Program PWSCF v.5.4.0 starts on 22Mar2017 at 5:11: 5 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CuI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 11 3 402 269 43 Max 15 12 4 405 285 50 Sum 1039 805 239 29017 19873 3335 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 7.4430 a.u. unit-cell volume = 471.4923 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.443037 celldm(2)= 1.000000 celldm(3)= 1.153557 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.131969 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.131969 0.991254 0.000000 ) a(3) = ( 0.000000 0.000000 1.153557 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.133134 -0.000000 ) b(2) = ( 0.000000 1.008823 -0.000000 ) b(3) = ( 0.000000 0.000000 0.866884 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 456 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0081798 0.0093410 -0.0000000), wk = 0.0021930 k( 3) = ( 0.0163596 0.0186819 -0.0000000), wk = 0.0021930 k( 4) = ( 0.0245393 0.0280229 -0.0000000), wk = 0.0021930 k( 5) = ( 0.0327191 0.0373638 -0.0000000), wk = 0.0021930 k( 6) = ( 0.0408989 0.0467048 -0.0000000), wk = 0.0021930 k( 7) = ( 0.0490787 0.0560457 -0.0000000), wk = 0.0021930 k( 8) = ( 0.0572585 0.0653867 -0.0000000), wk = 0.0021930 k( 9) = ( 0.0654382 0.0747277 -0.0000000), wk = 0.0021930 k( 10) = ( 0.0736180 0.0840686 -0.0000000), wk = 0.0021930 k( 11) = ( 0.0817978 0.0934096 -0.0000000), wk = 0.0021930 k( 12) = ( 0.0899776 0.1027505 -0.0000000), wk = 0.0021930 k( 13) = ( 0.0981574 0.1120915 -0.0000000), wk = 0.0021930 k( 14) = ( 0.1063371 0.1214324 -0.0000000), wk = 0.0021930 k( 15) = ( 0.1145169 0.1307734 -0.0000000), wk = 0.0021930 k( 16) = ( 0.1226967 0.1401144 -0.0000000), wk = 0.0021930 k( 17) = ( 0.1308765 0.1494553 -0.0000000), wk = 0.0021930 k( 18) = ( 0.1390563 0.1587963 -0.0000000), wk = 0.0021930 k( 19) = ( 0.1472360 0.1681372 -0.0000000), wk = 0.0021930 k( 20) = ( 0.1554158 0.1774782 -0.0000000), wk = 0.0021930 k( 21) = ( 0.1635956 0.1868191 -0.0000000), wk = 0.0021930 k( 22) = ( 0.1717754 0.1961601 -0.0000000), wk = 0.0021930 k( 23) = ( 0.1799552 0.2055011 -0.0000000), wk = 0.0021930 k( 24) = ( 0.1881349 0.2148420 -0.0000000), wk = 0.0021930 k( 25) = ( 0.1963147 0.2241830 -0.0000000), wk = 0.0021930 k( 26) = ( 0.2044945 0.2335239 -0.0000000), wk = 0.0021930 k( 27) = ( 0.2126743 0.2428649 -0.0000000), wk = 0.0021930 k( 28) = ( 0.2208541 0.2522058 -0.0000000), wk = 0.0021930 k( 29) = ( 0.2290338 0.2615468 -0.0000000), wk = 0.0021930 k( 30) = ( 0.2372136 