7313 1.7322 1.7322 2.8901 2.8901 2.8928 2.8928 4.7013 4.7013 4.7061 4.7061 10.1062 10.1062 10.1113 10.1113 10.5954 10.5954 10.5967 10.5967 k = 0.4033 0.4146 0.2476 ( 1796 PWs) bands (ev): -13.3515 -13.3515 -13.3514 -13.3514 -13.0264 -13.0264 -13.0263 -13.0263 -3.9349 -3.9349 -3.9340 -3.9340 -0.8079 -0.8079 -0.8035 -0.8035 0.1440 0.1440 0.1493 0.1493 1.7136 1.7136 1.7148 1.7148 2.9102 2.9102 2.9127 2.9127 4.7433 4.7433 4.7482 4.7482 10.0973 10.0973 10.1027 10.1027 10.5695 10.5695 10.5706 10.5706 k = 0.3969 0.4081 0.2476 ( 1796 PWs) bands (ev): -13.3815 -13.3815 -13.3813 -13.3813 -13.0203 -13.0203 -13.0203 -13.0203 -3.9127 -3.9127 -3.9117 -3.9117 -0.7812 -0.7812 -0.7766 -0.7766 0.1532 0.1532 0.1587 0.1587 1.6962 1.6962 1.6978 1.6978 2.9341 2.9341 2.9363 2.9363 4.7842 4.7842 4.7892 4.7892 10.0879 10.0879 10.0936 10.0936 10.5423 10.5423 10.5431 10.5431 k = 0.3905 0.4015 0.2476 ( 1796 PWs) bands (ev): -13.4131 -13.4131 -13.4130 -13.4130 -13.0136 -13.0136 -13.0136 -13.0136 -3.8892 -3.8892 -3.8882 -3.8882 -0.7541 -0.7541 -0.7491 -0.7491 0.1630 0.1630 0.1688 0.1688 1.6794 1.6794 1.6813 1.6813 2.9615 2.9615 2.9634 2.9634 4.8236 4.8236 4.8286 4.8286 10.0780 10.0780 10.0840 10.0840 10.5138 10.5138 10.5144 10.5144 k = 0.3841 0.3949 0.2476 ( 1796 PWs) bands (ev): -13.4463 -13.4463 -13.4462 -13.4462 -13.0064 -13.0064 -13.0063 -13.0063 -3.8644 -3.8644 -3.8633 -3.8633 -0.7268 -0.7268 -0.7216 -0.7216 0.1735 0.1735 0.1797 0.1797 1.6637 1.6637 1.6659 1.6659 2.9924 2.9924 2.9941 2.9941 4.8612 4.8612 4.8662 4.8662 10.0676 10.0676 10.0739 10.0739 10.4842 10.4842 10.4845 10.4845 k = 0.3777 0.3883 0.2476 ( 1796 PWs) bands (ev): -13.4810 -13.4810 -13.4809 -13.4809 -12.9986 -12.9986 -12.9985 -12.9985 -3.8384 -3.8384 -3.8372 -3.8372 -0.6996 -0.6996 -0.6941 -0.6941 0.1850 0.1850 0.1914 0.1914 1.6493 1.6493 1.6518 1.6518 3.0266 3.0266 3.0280 3.0280 4.8967 4.8967 4.9018 4.9018 10.0568 10.0568 10.0634 10.0634 10.4533 10.4533 10.4533 10.4533 k = 0.3713 0.3817 0.2476 ( 1796 PWs) bands (ev): -13.5171 -13.5171 -13.5169 -13.5169 -12.9903 -12.9903 -12.9902 -12.9902 -3.8111 -3.8111 -3.8099 -3.8099 -0.6728 -0.6728 -0.6670 -0.6670 0.1976 0.1976 0.2043 0.2043 1.6365 1.6365 1.6394 1.6394 3.0639 3.0639 3.0650 3.0650 4.9298 4.9298 4.9349 4.9349 10.0453 10.0453 10.0522 10.0522 10.4209 10.4209 10.4212 10.4212 k = 0.3649 0.3751 0.2476 ( 1792 PWs) bands (ev): -13.5543 -13.5543 -13.5542 -13.5542 -12.9816 -12.9816 -12.9815 -12.9815 -3.7826 -3.7826 -3.7813 -3.7813 -0.6468 -0.6468 -0.6407 -0.6407 0.2116 0.2116 0.2185 0.2185 1.6257 1.6257 1.6289 1.6289 3.1041 3.1041 3.1050 3.1050 4.9604 4.9604 4.9655 4.9655 10.0333 10.0333 10.0404 10.0404 10.3875 10.3875 10.3881 10.3881 k = 0.3585 0.3686 0.2476 ( 1784 PWs) bands (ev): -13.5927 -13.5927 -13.5926 -13.5926 -12.9725 -12.9725 -12.9724 -12.9724 -3.7529 -3.7529 -3.7515 -3.7515 -0.6218 -0.6218 -0.6155 -0.6155 0.2272 0.2272 0.2342 0.2342 1.6171 1.6171 1.6206 1.6206 3.1471 3.1471 3.1477 3.1477 4.9883 4.9883 4.9933 4.9933 10.0204 10.0204 10.0278 10.0278 10.3530 10.3530 10.3540 10.3540 k = 0.3521 0.3620 0.2476 ( 1796 PWs) bands (ev): -13.6322 -13.6322 -13.6321 -13.6321 -12.9630 -12.9630 -12.9629 -12.9629 -3.7221 -3.7221 -3.7207 -3.7207 -0.5981 -0.5981 -0.5918 -0.5918 0.2446 0.2446 0.2518 0.2518 1.6108 1.6108 1.6147 1.6147 3.1926 3.1926 3.1930 3.1930 5.0131 5.0131 5.0182 5.0182 10.0067 10.0067 10.0143 10.0143 10.3177 10.3177 10.3190 10.3190 k = 0.3457 0.3554 0.2476 ( 1796 PWs) bands (ev): -13.6725 -13.6725 -13.6724 -13.6724 -12.9532 -12.9532 -12.9531 -12.9531 -3.6901 -3.6901 -3.6887 -3.6887 -0.5762 -0.5762 -0.5697 -0.5697 0.2643 0.2643 0.2714 0.2714 1.6070 1.6070 1.6112 1.6112 3.2405 3.2405 3.2406 3.2406 5.0349 5.0349 5.0399 5.0399 9.9918 9.9918 9.9996 9.9996 10.2816 10.2816 10.2833 10.2833 k = 0.3393 0.3488 0.2476 ( 1796 PWs) bands (ev): -13.7137 -13.7137 -13.7136 -13.7136 -12.9431 -12.9431 -12.9430 -12.9430 -3.6571 -3.6571 -3.6556 -3.6556 -0.5562 -0.5562 -0.5496 -0.5496 0.2864 0.2864 0.2935 0.2935 1.6059 1.6059 1.6104 1.6104 3.2905 3.2905 3.2906 3.2906 5.0535 5.0535 5.0585 5.0585 9.9755 9.9755 9.9834 9.9834 10.2452 10.2452 10.2471 10.2471 k = 0.3329 0.3422 0.2476 ( 1792 PWs) bands (ev): -13.7556 -13.7556 -13.7555 -13.7555 -12.9327 -12.9327 -12.9326 -12.9326 -3.6230 -3.6230 -3.6214 -3.6214 -0.5383 -0.5383 -0.5318 -0.5318 0.3111 0.3111 0.3182 0.3182 1.6073 1.6073 1.6122 1.6122 3.3423 3.3423 3.3427 3.3427 5.0688 5.0688 5.0737 5.0737 9.9574 9.9574 9.9654 9.9654 10.2086 10.2086 10.2108 10.2108 k = 0.3265 0.3357 0.2476 ( 1788 PWs) bands (ev): -13.7981 -13.7981 -13.7980 -13.7980 -12.9220 -12.9220 -12.9219 -12.9219 -3.5879 -3.5879 -3.5863 -3.5863 -0.5227 -0.5227 -0.5163 -0.5163 0.3388 0.3388 0.3457 0.3457 1.6115 1.6115 1.6166 1.6166 3.3960 3.3960 3.3966 3.3966 5.0807 5.0807 5.0856 5.0856 9.9369 9.9369 9.9449 9.9449 10.1725 10.1725 10.1749 10.1749 k = 0.3201 0.3291 0.2476 ( 1796 PWs) bands (ev): -13.8412 -13.8412 -13.8410 -13.8410 -12.9112 -12.9112 -12.9111 -12.9111 -3.5519 -3.5519 -3.5502 -3.5502 -0.5095 -0.5095 -0.5032 -0.5032 0.3694 0.3694 0.3761 0.3761 1.6184 1.6184 1.6238 1.6238 3.4513 3.4513 3.4521 3.4521 5.0891 5.0891 5.0940 5.0940 9.9134 9.9134 9.9212 9.9212 10.1373 10.1373 10.1397 10.1397 k = 0.3137 0.3225 0.2476 ( 1800 PWs) bands (ev): -13.8847 -13.8847 -13.8846 -13.8846 -12.9002 -12.9002 -12.9001 -12.9001 -3.5149 -3.5149 -3.5131 -3.5131 -0.4986 -0.4986 -0.4925 -0.4925 0.4031 0.4031 0.4095 0.4095 1.6279 1.6279 1.6335 1.6335 3.5080 3.5080 3.5090 3.5090 5.0941 5.0941 5.0989 5.0989 9.8863 9.8863 9.8936 9.8936 10.1039 10.1039 10.1061 10.1061 k = 0.3073 0.3159 0.2476 ( 1798 PWs) bands (ev): -13.9286 -13.9286 -13.9284 -13.9284 -12.8890 -12.8890 -12.8889 -12.8889 -3.4770 -3.4770 -3.4752 -3.4752 -0.4899 -0.4899 -0.4840 -0.4840 0.4398 0.4398 0.4459 0.4459 1.6400 1.6400 1.6459 1.6459 3.5660 3.5660 3.5672 3.5672 5.0957 5.0957 5.1004 5.1004 9.8550 9.8550 9.8616 9.8616 10.0727 10.0727 10.0745 10.0745 k = 0.3009 0.3093 0.2476 ( 1794 PWs) bands (ev): -13.9727 -13.9727 -13.9726 -13.9726 -12.8776 -12.8776 -12.8775 -12.8775 -3.4383 -3.4383 -3.4364 -3.4364 -0.4832 -0.4832 -0.4777 -0.4777 0.4794 0.4794 0.4852 0.4852 1.6546 1.6546 1.6608 1.6608 3.6251 3.6251 3.6265 3.6265 5.0937 5.0937 5.0983 5.0983 9.8190 9.8190 9.8248 9.8248 10.0440 10.0440 10.0453 10.0453 k = 0.2945 0.3027 0.2476 ( 1798 PWs) bands (ev): -14.0171 -14.0171 -14.0169 -14.0169 -12.8662 -12.8662 -12.8661 -12.8661 -3.3988 -3.3988 -3.3969 -3.3969 -0.4785 -0.4785 -0.4731 -0.4731 0.5219 0.5219 0.5273 0.5273 1.6717 1.6717 1.6782 1.6782 3.6851 3.6851 3.6866 3.6866 5.0884 5.0884 5.0929 5.0929 9.7784 9.7784 9.7833 9.7833 10.0177 10.0177 10.0183 10.0183 k = 0.2881 0.2962 0.2476 ( 1798 PWs) bands (ev): -14.0615 -14.0615 -14.0614 -14.0614 -12.8546 -12.8546 -12.8545 -12.8545 -3.3586 -3.3586 -3.3566 -3.3566 -0.4752 -0.4752 -0.4702 -0.4702 0.5669 0.5669 0.5721 0.5721 1.6911 1.6911 1.6978 1.6978 3.7457 3.7457 3.7475 3.7475 5.0796 5.0796 5.0841 5.0841 9.7334 9.7334 9.7374 9.7374 9.9933 9.9933 9.9933 9.9933 k = 0.2817 0.2896 0.2476 ( 1794 PWs) bands (ev): -14.1060 -14.1060 -14.1059 -14.1059 -12.8430 -12.8430 -12.8429 -12.8429 -3.3176 -3.3176 -3.3155 -3.3155 -0.4733 -0.4733 -0.4686 -0.4686 0.6145 0.6145 0.6193 0.6193 1.7128 1.7128 1.7198 1.7198 3.8069 3.8069 3.8088 3.8088 5.0676 5.0676 5.0719 5.0719 9.6844 9.6844 9.6876 9.6876 9.9698 9.9698 9.9703 9.9703 k = 0.2753 0.2830 0.2476 ( 1798 PWs) bands (ev): -14.1505 -14.1505 -14.1503 -14.1503 -12.8314 -12.8314 -12.8313 -12.8313 -3.2760 -3.2760 -3.2739 -3.2739 -0.4725 -0.4725 -0.4681 -0.4681 0.6643 0.6643 0.6687 0.6687 1.7367 1.7367 1.7439 1.7439 3.8684 3.8684 3.8705 3.8705 5.0522 5.0522 5.0565 5.0565 9.6320 9.6320 9.6344 9.6344 9.9473 9.9473 9.9483 9.9483 k = 0.2689 0.2764 0.2476 ( 1794 PWs) bands (ev): -14.1948 -14.1948 -14.1947 -14.1947 -12.8197 -12.8197 -12.8196 -12.8196 -3.2338 -3.2338 -3.2317 -3.2317 -0.4724 -0.4724 -0.4682 -0.4682 0.7161 0.7161 0.7202 0.7202 1.7627 1.7627 1.7702 1.7702 3.9301 3.9301 3.9323 3.9323 5.0337 5.0337 5.0379 5.0379 9.5765 9.5765 9.5783 9.5783 9.9254 9.9254 9.9268 9.9268 k = 0.2625 0.2698 0.2476 ( 1794 PWs) bands (ev): -14.2390 -14.2390 -14.2388 -14.2388 -12.8080 -12.8080 -12.8079 -12.8079 -3.1911 -3.1911 -3.1889 -3.1889 -0.4728 -0.4728 -0.4689 -0.4689 0.7697 0.7697 0.7735 0.7735 1.7908 1.7908 1.7984 1.7984 3.9917 3.9917 3.9941 3.9941 5.0121 5.0121 5.0162 5.0162 9.5183 9.5183 9.5195 9.5195 9.9037 9.9037 9.9054 9.9054 k = 0.2561 0.2633 0.2476 ( 1798 PWs) bands (ev): -14.2829 -14.2829 -14.2828 -14.2828 -12.7964 -12.7964 -12.7963 -12.7963 -3.1479 -3.1479 -3.1457 -3.1457 -0.4734 -0.4734 -0.4698 -0.4698 0.8250 0.8250 0.8285 0.8285 1.8207 1.8207 1.8286 1.8286 4.0530 4.0530 4.0556 4.0556 4.9876 4.9876 4.9916 4.9916 9.4577 9.4577 9.4583 9.4583 9.8820 9.8820 9.8839 9.8839 k = 0.2497 0.2567 0.2476 ( 1798 PWs) bands (ev): -14.3265 -14.3265 -14.3264 -14.3264 -12.7848 -12.7848 -12.7847 -12.7847 -3.1043 -3.1043 -3.1020 -3.1020 -0.4741 -0.4741 -0.4708 -0.4708 0.8818 0.8818 0.8850 0.8850 1.8525 1.8525 1.8606 1.8606 4.1140 4.1140 4.1167 4.1167 4.9602 4.9602 4.9642 4.9642 9.3948 9.3948 9.3951 9.3951 9.8601 9.8601 9.8621 9.8621 k = 0.2433 0.2501 0.2476 ( 1800 PWs) bands (ev): -14.3697 -14.3697 -14.3696 -14.3696 -12.7733 -12.7733 -12.7732 -12.7732 -3.0603 -3.0603 -3.0580 -3.0580 -0.4747 -0.4747 -0.4716 -0.4716 0.9398 0.9398 0.9427 0.9427 1.8862 1.8862 1.8944 1.8944 4.1743 4.1743 4.1771 4.1771 4.9301 4.9301 4.9340 4.9340 9.3299 9.3299 9.3300 9.3300 9.8378 9.8378 9.8399 9.8399 k = 0.2369 0.2435 0.2476 ( 1800 PWs) bands (ev): -14.4125 -14.4125 -14.4123 -14.4123 -12.7619 -12.7619 -12.7618 -12.7618 -3.0161 -3.0161 -3.0137 -3.0137 -0.4749 -0.4749 -0.4720 -0.4720 0.9989 0.9989 1.0016 1.0016 1.9216 1.9216 1.9299 1.9299 4.2338 4.2338 4.2367 4.2367 4.8975 4.8975 4.9013 4.9013 9.2629 9.2629 9.2634 9.2634 9.8150 9.8150 9.8172 9.8172 k = 0.2305 0.2369 0.2476 ( 1800 PWs) bands (ev): -14.4547 -14.4547 -14.4546 -14.4546 -12.7506 -12.7506 -12.7505 -12.7505 -2.9716 -2.9716 -2.9691 -2.9691 -0.4747 -0.4747 -0.4720 -0.4720 1.0590 1.0590 1.0615 1.0615 1.9586 1.9586 1.9671 1.9671 4.2922 4.2922 4.2953 4.2953 4.8625 4.8625 4.8662 4.8662 9.1943 9.1943 9.1951 9.1951 9.7917 9.7917 9.7939 9.7939 k = 0.2241 0.2304 0.2476 ( 1792 PWs) bands (ev): -14.4964 -14.4964 -14.4963 -14.4963 -12.7394 -12.7394 -12.7393 -12.7393 -2.9269 -2.9269 -2.9244 -2.9244 -0.4738 -0.4738 -0.4713 -0.4713 1.1198 1.1198 1.1222 1.1222 1.9973 1.9973 2.0059 2.0059 4.3495 4.3495 4.3527 4.3527 4.8252 4.8252 4.8288 4.8288 9.1243 9.1243 9.1253 9.1253 9.7678 9.7678 9.7700 9.7700 k = 0.2177 0.2238 0.2476 ( 1792 PWs) bands (ev): -14.5375 -14.5375 -14.5374 -14.5374 -12.7284 -12.7284 -12.7283 -12.7283 -2.8821 -2.8821 -2.8796 -2.8796 -0.4723 -0.4723 -0.4700 -0.4700 1.1813 1.1813 1.1835 1.1835 2.0376 2.0376 2.0463 2.0463 4.4052 4.4052 4.4087 4.4087 4.7859 4.7859 4.7894 4.7894 9.0528 9.0528 9.0541 9.0541 9.7433 9.7433 9.7455 9.7455 k = 0.2113 0.2172 0.2476 ( 1792 PWs) bands (ev): -14.5779 -14.5779 -14.5778 -14.5778 -12.7175 -12.7175 -12.7174 -12.7174 -2.8373 -2.8373 -2.8348 -2.8348 -0.4700 -0.4700 -0.4678 -0.4678 1.2433 1.2433 1.2454 1.2454 2.0794 2.0794 2.0882 2.0882 4.4591 4.4591 4.4628 4.4628 4.7450 4.7450 4.7483 4.7483 8.9802 8.9802 8.9817 8.9817 9.7183 9.7183 9.7204 9.7204 k = 0.2049 0.2106 0.2476 ( 1794 PWs) bands (ev): -14.6177 -14.6177 -14.6175 -14.6175 -12.7069 -12.7069 -12.7068 -12.7068 -2.7925 -2.7925 -2.7900 -2.7900 -0.4669 -0.4669 -0.4649 -0.4649 1.3056 1.3056 1.3077 1.3077 2.1228 2.1228 2.1316 2.1316 4.5104 4.5104 4.5144 4.5144 4.7032 4.7032 4.7062 4.7062 8.9065 8.9065 8.9081 8.9081 9.6928 9.6928 9.6948 9.6948 k = 0.1985 0.2040 0.2476 ( 1794 PWs) bands (ev): -14.6566 -14.6566 -14.6565 -14.6565 -12.6964 -12.6964 -12.6963 -12.6963 -2.7478 -2.7478 -2.7453 -2.7453 -0.4629 -0.4629 -0.4610 -0.4610 1.3682 1.3682 1.3703 1.3703 2.1676 2.1676 2.1764 2.1764 4.5564 4.5564 4.5610 4.5610 4.6631 4.6631 4.6655 4.6655 8.8318 8.8318 8.8336 8.8336 9.6668 9.6668 9.6688 9.6688 k = 0.1921 0.1974 0.2476 ( 1798 PWs) bands (ev): -14.6947 -14.6947 -14.6946 -14.6946 -12.6861 -12.6861 -12.6860 -12.6860 -2.7033 -2.7033 -2.7008 -2.7008 -0.4580 -0.4580 -0.4562 -0.4562 1.4309 1.4309 1.4330 1.4330 2.2139 2.2139 2.2226 2.2226 4.5777 4.5777 4.5834 4.5834 4.6441 4.6441 4.6455 4.6455 8.7564 8.7564 8.7582 8.7582 9.6404 9.6404 9.6423 9.6423 k = 0.1857 0.1909 0.2476 ( 1798 PWs) bands (ev): -14.7320 -14.7320 -14.7319 -14.7319 -12.6761 -12.6761 -12.6760 -12.6760 -2.6591 -2.6591 -2.6565 -2.6565 -0.4522 -0.4522 -0.4505 -0.4505 1.4936 1.4936 1.4957 1.4957 2.2615 2.2615 2.2703 2.2703 4.5471 4.5471 4.5519 4.5519 4.6735 4.6735 4.6759 4.6759 8.6802 8.6802 8.6822 8.6822 9.6137 9.6137 9.6155 9.6155 k = 0.1793 0.1843 0.2476 ( 1794 PWs) bands (ev): -14.7684 -14.7684 -14.7683 -14.7683 -12.6663 -12.6663 -12.6662 -12.6662 -2.6151 -2.6151 -2.6126 -2.6126 -0.4455 -0.4455 -0.4439 -0.4439 1.5562 1.5562 1.5583 1.5583 2.3105 2.3105 2.3192 2.3192 4.5012 4.5012 4.5055 4.5055 4.7147 4.7147 4.7176 4.7176 8.6036 8.6036 8.6057 8.6057 9.5867 9.5867 9.5885 9.5885 k = 0.1728 0.1777 0.2476 ( 1786 PWs) bands (ev): -14.8038 -14.8038 -14.8037 -14.8037 -12.6568 -12.6568 -12.6567 -12.6567 -2.5716 -2.5716 -2.5690 -2.5690 -0.4378 -0.4378 -0.4364 -0.4364 1.6186 1.6186 1.6208 1.6208 2.3608 2.3608 2.3694 2.3694 4.4517 4.4517 4.4559 4.4559 4.7560 4.7560 4.7591 4.7591 8.5266 8.5266 8.5288 8.5288 9.5596 9.5596 9.5613 9.5613 k = 0.1664 0.1711 0.2476 ( 1786 PWs) bands (ev): -14.8383 -14.8383 -14.8382 -14.8382 -12.6475 -12.6475 -12.6474 -12.6474 -2.5285 -2.5285 -2.5260 -2.5260 -0.4294 -0.4294 -0.4280 -0.4280 1.6806 1.6806 1.6829 1.6829 2.4123 2.4123 2.4208 2.4208 4.4005 4.4005 4.4046 4.4046 4.7956 4.7956 4.7988 4.7988 8.4495 8.4495 8.4517 8.4517 9.5325 9.5325 9.5340 9.5340 k = 0.1600 0.1645 0.2476 ( 1790 PWs) bands (ev): -14.8717 -14.8717 -14.8717 -14.8717 -12.6386 -12.6386 -12.6385 -12.6385 -2.4860 -2.4860 -2.4835 -2.4835 -0.4201 -0.4201 -0.4188 -0.4188 1.7422 1.7422 1.7447 1.7447 2.4650 2.4650 2.4733 2.4733 4.3481 4.3481 4.3521 4.3521 4.8329 4.8329 4.8362 4.8362 8.3723 8.3723 8.3745 8.3745 9.5054 9.5054 