0.2708878 -0.0000000), wk = 0.0021930 k( 31) = ( 0.2453934 0.2802287 -0.0000000), wk = 0.0021930 k( 32) = ( 0.2535732 0.2895697 -0.0000000), wk = 0.0021930 k( 33) = ( 0.2617530 0.2989106 -0.0000000), wk = 0.0021930 k( 34) = ( 0.2699327 0.3082516 -0.0000000), wk = 0.0021930 k( 35) = ( 0.2781125 0.3175925 -0.0000000), wk = 0.0021930 k( 36) = ( 0.2862923 0.3269335 -0.0000000), wk = 0.0021930 k( 37) = ( 0.2944721 0.3362745 -0.0000000), wk = 0.0021930 k( 38) = ( 0.3026519 0.3456154 -0.0000000), wk = 0.0021930 k( 39) = ( 0.3108316 0.3549564 -0.0000000), wk = 0.0021930 k( 40) = ( 0.3190114 0.3642973 -0.0000000), wk = 0.0021930 k( 41) = ( 0.3271912 0.3736383 -0.0000000), wk = 0.0021930 k( 42) = ( 0.3353710 0.3829792 -0.0000000), wk = 0.0021930 k( 43) = ( 0.3435508 0.3923202 -0.0000000), wk = 0.0021930 k( 44) = ( 0.3517305 0.4016611 -0.0000000), wk = 0.0021930 k( 45) = ( 0.3599103 0.4110021 -0.0000000), wk = 0.0021930 k( 46) = ( 0.3680901 0.4203431 -0.0000000), wk = 0.0021930 k( 47) = ( 0.3762699 0.4296840 -0.0000000), wk = 0.0021930 k( 48) = ( 0.3844497 0.4390250 -0.0000000), wk = 0.0021930 k( 49) = ( 0.3926294 0.4483659 -0.0000000), wk = 0.0021930 k( 50) = ( 0.4008092 0.4577069 -0.0000000), wk = 0.0021930 k( 51) = ( 0.4089890 0.4670478 -0.0000000), wk = 0.0021930 k( 52) = ( 0.4171688 0.4763888 -0.0000000), wk = 0.0021930 k( 53) = ( 0.4253486 0.4857298 -0.0000000), wk = 0.0021930 k( 54) = ( 0.4335283 0.4950707 -0.0000000), wk = 0.0021930 k( 55) = ( 0.4417081 0.5044117 -0.0000000), wk = 0.0021930 k( 56) = ( 0.4417081 0.5044117 -0.0000000), wk = 0.0021930 k( 57) = ( 0.4294385 0.5044117 -0.0000000), wk = 0.0021930 k( 58) = ( 0.4171688 0.5044117 -0.0000000), wk = 0.0021930 k( 59) = ( 0.4048991 0.5044117 -0.0000000), wk = 0.0021930 k( 60) = ( 0.3926294 0.5044117 -0.0000000), wk = 0.0021930 k( 61) = ( 0.3803598 0.5044117 -0.0000000), wk = 0.0021930 k( 62) = ( 0.3680901 0.5044117 -0.0000000), wk = 0.0021930 k( 63) = ( 0.3558204 0.5044117 -0.0000000), wk = 0.0021930 k( 64) = ( 0.3435508 0.5044117 -0.0000000), wk = 0.0021930 k( 65) = ( 0.3312811 0.5044117 -0.0000000), wk = 0.0021930 k( 66) = ( 0.3190114 0.5044117 -0.0000000), wk = 0.0021930 k( 67) = ( 0.3067417 0.5044117 -0.0000000), wk = 0.0021930 k( 68) = ( 0.2944721 0.5044117 -0.0000000), wk = 0.0021930 k( 69) = ( 0.2822024 0.5044117 -0.0000000), wk = 0.0021930 k( 70) = ( 0.2699327 0.5044117 -0.0000000), wk = 0.0021930 k( 71) = ( 0.2576631 0.5044117 -0.0000000), wk = 0.0021930 k( 72) = ( 0.2453934 0.5044117 -0.0000000), wk = 0.0021930 k( 73) = ( 0.2331237 0.5044117 -0.0000000), wk = 0.0021930 k( 74) = ( 0.2208541 0.5044117 -0.0000000), wk = 0.0021930 k( 75) = ( 0.2085844 0.5044117 -0.0000000), wk = 0.0021930 k( 76) = ( 0.1963147 0.5044117 -0.0000000), wk = 0.0021930 k( 77) = ( 0.1840450 0.5044117 -0.0000000), wk = 0.0021930 k( 78) = ( 0.1717754 0.5044117 -0.0000000), wk = 0.0021930 k( 79) = ( 0.1595057 0.5044117 -0.0000000), wk = 0.0021930 k( 80) = ( 0.1472360 0.5044117 -0.0000000), wk = 0.0021930 k( 81) = ( 0.1349664 0.5044117 -0.0000000), wk = 0.0021930 k( 82) = ( 0.1226967 0.5044117 -0.0000000), wk = 0.0021930 k( 83) = ( 0.1104270 0.5044117 -0.0000000), wk = 0.0021930 k( 84) = ( 0.0981574 0.5044117 -0.0000000), wk = 0.0021930 k( 85) = ( 0.0858877 0.5044117 -0.0000000), wk = 0.0021930 k( 86) = ( 0.0736180 0.5044117 -0.0000000), wk = 0.0021930 k( 87) = ( 0.0613484 0.5044117 -0.0000000), wk = 0.0021930 k( 88) = ( 0.0490787 0.5044117 -0.0000000), wk = 0.0021930 k( 89) = ( 0.0368090 0.5044117 -0.0000000), wk = 0.0021930 k( 90) = ( 0.0245393 0.5044117 -0.0000000), wk = 0.0021930 k( 91) = ( 0.0122697 0.5044117 -0.0000000), wk = 0.0021930 k( 92) = ( 0.0000000 0.5044117 -0.0000000), wk = 0.0021930 k( 93) = ( 0.0000000 0.5044117 -0.0000000), wk = 0.0021930 k( 94) = ( 0.0000000 0.5044117 0.0123840), wk = 0.0021930 k( 95) = ( 0.0000000 0.5044117 0.0247681), wk = 0.0021930 k( 96) = ( 0.0000000 0.5044117 0.0371522), wk = 0.0021930 k( 97) = ( 0.0000000 0.5044117 0.0495362), wk = 0.0021930 k( 98) = ( 0.0000000 0.5044117 0.0619203), wk = 0.0021930 k( 99) = ( 0.0000000 0.5044117 0.0743043), wk = 0.0021930 k( 100) = ( 0.0000000 0.5044117 0.0866884), wk = 0.0021930 k( 101) = ( 0.0000000 0.5044117 0.0990724), wk = 0.0021930 k( 102) = ( 0.0000000 0.5044117 0.1114565), wk = 0.0021930 k( 103) = ( 0.0000000 0.5044117 0.1238405), wk = 0.0021930 k( 104) = ( 0.0000000 0.5044117 0.1362246), wk = 0.0021930 k( 105) = ( 0.0000000 0.5044117 0.1486086), wk = 0.0021930 k( 106) = ( 0.0000000 0.5044117 0.1609927), wk = 0.0021930 k( 107) = ( 0.0000000 0.5044117 0.1733767), wk = 0.0021930 k( 108) = ( 0.0000000 0.5044117 0.1857608), wk = 0.0021930 k( 109) = ( 0.0000000 0.5044117 0.1981448), wk = 0.0021930 k( 110) = ( 0.0000000 0.5044117 0.2105289), wk = 0.0021930 k( 111) = ( 0.0000000 0.5044117 0.2229129), wk = 0.0021930 k( 112) = ( 0.0000000 0.5044117 0.2352970), wk = 0.0021930 k( 113) = ( 0.0000000 0.5044117 0.2476810), wk = 0.0021930 k( 114) = ( 0.0000000 0.5044117 0.2600651), wk = 0.0021930 k( 115) = ( 0.0000000 0.5044117 0.2724491), wk = 0.0021930 