9.5068 9.5068 k = 0.1536 0.1580 0.2476 ( 1794 PWs) bands (ev): -14.9042 -14.9042 -14.9041 -14.9041 -12.6299 -12.6299 -12.6298 -12.6298 -2.4441 -2.4441 -2.4416 -2.4416 -0.4100 -0.4100 -0.4088 -0.4088 1.8033 1.8033 1.8060 1.8060 2.5187 2.5187 2.5268 2.5268 4.2948 4.2948 4.2988 4.2988 4.8676 4.8676 4.8710 4.8710 8.2953 8.2953 8.2975 8.2975 9.4784 9.4784 9.4797 9.4798 k = 0.1472 0.1514 0.2476 ( 1790 PWs) bands (ev): -14.9355 -14.9355 -14.9354 -14.9354 -12.6215 -12.6215 -12.6214 -12.6214 -2.4029 -2.4029 -2.4004 -2.4004 -0.3993 -0.3993 -0.3981 -0.3981 1.8639 1.8639 1.8668 1.8668 2.5734 2.5734 2.5812 2.5812 4.2409 4.2409 4.2449 4.2449 4.8998 4.8998 4.9032 4.9032 8.2186 8.2186 8.2209 8.2209 9.4517 9.4517 9.4529 9.4529 k = 0.1408 0.1448 0.2476 ( 1794 PWs) bands (ev): -14.9657 -14.9657 -14.9656 -14.9656 -12.6135 -12.6135 -12.6134 -12.6134 -2.3625 -2.3625 -2.3601 -2.3601 -0.3879 -0.3879 -0.3868 -0.3868 1.9239 1.9239 1.9270 1.9270 2.6289 2.6289 2.6365 2.6365 4.1865 4.1865 4.1905 4.1905 4.9292 4.9292 4.9326 4.9326 8.1426 8.1426 8.1449 8.1449 9.4253 9.4253 9.4265 9.4265 k = 0.1344 0.1382 0.2476 ( 1794 PWs) bands (ev): -14.9947 -14.9947 -14.9947 -14.9947 -12.6057 -12.6057 -12.6056 -12.6056 -2.3230 -2.3230 -2.3206 -2.3206 -0.3760 -0.3760 -0.3750 -0.3750 1.9831 1.9831 1.9865 1.9865 2.6852 2.6852 2.6924 2.6924 4.1318 4.1318 4.1358 4.1358 4.9557 4.9557 4.9592 4.9592 8.0673 8.0673 8.0696 8.0696 9.3994 9.3994 9.4005 9.4005 k = 0.1280 0.1316 0.2476 ( 1790 PWs) bands (ev): -15.0226 -15.0226 -15.0226 -15.0226 -12.5983 -12.5983 -12.5982 -12.5982 -2.2844 -2.2844 -2.2821 -2.2821 -0.3637 -0.3637 -0.3626 -0.3626 2.0417 2.0417 2.0454 2.0454 2.7419 2.7419 2.7489 2.7489 4.0769 4.0769 4.0810 4.0810 4.9794 4.9794 4.9828 4.9828 7.9930 7.9930 7.9953 7.9953 9.3740 9.3740 9.3750 9.3750 k = 0.1216 0.1250 0.2476 ( 1790 PWs) bands (ev): -15.0493 -15.0493 -15.0493 -15.0493 -12.5912 -12.5912 -12.5911 -12.5911 -2.2469 -2.2469 -2.2447 -2.2447 -0.3510 -0.3510 -0.3500 -0.3500 2.0995 2.0995 2.1035 2.1035 2.7990 2.7990 2.8057 2.8057 4.0220 4.0220 4.0261 4.0261 5.0002 5.0002 5.0036 5.0036 7.9199 7.9199 7.9222 7.9222 9.3493 9.3493 9.3502 9.3502 k = 0.1152 0.1185 0.2476 ( 1792 PWs) bands (ev): -15.0748 -15.0748 -15.0747 -15.0747 -12.5844 -12.5844 -12.5844 -12.5844 -2.2105 -2.2105 -2.2084 -2.2084 -0.3380 -0.3380 -0.3371 -0.3371 2.1565 2.1565 2.1608 2.1608 2.8563 2.8563 2.8626 2.8626 3.9672 3.9672 3.9714 3.9714 5.0181 5.0181 5.0215 5.0215 7.8483 7.8483 7.8505 7.8505 9.3252 9.3252 9.3261 9.3261 k = 0.1088 0.1119 0.2476 ( 1792 PWs) bands (ev): -15.0990 -15.0990 -15.0990 -15.0990 -12.5780 -12.5780 -12.5780 -12.5780 -2.1754 -2.1754 -2.1733 -2.1733 -0.3249 -0.3249 -0.3240 -0.3240 2.2127 2.2127 2.2173 2.2173 2.9135 2.9135 2.9194 2.9194 3.9126 3.9126 3.9169 3.9169 5.0331 5.0331 5.0365 5.0365 7.7784 7.7784 7.7806 7.7806 9.3021 9.3021 9.3029 9.3029 k = 0.1024 0.1053 0.2476 ( 1788 PWs) bands (ev): -15.1220 -15.1220 -15.1219 -15.1219 -12.5720 -12.5720 -12.5719 -12.5719 -2.1416 -2.1416 -2.1396 -2.1396 -0.3118 -0.3118 -0.3109 -0.3109 2.2681 2.2681 2.2730 2.2730 2.9704 2.9704 2.9759 2.9759 3.8585 3.8585 3.8627 3.8627 5.0454 5.0454 5.0486 5.0486 7.7105 7.7105 7.7126 7.7126 9.2798 9.2798 9.2805 9.2805 k = 0.0960 0.0987 0.2476 ( 1780 PWs) bands (ev): -15.1436 -15.1436 -15.1436 -15.1436 -12.5663 -12.5663 -12.5662 -12.5662 -2.1092 -2.1092 -2.1073 -2.1073 -0.2987 -0.2987 -0.2979 -0.2979 2.3226 2.3226 2.3278 2.3278 3.0268 3.0268 3.0318 3.0318 3.8048 3.8048 3.8091 3.8091 5.0549 5.0549 5.0581 5.0581 7.6449 7.6449 7.6469 7.6469 9.2585 9.2585 9.2591 9.2591 k = 0.0896 0.0921 0.2476 ( 1780 PWs) bands (ev): -15.1640 -15.1640 -15.1639 -15.1639 -12.5609 -12.5609 -12.5609 -12.5609 -2.0783 -2.0783 -2.0765 -2.0765 -0.2858 -0.2858 -0.2850 -0.2850 2.3763 2.3763 2.3818 2.3818 3.0823 3.0823 3.0868 3.0868 3.7516 3.7516 3.7560 3.7560 5.0618 5.0618 5.0649 5.0649 7.5817 7.5817 7.5837 7.5837 9.2382 9.2382 9.2388 9.2388 k = 0.0832 0.0856 0.2476 ( 1780 PWs) bands (ev): -15.1830 -15.1830 -15.1830 -15.1830 -12.5559 -12.5559 -12.5559 -12.5559 -2.0490 -2.0490 -2.0473 -2.0473 -0.2732 -0.2732 -0.2725 -0.2725 2.4291 2.4291 2.4348 2.4348 3.1366 3.1366 3.1405 3.1405 3.6992 3.6992 3.7035 3.7035 5.0663 5.0663 5.0693 5.0693 7.5213 7.5213 7.5232 7.5232 9.2190 9.2190 9.2196 9.2196 k = 0.0768 0.0790 0.2476 ( 1776 PWs) bands (ev): -15.2007 -15.2007 -15.2006 -15.2006 -12.5513 -12.5513 -12.5512 -12.5512 -2.0214 -2.0214 -2.0198 -2.0198 -0.2610 -0.2610 -0.2603 -0.2603 2.4810 2.4810 2.4870 2.4870 3.1893 3.1893 3.1927 3.1927 3.6476 3.6476 3.6518 3.6518 5.0685 5.0685 5.0714 5.0714 7.4639 7.4639 7.4657 7.4657 9.2011 9.2011 9.2016 9.2016 k = 0.0704 0.0724 0.2476 ( 1772 PWs) bands (ev): -15.2170 -15.2170 -15.2170 -15.2170 -12.5470 -12.5470 -12.5470 -12.5470 -1.9956 -1.9956 -1.9941 -1.9941 -0.2493 -0.2493 -0.2487 -0.2487 2.5321 2.5321 2.5384 2.5384 3.2402 3.2402 3.2428 3.2428 3.5970 3.5970 3.6009 3.6009 5.0687 5.0687 5.0714 5.0714 7.4099 7.4099 7.4116 7.4116 9.1843 9.1843 9.1848 9.1848 k = 0.0640 0.0658 0.2476 ( 1772 PWs) bands (ev): -15.2319 -15.2319 -15.2319 -15.2319 -12.5431 -12.5431 -12.5431 -12.5431 -1.9717 -1.9717 -1.9704 -1.9704 -0.2383 -0.2383 -0.2377 -0.2377 2.5823 2.5823 2.5887 2.5887 3.2887 3.2887 3.2903 3.2903 3.5475 3.5475 3.5510 3.5510 5.0671 5.0671 5.0696 5.0696 7.3595 7.3595 7.3610 7.3610 9.1689 9.1689 9.1693 9.1693 k = 0.0576 0.0592 0.2476 ( 1776 PWs) bands (ev): -15.2455 -15.2455 -15.2455 -15.2455 -12.5396 -12.5396 -12.5396 -12.5396 -1.9498 -1.9498 -1.9485 -1.9485 -0.2279 -0.2279 -0.2274 -0.2274 2.6315 2.6315 2.6382 2.6382 3.3341 3.3341 3.3342 3.3342 3.4999 3.4999 3.5023 3.5023 5.0640 5.0640 5.0664 5.0664 7.3129 7.3129 7.3143 7.3143 9.1548 9.1548 9.1551 9.1551 k = 0.0512 0.0527 0.2476 ( 1768 PWs) bands (ev): -15.2577 -15.2577 -15.2576 -15.2576 -12.5364 -12.5364 -12.5364 -12.5364 -1.9299 -1.9299 -1.9288 -1.9288 -0.2184 -0.2184 -0.2179 -0.2179 2.6799 2.6799 2.6868 2.6868 3.3709 3.3709 3.3751 3.3751 3.4561 3.4561 3.4573 3.4573 5.0597 5.0597 5.0619 5.0619 7.2705 7.2705 7.2718 7.2718 9.1421 9.1421 9.1424 9.1424 k = 0.0448 0.0461 0.2476 ( 1772 PWs) bands (ev): -15.2684 -15.2684 -15.2684 -15.2684 -12.5336 -12.5336 -12.5336 -12.5336 -1.9121 -1.9121 -1.9111 -1.9111 -0.2097 -0.2097 -0.2093 -0.2093 2.7273 2.7273 2.7343 2.7343 3.3787 3.3787 3.3926 3.3926 3.4307 3.4307 3.4410 3.4410 5.0546 5.0546 5.0566 5.0566 7.2324 7.2324 7.2335 7.2335 9.1307 9.1307 9.1310 9.1310 k = 0.0384 0.0395 0.2476 ( 1768 PWs) bands (ev): -15.2778 -15.2778 -15.2777 -15.2777 -12.5312 -12.5312 -12.5312 -12.5312 -1.8966 -1.8966 -1.8957 -1.8957 -0.2020 -0.2020 -0.2017 -0.2017 2.7738 2.7738 2.7809 2.7809 3.3444 3.3444 3.3548 3.3548 3.4575 3.4575 3.4639 3.4639 5.0492 5.0492 5.0509 5.0509 7.1989 7.1989 7.1999 7.1999 9.1209 9.1209 9.1211 9.1211 k = 0.0320 0.0329 0.2476 ( 1772 PWs) bands (ev): -15.2857 -15.2857 -15.2857 -15.2857 -12.5292 -12.5292 -12.5291 -12.5291 -1.8833 -1.8833 -1.8826 -1.8826 -0.1954 -0.1954 -0.1951 -0.1951 2.8191 2.8191 2.8262 2.8262 3.3020 3.3020 3.3108 3.3108 3.4873 3.4873 3.4916 3.4916 5.0437 5.0437 5.0451 5.0451 7.1702 7.1702 7.1710 7.1710 9.1125 9.1125 9.1126 9.1126 k = 0.0256 0.0263 0.2476 ( 1770 PWs) bands (ev): -15.2922 -15.2922 -15.2922 -15.2922 -12.5275 -12.5275 -12.5275 -12.5275 -1.8723 -1.8723 -1.8717 -1.8717 -0.1899 -0.1899 -0.1896 -0.1896 2.8631 2.8631 2.8701 2.8701 3.2593 3.2593 3.2673 3.2673 3.5131 3.5131 3.5162 3.5162 5.0385 5.0385 5.0397 5.0397 7.1464 7.1464 7.1471 7.1471 9.1056 9.1056 9.1057 9.1057 k = 0.0192 0.0197 0.2476 ( 1772 PWs) bands (ev): -15.2972 -15.2972 -15.2972 -15.2972 -12.5262 -12.5262 -12.5262 -12.5262 -1.8637 -1.8637 -1.8633 -1.8633 -0.1855 -0.1855 -0.1853 -0.1853 2.9051 2.9051 2.9118 2.9118 3.2182 3.2182 3.2255 3.2255 3.5339 3.5339 3.5361 3.5361 5.0341 5.0341 5.0351 5.0351 7.1278 7.1278 7.1283 7.1283 9.1002 9.1002 9.1003 9.1003 k = 0.0128 0.0132 0.2476 ( 1772 PWs) bands (ev): -15.3008 -15.3008 -15.3008 -15.3008 -12.5253 -12.5253 -12.5252 -12.5252 -1.8575 -1.8575 -1.8572 -1.8572 -0.1824 -0.1824 -0.1822 -0.1822 2.9436 2.9436 2.9496 2.9496 3.1808 3.1808 3.1871 3.1871 3.5491 3.5491 3.5505 3.5505 5.0308 5.0308 5.0314 5.0314 7.1145 7.1145 7.1148 7.1148 9.0963 9.0963 9.0964 9.0964 k = 0.0064 0.0066 0.2476 ( 1776 PWs) bands (ev): -15.3030 -15.3030 -15.3030 -15.3030 -12.5247 -12.5247 -12.5247 -12.5247 -1.8538 -1.8538 -1.8536 -1.8536 -0.1805 -0.1805 -0.1804 -0.1804 2.9748 2.9748 2.9788 2.9788 3.1518 3.1518 3.1559 3.1559 3.5585 3.5585 3.5592 3.5592 5.0287 5.0287 5.0290 5.0290 7.1065 7.1065 7.1066 7.1066 9.0940 9.0940 9.0940 9.0940 k = 0.0000 0.0000 0.2476 ( 1776 PWs) bands (ev): -15.3037 -15.3037 -15.3037 -15.3037 -12.5245 -12.5245 -12.5245 -12.5245 -1.8525 -1.8525 -1.8525 -1.8525 -0.1798 -0.1798 -0.1798 -0.1798 2.9894 2.9894 2.9894 2.9894 3.1412 3.1412 3.1412 3.1412 3.5619 3.5619 3.5619 3.5619 5.0281 5.0281 5.0281 5.0281 7.1038 7.1038 7.1038 7.1038 9.0933 9.0933 9.0933 9.0933 k = 0.0000 0.0000 0.2476 ( 1776 PWs) bands (ev): -15.3037 -15.3037 -15.3037 -15.3037 -12.5245 -12.5245 -12.5245 -12.5245 -1.8525 -1.8525 -1.8525 -1.8525 -0.1798 -0.1798 -0.1798 -0.1798 2.9894 2.9894 2.9894 2.9894 3.1412 3.1412 3.1412 3.1412 3.5619 3.5619 3.5619 3.5619 5.0281 5.0281 5.0281 5.0281 7.1038 7.1038 7.1038 7.1038 9.0933 9.0933 9.0933 9.0933 k = 0.0000 0.0000 0.2384 ( 1780 PWs) bands (ev): -15.3413 -15.3413 -15.2650 -15.2650 -12.5579 -12.5579 -12.4923 -12.4923 -1.8823 -1.8823 -1.8209 -1.8209 -0.2336 -0.2336 -0.1272 -0.1272 2.9870 2.9870 2.9896 2.9896 3.1104 3.1104 3.1730 3.1730 3.5240 3.5240 3.6042 3.6042 5.0126 5.0126 5.0429 5.0429 7.0714 7.0714 7.1363 7.1363 9.0031 9.0031 9.1820 9.1820 k = 0.0000 0.0000 0.2293 ( 1774 PWs) bands (ev): -15.3778 -15.3778 -15.2252 -15.2252 -12.5926 -12.5926 -12.4613 -12.4613 -1.9103 -1.9103 -1.7878 -1.7878 -0.2882 -0.2882 -0.0759 -0.0759 2.9814 2.9814 2.9882 2.9882 3.0805 3.0805 3.2056 3.2056 3.4912 3.4912 3.6500 3.6500 4.9964 4.9964 5.0569 5.0569 7.0390 7.0390 7.1687 7.1687 8.9119 8.9119 9.2694 9.2694 k = 0.0000 0.0000 0.2201 ( 1772 PWs) bands (ev): -15.4131 -15.4131 -15.1845 -15.1845 -12.6284 -12.6284 -12.4316 -12.4316 -1.9364 -1.9364 -1.7531 -1.7531 -0.3435 -0.3435 -0.0263 -0.0263 2.9719 2.9719 2.9860 2.9860 3.0516 3.0516 3.2389 3.2389 3.4642 3.4642 3.6987 3.6987 4.9794 4.9794 5.0702 5.0702 7.0069 7.0069 7.2009 7.2009 8.8199 8.8199 9.3550 9.3550 k = 0.0000 0.0000 0.2109 ( 1768 PWs) bands (ev): -15.4472 -15.4472 -15.1427 -15.1427 -12.6653 -12.6653 -12.4031 -12.4031 -1.9606 -1.9606 -1.7171 -1.7171 -0.3992 -0.3992 0.0214 0.0214 2.9581 2.9581 2.9836 2.9836 3.0239 3.0239 3.2730 3.2730 3.4433 3.4433 3.7496 3.7496 4.9616 4.9616 5.0829 5.0829 6.9751 6.9751 7.2327 7.2327 8.7272 8.7272 9.4388 9.4388 k = 0.0000 0.0000 0.2018 ( 1768 PWs) bands (ev): -15.4801 -15.4801 -15.1001 -15.1001 -12.7033 -12.7033 -12.3759 -12.3759 -1.9828 -1.9828 -1.6798 -1.6798 -0.4551 -0.4551 0.0669 0.0669 2.9400 2.9400 2.9807 2.9807 2.9982 2.9982 3.3078 3.3078 3.4285 3.4285 3.8022 3.8022 4.9430 4.9430 5.0949 5.0949 6.9437 6.9437 7.2641 7.2641 8.6343 8.6343 9.5205 9.5205 k = 0.0000 0.0000 0.1926 ( 1768 PWs) bands (ev): -15.5117 -15.5117 -15.0566 -15.0566 -12.7424 -12.7424 -12.3500 -12.3500 -2.0029 -2.0029 -1.6414 -1.6414 -0.5110 -0.5110 0.1100 0.1100 2.9181 2.9181 2.9675 2.9675 2.9849 2.9849 3.3431 3.3431 3.4194 3.4194 3.8558 3.8558 4.9235 4.9235 5.1062 5.1062 6.9129 6.9129 7.2950 7.2950 8.5413 8.5413 9.5881 9.5881 k = 0.0000 0.0000 0.1834 ( 1766 PWs) bands (ev): -15.5420 -15.5420 -15.0123 -15.0123 -12.7825 -12.7825 -12.3254 -12.3254 -2.0210 -2.0210 -1.6020 -1.6020 -0.5667 -0.5667 0.1504 0.1504 2.8929 2.8929 2.9438 2.9438 2.9844 2.9844 3.3790 3.3790 3.4153 3.4153 3.9101 3.9101 4.9033 4.9033 5.1169 5.1169 6.8828 6.8828 7.3252 7.3252 8.4488 8.4488 9.5012 9.5012 k = 0.0000 0.0000 0.1743 ( 1762 PWs) bands (ev): -15.5709 -15.5709 -14.9673 -14.9673 -12.8234 -12.8234 -12.3020 -12.3020 -2.0370 -2.0370 -1.5619 -1.5619 -0.6219 -0.6219 0.1879 0.1879 2.8654 2.8654 2.9201 2.9201 2.9870 2.9870 3.4131 3.4131 3.4176 3.4176 3.9647 3.9647 4.8823 4.8823 5.1270 5.1270 6.8534 6.8534 7.3547 7.3547 8.3570 8.3570 9.4147 9.4147 k = 0.0000 0.0000 0.1651 ( 1766 PWs) bands (ev): -15.5986 -15.5986 -14.9217 -14.9217 -12.8653 -12.8653 -12.2799 -12.2799 -2.0509 -2.0509 -1.5213 -1.5213 -0.6766 -0.6766 0.2223 0.2223 2.8363 2.8363 2.8972 2.8972 2.9918 2.9918 3.4182 3.4182 3.4526 3.4526 4.0189 4.0189 4.8604 4.8604 5.1365 5.1365 6.8249 6.8249 7.3834 7.3834 8.2664 8.2664 9.3292 9.3292 k = 0.0000 0.0000 0.1559 ( 1768 PWs) bands (ev): -15.6248 -15.6248 -14.8755 -14.8755 -12.9079 -12.9079 -12.2591 -12.2591 -2.0629 -2.0629 -1.4803 -1.4803 -0.7304 -0.7304 0.2535 0.2535 2.8064 2.8064 2.8753 2.8753 2.9990 2.9990 3.4238 3.4238 3.4897 3.4897 4.0725 4.0725 4.8377 4.8377 5.1454 5.1454 6.7974 6.7974 7.4111 7.4111 8.1774 8.1774 9.2450 9.2450 k = 0.0000 0.0000 0.1467 ( 1772 PWs) bands (ev): -15.6497 -15.6497 -14.8289 -14.8289 -12.9511 -12.9511 -12.2396 -12.2396 -2.0727 -2.0727 -1.4391 -1.4391 -0.7833 -0.7833 0.2812 0.2812 2.7763 2.7763 2.8545 2.8545 3.0086 3.0086 3.4312 3.4312 3.5272 3.5272 4.1251 4.1251 4.8143 4.8143 5.1536 5.1536 6.7709 6.7709 7.4378 7.4378 8.0904 8.0904 9.1623 9.1623 k = 0.0000 0.0000 0.1376 ( 1776 PWs) bands (ev): -15.6731 -15.6731 -14.7820 -14.7820 -12.9950 -12.9950 -12.2213 -12.2213 -2.0806 -2.0806 -1.3980 -1.3980 -0.8349 -0.8349 0.3055 0.3055 2.7466 2.7466 2.8349 2.8349 3.0208 3.0208 3.4397 3.4397 3.5648 3.5648 4.1761 4.1761 4.7901 4.7901 5.1614 5.1614 6.7455 6.7455 7.4634 7.4634 8.0060 8.0060 9.0814 9.0814 k = 0.0000 0.0000 0.1284 ( 1768 PWs) bands (ev): -15.6951 -15.6951 -14.7348 -14.7348 -13.0393 -13.0393 -12.2043 -12.2043 -2.0866 -2.0866 -1.3572 -1.3572 -0.8852 -0.8852 0.3264 0.3264 2.7177 2.7177 2.8164 2.8164 3.0354 3.0354 3.4489 3.4489 3.6026 3.6026 4.2254 4.2254 4.7652 4.7652 5.1686 5.1686 6.7214 6.7214 7.4878 7.4878 7.9247 7.9247 9.0028 9.0028 k = 0.0000 0.0000 0.1192 ( 1768 PWs) bands (ev): -15.7157 -15.7157 -14.6875 -14.6875 -13.0838 -13.0838 -12.1885 -12.1885 -2.0908 -2.0908 -1.3171 -1.3171 -0.9338 -0.9338 0.3438 0.3438 2.6898 2.6898 2.7992 2.7992 3.0522 3.0522 3.4585 3.4585 3.6403 3.6403 4.2723 4.2723 4.7397 4.7397 5.1753 5.1753 6.6986 6.6986 7.5108 7.5108 7.8470 7.8470 8.9265 8.9265 k = 0.0000 0.0000 0.1101 ( 1768 PWs) bands (ev): -15.7348 -15.7348 -14.6404 -14.6404 -13.1285 -13.1285 -12.1739 -12.1739 -2.0933 -2.0933 -1.2779 -1.2779 -0.9806 -0.9806 0.3580 0.3580 2.6633 2.6633 2.7831 2.7831 3.0711 3.0711 3.4682 3.4682 3.6778 3.6778 4.3166 4.3166 4.7137 4.7137 5.1814 5.1814 6.6773 6.6773 7.5325 7.5325 7.7733 7.7733 8.8530 8.8530 k = 0.0000 0.0000 0.1009 ( 1774 PWs) bands (ev): -15.7524 -15.7524 -14.5936 -14.5936 -13.1731 -13.1731 -12.1605 -12.1605 -2.0943 -2.0943 -1.2398 -1.2398 -1.0254 -1.0254 0.3691 0.3691 2.6383 2.6383 2.7683 2.7683 3.0917 3.0917 3.4776 3.4776 3.7150 3.7150 4.3580 4.3580 4.6872 4.6872 5.1871 5.1871 6.6573 6.6573 7.5527 7.5527 7.7043 7.7043 8.7828 8.7828 k = 0.0000 0.0000 0.0917 ( 1776 PWs) bands (ev): -15.7686 -15.7686 -14.5474 -14.5474 -13.2173 -13.2173 -12.1484 -12.1484 -2.0938 -2.0938 -1.2034 -1.2034 -1.0678 -1.0678 0.3773 0.3773 2.6152 2.6152 2.7548 2.7548 3.1136 3.1136 3.4868 3.4868 3.7516 3.7516 4.3960 4.3960 4.6605 4.6605 5.1922 5.1922 6.6389 6.6389 7.5713 7.5713 7.6404 7.6404 8.7161 8.7161 k = 0.0000 0.0000 0.0825 ( 1772 PWs) bands (ev): -15.7832 -15.7832 -14.5020 -14.5020 -13.2608 -13.2608 -12.1374 -12.1374 -2.0921 -2.0921 -1.1688 -1.1688 -1.1076 -1.1076 0.3831 0.3831 2.5939 2.5939 2.7425 2.7425 3.1363 3.1363 3.4954 3.4954 3.7876 3.7876 4.4305 4.4305 4.6336 4.6336 5.1968 5.1968 6.6221 6.6221 7.5784 7.5784 7.5918 7.5918 8.6535 8.6535 k = 0.0000 0.0000 0.0734 ( 1780 PWs) bands (ev): -15.7963 -15.7963 -14.4580 -14.4580 -13.3032 -13.3032 -12.1277 -12.1277 -2.0895 -2.0895 -1.1448 -1.1448 -1.1363 -1.1363 0.3866 0.3866 2.5745 2.5745 2.7314 2.7314 3.1591 3.1591 3.5034 3.5034 3.8224 3.8224 4.4613 4.4613 4.6070 4.6070 5.2009 5.2009 6.6069 6.6069 7.5280 7.5280 7.6049 7.6049 8.5955 8.5955 k = 0.0000 0.0000 0.0642 ( 1776 PWs) bands (ev): -15.8079 -15.8079 -14.4158 -14.4158 -13.3441 -13.3441 -12.1191 -12.1191 -2.0861 -2.0861 -1.1784 -1.1784 -1.1067 -1.1067 0.3884 0.3884 2.5573 2.5573 2.7217 2.7217 3.1816 3.1816 3.5107 3.5107 3.8558 3.8558 4.4882 4.4882 4.5809 4.5809 5.2045 5.2045 6.5934 6.5934 7.4814 7.4814 7.6185 7.6185 8.5425 8.5425 k = 0.0000 0.0000 0.0550 ( 1780 PWs) bands (ev): -15.8180 -15.8180 -14.3759 -14.3759 -13.3827 -13.3827 -12.1116 -12.1116 -2.0823 -2.0823 -1.2087 -1.2087 -1.0800 -1.0800 0.3889 0.3889 2.5423 2.5423 2.7132 2.7132 3.2029 3.2029 3.5171 3.5171 3.8874 3.8874 4.5111 4.5111 4.5557 4.5557 5.2076 5.2076 6.5816 6.5816 7.4408 7.4408 7.6306 7.6306 8.4952 8.4952 k = 0.0000 0.0000 0.0459 ( 1776 PWs) bands (ev): -15.8265 -15.8265 -14.3393 -14.3393 -13.4183 -13.4183 -12.1054 -12.1054 -2.0784 -2.0784 -1.2351 -1.2351 -1.0566 -1.0566 0.3883 0.3883 2.5295 2.5295 2.7060 2.7060 3.2224 3.2224 3.5227 3.5227 3.9165 3.9165 4.5302 4.5302 4.5321 4.5321 5.2103 5.2103 6.5716 6.5716 7.4067 7.4067 7.6409 7.6409 8.4539 8.4539 k = 0.0000 0.0000 0.0367 ( 1776 PWs) bands (ev): -15.8335 -15.8335 -14.3068 -14.3068 -13.4500 -13.4500 -12.1002 -12.1002 -2.0746 -2.0746 -1.2574 -1.2574 -1.0369 -1.0369 0.3873 0.3873 2.5189 2.5189 2.7001 2.7001 3.2395 3.2395 3.5273 3.5273 3.9424 3.9424 4.5106 4.5106 4.5454 4.5454 5.2124 5.2124 6.5633 6.5633 7.3788 7.3788 7.6494 7.6494 8.4193 8.4193 k = 0.0000 0.0000 0.0275 ( 1776 PWs) bands (ev): -15.8389 -15.8389 -14.2796 -14.2796 -13.4765 -13.4765 -12.0963 -12.0963 -2.0712 -2.0712 -1.2751 -1.2751 -1.0212 -1.0212 0.3860 0.3860 2.5107 2.5107 2.6955 2.6955 3.2535 3.2535 3.5309 3.5309 3.9642 3.9642 4.4924 4.4924 4.5571 4.5571 5.2141 5.2141 6.5569 6.5569 7.3573 7.3573 7.6560 7.6560 8.3917 8.3917 k = 0.0000 0.0000 0.0183 ( 1780 PWs) bands (ev): -15.8428 -15.8428 -14.2590 -14.2590 -13.4967 -13.4967 -12.0934 -12.0934 -2.0686 -2.0686 -1.2880 -1.2880 -1.0098 -1.0098 0.3849 0.3849 2.5048 2.5048 2.6922 2.6922 3.2639 3.2639 3.5335 3.5335 3.9808 3.9808 4.4782 4.4782 4.5652 4.5652 5.2153 5.2153 6.5523 6.5523 7.3420 7.3420 7.6608 7.6608 8.3717 8.3717 k = 0.0000 0.0000 0.0092 ( 1785 PWs) bands (ev): -15.8452 -15.8452 -14.2460 -14.2460 -13.5095 -13.5095 -12.0917 -12.0917 -2.0669 -2.0669 -1.2958 -1.2958 -1.0029 -1.0029 0.3841 0.3841 2.5012 2.5012 2.6903 2.6903 3.2703 3.2703 3.5351 3.5351 3.9913 3.9913 4.4693 4.4693 4.5700 4.5700 5.2160 5.2160 6.5495 6.5495 7.3329 7.3329 7.6636 7.6636 8.3596 8.3596 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -15.8460 -15.8460 -14.2415 -14.2415 -13.5138 -13.5138 -12.0912 -12.0912 -2.0664 -2.0664 -1.2984 -1.2984 -1.0005 -1.0005 0.3838 0.3838 2.5000 2.5000 2.6896 2.6896 3.2725 3.2725 3.5356 3.5356 3.9949 3.9949 4.4662 4.4662 4.5716 4.5716 5.2162 5.2162 6.5486 6.5486 7.3298 7.3298 7.6646 7.6646 8.3555 8.3555 k = 0.0000 0.0000 0.0000 ( 1785 PWs) bands (ev): -15.8460 -15.8460 -14.2415 -14.2415 -13.5138 -13.5138 -12.0912 -12.0912 -2.0664 -2.0664 -1.2984 -1.2984 -1.0005 -1.0005 0.3838 0.3838 2.5000 2.5000 2.6896 2.6896 3.2725 3.2725 3.5356 3.5356 3.9949 3.9949 4.4662 4.4662 4.5716 4.5716 5.2162 5.2162 6.5486 6.5486 7.3298 7.3298 7.6646 7.6646 8.3555 8.3555 k =-0.0066 0.0064-0.0000 ( 1781 PWs) bands (ev): -15.8452 -15.8452 -14.2411 -14.2411 -13.5134 -13.5134 -12.0917 -12.0917 -2.0665 -2.0665 -1.3106 -1.3106 -0.9891 -0.9891 0.3813 0.3813 2.5020 2.5020 2.6848 2.6848 3.2688 3.2688 3.5370 3.5370 3.9946 3.9946 4.4588 4.4588 4.5733 4.5733 5.2204 5.2204 6.5532 6.5532 7.3299 7.3299 7.6678 7.6678 8.3590 8.3590 k =-0.0132 0.0128-0.0000 ( 1781 PWs) bands (ev): -15.8428 -15.8428 -14.2396 -14.2396 -13.5123 -13.5123 -12.0933 -12.0933 -2.0671 -2.0671 -1.3428 -1.3428 -0.9590 -0.9590 0.3738 0.3738 2.5078 2.5078 2.6705 2.6705 3.2576 3.2576 3.5412 3.5412 3.9938 3.9938 4.4374 4.4374 4.5785 4.5785 5.2323 5.2323 6.5669 6.5669 7.3301 7.3301 7.6776 7.6776 8.3693 8.3693 k =-0.0197 0.0192-0.0000 ( 1777 PWs) bands (ev): -15.8388 -15.8388 -14.2372 -14.2372 -13.5105 -13.5105 -12.0960 -12.0960 -2.0680 -2.0680 -1.3872 -1.3872 -0.9182 -0.9182 0.3617 0.3617 2.5173 2.5173 2.6469 2.6469 3.2389 3.2389 3.5485 3.5485 3.9924 3.9924 4.4033 4.4033 4.5870 4.5870 5.2505 5.2505 6.5896 6.5896 7.3305 7.3305 7.6938 7.6938 8.3865 8.3865 k =-0.0263 0.0256-0.0000 ( 1775 PWs) bands (ev): -15.8332 -15.8332 -14.2339 -14.2339 -13.5080 -13.5080 -12.0998 -12.0998 -2.0693 -2.0693 -1.4386 -1.4386 -0.8718 -0.8718 0.3452 0.3452 2.5299 2.5299 2.6146 2.6146 3.2127 3.2127 3.5590 3.5590 3.9902 3.9902 4.3584 4.3584 4.5990 4.5990 5.2734 5.2734 6.6209 6.6209 7.3310 7.3310 7.7162 7.7162 8.4100 8.4100 k =-0.0329 0.0320-0.0000 ( 1775 PWs) bands (ev): -15.8260 -15.8260 -14.2296 -14.2296 -13.5048 -13.5048 -12.1046 -12.1046 -2.0711 -2.0711 -1.4940 -1.4940 -0.8228 -0.8228 0.3248 0.3248 2.5442 2.5442 2.5750 2.5750 3.1790 3.1790 3.5729 3.5729 3.9870 3.9870 4.3047 4.3047 4.6145 4.6145 5.2992 5.2992 6.6604 6.6604 7.3316 7.3316 7.7447 7.7447 8.4395 8.4395 k =-0.0395 0.0384-0.0000 ( 1775 PWs) bands (ev): -15.8172 -15.8172 -14.2244 -14.2244 -13.5008 -13.5008 -12.1105 -12.1105 -2.0734 -2.0734 -1.5518 -1.5518 -0.7729 -0.7729 0.3010 0.3010 2.5236 2.5236 2.5651 2.5651 3.1382 3.1382 3.5904 3.5904 3.9828 3.9828 4.2439 4.2439 4.6334 4.6334 5.3264 5.3264 6.7076 6.7076 7.3324 7.3324 7.7790 7.7790 8.4745 8.4745 k =-0.0461 0.0448-0.0000 ( 1775 PWs) bands (ev): -15.8069 -15.8069 -14.2183 -14.2183 -13.4961 -13.4961 -12.1174 -12.1174 -2.0763 -2.0763 -1.6112 -1.6112 -0.7228 -0.7228 0.2746 0.2746 2.4692 2.4692 2.5835 2.5835 3.0906 3.0906 3.6112 3.6112 3.9773 3.9773 4.1772 4.1772 4.6558 4.6558 5.3541 5.3541 6.7619 6.7619 7.3335 7.3335 7.8189 7.8189 8.5144 8.5144 k =-0.0526 0.0512-0.0000 ( 1777 PWs) bands (ev): -15.7950 -15.7950 -14.2112 -14.2112 -13.4908 -13.4908 -12.1254 -12.1254 -2.0799 -2.0799 -1.6715 -1.6715 -0.6732 -0.6732 0.2460 0.2460 2.4081 2.4081 2.6034 2.6034 3.0368 3.0368 3.6354 3.6354 3.9705 3.9705 4.1059 4.1059 4.6817 4.6817 5.3812 5.3812 6.8228 6.8228 7.3347 7.3347 7.8640 7.8640 8.5586 8.5586 k =-0.0592 0.0576-0.0000 ( 1781 PWs) bands (ev): -15.7815 -15.7815 -14.2032 -14.2032 -13.4848 -13.4848 -12.1343 -12.1343 -2.0843 -2.0843 -1.7325 -1.7325 -0.6244 -0.6244 0.2160 0.2160 2.3413 2.3413 2.6236 2.6236 2.9774 2.9774 3.6627 3.6627 3.9622 3.9622 4.0308 4.0308 4.7110 4.7110 5.4074 5.4074 6.8897 6.8897 7.3363 7.3363 7.9140 7.9140 8.6064 8.6064 k =-0.0658 0.0640-0.0000 ( 1777 PWs) bands (ev): -15.7665 -15.7665 -14.1944 -14.1944 -13.4781 -13.4781 -12.1443 -12.1443 -2.0895 -2.0895 -1.7938 -1.7938 -0.5766 -0.5766 0.1851 0.1851 2.2697 2.2697 2.6435 2.6435 2.9130 2.9130 3.6930 3.6930 3.9524 3.9524 3.9527 3.9527 4.7435 4.7435 5.4323 5.4323 6.9619 6.9619 7.3382 7.3382 7.9685 7.9685 8.6570 8.6570 k =-0.0724 0.0704-0.0000 ( 1785 PWs) bands (ev): -15.7499 -15.7499 -14.1846 -14.1846 -13.4707 -13.4707 -12.1552 -12.1552 -2.0958 -2.0958 -1.8553 -1.8553 -0.5303 -0.5303 0.1540 0.1540 2.1939 2.1939 2.6624 2.6624 2.8441 2.8441 3.7260 3.7260 3.8720 3.8720 3.9411 3.9411 4.7792 4.7792 5.4557 5.4557 7.0389 7.0389 7.3404 7.3404 8.0271 8.0271 8.7094 8.7094 k =-0.0789 0.0768-0.0000 ( 1781 PWs) bands (ev): -15.7317 -15.7317 -14.1740 -14.1740 -13.4627 -13.4627 -12.1670 -12.1670 -2.1032 -2.1032 -1.9168 -1.9168 -0.4854 -0.4854 0.1233 0.1233 2.1146 2.1146 2.6799 2.6799 2.7715 2.7715 3.7611 3.7611 3.7897 3.7897 3.9283 3.9283 4.8177 4.8177 5.4775 5.4775 7.1201 7.1201 7.3433 7.3433 8.0895 8.0895 8.7630 8.7630 k =-0.0855 0.0832-0.0000 ( 1777 PWs) bands (ev): -15.7121 -15.7121 -14.1625 -14.1625 -13.4541 -13.4541 -12.1797 -12.1797 -2.1117 -2.1117 -1.9782 -1.9782 -0.4424 -0.4424 0.0934 0.0934 2.0321 2.0321 2.6924 2.6924 2.6989 2.6989 3.7045 3.7045 3.7997 3.7997 3.9139 3.9139 4.8589 4.8589 5.4976 5.4976 7.2050 7.2050 7.3468 7.3468 8.1552 8.1552 8.8167 8.8167 k =-0.0921 0.0896-0.0000 ( 1773 PWs) bands (ev): -15.6909 -15.6909 -14.1501 -14.1501 -13.4449 -13.4449 -12.1933 -12.1933 -2.1216 -2.1216 -2.0394 -2.0394 -0.4012 -0.4012 0.0648 0.0648 1.9471 1.9471 2.6172 2.6172 2.7094 2.7094 3.6189 3.6189 3.8395 3.8395 3.8981 3.8981 4.9022 4.9022 5.5160 5.5160 7.2929 7.2929 7.3513 7.3513 8.2241 8.2241 8.8695 8.8695 k =-0.0987 0.0960-0.0000 ( 1775 PWs) bands (ev): -15.6683 -15.6683 -14.1370 -14.1370 -13.4350 -13.4350 -12.2077 -12.2077 -2.1328 -2.1328 -2.1002 -2.1002 -0.3622 -0.3622 0.0380 0.0380 1.8599 1.8599 2.5370 2.5370 2.7204 2.7204 3.5322 3.5322 3.8759 3.8759 3.8861 3.8861 4.9473 4.9473 5.5329 5.5329 7.3560 7.3560 7.3843 7.3843 8.2955 8.2955 8.9203 8.9203 k =-0.1053 0.1024-0.0000 ( 1779 PWs) bands (ev): -15.6441 -15.6441 -14.1230 -14.1230 -13.4246 -13.4246 -12.2230 -12.2230 -2.1606 -2.1606 -2.1456 -2.1456 -0.3255 -0.3255 0.0134 0.0134 1.7710 1.7710 2.4556 2.4556 2.7289 2.7289 3.4446 3.4446 3.8610 3.8610 3.9256 3.9256 4.9937 4.9937 5.5483 5.5483 7.3630 7.3630 7.4770 7.4770 8.3693 8.3693 8.9680 8.9680 k =-0.1118 0.1088-0.0000 ( 1787 PWs) bands (ev): -15.6185 -15.6185 -14.1083 -14.1083 -13.4137 -13.4137 -12.2390 -12.2390 -2.2205 -2.2205 -2.1598 -2.1598 -0.2915 -0.2915 -0.0087 -0.0087 1.6807 1.6807 2.3736 2.3736 2.7346 2.7346 3.3566 3.3566 3.8410 3.8410 3.9701 3.9701 5.0406 5.0406 5.5623 5.5623 7.3712 7.3712 7.5719 7.5719 8.4451 8.4451 9.0114 9.0114 k =-0.1184 0.1152-0.0000 ( 1787 PWs) bands (ev): -15.5915 -15.5915 -14.0928 -14.0928 -13.4022 -13.4022 -12.2557 -12.2557 -2.2799 -2.2799 -2.1756 -2.1756 -0.2603 -0.2603 -0.0280 -0.0280 1.5892 1.5892 2.2916 2.2916 2.7375 2.7375 3.2681 3.2681 3.8195 3.8195 4.0158 4.0158 5.0875 5.0875 5.5750 5.5750 7.3814 7.3814 7.6683 7.6683 8.5226 8.5226 9.0496 9.0496 k =-0.1250 0.1216-0.0000 ( 1789 PWs) bands (ev): -15.5630 -15.5630 -14.0765 -14.0765 -13.3902 -13.3902 -12.2732 -12.2732 -2.3386 -2.3386 -2.1930 -2.1930 -0.2324 -0.2324 -0.0444 -0.0444 1.4970 1.4970 2.2105 2.2105 2.7375 2.7375 3.1795 3.1795 3.7968 3.7968 4.0622 4.0622 5.1337 5.1337 5.5864 5.5864 7.3938 7.3938 7.7659 7.7659 8.6015 8.6015 9.0813 9.0813 k =-0.1316 0.1280-0.0000 ( 1789 PWs) bands (ev): -15.5331 -15.5331 -14.0596 -14.0596 -13.3778 -13.3778 -12.2913 -12.2913 -2.3967 -2.3967 -2.2119 -2.2119 -0.2081 -0.2081 -0.0576 -0.0576 1.4042 1.4042 2.1308 2.1308 2.7347 2.7347 3.0909 3.0909 3.7729 3.7729 4.1090 4.1090 5.1783 5.1783 5.5967 5.5967 7.4089 7.4089 7.8644 7.8644 8.6815 8.6815 9.1058 9.1058 k =-0.1382 0.1344-0.0000 ( 1791 PWs) bands (ev): -15.5019 -15.5019 -14.0420 -14.0420 -13.3649 -13.3649 -12.3101 -12.3101 -2.4540 -2.4540 -2.2323 -2.2323 -0.1878 -0.1878 -0.0675 -0.0675 1.3111 1.3111 2.0534 2.0534 2.7291 2.7291 3.0024 3.0024 3.7479 3.7479 4.1559 4.1559 5.2206 5.2206 5.6060 5.6060 7.4272 7.4272 7.9634 7.9634 8.7625 8.7625 9.1224 9.1224 k =-0.1447 0.1408-0.0000 ( 1783 PWs) bands (ev): -15.4692 -15.4692 -14.0237 -14.0237 -13.3515 -13.3515 -12.3294 -12.3294 -2.5106 -2.5106 -2.2541 -2.2541 -0.1719 -0.1719 -0.0741 -0.0741 1.2178 1.2178 1.9789 1.9789 2.7207 2.7207 2.9142 2.9142 3.7219 3.7219 4.2025 4.2025 5.2599 5.2599 5.6144 5.6144 7.4491 7.4491 8.0628 8.0628 8.8442 8.8442 9.1309 9.1309 k =-0.1513 0.1472-0.0000 ( 1783 PWs) bands (ev): -15.4353 -15.4353 -14.0048 -14.0048 -13.3378 -13.3378 -12.3492 -12.3492 -2.5665 -2.5665 -2.2773 -2.2773 -0.1609 -0.1609 -0.0773 -0.0773 1.1247 1.1247 1.9082 1.9082 2.7096 2.7096 2.8264 2.8264 3.6949 3.6949 4.2484 4.2484 5.2953 5.2953 5.6218 5.6218 7.4749 7.4749 8.1623 8.1623 8.9264 8.9264 9.1315 9.1315 k =-0.1579 0.1536-0.0000 ( 1783 PWs) bands (ev): -15.4000 -15.4000 -13.9853 -13.9853 -13.3237 -13.3237 -12.3696 -12.3696 -2.6216 -2.6216 -2.3016 -2.3016 -0.1553 -0.1553 -0.0773 -0.0773 1.0317 1.0317 1.8420 1.8420 2.6956 2.6956 2.7396 2.7396 3.6671 3.6671 4.2933 4.2933 5.3262 5.3262 5.6285 5.6285 7.5052 7.5052 8.2616 8.2616 9.0089 9.0089 9.1245 9.1245 k =-0.1645 0.1600-0.0000 ( 1775 PWs) bands (ev): -15.3635 -15.3635 -13.9652 -13.9652 -13.3092 -13.3092 -12.3904 -12.3904 -2.6759 -2.6759 -2.3270 -2.3270 -0.1555 -0.1555 -0.0740 -0.0740 0.9392 0.9392 1.7810 1.7810 2.6507 2.6507 2.6816 2.6816 3.6385 3.6385 4.3369 4.3369 5.3521 5.3521 5.6344 5.6344 7.5402 7.5402 8.3606 8.3606 9.0914 9.0914 9.1108 9.1108 k =-0.1711 0.1664-0.0000 ( 1785 PWs) bands (ev): -15.3257 -15.3257 -13.9446 -13.9446 -13.2944 -13.2944 -12.4116 -12.4116 -2.7294 -2.7294 -2.3532 -2.3532 -0.1620 -0.1620 -0.0675 -0.0675 0.8471 0.8471 1.7260 1.7260 2.5654 2.5654 2.6624 2.6624 3.6092 3.6092 4.3787 4.3787 5.3723 5.3723 5.6396 5.6396 7.5802 7.5802 8.4591 8.4591 9.0909 9.0909 9.1741 9.1741 k =-0.1776 0.1728-0.0000 ( 1785 PWs) bands (ev): -15.2867 -15.2867 -13.9235 -13.9235 -13.2793 -13.2793 -12.4332 -12.4332 -2.7821 -2.7821 -2.3801 -2.3801 -0.1750 -0.1750 -0.0581 -0.0581 0.7558 0.7558 1.6775 1.6775 2.4802 2.4802 2.6417 2.6417 3.5792 3.5792 4.4183 4.4183 5.3866 5.3866 5.6441 5.6441 7.6253 7.6253 8.5568 8.5568 9.0663 9.0663 9.2564 9.2564 k =-0.1842 0.1792-0.0000 ( 1781 PWs) bands (ev): -15.2465 -15.2465 -13.9019 -13.9019 -13.2640 -13.2640 -12.4552 -12.4552 -2.8341 -2.8341 -2.4076 -2.4076 -0.1947 -0.1947 -0.0458 -0.0458 0.6652 0.6652 1.6359 1.6359 2.3958 2.3958 2.6189 2.6189 3.5487 3.5487 4.4554 4.4554 5.3949 5.3949 5.6482 5.6482 7.6755 7.6755 8.6537 8.6537 9.0377 9.0377 9.3384 9.3384 k =-0.1908 0.1856-0.0000 ( 1783 PWs) bands (ev): -15.2052 -15.2052 -13.8799 -13.8799 -13.2485 -13.2485 -12.4774 -12.4774 -2.8854 -2.8854 -2.4353 -2.4353 -0.2213 -0.2213 -0.0309 -0.0309 0.5755 0.5755 1.6015 1.6015 2.3122 2.3122 2.5942 2.5942 3.5176 3.5176 4.4896 4.4896 5.3969 5.3969 5.6516 5.6516 7.7307 7.7307 8.7495 8.7495 9.0060 9.0060 9.4200 9.4200 k =-0.1974 0.1920-0.0000 ( 1783 PWs) bands (ev): -15.1628 -15.1628 -13.8576 -13.8576 -13.2328 -13.2328 -12.4998 -12.4998 -2.9359 -2.9359 -2.4632 -2.4632 -0.2543 -0.2543 -0.0135 -0.0135 0.4867 0.4867 1.5743 1.5743 2.2296 2.2296 2.5676 2.5676 3.4861 3.4861 4.5205 4.5205 5.3930 5.3930 5.6546 5.6546 7.7907 7.7907 8.8442 8.8442 8.9722 8.9722 9.5009 9.5009 k =-0.2039 0.1984-0.0000 ( 1787 PWs) bands (ev): -15.1193 -15.1193 -13.8349 -13.8349 -13.2169 -13.2169 -12.5224 -12.5224 -2.9859 -2.9859 -2.4911 -2.4911 -0.2936 -0.2936 0.0061 0.0061 0.3990 0.3990 1.5542 1.5542 2.1481 2.1481 2.5393 2.5393 3.4542 3.4542 4.5477 4.5477 5.3832 5.3832 5.6571 5.6571 7.8551 7.8551 8.9327 8.9327 8.9419 8.9419 9.5812 9.5812 k =-0.2105 0.2048-0.0000 ( 1791 PWs) bands (ev): -15.0747 -15.0747 -13.8119 -13.8119 -13.2009 -13.2009 -12.5452 -12.5452 -3.0352 -3.0352 -2.5186 -2.5186 -0.3384 -0.3384 0.0277 0.0277 0.3125 0.3125 1.5409 1.5409 2.0678 2.0678 2.5094 2.5094 3.4220 3.4220 4.5709 4.5709 5.3679 5.3679 5.6592 5.6592 7.9236 7.9236 8.9007 8.9007 9.0300 9.0300 9.6607 9.6607 k =-0.2171 0.2112-0.0000 ( 1791 PWs) bands (ev): -15.0292 -15.0292 -13.7886 -13.7886 -13.1848 -13.1848 -12.5680 -12.5680 -3.0841 -3.0841 -2.5458 -2.5458 -0.3882 -0.3882 0.0511 0.0511 0.2272 0.2272 1.5338 1.5338 1.9886 1.9886 2.4781 2.4781 3.3896 3.3896 4.5897 4.5897 5.3474 5.3474 5.6610 5.6610 7.9957 7.9957 8.8647 8.8647 9.1205 9.1205 9.7393 9.7393 k =-0.2237 0.2176-0.0000 ( 1787 PWs) bands (ev): -14.9828 -14.9828 -13.7651 -13.7651 -13.1686 -13.1686 -12.5909 -12.5909 -3.1325 -3.1325 -2.5724 -2.5724 -0.4422 -0.4422 0.0757 0.0757 0.1434 0.1434 1.5324 1.5324 1.9106 1.9106 2.4455 2.4455 3.3570 3.3570 4.6038 4.6038 5.3223 5.3223 5.6624 5.6624 8.0709 8.0709 8.8292 8.8292 9.2095 9.2095 9.8170 9.8170 k =-0.2303 0.2240-0.0000 ( 1787 PWs) bands (ev): -14.9355 -14.9355 -13.7414 -13.7414 -13.1524 -13.1524 -12.6138 -12.6138 -3.1806 -3.1806 -2.5982 -2.5982 -0.4995 -0.4995 0.0598 0.0598 0.1027 0.1027 1.5362 1.5362 1.8339 1.8339 2.4118 2.4118 3.3243 3.3243 4.6130 4.6130 5.2929 5.2929 5.6634 5.6634 8.1487 8.1487 8.7945 8.7945 9.2968 9.2968 9.8936 9.8936 k =-0.2368 0.2304-0.0000 ( 1791 PWs) bands (ev): -14.8873 -14.8873 -13.7176 -13.7176 -13.1362 -13.1362 -12.6367 -12.6367 -3.2284 -3.2284 -2.6230 -2.6230 -0.5593 -0.5593 -0.0210 -0.0210 0.1291 0.1291 1.5445 1.5445 1.7586 1.7586 2.3772 2.3772 3.2915 3.2915 4.6171 4.6171 5.2597 5.2597 5.6642 5.6642 8.2285 8.2285 8.7612 8.7612 9.3823 9.3823 9.9691 9.9691 k =-0.2434 0.2368-0.0000 ( 1791 PWs) bands (ev): -14.8384 -14.8384 -13.6938 -13.6938 -13.1201 -13.1201 -12.6595 -12.6595 -3.2760 -3.2760 -2.6469 -2.6469 -0.6208 -0.6208 -0.1007 -0.1007 0.1565 0.1565 1.5567 1.5567 1.6846 1.6846 2.3420 2.3420 3.2588 3.2588 4.6158 4.6158 5.2233 5.2233 5.6647 5.6647 8.3099 8.3099 8.7294 8.7294 9.4660 9.4660 10.0433 10.0433 k =-0.2500 0.2432-0.0000 ( 1795 PWs) bands (ev): -14.7887 -14.7887 -13.6699 -13.6699 -13.1041 -13.1041 -12.6821 -12.6821 -3.3237 -3.3237 -2.6695 -2.6695 -0.6833 -0.6833 -0.1789 -0.1789 0.1841 0.1841 1.5723 1.5723 1.6121 1.6121 2.3064 2.3064 3.2261 3.2261 4.6091 4.6091 5.1841 5.1841 5.6650 5.6650 8.3924 8.3924 8.6996 8.6996 9.5479 9.5479 10.1164 10.1164 k =-0.2566 0.2496-0.0000 ( 1793 PWs) bands (ev): -14.7384 -14.7384 -13.6460 -13.6460 -13.0881 -13.0881 -12.7046 -12.7046 -3.3713 -3.3713 -2.6909 -2.6909 -0.7461 -0.7461 -0.2556 -0.2556 0.2115 0.2115 1.5410 1.5410 1.5908 1.5908 2.2707 2.2707 3.1936 3.1936 4.5970 4.5970 5.1425 5.1425 5.6650 5.6650 8.4755 8.4755 8.6719 8.6719 9.6277 9.6277 10.1881 10.1881 k =-0.2632 0.2560-0.0000 ( 1801 PWs) bands (ev): -14.6875 -14.6875 -13.6222 -13.6222 -13.0723 -13.0723 -12.7268 -12.7268 -3.4192 -3.4192 -2.7108 -2.7108 -0.8084 -0.8084 -0.3306 -0.3306 0.2384 0.2384 1.4714 1.4714 1.6115 1.6115 2.2351 2.2351 3.1612 3.1612 4.5793 4.5793 5.0989 5.0989 5.6649 5.6649 8.5587 8.5587 8.6462 8.6462 9.7056 9.7056 10.2584 10.2584 k =-0.2697 0.2624-0.0000 ( 1798 PWs) bands (ev): -14.6360 -14.6360 -13.5985 -13.5985 -13.0567 -13.0567 -12.7488 -12.7488 -3.4673 -3.4673 -2.7292 -2.7292 -0.8697 -0.8697 -0.4040 -0.4040 0.2642 0.2642 1.4034 1.4034 1.6342 1.6342 2.2002 2.2002 3.1291 3.1291 4.5563 4.5563 5.0538 5.0538 5.6646 5.6646 8.6229 8.6229 8.6416 8.6416 9.7814 9.7814 10.3273 10.3273 k =-0.2763 0.2688-0.0000 ( 1798 PWs) bands (ev): -14.5841 -14.5841 -13.5751 -13.5751 -13.0413 -13.0413 -12.7704 -12.7704 -3.5158 -3.5158 -2.7460 -2.7460 -0.9295 -0.9295 -0.4756 -0.4756 0.2885 0.2885 1.3370 1.3370 1.6585 1.6585 2.1662 2.1662 3.0973 3.0973 4.5280 4.5280 5.0076 5.0076 5.6641 5.6641 8.6018 8.6018 8.7237 8.7237 9.8551 9.8551 10.3947 10.3947 k =-0.2829 0.2752-0.0000 ( 1808 PWs) bands (ev): -14.5319 -14.5319 -13.5519 -13.5519 -13.0261 -13.0261 -12.7917 -12.7917 -3.5648 -3.5648 -2.7611 -2.7611 -0.9874 -0.9874 -0.5455 -0.5455 0.3107 0.3107 1.2722 1.2722 1.6839 1.6839 2.1337 2.1337 3.0659 3.0659 4.4947 4.4947 4.9605 4.9605 5.6634 5.6634 8.5829 8.5829 8.8047 8.8047 9.9267 9.9267 10.4606 10.4606 k =-0.2895 0.2816-0.0000 ( 1800 PWs) bands (ev): -14.4792 -14.4792 -13.5289 -13.5289 -13.0112 -13.0112 -12.8125 -12.8125 -3.6143 -3.6143 -2.7744 -2.7744 -1.0428 -1.0428 -0.6137 -0.6137 0.3304 0.3304 1.2090 1.2090 1.7103 1.7103 2.1030 2.1030 3.0348 3.0348 4.4566 4.4566 4.9130 4.9130 5.6626 5.6626 8.5661 8.5661 8.8842 8.8842 9.9961 9.9961 10.5249 10.5249 k =-0.2961 0.2880-0.0000 ( 1796 PWs) bands (ev): -14.4264 -14.4264 -13.5064 -13.5064 -12.9966 -12.9966 -12.8328 -12.8328 -3.6645 -3.6645 -2.7860 -2.7860 -1.0954 -1.0954 -0.6800 -0.6800 0.3470 0.3470 1.1475 1.1475 1.7372 1.7372 2.0748 2.0748 3.0042 3.0042 4.4140 4.4140 4.8652 4.8652 5.6617 5.6617 8.5513 8.5513 8.9618 8.9618 10.0633 10.0633 10.5876 10.5876 k =-0.3026 0.2944-0.0000 ( 1794 PWs) bands (ev): -14.3734 -14.3734 -13.4843 -13.4843 -12.9824 -12.9824 -12.8526 -12.8526 -3.7153 -3.7153 -2.7956 -2.7956 -1.1449 -1.1449 -0.7445 -0.7445 0.3599 0.3599 1.0878 1.0878 1.7644 1.7644 2.0495 2.0495 2.9741 2.9741 4.3674 4.3674 4.8176 4.8176 5.6607 5.6607 8.5382 8.5382 9.0370 9.0370 10.1284 10.1284 10.6487 10.6487 k =-0.3092 0.3008-0.0000 ( 1790 PWs) bands (ev): -14.3204 -14.3204 -13.4627 -13.4627 -12.9685 -12.9685 -12.8718 -12.8718 -3.7668 -3.7668 -2.8034 -2.8034 -1.1911 -1.1911 -0.8071 -0.8071 0.3686 0.3686 1.0297 1.0297 1.7917 1.7917 2.0276 2.0276 2.9446 2.9446 4.3171 4.3171 4.7702 4.7702 5.6596 5.6596 8.5268 8.5268 9.1096 9.1096 10.1912 10.1912 10.7080 10.7080 k =-0.3158 0.3072-0.0000 ( 1790 PWs) bands (ev): -14.2673 -14.2673 -13.4417 -13.4417 -12.9550 -12.9550 -12.8902 -12.8902 -3.8189 -3.8189 -2.8092 -2.8092 -1.2338 -1.2338 -0.8678 -0.8678 0.3726 0.3726 0.9734 0.9734 1.8188 1.8188 2.0096 2.0096 2.9156 2.9156 4.2635 4.2635 4.7234 4.7234 5.6584 5.6584 8.5169 8.5169 9.1792 9.1792 10.2518 10.2518 10.7657 10.7657 k =-0.3224 0.3136-0.0000 ( 1794 PWs) bands (ev): -14.2145 -14.2145 -13.4215 -13.4215 -12.9419 -12.9419 -12.9080 -12.9080 -3.8717 -3.8717 -2.8130 -2.8130 -1.2728 -1.2728 -0.9265 -0.9265 0.3716 0.3716 0.9189 0.9189 1.8455 1.8455 1.9958 1.9958 2.8873 2.8873 4.2072 4.2072 4.6773 4.6773 5.6571 5.6571 8.5082 8.5082 9.2453 9.2453 10.3101 10.3101 10.8215 10.8215 k =-0.3289 0.3200-0.0000 ( 1802 PWs) bands (ev): -14.1618 -14.1618 -13.4020 -13.4020 -12.9293 -12.9293 -12.9249 -12.9249 -3.9251 -3.9251 -2.8149 -2.8149 -1.3080 -1.3080 -0.9833 -0.9833 0.3652 0.3652 0.8662 0.8662 1.8715 1.8715 1.9866 1.9866 2.8596 2.8596 4.1486 4.1486 4.6322 4.6322 5.6558 5.6558 8.5005 8.5005 9.3078 9.3078 10.3662 10.3662 10.8756 10.8756 k =-0.3355 0.3264-0.0000 ( 1798 PWs) bands (ev): -14.1094 -14.1094 -13.3834 -13.3834 -12.9408 -12.9408 -12.9171 -12.9171 -3.9789 -3.9789 -2.8149 -2.8149 -1.3394 -1.3394 -1.0382 -1.0382 0.3532 0.3532 0.8153 0.8153 1.8967 1.8967 1.9822 1.9822 2.8327 2.8327 4.0882 4.0882 4.5880 4.5880 5.6544 5.6544 8.4938 8.4938 9.3663 9.3663 10.4200 10.4200 10.9279 10.9279 k =-0.3421 0.3328-0.0000 ( 1798 PWs) bands (ev): -14.0575 -14.0575 -13.3658 -13.3658 -12.9557 -12.9557 -12.9054 -12.9054 -4.0330 -4.0330 -2.8129 -2.8129 -1.3670 -1.3670 -1.0910 -1.0910 0.3357 0.3357 0.7662 0.7662 1.9207 1.9207 1.9825 1.9825 2.8065 2.8065 4.0265 4.0265 4.5451 4.5451 5.6530 5.6530 8.4879 8.4879 9.4204 9.4204 10.4716 10.4716 10.9783 10.9783 k =-0.3487 0.3392-0.0000 ( 1794 PWs) bands (ev): -14.0061 -14.0061 -13.3493 -13.3493 -12.9695 -12.9695 -12.8943 -12.8943 -4.0874 -4.0874 -2.8089 -2.8089 -1.3908 -1.3908 -1.1418 -1.1418 0.3128 0.3128 0.7190 0.7190 1.9435 1.9435 1.9875 1.9875 2.7811 2.7811 3.9641 3.9641 4.5035 4.5035 5.6516 5.6516 8.4825 8.4825 9.4701 9.4701 10.5210 10.5210 11.0269 11.0269 k =-0.3553 0.3456-0.0000 ( 1794 PWs) bands (ev): -13.9554 -13.9554 -13.3342 -13.3342 -12.9820 -12.9820 -12.8837 -12.8837 -4.1418 -4.1418 -2.8031 -2.8031 -1.4109 -1.4109 -1.1906 -1.1906 0.2849 0.2849 0.6737 0.6737 1.9646 1.9646 1.9968 1.9968 2.7565 2.7565 3.9015 3.9015 4.4633 4.4633 5.6501 5.6501 8.4776 8.4776 9.5150 9.5150 10.5681 10.5681 11.0736 11.0736 k =-0.3618 0.3520-0.0000 ( 1790 PWs) bands (ev): -13.9054 -13.9054 -13.3204 -13.3204 -12.9930 -12.9930 -12.8737 -12.8737 -4.1961 -4.1961 -2.7955 -2.7955 -1.4274 -1.4274 -1.2373 -1.2373 0.2523 0.2523 0.6303 0.6303 1.9841 1.9841 2.0102 2.0102 2.7328 2.7328 3.8391 3.8391 4.4247 4.4247 5.6487 5.6487 8.4731 8.4731 9.5548 9.5548 10.6130 10.6130 11.1183 11.1183 k =-0.3684 0.3584-0.0000 ( 1794 PWs) bands (ev): -13.8564 -13.8564 -13.3082 -13.3082 -13.0026 -13.0026 -12.8643 -12.8643 -4.2500 -4.2500 -2.7861 -2.7861 -1.4406 -1.4406 -1.2820 -1.2820 0.2154 0.2154 0.5888 0.5888 2.0016 2.0016 2.0269 2.0269 2.7100 2.7100 3.7777 3.7777 4.3875 4.3875 5.6473 5.6473 8.4689 8.4689 9.5897 9.5897 10.6557 10.6557 11.1610 11.1610 k =-0.3750 0.3648-0.0000 ( 1792 PWs) bands (ev): -13.8083 -13.8083 -13.2978 -13.2978 -13.0104 -13.0104 -12.8554 -12.8554 -4.3033 -4.3033 -2.7751 -2.7751 -1.4505 -1.4505 -1.3246 -1.3246 0.1750 0.1750 0.5493 0.5493 2.0172 2.0172 2.0466 2.0466 2.6881 2.6881 3.7176 3.7176 4.3520 4.3520 5.6458 5.6458 8.4649 8.4649 9.6195 9.6195 10.6961 10.6961 11.2016 11.2016 k =-0.3816 0.3712-0.0000 ( 1792 PWs) bands (ev): -13.7614 -13.7614 -13.2891 -13.2891 -13.0165 -13.0165 -12.8472 -12.8472 -4.3557 -4.3557 -2.7624 -2.7624 -1.4574 -1.4574 -1.3650 -1.3650 0.1315 0.1315 0.5117 0.5117 2.0305 2.0305 2.0688 2.0688 2.6672 2.6672 3.6594 3.6594 4.3182 4.3182 5.6444 5.6444 8.4611 8.4611 9.6443 9.6443 10.7344 10.7344 11.2398 11.2398 k =-0.3882 0.3776-0.0000 ( 1784 PWs) bands (ev): -13.7158 -13.7158 -13.2823 -13.2823 -13.0208 -13.0208 -12.8396 -12.8396 -4.4071 -4.4071 -2.7483 -2.7483 -1.4615 -1.4615 -1.4034 -1.4034 0.0857 0.0857 0.4760 0.4760 2.0413 2.0413 2.0929 2.0929 2.6472 2.6472 3.6036 3.6036 4.2862 4.2862 5.6430 5.6430 8.4574 8.4574 9.6643 9.6643 10.7705 10.7705 11.2741 11.2741 k =-0.3947 0.3840-0.0000 ( 1788 PWs) bands (ev): -13.6715 -13.6715 -13.2774 -13.2774 -13.0233 -13.0233 -12.8327 -12.8327 -4.4572 -4.4572 -2.7330 -2.7330 -1.4632 -1.4632 -1.4396 -1.4396 0.0380 0.0380 0.4423 0.4423 2.0494 2.0494 2.1186 2.1186 2.6283 2.6283 3.5506 3.5506 4.2558 4.2558 5.6416 5.6416 8.4539 8.4539 9.6796 9.6796 10.8044 10.8044 11.2941 11.2941 k =-0.4013 0.3904-0.0000 ( 1792 PWs) bands (ev): -13.6288 -13.6288 -13.2742 -13.2742 -13.0242 -13.0242 -12.8264 -12.8264 -4.5058 -4.5058 -2.7164 -2.7164 -1.4739 -1.4739 -1.4622 -1.4622 -0.0109 -0.0109 0.4106 0.4106 2.0549 2.0549 2.1452 2.1452 2.6103 2.6103 3.5008 3.5008 4.2273 4.2273 5.6403 5.6403 8.4504 8.4504 9.6907 9.6907 10.8362 10.8362 11.3028 11.3028 k =-0.4079 0.3968-0.0000 ( 1796 PWs) bands (ev): -13.5878 -13.5878 -13.2726 -13.2726 -13.0236 -13.0236 -12.8208 -12.8208 -4.5525 -4.5525 -2.6989 -2.6989 -1.5057 -1.5057 -1.4598 -1.4598 -0.0604 -0.0604 0.3809 0.3809 2.0576 2.0576 2.1723 2.1723 2.5935 2.5935 3.4545 3.4545 4.2006 4.2006 5.6391 5.6391 8.4470 8.4470 9.6978 9.6978 10.8658 10.8658 11.3109 11.3109 k =-0.4145 0.4032-0.0000 ( 1800 PWs) bands (ev): -13.5487 -13.5487 -13.2723 -13.2723 -13.0217 -13.0217 -12.8158 -12.8158 -4.5972 -4.5972 -2.6807 -2.6807 -1.5355 -1.5355 -1.4555 -1.4555 -0.1099 -0.1099 0.3532 0.3532 2.0577 2.0577 2.1994 2.1994 2.5777 2.5777 3.4120 3.4120 4.1757 4.1757 5.6378 5.6378 8.4438 8.4438 9.7016 9.7016 10.8933 10.8933 11.3195 11.3195 k =-0.4211 0.4096-0.0000 ( 1796 PWs) bands (ev): -13.5115 -13.5115 -13.2731 -13.2731 -13.0189 -13.0189 -12.8115 -12.8115 -4.6397 -4.6397 -2.6619 -2.6619 -1.5631 -1.5631 -1.4498 -1.4498 -0.1588 -0.1588 0.3275 0.3275 2.0553 2.0553 2.2262 2.2262 2.5630 2.5630 3.3735 3.3735 4.1526 4.1526 5.6367 5.6367 8.4407 8.4407 9.7024 9.7024 10.9187 10.9187 11.3288 11.3288 k =-0.4276 0.4160-0.0000 ( 1796 PWs) bands (ev): -13.4764 -13.4764 -13.2748 -13.2748 -13.0153 -13.0153 -12.8078 -12.8078 -4.6796 -4.6796 -2.6428 -2.6428 -1.5885 -1.5885 -1.4431 -1.4431 -0.2066 -0.2066 0.3039 0.3039 2.0506 2.0506 2.2523 2.2523 2.5494 2.5494 3.3391 3.3391 4.1314 4.1314 5.6356 5.6356 8.4377 8.4377 