k( 116) = ( 0.0000000 0.5044117 0.2848332), wk = 0.0021930 k( 117) = ( 0.0000000 0.5044117 0.2972172), wk = 0.0021930 k( 118) = ( 0.0000000 0.5044117 0.3096013), wk = 0.0021930 k( 119) = ( 0.0000000 0.5044117 0.3219853), wk = 0.0021930 k( 120) = ( 0.0000000 0.5044117 0.3343694), wk = 0.0021930 k( 121) = ( 0.0000000 0.5044117 0.3467534), wk = 0.0021930 k( 122) = ( 0.0000000 0.5044117 0.3591375), wk = 0.0021930 k( 123) = ( 0.0000000 0.5044117 0.3715215), wk = 0.0021930 k( 124) = ( 0.0000000 0.5044117 0.3839056), wk = 0.0021930 k( 125) = ( 0.0000000 0.5044117 0.3962897), wk = 0.0021930 k( 126) = ( 0.0000000 0.5044117 0.4086737), wk = 0.0021930 k( 127) = ( 0.0000000 0.5044117 0.4210578), wk = 0.0021930 k( 128) = ( 0.0000000 0.5044117 0.4334418), wk = 0.0021930 k( 129) = ( 0.0000000 0.5044117 0.4334418), wk = 0.0021930 k( 130) = ( 0.0122697 0.5044117 0.4334418), wk = 0.0021930 k( 131) = ( 0.0245393 0.5044117 0.4334418), wk = 0.0021930 k( 132) = ( 0.0368090 0.5044117 0.4334418), wk = 0.0021930 k( 133) = ( 0.0490787 0.5044117 0.4334418), wk = 0.0021930 k( 134) = ( 0.0613484 0.5044117 0.4334418), wk = 0.0021930 k( 135) = ( 0.0736180 0.5044117 0.4334418), wk = 0.0021930 k( 136) = ( 0.0858877 0.5044117 0.4334418), wk = 0.0021930 k( 137) = ( 0.0981574 0.5044117 0.4334418), wk = 0.0021930 k( 138) = ( 0.1104270 0.5044117 0.4334418), wk = 0.0021930 k( 139) = ( 0.1226967 0.5044117 0.4334418), wk = 0.0021930 k( 140) = ( 0.1349664 0.5044117 0.4334418), wk = 0.0021930 k( 141) = ( 0.1472360 0.5044117 0.4334418), wk = 0.0021930 k( 142) = ( 0.1595057 0.5044117 0.4334418), wk = 0.0021930 k( 143) = ( 0.1717754 0.5044117 0.4334418), wk = 0.0021930 k( 144) = ( 0.1840450 0.5044117 0.4334418), wk = 0.0021930 k( 145) = ( 0.1963147 0.5044117 0.4334418), wk = 0.0021930 k( 146) = ( 0.2085844 0.5044117 0.4334418), wk = 0.0021930 k( 147) = ( 0.2208541 0.5044117 0.4334418), wk = 0.0021930 k( 148) = ( 0.2331237 0.5044117 0.4334418), wk = 0.0021930 k( 149) = ( 0.2453934 0.5044117 0.4334418), wk = 0.0021930 k( 150) = ( 0.2576631 0.5044117 0.4334418), wk = 0.0021930 k( 151) = ( 0.2699327 0.5044117 0.4334418), wk = 0.0021930 k( 152) = ( 0.2822024 0.5044117 0.4334418), wk = 0.0021930 k( 153) = ( 0.2944721 0.5044117 0.4334418), wk = 0.0021930 k( 154) = ( 0.3067417 0.5044117 0.4334418), wk = 0.0021930 k( 155) = ( 0.3190114 0.5044117 0.4334418), wk = 0.0021930 k( 156) = ( 0.3312811 0.5044117 0.4334418), wk = 0.0021930 k( 157) = ( 0.3435508 0.5044117 0.4334418), wk = 0.0021930 k( 158) = ( 0.3558204 0.5044117 0.4334418), wk = 0.0021930 k( 159) = ( 0.3680901 0.5044117 0.4334418), wk = 0.0021930 k( 160) = ( 0.3803598 0.5044117 0.4334418), wk = 0.0021930 k( 161) = ( 0.3926294 0.5044117 0.4334418), wk = 0.0021930 k( 162) = ( 0.4048991 0.5044117 0.4334418), wk = 0.0021930 k( 163) = ( 0.4171688 0.5044117 0.4334418), wk = 0.0021930 k( 164) = ( 0.4294385 0.5044117 0.4334418), wk = 0.0021930 k( 165) = ( 0.4417081 0.5044117 0.4334418), wk = 0.0021930 k( 166) = ( 0.4417081 0.5044117 0.4334418), wk = 0.0021930 k( 167) = ( 0.4335283 0.4950707 0.4334418), wk = 0.0021930 k( 168) = ( 0.4253486 0.4857298 0.4334418), wk = 0.0021930 k( 169) = ( 0.4171688 0.4763888 0.4334418), wk = 0.0021930 k( 170) = ( 0.4089890 0.4670478 0.4334418), wk = 0.0021930 k( 171) = ( 0.4008092 0.4577069 0.4334418), wk = 0.0021930 k( 172) = ( 0.3926294 0.4483659 0.4334418), wk = 0.0021930 k( 173) = ( 0.3844497 0.4390250 0.4334418), wk = 0.0021930 k( 174) = ( 0.3762699 0.4296840 0.4334418), wk = 0.0021930 k( 175) = ( 0.3680901 0.4203431 0.4334418), wk = 0.0021930 k( 176) = ( 0.3599103 0.4110021 0.4334418), wk = 0.0021930 k( 177) = ( 0.3517305 0.4016611 0.4334418), wk = 0.0021930 k( 178) = ( 0.3435508 0.3923202 0.4334418), wk = 0.0021930 k( 179) = ( 0.3353710 0.3829792 0.4334418), wk = 0.0021930 k( 180) = ( 0.3271912 0.3736383 0.4334418), wk = 0.0021930 k( 181) = ( 0.3190114 0.3642973 0.4334418), wk = 0.0021930 k( 182) = ( 0.3108316 0.3549564 0.4334418), wk = 0.0021930 k( 183) = ( 0.3026519 0.3456154 0.4334418), wk = 0.0021930 k( 184) = ( 0.2944721 0.3362745 0.4334418), wk = 0.0021930 k( 185) = ( 0.2862923 0.3269335 0.4334418), wk = 0.0021930 k( 186) = ( 0.2781125 0.3175925 0.4334418), wk = 0.0021930 k( 187) = ( 0.2699327 0.3082516 0.4334418), wk = 0.0021930 k( 188) = ( 0.2617530 0.2989106 0.4334418), wk = 0.0021930 k( 189) = ( 0.2535732 0.2895697 0.4334418), wk = 0.0021930 k( 190) = ( 0.2453934 0.2802287 0.4334418), wk = 0.0021930 k( 191) = ( 0.2372136 0.2708878 0.4334418), wk = 0.0021930 k( 192) = ( 0.2290338 0.2615468 0.4334418), wk = 0.0021930 k( 193) = ( 0.2208541 0.2522058 0.4334418), wk = 0.0021930 k( 194) = ( 0.2126743 0.2428649 0.4334418), wk = 0.0021930 k( 195) = ( 0.2044945 0.2335239 0.4334418), wk = 0.0021930 k( 196) = ( 0.1963147 0.2241830 0.4334418), wk = 0.0021930 k( 197) = ( 0.1881349 0.2148420 0.4334418), wk = 0.0021930 k( 198) = ( 0.1799552 0.2055011 0.4334418), wk = 0.0021930 k( 199) = ( 0.1717754 0.1961601 0.4334418), wk = 0.0021930 k( 200) = ( 0.1635956 0.1868191 0.4334418), wk = 0.0021930 k( 201) = ( 0.1554158 0.1774782 0.4334418), wk = 0.0021930 k( 202) = ( 0.1472360 0.1681372 0.4334418), wk = 0.0021930 k( 203) = ( 0.1390563 0.1587963 0.4334418), wk = 0.0021930 k( 204) = ( 0.1308765 0.1494553 0.4334418), wk = 0.0021930 k( 205) = ( 0.1226967 0.1401144 0.4334418), wk = 0.0021930 k( 206) = ( 0.1145169 0.1307734 0.4334418), wk = 0.0021930 k( 207) = ( 0.1063371 0.1214324 0.4334418), wk = 0.0021930 k( 208) = ( 0.0981574 0.1120915 0.4334418), wk = 0.0021930 k( 209) = ( 0.0899776 0.1027505 0.4334418), wk = 0.0021930 k( 210) = ( 0.0817978 0.0934096 0.4334418), wk = 0.0021930 k( 211) = ( 0.0736180 0.0840686 0.4334418), wk = 0.0021930 k( 212) = ( 0.0654382 0.0747277 0.4334418), wk = 0.0021930 k( 213) = ( 0.0572585 0.0653867 0.4334418), wk = 0.0021930 k( 214) = ( 0.0490787 0.0560457 0.4334418), wk = 0.0021930 k( 215) = ( 0.0408989 0.0467048 0.4334418), wk = 0.0021930 k( 216) = ( 0.0327191 0.0373638 0.4334418), wk = 0.0021930 k( 217) = ( 0.0245393 0.0280229 0.4334418), wk = 0.0021930 k( 218) = ( 0.0163596 0.0186819 0.4334418), wk = 0.0021930 k( 219) = ( 0.0081798 0.0093410 0.4334418), wk = 0.0021930 k( 220) = ( 0.0000000 0.0000000 0.4334418), wk = 0.0021930 k( 221) = ( 0.0000000 0.0000000 0.4334418), wk = 0.0021930 k( 222) = ( 0.0000000 0.0000000 0.4210578), wk = 0.0021930 k( 223) = ( 0.0000000 0.0000000 0.4086737), wk = 0.0021930 k( 224) = ( 0.0000000 0.0000000 0.3962897), wk = 0.0021930 k( 225) = ( 0.0000000 0.0000000 0.3839056), wk = 0.0021930 k( 226) = ( 0.0000000 0.0000000 0.3715215), wk = 0.0021930 k( 227) = ( 0.0000000 0.0000000 0.3591375), wk = 0.0021930 k( 228) = ( 0.0000000 0.0000000 0.3467534), wk = 0.0021930 k( 229) = ( 0.0000000 0.0000000 0.3343694), wk = 0.0021930 k( 230) = ( 0.0000000 0.0000000 0.3219853), wk = 0.0021930 k( 231) = ( 0.0000000 0.0000000 0.3096013), wk = 0.0021930 k( 232) = ( 0.0000000 0.0000000 0.2972172), wk = 0.0021930 k( 233) = ( 0.0000000 0.0000000 0.2848332), wk = 0.0021930 k( 234) = ( 0.0000000 0.0000000 0.2724491), wk = 0.0021930 k( 235) = ( 0.0000000 0.0000000 0.2600651), wk = 0.0021930 k( 236) = ( 0.0000000 0.0000000 0.2476810), wk = 0.0021930 k( 237) = ( 0.0000000 0.0000000 0.2352970), wk = 0.0021930 k( 238) = ( 0.0000000 0.0000000 0.2229129), wk = 0.0021930 k( 239) = ( 0.0000000 0.0000000 0.2105289), wk = 0.0021930 k( 240) = ( 0.0000000 0.0000000 0.1981448), wk = 0.0021930 k( 241) = ( 0.0000000 0.0000000 0.1857608), wk = 0.0021930 k( 242) = ( 0.0000000 0.0000000 0.1733767), wk = 0.0021930 k( 243) = ( 0.0000000 0.0000000 0.1609927), wk = 0.0021930 k( 244) = ( 