9.7008 9.7008 10.9420 10.9420 11.3386 11.3386 k =-0.4342 0.4224-0.0000 ( 1792 PWs) bands (ev): -13.4436 -13.4436 -13.2770 -13.2770 -13.0114 -13.0114 -12.8047 -12.8047 -4.7169 -4.7169 -2.6237 -2.6237 -1.6118 -1.6118 -1.4356 -1.4356 -0.2527 -0.2527 0.2822 0.2822 2.0440 2.0440 2.2773 2.2773 2.5369 2.5369 3.3086 3.3086 4.1120 4.1120 5.6346 5.6346 8.4349 8.4349 9.6972 9.6972 10.9632 10.9632 11.3485 11.3485 k =-0.4408 0.4288-0.0000 ( 1792 PWs) bands (ev): -13.4133 -13.4133 -13.2796 -13.2796 -13.0072 -13.0072 -12.8021 -12.8021 -4.7512 -4.7512 -2.6050 -2.6050 -1.6328 -1.6328 -1.4277 -1.4277 -0.2966 -0.2966 0.2627 0.2627 2.0359 2.0359 2.3008 2.3008 2.5256 2.5256 3.2822 3.2822 4.0945 4.0945 5.6337 5.6337 8.4322 8.4322 9.6923 9.6923 10.9824 10.9824 11.3584 11.3584 k =-0.4474 0.4352-0.0000 ( 1796 PWs) bands (ev): -13.3855 -13.3855 -13.2823 -13.2823 -13.0030 -13.0030 -12.8001 -12.8001 -4.7825 -4.7825 -2.5869 -2.5869 -1.6517 -1.6517 -1.4197 -1.4197 -0.3377 -0.3377 0.2451 0.2451 2.0267 2.0267 2.3227 2.3227 2.5154 2.5154 3.2594 3.2594 4.0788 4.0788 5.6329 5.6329 8.4298 8.4298 9.6863 9.6863 10.9995 10.9995 11.3679 11.3679 k =-0.4539 0.4416-0.0000 ( 1796 PWs) bands (ev): -13.3605 -13.3605 -13.2850 -13.2850 -12.9990 -12.9990 -12.7986 -12.7986 -4.8105 -4.8105 -2.5697 -2.5697 -1.6683 -1.6683 -1.4117 -1.4117 -0.3756 -0.3756 0.2296 0.2296 2.0169 2.0169 2.3426 2.3426 2.5064 2.5064 3.2403 3.2403 4.0650 4.0650 5.6321 5.6321 8.4276 8.4276 9.6800 9.6800 11.0145 11.0145 11.3770 11.3770 k =-0.4605 0.4480-0.0000 ( 1792 PWs) bands (ev): -13.3384 -13.3384 -13.2875 -13.2875 -12.9953 -12.9953 -12.7975 -12.7975 -4.8351 -4.8351 -2.5540 -2.5540 -1.6828 -1.6828 -1.4042 -1.4042 -0.4096 -0.4096 0.2162 0.2162 2.0071 2.0071 2.3604 2.3604 2.4985 2.4985 3.2244 3.2244 4.0530 4.0530 5.6315 5.6315 8.4257 8.4257 9.6736 9.6736 11.0276 11.0276 11.3852 11.3852 k =-0.4671 0.4544-0.0000 ( 1792 PWs) bands (ev): -13.3194 -13.3194 -13.2899 -13.2899 -12.9920 -12.9920 -12.7967 -12.7967 -4.8562 -4.8562 -2.5399 -2.5399 -1.6950 -1.6950 -1.3974 -1.3974 -0.4394 -0.4394 0.2048 0.2048 1.9978 1.9978 2.3757 2.3757 2.4919 2.4919 3.2115 3.2115 4.0428 4.0428 5.6309 5.6309 8.4240 8.4240 9.6676 9.6676 11.0386 11.0386 11.3925 11.3925 k =-0.4737 0.4608-0.0000 ( 1790 PWs) bands (ev): -13.3036 -13.3036 -13.2919 -13.2919 -12.9892 -12.9892 -12.7962 -12.7962 -4.8736 -4.8736 -2.5278 -2.5278 -1.7050 -1.7050 -1.3915 -1.3915 -0.4644 -0.4644 0.1955 0.1955 1.9895 1.9895 2.3885 2.3885 2.4864 2.4864 3.2013 3.2013 4.0345 4.0345 5.6304 5.6304 8.4225 8.4225 9.6622 9.6622 11.0476 11.0476 11.3987 11.3987 k =-0.4803 0.4672-0.0000 ( 1788 PWs) bands (ev): -13.2935 -13.2935 -13.2912 -13.2912 -12.9870 -12.9870 -12.7959 -12.7959 -4.8872 -4.8872 -2.5180 -2.5180 -1.7128 -1.7128 -1.3867 -1.3867 -0.4844 -0.4844 0.1882 0.1882 1.9826 1.9826 2.3986 2.3986 2.4822 2.4822 3.1937 3.1937 4.0281 4.0281 5.6301 5.6301 8.4214 8.4214 9.6578 9.6578 11.0546 11.0546 11.4037 11.4037 k =-0.4868 0.4736-0.0000 ( 1788 PWs) bands (ev): -13.2947 -13.2947 -13.2822 -13.2822 -12.9853 -12.9853 -12.7957 -12.7957 -4.8970 -4.8970 -2.5109 -2.5109 -1.7183 -1.7183 -1.3832 -1.3832 -0.4988 -0.4988 0.1830 0.1830 1.9773 1.9773 2.4059 2.4059 2.4792 2.4792 3.1884 3.1884 4.0235 4.0235 5.6298 5.6298 8.4206 8.4206 9.6545 9.6545 11.0595 11.0595 11.4073 11.4073 k =-0.4934 0.4800-0.0000 ( 1784 PWs) bands (ev): -13.2954 -13.2954 -13.2768 -13.2768 -12.9843 -12.9843 -12.7956 -12.7956 -4.9029 -4.9029 -2.5065 -2.5065 -1.7217 -1.7217 -1.3810 -1.3810 -0.5076 -0.5076 0.1799 0.1799 1.9741 1.9741 2.4103 2.4103 2.4774 2.4774 3.1853 3.1853 4.0207 4.0207 5.6297 5.6297 8.4201 8.4201 9.6526 9.6526 11.0625 11.0625 11.4095 11.4095 k =-0.5000 0.4864-0.0000 ( 1784 PWs) bands (ev): -13.2956 -13.2956 -13.2749 -13.2749 -12.9840 -12.9840 -12.7956 -12.7956 -4.9048 -4.9048 -2.5050 -2.5050 -1.7228 -1.7228 -1.3803 -1.3803 -0.5106 -0.5106 0.1789 0.1789 1.9730 1.9730 2.4118 2.4118 2.4767 2.4767 3.1842 3.1842 4.0198 4.0198 5.6296 5.6296 8.4200 8.4200 9.6519 9.6519 11.0635 11.0635 11.4102 11.4102 k =-0.5000 0.4864-0.0000 ( 1784 PWs) bands (ev): -13.2956 -13.2956 -13.2749 -13.2749 -12.9840 -12.9840 -12.7956 -12.7956 -4.9048 -4.9048 -2.5050 -2.5050 -1.7228 -1.7228 -1.3803 -1.3803 -0.5106 -0.5106 0.1789 0.1789 1.9730 1.9730 2.4118 2.4118 2.4767 2.4767 3.1842 3.1842 4.0198 4.0198 5.6296 5.6296 8.4200 8.4200 9.6519 9.6519 11.0635 11.0635 11.4102 11.4102 k =-0.4955 0.4910-0.0000 ( 1784 PWs) bands (ev): -13.2963 -13.2963 -13.2747 -13.2747 -12.9841 -12.9841 -12.7959 -12.7959 -4.9045 -4.9045 -2.5047 -2.5047 -1.7215 -1.7215 -1.3800 -1.3800 -0.5118 -0.5118 0.1781 0.1781 1.9750 1.9750 2.4059 2.4059 2.4846 2.4846 3.1844 3.1844 4.0193 4.0193 5.6283 5.6283 8.4209 8.4209 9.6518 9.6518 11.0635 11.0635 11.4101 11.4101 k =-0.4910 0.4956-0.0000 ( 1784 PWs) bands (ev): -13.2984 -13.2984 -13.2741 -13.2741 -12.9843 -12.9843 -12.7969 -12.7969 -4.9033 -4.9033 -2.5039 -2.5039 -1.7176 -1.7176 -1.3791 -1.3791 -0.5154 -0.5154 0.1757 0.1757 1.9808 1.9808 2.3930 2.3930 2.5033 2.5033 3.1850 3.1850 4.0177 4.0177 5.6244 5.6244 8.4235 8.4235 9.6518 9.6518 11.0634 11.0634 11.4095 11.4095 k =-0.4865 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.3019 -13.3019 -13.2730 -13.2730 -12.9847 -12.9847 -12.7984 -12.7984 -4.9015 -4.9015 -2.5025 -2.5025 -1.7111 -1.7111 -1.3777 -1.3777 -0.5215 -0.5215 0.1718 0.1718 1.9905 1.9905 2.3786 2.3786 2.5275 2.5275 3.1859 3.1859 4.0152 4.0152 5.6179 5.6179 8.4280 8.4280 9.6516 9.6516 11.0633 11.0633 11.4086 11.4086 k =-0.4865 0.5002-0.0000 ( 1788 PWs) bands (ev): -13.3019 -13.3019 -13.2730 -13.2730 -12.9847 -12.9847 -12.7984 -12.7984 -4.9015 -4.9015 -2.5025 -2.5025 -1.7111 -1.7111 -1.3777 -1.3777 -0.5215 -0.5215 0.1718 0.1718 1.9905 1.9905 2.3786 2.3786 2.5275 2.5275 3.1859 3.1859 4.0152 4.0152 5.6179 5.6179 8.4280 8.4280 9.6516 9.6516 11.0633 11.0633 11.4086 11.4086 k =-0.4865 0.5002 0.0092 ( 1788 PWs) bands (ev): -13.3018 -13.3018 -13.2724 -13.2724 -12.9850 -12.9850 -12.7988 -12.7988 -4.9003 -4.9003 -2.5095 -2.5095 -1.7101 -1.7101 -1.3703 -1.3703 -0.5199 -0.5199 0.1685 0.1685 1.9917 1.9917 2.3784 2.3784 2.5307 2.5307 3.1818 3.1818 4.0131 4.0131 5.6158 5.6158 8.4321 8.4321 9.6538 9.6538 11.0639 11.0639 11.3977 11.3977 k =-0.4865 0.5002 0.0183 ( 1788 PWs) bands (ev): -13.3016 -13.3016 -13.2708 -13.2708 -12.9860 -12.9860 -12.8000 -12.8000 -4.8968 -4.8968 -2.5298 -2.5298 -1.7072 -1.7072 -1.3489 -1.3489 -0.5153 -0.5153 0.1585 0.1585 1.9951 1.9951 2.3774 2.3774 2.5405 2.5405 3.1694 3.1694 4.0068 4.0068 5.6094 5.6094 8.4446 8.4446 9.6604 9.6604 11.0657 11.0657 11.3766 11.3766 k =-0.4865 0.5002 0.0275 ( 1786 PWs) bands (ev): -13.3011 -13.3011 -13.2681 -13.2681 -12.9876 -12.9876 -12.8020 -12.8020 -4.8910 -4.8910 -2.5621 -2.5621 -1.7025 -1.7025 -1.3148 -1.3148 -0.5076 -0.5076 0.1421 0.1421 2.0010 2.0010 2.3744 2.3744 2.5580 2.5580 3.1490 3.1490 3.9964 3.9964 5.5987 5.5987 8.4652 8.4652 9.6713 9.6713 11.0686 11.0686 11.3517 11.3517 k =-0.4865 0.5002 0.0367 ( 1790 PWs) bands (ev): -13.3004 -13.3004 -13.2645 -13.2645 -12.9898 -12.9898 -12.8048 -12.8048 -4.8828 -4.8828 -2.6044 -2.6044 -1.6957 -1.6957 -1.2701 -1.2701 -0.4970 -0.4970 0.1197 0.1197 2.0093 2.0093 2.3683 2.3683 2.5837 2.5837 3.1210 3.1210 3.9818 3.9818 5.5839 5.5839 8.4938 8.4938 9.6864 9.6864 11.0727 11.0727 11.3239 11.3239 k =-0.4865 0.5002 0.0459 ( 1792 PWs) bands (ev): -13.2993 -13.2993 -13.2601 -13.2601 -12.9927 -12.9927 -12.8083 -12.8083 -4.8723 -4.8723 -2.6546 -2.6546 -1.6870 -1.6870 -1.2168 -1.2168 -0.4834 -0.4834 0.0918 0.0918 2.0202 2.0202 2.3585 2.3585 2.6177 2.6177 3.0857 3.0857 3.9631 3.9631 5.5648 5.5648 8.5298 8.5298 9.7056 9.7056 11.0779 11.0779 11.2938 11.2938 k =-0.4865 0.5002 0.0550 ( 1790 PWs) bands (ev): -13.2978 -13.2978 -13.2548 -13.2548 -12.9962 -12.9962 -12.8126 -12.8126 -4.8595 -4.8595 -2.7111 -2.7111 -1.6764 -1.6764 -1.1569 -1.1569 -0.4671 -0.4671 0.0590 0.0590 2.0337 2.0337 2.3451 2.3451 2.6595 2.6595 3.0439 3.0439 3.9403 3.9403 5.5416 5.5416 8.5730 8.5730 9.7289 9.7289 11.0842 11.0842 11.2614 11.2614 k =-0.4865 0.5002 0.0642 ( 1796 PWs) bands (ev): -13.2959 -13.2959 -13.2488 -13.2488 -13.0003 -13.0003 -12.8176 -12.8176 -4.8445 -4.8445 -2.7722 -2.7722 -1.6638 -1.6638 -1.0918 -1.0918 -0.4481 -0.4481 0.0220 0.0220 2.0498 2.0498 2.3282 2.3282 2.7083 2.7083 2.9960 2.9960 3.9135 3.9135 5.5143 5.5143 8.6229 8.6229 9.7560 9.7560 11.0915 11.0915 11.2270 11.2270 k =-0.4865 0.5002 0.0734 ( 1800 PWs) bands (ev): -13.2934 -13.2934 -13.2422 -13.2422 -13.0050 -13.0050 -12.8234 -12.8234 -4.8271 -4.8271 -2.8367 -2.8367 -1.6492 -1.6492 -1.0229 -1.0229 -0.4269 -0.4269 -0.0186 -0.0186 2.0685 2.0685 2.3082 2.3082 2.7632 2.7632 2.9428 2.9428 3.8829 3.8829 5.4830 5.4830 8.6789 8.6789 9.7867 9.7867 11.0997 11.0997 11.1907 11.1907 k =-0.4865 0.5002 0.0825 ( 1800 PWs) bands (ev): -13.2905 -13.2905 -13.2349 -13.2349 -13.0102 -13.0102 -12.8299 -12.8299 -4.8075 -4.8075 -2.9037 -2.9037 -1.6328 -1.6328 -0.9513 -0.9513 -0.4037 -0.4037 -0.0618 -0.0618 2.0897 2.0897 2.2855 2.2855 2.8235 2.8235 2.8849 2.8849 3.8486 3.8486 5.4477 5.4477 8.7405 8.7405 9.8208 9.8208 11.1088 11.1088 11.1527 11.1527 k =-0.4865 0.5002 0.0917 ( 1800 PWs) bands (ev): -13.2871 -13.2871 -13.2270 -13.2270 -13.0159 -13.0159 -12.8370 -12.8370 -4.7856 -4.7856 -2.9723 -2.9723 -1.6144 -1.6144 -0.8779 -0.8779 -0.3793 -0.3793 -0.1066 -0.1066 2.1130 2.1130 2.2607 2.2607 2.8231 2.8231 2.8885 2.8885 3.8108 3.8108 5.4085 5.4085 8.8071 8.8071 9.8582 9.8582 11.1102 11.1102 11.1214 11.1214 k =-0.4865 0.5002 0.1009 ( 1803 PWs) bands (ev): -13.2831 -13.2831 -13.2185 -13.2185 -13.0222 -13.0222 -12.8448 -12.8448 -4.7615 -4.7615 -3.0421 -3.0421 -1.5941 -1.5941 -0.8033 -0.8033 -0.3554 -0.3554 -0.1510 -0.1510 2.1377 2.1377 2.2350 2.2350 2.7580 2.7580 2.9575 2.9575 3.7698 3.7698 5.3655 5.3655 8.8780 8.8780 9.8985 9.8985 11.0704 11.0704 11.1306 11.1306 k =-0.4865 0.5002 0.1101 ( 1799 PWs) bands (ev): -13.2787 -13.2787 -13.2095 -13.2095 -13.0289 -13.0289 -12.8533 -12.8533 -4.7352 -4.7352 -3.1126 -3.1126 -1.5720 -1.5720 -0.7283 -0.7283 -0.3364 -0.3364 -0.1904 -0.1904 2.1584 2.1584 2.2138 2.2138 2.6903 2.6903 3.0300 3.0300 3.7257 3.7257 5.3189 5.3189 8.9527 8.9527 9.9417 9.9417 11.0272 11.0272 11.1422 11.1422 k =-0.4865 0.5002 0.1192 ( 1796 PWs) bands (ev): -13.2737 -13.2737 -13.2000 -13.2000 -13.0361 -13.0361 -12.8623 -12.8623 -4.7067 -4.7067 -3.1833 -3.1833 -1.5479 -1.5479 -0.6534 -0.6534 -0.3344 -0.3344 -0.2124 -0.2124 2.1540 2.1540 2.2188 2.2188 2.6209 2.6209 3.1054 3.1054 3.6788 3.6788 5.2688 5.2688 9.0306 9.0306 9.9874 9.9874 10.9824 10.9824 11.1545 11.1545 k =-0.4865 0.5002 0.1284 ( 1798 PWs) bands (ev): -13.2683 -13.2683 -13.1900 -13.1900 -13.0437 -13.0437 -12.8719 -12.8719 -4.6761 -4.6761 -3.2540 -3.2540 -1.5220 -1.5220 -0.5791 -0.5791 -0.3608 -0.3608 -0.2059 -0.2059 2.1273 2.1273 2.2472 2.2472 2.5502 2.5502 3.1833 3.1833 3.6293 3.6293 5.2153 5.2153 9.1111 9.1111 10.0354 10.0354 10.9359 10.9359 11.1674 11.1674 k =-0.4865 0.5002 0.1376 ( 1800 PWs) bands (ev): -13.2624 -13.2624 -13.1795 -13.1795 -13.0516 -13.0516 -12.8820 -12.8820 -4.6434 -4.6434 -3.3245 -3.3245 -1.4943 -1.4943 -0.5060 -0.5060 -0.4044 -0.4044 -0.1817 -0.1817 2.0954 2.0954 2.2824 2.2824 2.4791 2.4791 3.2634 3.2634 3.5777 3.5777 5.1585 5.1585 9.1936 9.1936 10.0857 10.0857 10.8879 10.8879 11.1809 11.1809 k =-0.4865 0.5002 0.1467 ( 1798 PWs) bands (ev): -13.2561 -13.2561 -13.1686 -13.1686 -13.0600 -13.0600 -12.8926 -12.8926 -4.6085 -4.6085 -3.3944 -3.3944 -1.4648 -1.4648 -0.4560 -0.4560 -0.4331 -0.4331 -0.1509 -0.1509 2.0620 2.0620 2.3210 2.3210 2.4083 2.4083 3.3451 3.3451 3.5241 3.5241 5.0987 5.0987 9.2776 9.2776 10.1378 10.1378 10.8382 10.8382 11.1949 11.1949 k =-0.4865 0.5002 0.1559 ( 1798 PWs) bands (ev): -13.2493 -13.2493 -13.1573 -13.1573 -13.0686 -13.0686 -12.9036 -12.9036 -4.5716 -4.5716 -3.4638 -3.4638 -1.4335 -1.4335 -0.5080 -0.5080 -0.3646 -0.3646 -0.1177 -0.1177 2.0284 2.0284 2.3383 2.3383 2.3625 2.3625 3.4281 3.4281 3.4691 3.4691 5.0359 5.0359 9.3625 9.3625 10.1918 10.1918 10.7869 10.7869 11.2092 11.2092 k =-0.4865 0.5002 0.1651 ( 1800 PWs) bands (ev): -13.2421 -13.2421 -13.1457 -13.1457 -13.0775 -13.0775 -12.9151 -12.9151 -4.5326 -4.5326 -3.5323 -3.5323 -1.4005 -1.4005 -0.5618 -0.5618 -0.2980 -0.2980 -0.0839 -0.0839 1.9954 1.9954 2.2703 2.2703 2.4060 2.4060 3.4118 3.4118 3.5130 3.5130 4.9704 4.9704 9.4478 9.4478 10.2473 10.2473 10.7340 10.7340 11.2237 11.2237 k =-0.4865 0.5002 0.1743 ( 1798 PWs) bands (ev): -13.2346 -13.2346 -13.1337 -13.1337 -13.0866 -13.0866 -12.9269 -12.9269 -4.4917 -4.4917 -3.5999 -3.5999 -1.3657 -1.3657 -0.6161 -0.6161 -0.2347 -0.2347 -0.0508 -0.0508 1.9637 1.9637 2.2047 2.2047 2.4517 2.4517 3.3540 3.3540 3.5982 3.5982 4.9022 4.9022 9.5331 9.5331 10.3043 10.3043 10.6793 10.6793 11.2133 11.2133 k =-0.4865 0.5002 0.1834 ( 1798 PWs) bands (ev): -13.2267 -13.2267 -13.1214 -13.1214 -13.0960 -13.0960 -12.9391 -12.9391 -4.4488 -4.4488 -3.6665 -3.6665 -1.3293 -1.3293 -0.6703 -0.6703 -0.1753 -0.1753 -0.0193 -0.0193 1.9342 1.9342 2.1424 2.1424 2.4995 2.4995 3.2952 3.2952 3.6840 3.6840 4.8316 4.8316 9.6179 9.6179 10.3624 10.3624 10.6228 10.6228 11.1686 11.1686 k =-0.4865 0.5002 0.1926 ( 1803 PWs) bands (ev): -13.2184 -13.2184 -13.1089 -13.1089 -13.1055 -13.1055 -12.9515 -12.9515 -4.4039 -4.4039 -3.7320 -3.7320 -1.2911 -1.2911 -0.7242 -0.7242 -0.1205 -0.1205 0.0096 0.0096 1.9078 1.9078 2.0841 2.0841 2.5491 2.5491 3.2357 3.2357 3.7702 3.7702 4.7587 4.7587 9.7018 9.7018 10.4216 10.4216 10.5645 10.5645 11.1207 11.1207 k =-0.4865 0.5002 0.2018 ( 1806 PWs) bands (ev): -13.2099 -13.2099 -13.1151 -13.1151 -13.0961 -13.0961 -12.9643 -12.9643 -4.3572 -4.3572 -3.7963 -3.7963 -1.2514 -1.2514 -0.7774 -0.7774 -0.0710 -0.0710 0.0348 0.0348 1.8853 1.8853 2.0307 2.0307 2.6005 2.6005 3.1759 3.1759 3.8565 3.8565 4.6837 4.6837 9.7845 9.7845 10.4814 10.4814 10.5045 10.5045 11.0701 11.0701 k =-0.4865 0.5002 0.2109 ( 1802 PWs) bands (ev): -13.2011 -13.2011 -13.1248 -13.1248 -13.0831 -13.0831 -12.9772 -12.9772 -4.3086 -4.3086 -3.8592 -3.8592 -1.2101 -1.2101 -0.8300 -0.8300 -0.0274 -0.0274 0.0556 0.0556 1.8677 1.8677 1.9831 1.9831 2.6534 2.6534 3.1159 3.1159 3.9428 3.9428 4.6067 4.6067 9.8657 9.8657 10.4419 10.4419 10.5425 10.5425 11.0169 11.0169 k =-0.4865 0.5002 0.2201 ( 1803 PWs) bands (ev): -13.1920 -13.1920 -13.1346 -13.1346 -13.0700 -13.0700 -12.9903 -12.9903 -4.2583 -4.2583 -3.9208 -3.9208 -1.1673 -1.1673 -0.8816 -0.8816 0.0094 0.0094 0.0707 0.0707 1.8560 1.8560 1.9420 1.9420 2.7078 2.7078 3.0559 3.0559 4.0288 4.0288 4.5280 4.5280 9.9452 9.9452 10.3775 10.3775 10.6035 10.6035 10.9616 10.9616 k =-0.4865 0.5002 0.2293 ( 1801 PWs) bands (ev): -13.1828 -13.1828 -13.1444 -13.1444 -13.0568 -13.0568 -13.0035 -13.0035 -4.2061 -4.2061 -3.9810 -3.9810 -1.1230 -1.1230 -0.9323 -0.9323 0.0391 0.0391 0.0795 0.0795 1.8509 1.8509 1.9080 1.9080 2.7635 2.7635 2.9961 2.9961 4.1143 4.1143 4.4477 4.4477 10.0227 10.0227 10.3110 10.3110 10.6647 10.6647 10.9045 10.9045 k =-0.4865 0.5002 0.2384 ( 1804 PWs) bands (ev): -13.1733 -13.1733 -13.1541 -13.1541 -13.0435 -13.0435 -13.0168 -13.0168 -4.1523 -4.1523 -4.0397 -4.0397 -1.0773 -1.0773 -0.9818 -0.9818 0.0610 0.0610 0.0811 0.0811 1.8533 1.8533 1.8817 1.8817 2.8203 2.8203 2.9368 2.9368 4.1991 4.1991 4.3660 4.3660 10.0981 10.0981 10.2423 10.2423 10.7256 10.7256 10.8459 10.8459 k =-0.4865 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.1638 -13.1638 -13.1638 -13.1638 -13.0301 -13.0301 -13.0301 -13.0301 -4.0968 -4.0968 -4.0967 -4.0967 -1.0305 -1.0305 -1.0299 -1.0299 0.0746 0.0746 0.0754 0.0754 1.8633 1.8633 1.8636 1.8636 2.8776 2.8776 2.8788 2.8788 4.2825 4.2825 4.2837 4.2837 10.1709 10.1709 10.1717 10.1717 10.7859 10.7859 10.7865 10.7865 k =-0.4865 0.5002 0.2476 ( 1802 PWs) bands (ev): -13.1638 -13.1638 -13.1638 -13.1638 -13.0301 -13.0301 -13.0301 -13.0301 -4.0968 -4.0968 -4.0967 -4.0967 -1.0305 -1.0305 -1.0299 -1.0299 0.0746 0.0746 0.0754 0.0754 1.8633 1.8633 1.8636 1.8636 2.8776 2.8776 2.8788 2.8788 4.2825 4.2825 4.2837 4.2837 10.1709 10.1709 10.1717 10.1717 10.7859 10.7859 10.7865 10.7865 k =-0.4910 0.4956 0.2476 ( 1806 PWs) bands (ev): -13.1628 -13.1628 -13.1627 -13.1627 -13.0290 -13.0290 -13.0290 -13.0290 -4.0986 -4.0986 -4.0986 -4.0986 -1.0332 -1.0332 -1.0328 -1.0328 0.0739 0.0739 0.0744 0.0744 1.8649 1.8649 1.8650 1.8650 2.8802 2.8802 2.8810 2.8810 4.2749 4.2749 4.2758 4.2758 10.1719 10.1719 10.1724 10.1724 10.7886 10.7886 10.7890 10.7890 k =-0.4955 0.4910 0.2476 ( 1804 PWs) bands (ev): -13.1621 -13.1621 -13.1621 -13.1621 -13.0283 -13.0283 -13.0283 -13.0283 -4.0997 -4.0997 -4.0997 -4.0997 -1.0347 -1.0347 -1.0345 -1.0345 0.0735 0.0735 0.0737 0.0737 1.8658 1.8658 1.8659 1.8659 2.8819 2.8819 2.8823 2.8823 4.2704 4.2704 4.2708 4.2708 10.1725 10.1725 10.1728 10.1728 10.7903 10.7903 10.7906 10.7906 k =-0.5000 0.4864 0.2476 ( 1804 PWs) bands (ev): -13.1619 -13.1619 -13.1619 -13.1619 -13.0281 -13.0281 -13.0281 -13.0281 -4.1000 -4.1000 -4.1000 -4.1000 -1.0352 -1.0352 -1.0352 -1.0352 0.0734 0.0734 0.0734 0.0734 1.8661 1.8661 1.8661 1.8661 2.8826 2.8826 2.8826 2.8826 4.2691 4.2691 4.2691 4.2691 10.1728 10.1728 10.1728 10.1728 10.7910 10.7910 10.7910 10.7910 k =-0.5000 0.4864 0.2476 ( 1804 PWs) bands (ev): -13.1619 -13.1619 -13.1619 -13.1619 -13.0281 -13.0281 -13.0281 -13.0281 -4.1000 -4.1000 -4.1000 -4.1000 -1.0352 -1.0352 -1.0352 -1.0352 0.0734 0.0734 0.0734 0.0734 1.8661 1.8661 1.8661 1.8661 2.8826 2.8826 2.8826 2.8826 4.2691 4.2691 4.2691 4.2691 10.1728 10.1728 10.1728 10.1728 10.7910 10.7910 10.7910 10.7910 k =-0.5000 0.4864 0.2384 ( 1804 PWs) bands (ev): -13.1714 -13.1714 -13.1523 -13.1523 -13.0415 -13.0415 -13.0147 -13.0147 -4.1556 -4.1556 -4.0429 -4.0429 -1.0828 -1.0828 -0.9862 -0.9862 0.0593 0.0593 0.0796 0.0796 1.8559 1.8559 1.8844 1.8844 2.8245 2.8245 2.9414 2.9414 4.1843 4.1843 4.3528 4.3528 10.0996 10.0996 10.2438 10.2438 10.7299 10.7299 10.8513 10.8513 k =-0.5000 0.4864 0.2293 ( 1802 PWs) bands (ev): -13.1808 -13.1808 -13.1427 -13.1427 -13.0548 -13.0548 -13.0013 -13.0013 -4.2094 -4.2094 -3.9842 -3.9842 -1.1290 -1.1290 -0.9360 -0.9360 0.0372 0.0372 0.0780 0.0780 1.8536 1.8536 1.9106 1.9106 2.7674 2.7674 3.0009 3.0009 4.0988 4.0988 4.4353 4.4353 10.0241 10.0241 10.3125 10.3125 10.6685 10.6685 10.9106 10.9106 k =-0.5000 0.4864 0.2201 ( 1798 PWs) bands (ev): -13.1900 -13.1900 -13.1330 -13.1330 -13.0681 -13.0681 -12.9881 -12.9881 -4.2615 -4.2615 -3.9241 -3.9241 -1.1738 -1.1738 -0.8846 -0.8846 0.0075 0.0075 0.0693 0.0693 1.8586 1.8586 1.9446 1.9446 2.7114 2.7114 3.0608 3.0608 4.0125 4.0125 4.5164 4.5164 9.9466 9.9466 10.3790 10.3790 10.6069 10.6069 10.9685 10.9685 k =-0.5000 0.4864 0.2109 ( 1806 PWs) bands (ev): -13.1990 -13.1990 -13.1233 -13.1233 -13.0813 -13.0813 -12.9749 -12.9749 -4.3119 -4.3119 -3.8625 -3.8625 -1.2171 -1.2171 -0.8321 -0.8321 -0.0295 -0.0295 0.0541 0.0541 1.8703 1.8703 1.9857 1.9857 2.6567 2.6567 3.1209 3.1209 3.9258 3.9258 4.5960 4.5960 9.8670 9.8670 10.4433 10.4433 10.5454 10.5454 11.0245 11.0245 k =-0.5000 0.4864 0.2018 ( 1806 PWs) bands (ev): -13.2077 -13.2077 -13.1136 -13.1136 -13.0943 -13.0943 -12.9620 -12.9620 -4.3605 -4.3605 -3.7995 -3.7995 -1.2588 -1.2588 -0.7786 -0.7786 -0.0731 -0.0731 0.0333 0.0333 1.8879 1.8879 2.0332 2.0332 2.6033 2.6033 3.1811 3.1811 3.8388 3.8388 4.6738 4.6738 9.7856 9.7856 10.4840 10.4840 10.5059 10.5059 11.0786 11.0786 k =-0.5000 0.4864 0.1926 ( 1800 PWs) bands (ev): -13.2161 -13.2161 -13.1071 -13.1071 -13.1041 -13.1041 -12.9492 -12.9492 -4.4072 -4.4072 -3.7352 -3.7352 -1.2989 -1.2989 -0.7242 -0.7242 -0.1227 -0.1227 0.0077 0.0077 1.9104 1.9104 2.0865 2.0865 2.5515 2.5515 3.2411 3.2411 3.7518 3.7518 4.7498 4.7498 9.7028 9.7028 10.4240 10.4240 10.5658 10.5658 11.1303 11.1303 k =-0.5000 0.4864 0.1834 ( 1800 PWs) bands (ev): -13.2243 -13.2243 -13.1198 -13.1198 -13.0946 -13.0946 -12.9367 -12.9367 -4.4521 -4.4521 -3.6697 -3.6697 -1.3373 -1.3373 -0.6691 -0.6691 -0.1776 -0.1776 -0.0216 -0.0216 1.9370 1.9370 2.1446 2.1446 2.5014 2.5014 3.3006 3.3006 3.6649 3.6649 4.8236 4.8236 9.6186 9.6186 10.3645 10.3645 10.6241 10.6241 11.1794 11.1794 k =-0.5000 0.4864 0.1743 ( 1804 PWs) bands (ev): -13.2321 -13.2321 -13.1321 -13.1321 -13.0853 -13.0853 -12.9245 -12.9245 -4.4950 -4.4950 -3.6031 -3.6031 -1.3741 -1.3741 -0.6133 -0.6133 -0.2371 -0.2371 -0.0537 -0.0537 1.9666 1.9666 2.2068 2.2068 2.4531 2.4531 3.3594 3.3594 3.5784 3.5784 4.8952 4.8952 9.5335 9.5335 10.3061 10.3061 10.6805 10.6805 11.2249 11.2249 k =-0.5000 0.4864 0.1651 ( 1800 PWs) bands (ev): -13.2396 -13.2396 -13.1441 -13.1441 -13.0763 -13.0763 -12.9127 -12.9127 -4.5360 -4.5360 -3.5354 -3.5354 -1.4091 -1.4091 -0.5571 -0.5571 -0.3005 -0.3005 -0.0879 -0.0879 1.9985 1.9985 2.2723 2.2723 2.4067 2.4067 3.4172 3.4172 3.4927 3.4927 4.9644 4.9644 9.4479 9.4479 10.2489 10.2489 10.7351 10.7351 11.2249 11.2249 k =-0.5000 0.4864 0.1559 ( 1800 PWs) bands (ev): -13.2466 -13.2466 -13.1559 -13.1559 -13.0674 -13.0674 -12.9012 -12.9012 -4.5749 -4.5749 -3.4669 -3.4669 -1.4424 -1.4424 -0.5006 -0.5006 -0.3671 -0.3671 -0.1233 -0.1233 2.0319 2.0319 2.3401 2.3401 2.3624 2.3624 3.4072 3.4072 3.4744 3.4744 5.0310 5.0310 9.3622 9.3622 10.1932 10.1932 10.7881 10.7881 11.2103 11.2103 k =-0.5000 0.4864 0.1467 ( 1800 PWs) bands (ev): -13.2533 -13.2533 -13.1672 -13.1672 -13.0588 -13.0588 -12.8901 -12.8901 -4.6119 -4.6119 -3.3975 -3.3975 -1.4740 -1.4740 -0.4463 -0.4463 -0.4342 -0.4342 -0.1593 -0.1593 2.0659 2.0659 2.3200 2.3200 2.4099 2.4099 3.3235 3.3235 3.5296 3.5296 5.0949 5.0949 9.2769 9.2769 10.1391 10.1391 10.8393 10.8393 11.1959 11.1959 k =-0.5000 0.4864 0.1376 ( 1796 PWs) bands (ev): -13.2595 -13.2595 -13.1782 -13.1782 -13.0506 -13.0506 -12.8794 -12.8794 -4.6467 -4.6467 -3.3275 -3.3275 -1.5037 -1.5037 -0.5085 -0.5085 -0.3871 -0.3871 -0.1953 -0.1953 2.1000 2.1000 2.2802 2.2802 2.4805 2.4805 3.2410 3.2410 3.5832 3.5832 5.1559 5.1559 9.1926 9.1926 10.0868 10.0868 10.8890 10.8890 11.1819 11.1819 k =-0.5000 0.4864 0.1284 ( 1796 PWs) bands (ev): -13.2653 -13.2653 -13.1888 -13.1888 -13.0426 -13.0426 -12.8693 -12.8693 -4.6795 -4.6795 -3.2571 -3.2571 -1.5317 -1.5317 -0.5817 -0.5817 -0.3312 -0.3312 -0.2307 -0.2307 2.1332 2.1332 2.2432 2.2432 2.5513 2.5513 3.1603 3.1603 3.6348 3.6348 5.2139 5.2139 9.1096 9.1096 10.0364 10.0364 10.9371 10.9371 11.1683 11.1683 k =-0.5000 0.4864 0.1192 ( 1800 PWs) bands (ev): -13.2706 -13.2706 -13.1989 -13.1989 -13.0351 -13.0351 -12.8597 -12.8597 -4.7101 -4.7101 -3.1864 -3.1864 -1.5577 -1.5577 -0.6560 -0.6560 -0.2775 -0.2775 -0.2636 -0.2636 2.1623 2.1623 2.2118 2.2118 2.6217 2.6217 3.0817 3.0817 3.6842 3.6842 5.2686 5.2686 9.0286 9.0286 9.9882 9.9882 10.9835 10.9835 11.1553 11.1553 k =-0.5000 0.4864 0.1101 ( 1796 PWs) bands (ev): -13.2754 -13.2754 -13.2086 -13.2086 -13.0280 -13.0280 -12.8506 -12.8506 -4.7386 -4.7386 -3.1156 -3.1156 -1.5820 -1.5820 -0.7310 -0.7310 -0.2991 -0.2991 -0.2208 -0.2208 2.1632 2.1632 2.2099 2.2099 2.6909 2.6909 3.0056 3.0056 3.7311 3.7311 5.3199 5.3199 8.9501 8.9501 9.9424 9.9424 11.0284 11.0284 11.1430 11.1430 k =-0.5000 0.4864 0.1009 ( 1798 PWs) bands (ev): -13.2797 -13.2797 -13.2177 -13.2177 -13.0213 -13.0213 -12.8422 -12.8422 -4.7649 -4.7649 -3.0451 -3.0451 -1.6043 -1.6043 -0.8060 -0.8060 -0.3305 -0.3305 -0.1678 -0.1678 2.1370 2.1370 2.2360 2.2360 2.7583 2.7583 2.9324 2.9324 3.7751 3.7751 5.3678 5.3678 8.8748 8.8748 9.8992 9.8992 11.0715 11.0715 11.1314 11.1314 k =-0.5000 0.4864 0.0917 ( 1802 PWs) bands (ev): -13.2835 -13.2835 -13.2264 -13.2264 -13.0151 -13.0151 -12.8344 -12.8344 -4.7890 -4.7890 -2.9753 -2.9753 -1.6248 -1.6248 -0.8806 -0.8806 -0.3600 -0.3600 -0.1166 -0.1166 2.1097 2.1097 2.2639 2.2639 2.8231 2.8231 2.8626 2.8626 3.8161 3.8161 5.4120 5.4120 8.8033 8.8033 9.8588 9.8588 11.1114 11.1114 11.1222 11.1222 k =-0.5000 0.4864 0.0825 ( 1806 PWs) bands (ev): -13.2867 -13.2867 -13.2344 -13.2344 -13.0094 -13.0094 -12.8272 -12.8272 -4.8109 -4.8109 -2.9066 -2.9066 -1.6433 -1.6433 -0.9541 -0.9541 -0.3874 -0.3874 -0.0676 -0.0676 2.0843 2.0843 2.2904 2.2904 2.7966 2.7966 2.8847 2.8847 3.8538 3.8538 5.4524 5.4524 8.7361 8.7361 9.8214 9.8214 11.1094 11.1094 11.1541 11.1541 k =-0.5000 0.4864 0.0734 ( 1802 PWs) bands (ev): -13.2895 -13.2895 -13.2419 -13.2419 -13.0042 -13.0042 -12.8207 -12.8207 -4.8305 -4.8305 -2.8396 -2.8396 -1.6599 -1.6599 -1.0257 -1.0257 -0.4124 -0.4124 -0.0213 -0.0213 2.0613 2.0613 2.3148 2.3148 2.7351 2.7351 2.9423 2.9423 3.8880 3.8880 5.4890 5.4890 8.6739 8.6739 9.7872 9.7872 11.1003 11.1003 11.1922 11.1922 k =-0.5000 0.4864 0.0642 ( 1802 PWs) bands (ev): -13.2917 -13.2917 -13.2488 -13.2488 -12.9995 -12.9995 -12.8149 -12.8149 -4.8478 -4.8478 -2.7750 -2.7750 -1.6746 -1.6746 -1.0946 -1.0946 -0.4349 -0.4349 0.0216 0.0216 2.0408 2.0408 2.3369 2.3369 2.6787 2.6787 2.9953 2.9953 3.9185 3.9185 5.5215 5.5215 8.6173 8.6173 9.7564 9.7564 11.0919 11.0919 11.2287 11.2287 k =-0.5000 0.4864 0.0550 ( 1796 PWs) bands (ev): -13.2933 -13.2933 -13.2551 -13.2551 -12.9955 -12.9955 -12.8099 -12.8099 -4.8629 -4.8629 -2.7138 -2.7138 -1.6874 -1.6874 -1.1596 -1.1596 -0.4546 -0.4546 0.0606 0.0606 2.0229 2.0229 2.3563 2.3563 2.6279 2.6279 3.0429 3.0429 3.9452 3.9452 5.5499 5.5499 8.5669 8.5669 9.7293 9.7293 11.0846 11.0846 11.2634 11.2634 k =-0.5000 0.4864 0.0459 ( 1792 PWs) bands (ev): -13.2945 -13.2945 -13.2606 -13.2606 -12.9920 -12.9920 -12.8055 -12.8055 -4.8757 -4.8757 -2.6573 -2.6573 -1.6982 -1.6982 -1.2196 -1.2196 -0.4715 -0.4715 0.0950 0.0950 2.0077 2.0077 2.3730 2.3730 2.5835 2.5835 3.0846 3.0846 3.9679 3.9679 5.5741 5.5741 8.5232 8.5232 9.7060 9.7060 11.0783 11.0783 11.2960 11.2960 k =-0.5000 0.4864 0.0367 ( 1792 PWs) bands (ev): -13.2953 -13.2953 -13.2654 -13.2654 -12.9891 -12.9891 -12.8020 -12.8020 -4.8862 -4.8862 -2.6070 -2.6070 -1.7070 -1.7070 -1.2729 -1.2729 -0.4855 -0.4855 0.1242 0.1242 1.9953 1.9953 2.3869 2.3869 2.5461 2.5461 3.1196 3.1196 3.9865 3.9865 5.5940 5.5940 8.4866 8.4866 9.6866 9.6866 11.0730 11.0730 11.3265 11.3265 k =-0.5000 0.4864 0.0275 ( 1784 PWs) bands (ev): -13.2956 -13.2956 -13.2694 -13.2694 -12.9869 -12.9869 -12.7992 -12.7992 -4.8943 -4.8943 -2.5647 -2.5647 -1.7139 -1.7139 -1.3175 -1.3175 -0.4964 -0.4964 0.1477 0.1477 1.9855 1.9855 2.3977 2.3977 2.5162 2.5162 3.1475 3.1475 4.0011 4.0011 5.6095 5.6095 8.4578 8.4578 9.6716 9.6716 11.0689 11.0689 11.3546 11.3546 k =-0.5000 0.4864 0.0183 ( 1784 PWs) bands (ev): -13.2957 -13.2957 -13.2724 -13.2724 -12.9853 -12.9853 -12.7972 -12.7972 -4.9002 -4.9002 -2.5323 -2.5323 -1.7188 -1.7188 -1.3515 -1.3515 -0.5043 -0.5043 0.1649 0.1649 1.9786 1.9786 2.4055 2.4055 2.4944 2.4944 3.1678 3.1678 4.0115 4.0115 5.6207 5.6207 8.4369 8.4369 9.6607 9.6607 11.0659 11.0659 11.3797 11.3797 k =-0.5000 0.4864 0.0092 ( 1784 PWs) bands (ev): -13.2957 -13.2957 -13.2743 -13.2743 -12.9843 -12.9843 -12.7960 -12.7960 -4.9037 -4.9037 -2.5120 -2.5120 -1.7218 -1.7218 -1.3729 -1.3729 -0.5090 -0.5090 0.1754 0.1754 1.9744 1.9744 2.4102 2.4102 2.4812 2.4812 3.1801 3.1801 4.0177 4.0177 5.6274 5.6274 8.4242 8.4242 9.6541 9.6541 11.0641 11.0641 11.4004 11.4004 k =-0.5000 0.4864-0.0000 ( 1784 PWs) bands (ev): -13.2956 -13.2956 -13.2749 -13.2749 -12.9840 -12.9840 -12.7956 -12.7956 -4.9048 -4.9048 -2.5050 -2.5050 -1.7228 -1.7228 -1.3803 -1.3803 -0.5106 -0.5106 0.1789 0.1789 1.9730 1.9730 2.4118 2.4118 2.4767 2.4767 3.1842 3.1842 4.0198 4.0198 5.6296 5.6296 8.4200 8.4200 9.6519 9.6519 11.0635 11.0635 11.4102 11.4102 k = 0.0000 0.0000 0.2476 ( 1776 PWs) bands (ev): -15.3037 -15.3037 -15.3037 -15.3037 -12.5245 -12.5245 -12.5245 -12.5245 -1.8525 -1.8525 -1.8525 -1.8525 -0.1798 -0.1798 -0.1798 -0.1798 2.9894 2.9894 2.9894 2.9894 3.1412 3.1412 3.1412 3.1412 3.5619 3.5619 3.5619 3.5619 5.0281 5.0281 5.0281 5.0281 7.1038 7.1038 7.1038 7.1038 9.0933 9.0933 9.0933 9.0933 k =-0.0066 0.0064 0.2476 ( 1776 PWs) bands (ev): -15.3030 -15.3030 -15.3030 -15.3030 -12.5247 -12.5247 -12.5247 -12.5247 -1.8538 -1.8538 -1.8538 -1.8538 -0.1791 -0.1791 -0.1791 -0.1791 2.9772 2.9772 2.9772 2.9772 3.1370 3.1370 3.1370 3.1370 3.5749 3.5749 3.5749 3.5749 5.0283 5.0283 5.0283 5.0283 7.1078 7.1078 7.1078 7.1078 9.0925 9.0925 9.0925 9.0925 k =-0.0132 0.0128 0.2476 ( 1772 PWs) bands (ev): -15.3008 -15.3008 -15.3008 -15.3008 -12.5252 -12.5252 -12.5252 -12.5252 -1.8577 -1.8577 -1.8577 -1.8577 -0.1769 -0.1769 -0.1769 -0.1769 2.9436 2.9436 2.9436 2.9436 3.1243 3.1243 3.1243 3.1243 3.6107 3.6107 3.6107 3.6107 5.0286 5.0286 5.0286 5.0286 7.1196 7.1196 7.1196 7.1196 9.0903 9.0903 9.0903 9.0903 k =-0.0197 0.0192 0.2476 ( 1770 PWs) bands (ev): -15.2972 -15.2972 -15.2972 -15.2972 -12.5261 -12.5261 -12.5261 -12.5261 -1.8641 -1.8641 -1.8641 -1.8641 -0.1735 -0.1735 -0.1735 -0.1735 2.8949 2.8949 2.8949 2.8949 3.1034 3.1034 3.1034 3.1034 3.6631 3.6631 3.6631 3.6631 5.0292 5.0292 5.0292 5.0292 7.1391 7.1391 7.1391 7.1391 9.0866 9.0866 9.0866 9.0866 k =-0.0263 0.0256 0.2476 ( 1770 PWs) bands (ev): -15.2922 -15.2922 -15.2922 -15.2922 -12.5274 -12.5274 -12.5274 -12.5274 -1.8730 -1.8730 -1.8730 -1.8730 -0.1689 -0.1689 -0.1689 -0.1689 2.8371 2.8371 2.8371 2.8371 3.0746 3.0746 3.0746 3.0746 3.7262 3.7262 3.7262 3.7262 5.0298 5.0298 5.0298 5.0298 7.1660 7.1660 7.1660 7.1660 9.0815 9.0815 9.0816 9.0816 k =-0.0329 0.0320 0.2476 ( 1774 PWs) bands (ev): -15.2857 -15.2857 -15.2857 -15.2857 -12.5290 -12.5290 -12.5290 -12.5290 -1.8842 -1.8842 -1.8842 -1.8842 -0.1636 -0.1636 -0.1636 -0.1636 2.7745 2.7745 2.7745 2.7745 3.0384 3.0384 3.0384 3.0384 3.7957 3.7957 3.7957 3.7957 5.0303 5.0303 5.0303 5.0303 7.2002 7.2002 7.2002 7.2002 9.0752 9.0752 9.0752 9.0752 k =-0.0395 0.0384 0.2476 ( 1774 PWs) bands (ev): -15.2778 -15.2778 -15.2778 -15.2778 -12.5310 -12.5310 -12.5310 -12.5310 -1.8974 -1.8974 -1.8974 -1.8974 -0.1578 -0.1578 -0.1578 -0.1578 2.7097 2.7097 2.7097 2.7097 2.9952 2.9952 2.9952 2.9952 3.8690 3.8690 3.8690 3.8690 5.0306 5.0306 5.0306 5.0306 7.2411 7.2411 7.2411 7.2411 9.0678 9.0678 9.0678 9.0678 k =-0.0461 0.0448 0.2476 ( 1776 PWs) bands (ev): -15.2684 -15.2684 -15.2684 -15.2684 -12.5333 -12.5333 -12.5333 -12.5333 -1.9126 -1.9126 -1.9126 -1.9126 -0.1520 -0.1520 -0.1520 -0.1520 2.6446 2.6446 2.6446 2.6446 2.9457 2.9457 2.9457 2.9457 3.9443 3.9443 3.9443 3.9443 5.0306 5.0306 5.0306 5.0306 7.2884 7.2884 7.2884 7.2884 9.0593 9.0593 9.0593 9.0593 k =-0.0526 0.0512 0.2476 ( 1776 PWs) bands (ev): -15.2576 -15.2576 -15.2576 -15.2576 -12.5360 -12.5360 -12.5360 -12.5360 -1.9294 -1.9294 -1.9294 -1.9294 -0.1465 -0.1465 -0.1465 -0.1465 2.5806 2.5806 2.5806 2.5806 2.8904 2.8904 2.8904 2.8904 4.0203 4.0203 4.0203 4.0203 5.0300 5.0300 5.0300 5.0300 7.3417 7.3417 7.3417 7.3417 9.0500 9.0500 9.0500 9.0500 k =-0.0592 0.0576 0.2476 ( 1780 PWs) bands (ev): -15.2455 -15.2455 -15.2455 -15.2455 -12.5391 -12.5391 -12.5391 -12.5391 -1.9477 -1.9477 -1.9477 -1.9477 -0.1419 -0.1419 -0.1419 -0.1419 2.5185 2.5185 2.5185 2.5185 2.8299 2.8299 2.8299 2.8299 4.0963 4.0963 4.0963 4.0963 5.0288 5.0288 5.0288 5.0288 7.4004 7.4004 7.4004 7.4004 9.0401 9.0401 9.0401 9.0401 k =-0.0658 0.0640 0.2476 ( 1776 PWs) bands (ev): -15.2319 -15.2319 -15.2319 -15.2319 -12.5425 -12.5425 -12.5425 -12.5425 -1.9672 -1.9672 -1.9672 -1.9672 -0.1386 -0.1386 -0.1386 -0.1386 2.4592 2.4592 2.4592 2.4592 2.7647 2.7647 2.7647 2.7647 4.1716 4.1716 4.1716 4.1716 5.0269 5.0269 5.0269 5.0269 7.4641 7.4641 7.4641 7.4641 9.0298 9.0298 9.0298 9.0298 k =-0.0724 0.0704 0.2476 ( 1776 PWs) bands (ev): -15.2169 -15.2169 -15.2169 -15.2169 -12.5462 -12.5462 -12.5462 -12.5462 -1.9878 -1.9878 -1.9878 -1.9878 -0.1371 -0.1371 -0.1371 -0.1371 2.4032 2.4032 2.4032 2.4032 2.6955 2.6955 2.6955 2.6955 4.2455 4.2455 4.2455 4.2455 5.0242 5.0242 5.0242 5.0242 7.5323 7.5323 7.5323 7.5323 9.0192 9.0192 9.0192 9.0192 k =-0.0789 0.0768 0.2476 ( 1776 PWs) bands (ev): -15.2006 -15.2006 -15.2006 -15.2006 -12.5503 -12.5503 -12.5503 -12.5503 -2.0093 -2.0093 -2.0093 -2.0093 -0.1379 -0.1379 -0.1379 -0.1379 2.3511 2.3511 2.3511 2.3511 2.6227 2.6227 2.6227 2.6227 4.3177 4.3177 4.3177 4.3177 5.0208 5.0208 5.0208 5.0208 7.6045 7.6045 7.6045 7.6045 9.0087 9.0087 9.0087 9.0087 k =-0.0855 0.0832 0.2476 ( 1768 PWs) bands (ev): -15.1829 -15.1829 -15.1829 -15.1829 -12.5548 -12.5548 -12.5548 -12.5548 -2.0314 -2.0314 -2.0314 -2.0314 -0.1414 -0.1414 -0.1414 -0.1414 2.3032 2.3032 2.3032 2.3032 2.5468 2.5468 2.5468 2.5468 4.3877 4.3877 4.3877 4.3877 5.0164 5.0164 5.0164 5.0164 7.6802 7.6802 7.6802 7.6802 8.9985 8.9985 8.9985 8.9985 k =-0.0921 0.0896 0.2476 ( 1768 PWs) bands (ev): -15.1638 -15.1638 -15.1638 -15.1638 -12.5596 -12.5596 -12.5596 -12.5596 -2.0540 -2.0540 -2.0540 -2.0540 -0.1480 -0.1480 -0.1480 -0.1480 2.2600 2.2600 2.2600 2.2600 2.4682 2.4682 2.4682 2.4682 4.4551 4.4551 4.4551 4.4551 5.0112 5.0112 5.0112 5.0112 7.7590 7.7590 7.7590 7.7590 8.9888 8.9888 8.9888 8.9888 k =-0.0987 0.0960 0.2476 ( 1772 PWs) bands (ev): -15.1434 -15.1434 -15.1434 -15.1434 -12.5647 -12.5647 -12.5647 -12.5647 -2.0769 -2.0769 -2.0769 -2.0769 -0.1580 -0.1580 -0.1580 -0.1580 2.2216 2.2216 2.2216 2.2216 2.3875 2.3875 2.3875 2.3875 4.5195 4.5195 4.5195 4.5195 5.0051 5.0051 5.0051 5.0051 7.8406 7.8406 7.8406 7.8406 8.9799 8.9799 8.9799 8.9799 k =-0.1053 0.1024 0.2476 ( 1772 PWs) bands (ev): -15.1217 -15.1217 -15.1217 -15.1217 -12.5702 -12.5702 -12.5702 -12.5702 -2.1001 -2.1001 -2.1001 -2.1001 -0.1716 -0.1716 -0.1716 -0.1716 2.1881 2.1881 2.1881 2.1881 2.3049 2.3049 2.3049 2.3049 4.5808 4.5808 4.5808 4.5808 4.9982 4.9982 4.9982 4.9982 7.9245 7.9245 7.9245 7.9245 8.9720 8.9720 8.9720 8.9720 k =-0.1118 0.1088 0.2476 ( 1772 PWs) bands (ev): -15.0987 -15.0987 -15.0987 -15.0987 -12.5761 -12.5761 -12.5761 -12.5761 -2.1234 -2.1234 -2.1234 -2.1234 -0.1889 -0.1889 -0.1889 -0.1889 2.1594 2.1594 2.1594 2.1594 2.2211 2.2211 2.2211 2.2211 4.6385 4.6385 4.6385 4.6385 4.9904 4.9904 4.9904 4.9904 8.0103 8.0103 8.0103 8.0103 8.9654 8.9654 8.9654 8.9654 k =-0.1184 0.1152 0.2476 ( 1772 PWs) bands (ev): -15.0744 -15.0744 -15.0744 -15.0744 -12.5822 -12.5822 -12.5822 -12.5822 -2.1468 -2.1468 -2.1468 -2.1468 -0.2100 -0.2100 -0.2100 -0.2100 2.1284 2.1284 2.1284 2.1284 2.1434 2.1434 2.1434 2.1434 4.6923 4.6923 4.6923 4.6923 4.9819 4.9819 4.9819 4.9819 8.0977 8.0977 8.0977 8.0977 8.9602 8.9602 8.9602 8.9602 k =-0.1250 0.1216 0.2476 ( 1772 PWs) bands (ev): -15.0489 -15.0489 -15.0489 -15.0489 -12.5887 -12.5887 -12.5887 -12.5887 -2.1701 -2.1701 -2.1701 -2.1701 -0.2347 -0.2347 -0.2347 -0.2347 2.0475 2.0475 2.0475 2.0475 2.1195 2.1195 2.1195 2.1195 4.7421 4.7421 4.7421 4.7421 4.9726 4.9726 4.9726 4.9726 8.1865 8.1865 8.1865 8.1865 8.9568 8.9568 8.9568 8.9568 k =-0.1316 0.1280 0.2476 ( 1768 PWs) bands (ev): -15.0222 -15.0222 -15.0222 -15.0222 -12.5955 -12.5955 -12.5955 -12.5955 -2.1934 -2.1934 -2.1934 -2.1934 -0.2628 -0.2628 -0.2628 -0.2628 1.9608 1.9608 1.9608 1.9608 2.1053 2.1053 2.1053 2.1053 4.7876 4.7876 4.7876 4.7876 4.9626 4.9626 4.9626 4.9626 8.2763 8.2763 8.2763 8.2763 8.9554 8.9554 8.9554 8.9554 k =-0.1382 0.1344 0.2476 ( 1772 PWs) bands (ev): -14.9942 -14.9942 -14.9942 -14.9942 -12.6026 -12.6026 -12.6026 -12.6026 -2.2166 -2.2166 -2.2166 -2.2166 -0.2942 -0.2942 -0.2942 -0.2942 1.8733 1.8733 1.8733 1.8733 2.0957 2.0957 2.0957 2.0957 4.8285 4.8285 4.8285 4.8285 4.9520 4.9520 4.9520 4.9520 8.3668 8.3668 8.3668 8.3668 8.9560 8.9560 8.9560 8.9560 k =-0.1447 0.1408 0.2476 ( 1768 PWs) bands (ev): -14.9650 -14.9650 -14.9650 -14.9650 -12.6100 -12.6100 -12.6100 -12.6100 -2.2398 -2.2398 -2.2398 -2.2398 -0.3284 -0.3284 -0.3284 -0.3284 1.7855 1.7855 1.7855 1.7855 2.0901 2.0901 2.0901 2.0901 4.8645 4.8645 4.8645 4.8645 4.9411 4.9411 4.9411 4.9411 8.4578 8.4578 8.4578 8.4578 8.9588 8.9588 8.9588 8.9588 k =-0.1513 0.1472 0.2476 ( 1760 PWs) bands (ev): -14.9347 -14.9347 -14.9347 -14.9347 -12.6177 -12.6177 -12.6177 -12.6177 -2.2629 -2.2629 -2.2629 -2.2629 -0.3650 -0.3650 -0.3650 -0.3650 1.6975 1.6975 1.6975 1.6975 2.0879 2.0879 2.0879 2.0879 4.8943 4.8943 4.8943 4.8943 4.9309 4.9309 4.9309 4.9309 8.5491 8.5491 8.5491 8.5491 8.9640 8.9640 8.9640 8.9640 k =-0.1579 0.1536 0.2476 ( 1760 PWs) bands (ev): -14.9033 -14.9033 -14.9033 -14.9033 -12.6258 -12.6258 -12.6258 -12.6258 -2.2861 -2.2861 -2.2861 -2.2861 -0.4035 -0.4035 -0.4035 -0.4035 1.6096 1.6096 1.6096 1.6096 2.0888 2.0888 2.0888 2.0888 4.9077 4.9077 4.9077 4.9077 4.9317 4.9317 4.9317 4.9317 8.6405 8.6405 8.6405 8.6405 8.9716 8.9716 8.9716 8.9716 k =-0.1645 0.1600 0.2476 ( 1768 PWs) bands (ev): -14.8708 -14.8708 -14.8708 -14.8708 -12.6340 -12.6340 -12.6340 -12.6340 -2.3095 -2.3095 -2.3095 -2.3095 -0.4435 -0.4435 -0.4435 -0.4435 1.5220 1.5220 1.5220 1.5220 2.0921 2.0921 2.0921 2.0921 4.8987 4.8987 4.8987 4.8987 4.9496 4.9496 4.9496 4.9496 8.7318 8.7318 8.7318 8.7318 8.9817 8.9817 8.9817 8.9817 k =-0.1711 0.1664 0.2476 ( 1768 PWs) bands (ev): -14.8372 -14.8372 -14.8372 -14.8372 -12.6426 -12.6426 -12.6426 -12.6426 -2.3330 -2.3330 -2.3330 -2.3330 -0.4844 -0.4844 -0.4844 -0.4844 1.4347 1.4347 1.4347 1.4347 2.0975 2.0975 2.0975 2.0975 4.8858 4.8858 4.8858 4.8858 4.9661 4.9661 4.9661 4.9661 8.8227 8.8227 8.8227 8.8227 8.9943 8.9943 8.9943 8.9943 k =-0.1776 0.1728 0.2476 ( 1762 PWs) bands (ev): -14.8026 -14.8026 -14.8026 -14.8026 -12.6514 -12.6514 -12.6514 -12.6514 -2.3569 -2.3569 -2.3569 -2.3569 -0.5256 -0.5256 -0.5256 -0.5256 1.3479 1.3479 1.3479 1.3479 2.1044 2.1044 2.1044 2.1044 4.8718 4.8718 4.8718 4.8718 4.9783 4.9783 4.9783 4.9783 8.9131 8.9131 8.9131 8.9131 9.0094 9.0094 9.0094 9.0094 k =-0.1842 0.1792 0.2476 ( 1766 PWs) bands (ev): -14.7671 -14.7671 -14.7671 -14.7671 -12.6605 -12.6605 -12.6605 -12.6605 -2.3813 -2.3813 -2.3813 -2.3813 -0.5668 -0.5668 -0.5668 -0.5668 1.2617 1.2617 1.2617 1.2617 2.1124 2.1124 2.1124 2.1124 4.8572 4.8572 4.8572 4.8572 4.9861 4.9861 4.9861 4.9861 9.0018 9.0018 9.0018 9.0018 9.0278 9.0278 9.0278 9.0278 k =-0.1908 0.1856 0.2476 ( 1766 PWs) bands (ev): -14.7305 -14.7305 -14.7305 -14.7305 -12.6698 -12.6698 -12.6698 -12.6698 -2.4063 -2.4063 -2.4063 -2.4063 -0.6073 -0.6073 -0.6073 -0.6073 1.1763 1.1763 1.1763 1.1763 2.1210 2.1210 2.1210 2.1210 4.8421 4.8421 4.8421 4.8421 4.9893 4.9893 4.9893 4.9893 9.0448 9.0448 9.0448 9.0448 9.0935 9.0935 9.0935 9.0935 k =-0.1974 0.1920 0.2476 ( 1770 PWs) bands (ev): -14.6931 -14.6931 -14.6931 -14.6931 -12.6793 -12.6793 -12.6793 -12.6793 -2.4322 -2.4322 -2.4322 -2.4322 -0.6467 -0.6467 -0.6467 -0.6467 1.0917 1.0917 1.0917 1.0917 2.1298 2.1298 2.1298 2.1298 4.8265 4.8265 4.8265 4.8265 4.9881 4.9881 4.9881 4.9881 9.0668 9.0668 9.0668 9.0668 9.1814 9.1814 9.1814 9.1814 k =-0.2039 0.1984 0.2476 ( 1770 PWs) bands (ev): -14.6548 -14.6548 -14.6548 -14.6548 -12.6890 -12.6890 -12.6890 -12.6890 -2.4590 -2.4590 -2.4590 -2.4590 -0.6844 -0.6844 -0.6844 -0.6844 1.0080 1.0080 1.0080 1.0080 2.1386 2.1386 2.1386 2.1386 4.8106 4.8106 4.8106 4.8106 4.9826 4.9826 4.9826 4.9826 9.0904 9.0904 9.0904 9.0904 9.2686 9.2686 9.2686 9.2686 k =-0.2105 0.2048 0.2476 ( 1776 PWs) bands (ev): -14.6157 -14.6157 -14.6157 -14.6157 -12.6990 -12.6990 -12.6990 -12.6990 -2.4871 -2.4871 -2.4871 -2.4871 -0.7200 -0.7200 -0.7200 -0.7200 0.9254 0.9254 0.9254 0.9254 2.1468 2.1468 2.1468 2.1468 4.7944 4.7944 4.7944 4.7944 4.9730 4.9730 4.9730 4.9730 9.1157 9.1157 9.1157 9.1157 9.3549 9.3549 9.3549 9.3549 k =-0.2171 0.2112 0.2476 ( 1776 PWs) bands (ev): -14.5758 -14.5758 -14.5758 -14.5758 -12.7091 -12.7091 -12.7091 -12.7091 -2.5165 -2.5165 -2.5165 -2.5165 -0.7531 -0.7531 -0.7531 -0.7531 0.8438 0.8438 0.8438 0.8438 2.1543 2.1543 2.1543 2.1543 4.7779 4.7779 4.7779 4.7779 4.9596 4.9596 4.9596 4.9596 9.1426 9.1426 9.1426 9.1426 9.4400 9.4400 9.4400 9.4400 k =-0.2237 0.2176 0.2476 ( 1776 PWs) bands (ev): -14.5352 -14.5352 -14.5352 -14.5352 -12.7193 -12.7193 -12.7193 -12.7193 -2.5474 -2.5474 -2.5474 -2.5474 -0.7833 -0.7833 -0.7833 -0.7833 0.7634 0.7634 0.7634 0.7634 2.1608 2.1608 2.1608 2.1608 4.7612 4.7612 4.7612 4.7612 4.9424 4.9424 4.9424 4.9424 9.1708 9.1708 9.1708 9.1708 9.5238 9.5238 9.5238 9.5238 k =-0.2303 0.2240 0.2476 ( 1776 PWs) bands (ev): -14.4939 -14.4939 -14.4939 -14.4939 -12.7297 -12.7297 -12.7297 -12.7297 -2.5799 -2.5799 -2.5799 -2.5799 -0.8102 -0.8102 -0.8102 -0.8102 0.6843 0.6843 0.6843 0.6843 2.1660 2.1660 2.1660 2.1660 4.7443 4.7443 4.7443 4.7443 4.9216 4.9216 4.9216 4.9216 9.2002 9.2002 9.2002 9.2002 9.6063 9.6063 9.6063 9.6063 k =-0.2368 0.2304 0.2476 ( 1774 PWs) bands (ev): -14.4519 -14.4519 -14.4519 -14.4519 -12.7402 -12.7402 -12.7402 -12.7402 -2.6142 -2.6142 -2.6142 -2.6142 -0.8336 -0.8336 -0.8336 -0.8336 0.6064 0.6064 0.6064 0.6064 2.1697 2.1697 2.1697 2.1697 4.7272 4.7272 4.7272 4.7272 4.8976 4.8976 4.8976 4.8976 9.2306 9.2306 9.2306 9.2306 9.6874 9.6874 9.6874 9.6874 k =-0.2434 0.2368 0.2476 ( 1774 PWs) bands (ev): -14.4094 -14.4094 -14.4094 -14.4094 -12.7508 -12.7508 -12.7508 -12.7508 -2.6503 -2.6503 -2.6503 -2.6503 -0.8533 -0.8533 -0.8533 -0.8533 0.5299 0.5299 0.5299 0.5299 2.1719 2.1719 2.1719 2.1719 4.7100 4.7100 4.7100 4.7100 4.8703 4.8703 4.8703 4.8703 9.2618 9.2618 9.2618 9.2618 9.7669 9.7669 9.7669 9.7669 k =-0.2500 0.2432 0.2476 ( 1772 PWs) bands (ev): -14.3665 -14.3665 -14.3665 -14.3665 -12.7615 -12.7615 -12.7615 -12.7615 -2.6883 -2.6883 -2.6883 -2.6883 -0.8690 -0.8690 -0.8690 -0.8690 0.4548 0.4548 0.4548 0.4548 2.1724 2.1724 2.1724 2.1724 4.6927 4.6927 4.6927 4.6927 4.8401 4.8401 4.8401 4.8401 9.2936 9.2936 9.2936 9.2936 9.8449 9.8449 9.8449 9.8449 k =-0.2566 0.2496 0.2476 ( 1772 PWs) bands (ev): -14.3230 -14.3230 -14.3230 -14.3230 -12.7723 -12.7723 -12.7723 -12.7723 -2.7282 -2.7282 -2.7282 -2.7282 -0.8806 -0.8806 -0.8806 -0.8806 0.3812 0.3812 0.3812 0.3812 2.1711 2.1711 2.1711 2.1711 4.6753 4.6753 4.6753 4.6753 4.8071 4.8071 4.8071 4.8071 9.3259 9.3259 9.3259 9.3259 9.9213 9.9213 9.9213 9.9213 k =-0.2632 0.2560 0.2476 ( 1772 PWs) bands (ev): -14.2792 -14.2792 -14.2792 -14.2792 -12.7831 -12.7831 -12.7831 -12.7831 -2.7699 -2.7699 -2.7699 -2.7699 -0.8881 -0.8881 -0.8881 -0.8881 0.3091 0.3091 0.3091 0.3091 2.1680 2.1680 2.1680 2.1680 4.6578 4.6578 4.6578 4.6578 4.7714 4.7714 4.7714 4.7714 9.3585 9.3585 9.3585 9.3585 9.9959 9.9959 9.9959 9.9959 k =-0.2697 0.2624 0.2476 ( 1782 PWs) bands (ev): -14.2351 -14.2351 -14.2351 -14.2351 -12.7940 -12.7940 -12.7940 -12.7940 -2.8134 -2.8134 -2.8134 -2.8134 -0.8914 -0.8914 -0.8914 -0.8914 0.2386 0.2386 0.2386 0.2386 2.1631 2.1631 2.1631 2.1631 4.6403 4.6403 4.6403 4.6403 4.7331 4.7331 4.7331 4.7331 9.3914 9.3914 9.3914 9.3914 10.0689 10.0689 10.0689 10.0689 k =-0.2763 0.2688 0.2476 ( 1778 PWs) bands (ev): -14.1907 -14.1907 -14.1907 -14.1907 -12.8048 -12.8048 -12.8048 -12.8048 -2.8585 -2.8585 -2.8585 -2.8585 -0.8906 -0.8906 -0.8906 -0.8906 0.1697 0.1697 0.1697 0.1697 2.1564 2.1564 2.1564 2.1564 4.6228 4.6228 4.6228 4.6228 4.6926 4.6926 4.6926 4.6926 9.4243 9.4243 9.4243 9.4243 10.1401 10.1401 10.1401 10.1401 k =-0.2829 0.2752 0.2476 ( 1778 PWs) bands (ev): -14.1461 -14.1461 -14.1461 -14.1461 -12.8157 -12.8157 -12.8157 -12.8157 -2.9051 -2.9051 -2.9051 -2.9051 -0.8858 -0.8858 -0.8858 -0.8858 0.1024 0.1024 0.1024 0.1024 2.1479 2.1479 2.1479 2.1479 4.6048 4.6048 4.6048 4.6048 4.6501 4.6501 4.6501 4.6501 9.4573 9.4573 9.4573 9.4573 10.2095 10.2095 10.2095 10.2095 k =-0.2895 0.2816 0.2476 ( 1778 PWs) bands (ev): -14.1015 -14.1015 -14.1015 -14.1015 -12.8264 -12.8264 -12.8264 -12.8264 -2.9531 -2.9531 -2.9531 -2.9531 -0.8771 -0.8771 -0.8771 -0.8771 0.0368 0.0368 0.0368 0.0368 2.1377 2.1377 2.1377 2.1377 4.5847 4.5847 4.5847 4.5847 4.6076 4.6076 4.6076 4.6076 9.4902 9.4902 9.4902 9.4902 10.2770 10.2770 10.2770 10.2770 k =-0.2961 0.2880 0.2476 ( 1778 PWs) bands (ev): -14.0568 -14.0568 -14.0568 -14.0568 -12.8372 -12.8372 -12.8372 -12.8372 -3.0021 -3.0021 -3.0021 -3.0021 -0.8646 -0.8646 -0.8646 -0.8646 -0.0271 -0.0271 -0.0271 -0.0271 2.1260 2.1260 2.1260 2.1260 4.5505 4.5505 4.5505 4.5505 4.5772 4.5772 4.5772 4.5772 9.5230 9.5230 9.5230 9.5230 10.3426 10.3426 10.3426 10.3426 k =-0.3026 0.2944 0.2476 ( 1790 PWs) bands (ev): -14.0122 -14.0122 -14.0122 -14.0122 -12.8478 -12.8478 -12.8478 -12.8478 -3.0522 -3.0522 -3.0522 -3.0522 -0.8485 -0.8485 -0.8485 -0.8485 -0.0893 -0.0893 -0.0893 -0.0893 2.1129 2.1129 2.1129 2.1129 4.5030 4.5030 4.5030 4.5030 4.5581 4.5581 4.5581 4.5581 9.5555 9.5555 9.5555 9.5555 10.4063 10.4063 10.4063 10.4063 k =-0.3092 0.3008 0.2476 ( 1786 PWs) bands (ev): -13.9677 -13.9677 -13.9677 -13.9677 -12.8584 -12.8584 -12.8584 -12.8584 -3.1029 -3.1029 -3.1029 -3.1029 -0.8290 -0.8290 -0.8290 -0.8290 -0.1496 -0.1496 -0.1496 -0.1496 2.0984 2.0984 2.0984 2.0984 4.4518 4.4518 4.4518 4.4518 4.5410 4.5410 4.5410 4.5410 9.5879 9.5879 9.5879 9.5879 10.4680 10.4680 10.4680 10.4680 k =-0.3158 0.3072 0.2476 ( 1786 PWs) bands (ev): -13.9235 -13.9235 -13.9235 -13.9235 -12.8688 -12.8688 -12.8688 -12.8688 -3.1542 -3.1542 -3.1542 -3.1542 -0.8062 -0.8062 -0.8062 -0.8062 -0.2081 -0.2081 -0.2081 -0.2081 2.0829 2.0829 2.0829 2.0829 4.3983 4.3983 4.3983 4.3983 4.5244 4.5244 4.5244 4.5244 9.6199 9.6199 9.6199 9.6199 10.5269 10.5269 10.5269 10.5270 k =-0.3224 0.3136 0.2476 ( 1786 PWs) bands (ev): -13.8795 -13.8795 -13.8795 -13.8795 -12.8791 -12.8791 -12.8791 -12.8791 -3.2058 -3.2058 -3.2058 -3.2058 -0.7805 -0.7805 -0.7805 -0.7805 -0.2648 -0.2648 -0.2648 -0.2648 2.0663 2.0663 2.0663 2.0663 4.3427 4.3427 4.3427 4.3427 4.5083 4.5083 4.5083 4.5083 9.6517 9.6517 9.6517 9.6517 10.5556 10.5556 10.5556 10.5556 k =-0.3289 0.3200 0.2476 ( 1794 PWs) bands (ev): -13.8360 -13.8360 -13.8360 -13.8360 -12.8892 -12.8892 -12.8892 -12.8892 -3.2576 -3.2576 -3.2576 -3.2576 -0.7519 -0.7519 -0.7519 -0.7519 -0.3197 -0.3197 -0.3197 -0.3197 2.0490 2.0490 2.0490 2.0490 4.2853 4.2853 4.2853 4.2853 4.4926 4.4926 4.4926 4.4926 9.6830 9.6830 9.6830 9.6830 10.5688 10.5688 10.5688 10.5688 k =-0.3355 0.3264 0.2476 ( 1794 PWs) bands (ev): -13.7929 -13.7929 -13.7929 -13.7929 -12.8991 -12.8991 -12.8991 -12.8991 -3.3092 -3.3092 -3.3092 -3.3092 -0.7208 -0.7208 -0.7208 -0.7208 -0.3726 -0.3726 -0.3726 -0.3726 2.0312 2.0312 2.0312 2.0312 4.2261 4.2261 4.2261 4.2261 4.4772 4.4772 4.4772 4.4772 9.7140 9.7140 9.7140 9.7140 10.5817 10.5817 10.5817 10.5817 k =-0.3421 0.3328 0.2476 ( 1792 PWs) bands (ev): -13.7505 -13.7505 -13.7505 -13.7505 -12.9087 -12.9087 -12.9087 -12.9087 -3.3606 -3.3606 -3.3606 -3.3606 -0.6874 -0.6874 -0.6874 -0.6874 -0.4236 -0.4236 -0.4236 -0.4236 2.0130 2.0130 2.0130 2.0130 4.1653 4.1653 4.1653 4.1653 4.4623 4.4623 4.4623 4.4623 9.7445 9.7445 9.7445 9.7445 10.5945 10.5945 10.5945 10.5945 k =-0.3487 0.3392 0.2476 ( 1796 PWs) bands (ev): -13.7087 -13.7087 -13.7087 -13.7087 -12.9182 -12.9182 -12.9182 -12.9182 -3.4114 -3.4114 -3.4114 -3.4114 -0.6519 -0.6519 -0.6519 -0.6519 -0.4727 -0.4727 -0.4727 -0.4727 1.9947 1.9947 1.9947 1.9947 4.1030 4.1030 4.1030 4.1030 4.4477 4.4477 4.4477 4.4477 9.7745 9.7745 9.7745 9.7745 10.6072 10.6072 10.6072 10.6072 k =-0.3553 0.3456 0.2476 ( 1796 PWs) bands (ev): -13.6677 -13.6677 -13.6677 -13.6677 -12.9274 -12.9274 -12.9274 -12.9274 -3.4616 -3.4616 -3.4616 -3.4616 -0.6146 -0.6146 -0.6146 -0.6146 -0.5197 -0.5197 -0.5197 -0.5197 1.9764 1.9764 1.9764 1.9764 4.0394 4.0394 4.0394 4.0394 4.4335 4.4335 4.4335 4.4335 9.8040 9.8040 9.8040 9.8040 10.6198 10.6198 10.6198 10.6198 k =-0.3618 0.3520 0.2476 ( 1800 PWs) bands (ev): -13.6276 -13.6276 -13.6276 -13.6276 -12.9363 -12.9363 -12.9363 -12.9363 -3.5110 -3.5110 -3.5110 -3.5110 -0.5776 -0.5776 -0.5776 -0.5776 -0.5629 -0.5629 -0.5629 -0.5629 1.9585 1.9585 1.9585 1.9585 3.9745 3.9745 3.9745 3.9745 4.4199 4.4199 4.4199 4.4199 9.8328 9.8328 9.8328 9.8328 10.6321 10.6321 10.6321 10.6321 k =-0.3684 0.3584 0.2476 ( 1808 PWs) bands (ev): -13.5885 -13.5885 -13.5885 -13.5885 -12.9449 -12.9449 -12.9449 -12.9449 -3.5593 -3.5593 -3.5593 -3.5593 -0.6088 -0.6088 -0.6088 -0.6088 -0.5345 -0.5345 -0.5345 -0.5345 1.9410 1.9410 1.9410 1.9410 3.9086 3.9086 3.9086 3.9086 4.4066 4.4066 4.4066 4.4066 9.8610 9.8610 9.8610 9.8610 10.6443 10.6443 10.6443 10.6443 k =-0.3750 0.3648 0.2476 ( 1816 PWs) bands (ev): -13.5505 -13.5505 -13.5505 -13.5505 -12.9532 -12.9532 -12.9532 -12.9532 -3.6064 -3.6064 -3.6064 -3.6064 -0.6497 -0.6497 -0.6497 -0.6497 -0.4933 -0.4933 -0.4933 -0.4933 1.9243 1.9243 1.9243 1.9243 3.8418 3.8418 3.8418 3.8418 4.3939 4.3939 4.3939 4.3939 9.8884 9.8884 9.8884 9.8884 10.6562 10.6562 10.6562 10.6562 k =-0.3816 0.3712 0.2476 ( 1812 PWs) bands (ev): -13.5137 -13.5137 -13.5137 -13.5137 -12.9612 -12.9612 -12.9612 -12.9612 -3.6522 -3.6522 -3.6522 -3.6522 -0.6888 -0.6888 -0.6888 -0.6888 -0.4512 -0.4512 -0.4512 -0.4512 1.9086 1.9086 1.9086 1.9086 3.7744 3.7744 3.7744 3.7744 4.3817 4.3817 4.3817 4.3817 9.9150 9.9150 9.9150 9.9150 10.6680 10.6680 10.6680 10.6680 k =-0.3882 0.3776 0.2476 ( 1822 PWs) bands (ev): -13.4782 -13.4782 -13.4782 -13.4782 -12.9687 -12.9687 -12.9687 -12.9687 -3.6965 -3.6965 -3.6965 -3.6965 -0.7259 -0.7259 -0.7259 -0.7259 -0.4086 -0.4086 -0.4086 -0.4086 1.8939 1.8939 1.8939 1.8939 3.7065 3.7065 3.7065 3.7065 4.3700 4.3700 4.3700 4.3700 9.9407 9.9407 9.9407 9.9407 10.6793 10.6793 10.6793 10.6793 k =-0.3947 0.3840 0.2476 ( 1822 PWs) bands (ev): -13.4441 -13.4441 -13.4441 -13.4441 -12.9759 -12.9759 -12.9759 -12.9759 -3.7391 -3.7391 -3.7391 -3.7391 -0.7610 -0.7610 -0.7610 -0.7610 -0.3657 -0.3657 -0.3657 -0.3657 1.8807 1.8807 1.8807 1.8807 3.6385 3.6385 3.6385 3.6385 4.3589 4.3589 4.3589 4.3589 9.9654 9.9654 9.9654 9.9654 10.6904 10.6904 10.6904 10.6904 k =-0.4013 0.3904 0.2476 ( 1822 PWs) bands (ev): -13.4115 -13.4115 -13.4115 -13.4115 -12.9827 -12.9827 -12.9827 -12.9827 -3.7799 -3.7799 -3.7799 -3.7799 -0.7940 -0.7940 -0.7940 -0.7940 -0.3230 -0.3230 -0.3230 -0.3230 1.8689 1.8689 1.8689 1.8689 3.5706 3.5706 3.5706 3.5706 4.3484 4.3484 4.3484 4.3484 9.9890 9.9890 9.9890 9.9890 10.7011 10.7011 10.7011 10.7011 k =-0.4079 0.3968 0.2476 ( 1818 PWs) bands (ev): -13.3805 -13.3805 -13.3805 -13.3805 -12.9891 -12.9891 -12.9891 -12.9891 -3.8188 -3.8188 -3.8188 -3.8188 -0.8249 -0.8249 -0.8249 -0.8249 -0.2808 -0.2808 -0.2808 -0.2808 1.8589 1.8589 1.8589 1.8589 3.5031 3.5031 3.5031 3.5031 4.3384 4.3384 4.3384 4.3384 10.0115 10.0115 10.0115 10.0115 10.7115 10.7115 10.7115 10.7115 k =-0.4145 0.4032 0.2476 ( 1820 PWs) bands (ev): -13.3512 -13.3512 -13.3512 -13.3512 -12.9950 -12.9950 -12.9950 -12.9950 -3.8556 -3.8556 -3.8556 -3.8556 -0.8537 -0.8537 -0.8537 -0.8537 -0.2393 -0.2393 -0.2393 -0.2393 1.8506 1.8506 1.8506 1.8506 3.4364 3.4364 3.4364 3.4364 4.3291 4.3291 4.3291 4.3291 10.0328 10.0328 10.0328 10.0328 10.7213 10.7213 10.7213 10.7213 k =-0.4211 0.4096 0.2476 ( 1820 PWs) bands (ev): -13.3238 -13.3238 -13.3238 -13.3238 -13.0005 -13.0005 -13.0005 -13.0005 -3.8902 -3.8902 -3.8902 -3.8902 -0.8804 -0.8804 -0.8804 -0.8804 -0.1991 -0.1991 -0.1991 -0.1991 1.8442 1.8442 1.8442 1.8442 3.3708 3.3708 3.3708 3.3708 4.3204 4.3204 4.3204 4.3204 10.0528 10.0528 10.0528 10.0528 10.7307 10.7307 10.7307 10.7307 k =-0.4276 0.4160 0.2476 ( 1816 PWs) bands (ev): -13.2982 -13.2982 -13.2982 -13.2982 -13.0055 -13.0055 -13.0055 -13.0055 -3.9225 -3.9225 -3.9225 -3.9225 -0.9051 -0.9051 -0.9051 -0.9051 -0.1603 -0.1603 -0.1603 -0.1603 1.8398 1.8398 1.8398 1.8398 3.3068 3.3068 3.3068 3.3068 4.3123 4.3123 4.3123 4.3123 10.0715 10.0715 10.0715 10.0715 10.7397 10.7397 10.7397 10.7397 k =-0.4342 0.4224 0.2476 ( 1812 PWs) bands (ev): -13.2747 -13.2747 -13.2747 -13.2747 -13.0099 -13.0099 -13.0099 -13.0099 -3.9524 -3.9524 -3.9524 -3.9524 -0.9276 -0.9276 -0.9276 -0.9276 -0.1235 -0.1235 -0.1235 -0.1235 1.8374 1.8374 1.8374 1.8374 3.2449 3.2449 3.2449 3.2449 4.3049 4.3049 4.3049 4.3049 10.0887 10.0887 10.0887 10.0887 10.7480 10.7480 10.7480 10.7480 k =-0.4408 0.4288 0.2476 ( 1808 PWs) bands (ev): -13.2533 -13.2533 -13.2533 -13.2533 -13.0139 -13.0139 -13.0139 -13.0139 -3.9798 -3.9798 -3.9798 -3.9798 -0.9480 -0.9480 -0.9480 -0.9480 -0.0888 -0.0888 -0.0888 -0.0888 1.8369 1.8369 1.8369 1.8369 3.1856 3.1856 3.1856 3.1856 4.2982 4.2982 4.2982 4.2982 10.1044 10.1044 10.1044 10.1044 10.7558 10.7558 10.7558 10.7558 k =-0.4474 0.4352 0.2476 ( 1804 PWs) bands (ev): -13.2340 -13.2340 -13.2340 -13.2340 -13.0173 -13.0173 -13.0173 -13.0173 -4.0045 -4.0045 -4.0045 -4.0045 -0.9663 -0.9663 -0.9663 -0.9663 -0.0568 -0.0568 -0.0568 -0.0568 1.8381 1.8381 1.8381 1.8381 3.1294 3.1294 3.1294 3.1294 4.2921 4.2921 4.2921 4.2921 10.1186 10.1186 10.1186 10.1186 10.7628 10.7628 10.7628 10.7628 k =-0.4539 0.4416 0.2476 ( 1808 PWs) bands (ev): -13.2170 -13.2170 -13.2170 -13.2170 -13.0202 -13.0202 -13.0202 -13.0202 -4.0266 -4.0266 -4.0266 -4.0266 -0.9824 -0.9824 -0.9824 -0.9824 -0.0276 -0.0276 -0.0276 -0.0276 1.8408 1.8408 1.8408 1.8408 3.0771 3.0771 3.0771 3.0771 4.2868 4.2868 4.2868 4.2868 10.1311 10.1311 10.1311 10.1311 10.7691 10.7691 10.7691 10.7691 k =-0.4605 0.4480 0.2476 ( 1804 PWs) bands (ev): -13.2022 -13.2022 -13.2022 -13.2022 -13.0226 -13.0226 -13.0226 -13.0226 -4.0459 -4.0459 -4.0459 -4.0459 -0.9964 -0.9964 -0.9964 -0.9964 -0.0017 -0.0017 -0.0017 -0.0017 1.8447 1.8447 1.8447 1.8447 3.0294 3.0294 3.0294 3.0294 4.2821 4.2821 4.2821 4.2821 10.1421 10.1421 10.1421 10.1421 10.7748 10.7748 10.7748 10.7748 k =-0.4671 0.4544 0.2476 ( 1804 PWs) bands (ev): -13.1898 -13.1898 -13.1898 -13.1898 -13.0245 -13.0245 -13.0245 -13.0245 -4.0623 -4.0623 -4.0623 -4.0623 -1.0082 -1.0082 -1.0082 -1.0082 0.0207 0.0207 0.0207 0.0207 1.8494 1.8494 1.8494 1.8494 2.9871 2.9871 2.9871 2.9871 4.2781 4.2781 4.2781 4.2781 10.1515 10.1515 10.1515 10.1515 10.7797 10.7797 10.7797 10.7797 k =-0.4737 0.4608 0.2476 ( 1808 PWs) bands (ev): -13.1797 -13.1797 -13.1797 -13.1797 -13.0259 -13.0259 -13.0259 -13.0259 -4.0758 -4.0758 -4.0758 -4.0758 -1.0179 -1.0179 -1.0179 -1.0179 0.0394 0.0394 0.0394 0.0394 1.8543 1.8543 1.8543 1.8543 2.9509 2.9509 2.9509 2.9509 4.2749 4.2749 4.2749 4.2749 10.1591 10.1591 10.1591 10.1591 10.7837 10.7837 10.7837 10.7837 k =-0.4803 0.4672 0.2476 ( 1800 PWs) bands (ev): -13.1719 -13.1719 -13.1719 -13.1719 -13.0269 -13.0269 -13.0269 -13.0269 -4.0864 -4.0864 -4.0864 -4.0864 -1.0255 -1.0255 -1.0255 -1.0255 0.0542 0.0542 0.0542 0.0542 1.8590 1.8590 1.8590 1.8590 2.9217 2.9217 2.9217 2.9217 4.2723 4.2723 4.2723 4.2723 10.1651 10.1651 10.1651 10.1651 10.7869 10.7869 10.7869 10.7869 k =-0.4868 0.4736 0.2476 ( 1800 PWs) bands (ev): -13.1663 -13.1663 -13.1663 -13.1663 -13.0276 -13.0276 -13.0276 -13.0276 -4.0940 -4.0940 -4.0940 -4.0940 -1.0309 -1.0309 -1.0309 -1.0309 0.0648 0.0648 0.0648 0.0648 1.8628 1.8628 1.8628 1.8628 2.9002 2.9002 2.9002 2.9002 4.2705 4.2705 4.2705 4.2705 10.1694 10.1694 10.1694 10.1694 10.7892 10.7892 10.7892 10.7892 k =-0.4934 0.4800 0.2476 ( 1804 PWs) bands (ev): -13.1630 -13.1630 -13.1630 -13.1630 -13.0280 -13.0280 -13.0280 -13.0280 -4.0985 -4.0985 -4.0985 -4.0985 -1.0341 -1.0341 -1.0341 -1.0341 0.0713 0.0713 0.0713 0.0713 1.8652 1.8652 1.8652 1.8652 2.8870 2.8870 2.8870 2.8870 4.2694 4.2694 4.2694 4.2694 10.1719 10.1719 10.1719 10.1719 10.7905 10.7905 10.7905 10.7905 k =-0.5000 0.4864 0.2476 ( 1804 PWs) bands (ev): -13.1619 -13.1619 -13.1619 -13.1619 -13.0281 -13.0281 -13.0281 -13.0281 -4.1000 -4.1000 -4.1000 -4.1000 -1.0352 -1.0352 -1.0352 -1.0352 0.0734 0.0734 0.0734 0.0734 1.8661 1.8661 1.8661 1.8661 2.8826 2.8826 2.8826 2.8826 4.2691 4.2691 4.2691 4.2691 10.1728 10.1728 10.1728 10.1728 10.7910 10.7910 10.7910 10.7910 Writing output data file CO2.save init_run : 0.06s CPU 0.19s WALL ( 1 calls) electrons : 113.88s CPU 117.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 113.86s CPU 117.90s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 536 calls) cegterg : 106.69s CPU 108.96s WALL ( 649 calls) Called by sum_band: Called by *egterg: h_psi : 45.54s CPU 47.05s WALL ( 11185 calls) s_psi : 1.56s CPU 1.55s WALL ( 11185 calls) g_psi : 0.13s CPU 0.14s WALL ( 10000 calls) cdiaghg : 54.93s CPU 55.82s WALL ( 10536 calls) cegterg:over : 3.82s CPU 4.00s WALL ( 10000 calls) cegterg:upda : 2.55s CPU 2.59s WALL ( 10000 calls) cegterg:last : 1.69s CPU 1.69s WALL ( 1989 calls) cdiaghg:chol : 2.75s CPU 2.76s WALL ( 10536 calls) cdiaghg:inve : 1.59s CPU 1.71s WALL ( 10536 calls) cdiaghg:para : 2.92s CPU 3.16s WALL ( 21072 calls) Called by h_psi: h_psi:vloc : 40.75s CPU 42.08s WALL ( 11185 calls) h_psi:vnl : 4.69s CPU 4.89s WALL ( 11185 calls) add_vuspsi : 1.86s CPU 1.96s WALL ( 11185 calls) General routines calbec : 2.82s CPU 2.90s WALL ( 11185 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 38.38s CPU 39.64s WALL ( 1019128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.16s WALL ( 1072 calls) Parallel routines fft_scatter : 18.94s CPU 20.15s WALL ( 1019151 calls) PWSCF : 2m 7.22s CPU 2m41.30s WALL This run was terminated on: 17:13:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=