0.0000000 0.0000000 0.1486086), wk = 0.0021930 k( 245) = ( 0.0000000 0.0000000 0.1362246), wk = 0.0021930 k( 246) = ( 0.0000000 0.0000000 0.1238405), wk = 0.0021930 k( 247) = ( 0.0000000 0.0000000 0.1114565), wk = 0.0021930 k( 248) = ( 0.0000000 0.0000000 0.0990724), wk = 0.0021930 k( 249) = ( 0.0000000 0.0000000 0.0866884), wk = 0.0021930 k( 250) = ( 0.0000000 0.0000000 0.0743043), wk = 0.0021930 k( 251) = ( 0.0000000 0.0000000 0.0619203), wk = 0.0021930 k( 252) = ( 0.0000000 0.0000000 0.0495362), wk = 0.0021930 k( 253) = ( 0.0000000 0.0000000 0.0371522), wk = 0.0021930 k( 254) = ( 0.0000000 0.0000000 0.0247681), wk = 0.0021930 k( 255) = ( 0.0000000 0.0000000 0.0123840), wk = 0.0021930 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 258) = ( -0.0092593 0.0081082 -0.0000000), wk = 0.0021930 k( 259) = ( -0.0185185 0.0162165 -0.0000000), wk = 0.0021930 k( 260) = ( -0.0277778 0.0243247 -0.0000000), wk = 0.0021930 k( 261) = ( -0.0370370 0.0324330 -0.0000000), wk = 0.0021930 k( 262) = ( -0.0462963 0.0405412 -0.0000000), wk = 0.0021930 k( 263) = ( -0.0555556 0.0486494 -0.0000000), wk = 0.0021930 k( 264) = ( -0.0648148 0.0567577 0.0000000), wk = 0.0021930 k( 265) = ( -0.0740741 0.0648659 0.0000000), wk = 0.0021930 k( 266) = ( -0.0833333 0.0729741 0.0000000), wk = 0.0021930 k( 267) = ( -0.0925926 0.0810824 0.0000000), wk = 0.0021930 k( 268) = ( -0.1018518 0.0891906 0.0000000), wk = 0.0021930 k( 269) = ( -0.1111111 0.0972989 0.0000000), wk = 0.0021930 k( 270) = ( -0.1203704 0.1054071 0.0000000), wk = 0.0021930 k( 271) = ( -0.1296296 0.1135153 0.0000000), wk = 0.0021930 k( 272) = ( -0.1388889 0.1216236 -0.0000000), wk = 0.0021930 k( 273) = ( -0.1481482 0.1297318 0.0000000), wk = 0.0021930 k( 274) = ( -0.1574074 0.1378401 -0.0000000), wk = 0.0021930 k( 275) = ( -0.1666667 0.1459483 0.0000000), wk = 0.0021930 k( 276) = ( -0.1759259 0.1540565 -0.0000000), wk = 0.0021930 k( 277) = ( -0.1851852 0.1621648 0.0000000), wk = 0.0021930 k( 278) = ( -0.1944444 0.1702730 -0.0000000), wk = 0.0021930 k( 279) = ( -0.2037037 0.1783812 0.0000000), wk = 0.0021930 k( 280) = ( -0.2129630 0.1864895 -0.0000000), wk = 0.0021930 k( 281) = ( -0.2222222 0.1945977 0.0000000), wk = 0.0021930 k( 282) = ( -0.2314815 0.2027060 -0.0000000), wk = 0.0021930 k( 283) = ( -0.2407407 0.2108142 0.0000000), wk = 0.0021930 k( 284) = ( -0.2500000 0.2189224 0.0000000), wk = 0.0021930 k( 285) = ( -0.2592593 0.2270307 0.0000000), wk = 0.0021930 k( 286) = ( -0.2685185 0.2351389 -0.0000000), wk = 0.0021930 k( 287) = ( -0.2777778 0.2432471 -0.0000000), wk = 0.0021930 k( 288) = ( -0.2870370 0.2513554 0.0000000), wk = 0.0021930 k( 289) = ( -0.2962963 0.2594636 0.0000000), wk = 0.0021930 k( 290) = ( -0.3055556 0.2675719 -0.0000000), wk = 0.0021930 k( 291) = ( -0.3148148 0.2756801 0.0000000), wk = 0.0021930 k( 292) = ( -0.3240741 0.2837883 -0.0000000), wk = 0.0021930 k( 293) = ( -0.3333333 0.2918966 -0.0000000), wk = 0.0021930 k( 294) = ( -0.3425926 0.3000048 0.0000000), wk = 0.0021930 k( 295) = ( -0.3518519 0.3081130 0.0000000), wk = 0.0021930 k( 296) = ( -0.3611111 0.3162213 -0.0000000), wk = 0.0021930 k( 297) = ( -0.3703704 0.3243295 -0.0000000), wk = 0.0021930 k( 298) = ( -0.3796296 0.3324378 0.0000000), wk = 0.0021930 k( 299) = ( -0.3888889 0.3405460 0.0000000), wk = 0.0021930 k( 300) = ( -0.3981481 0.3486542 -0.0000000), wk = 0.0021930 k( 301) = ( -0.4074074 0.3567625 -0.0000000), wk = 0.0021930 k( 302) = ( -0.4166667 0.3648707 0.0000000), wk = 0.0021930 k( 303) = ( -0.4259259 0.3729790 0.0000000), wk = 0.0021930 k( 304) = ( -0.4351852 0.3810872 -0.0000000), wk = 0.0021930 k( 305) = ( -0.4444444 0.3891954 0.0000000), wk = 0.0021930 k( 306) = ( -0.4537037 0.3973037 -0.0000000), wk = 0.0021930 k( 307) = ( -0.4629630 0.4054119 -0.0000000), wk = 0.0021930 k( 308) = ( -0.4722222 0.4135201 0.0000000), wk = 0.0021930 k( 309) = ( -0.4814815 0.4216284 0.0000000), wk = 0.0021930 k( 310) = ( -0.4907407 0.4297366 -0.0000000), wk = 0.0021930 k( 311) = ( -0.5000000 0.4378449 0.0000000), wk = 0.0021930 k( 312) = ( -0.5000000 0.4378449 0.0000000), wk = 0.0021930 k( 313) = ( -0.4927135 0.4461657 -0.0000000), wk = 0.0021930 k( 314) = ( -0.4854270 0.4544866 -0.0000000), wk = 0.0021930 k( 315) = ( -0.4781405 0.4628074 -0.0000000), wk = 0.0021930 k( 316) = ( -0.4708541 0.4711283 -0.0000000), wk = 0.0021930 k( 317) = ( -0.4635676 0.4794491 -0.0000000), wk = 0.0021930 k( 318) = ( -0.4562811 0.4877700 -0.0000000), wk = 0.0021930 k( 319) = ( -0.4489946 0.4960908 -0.0000000), wk = 0.0021930 k( 320) = ( -0.4417081 0.5044117 -0.0000000), wk = 0.0021930 k( 321) = ( -0.4417081 0.5044117 -0.0000000), wk = 0.0021930 k( 322) = ( -0.4417081 0.5044117 0.0123840), wk = 0.0021930 k( 323) = ( -0.4417081 0.5044117 0.0247681), wk = 0.0021930 k( 324) = ( -0.4417081 0.5044117 0.0371522), wk = 0.0021930 k( 325) = ( -0.4417081 0.5044117 0.0495362), wk = 0.0021930 k( 326) = ( -0.4417081 0.5044117 0.0619203), wk = 0.0021930 k( 327) = ( -0.4417081 0.5044117 0.0743043), wk = 0.0021930 k( 328) = ( -0.4417081 0.5044117 0.0866884), wk = 0.0021930 k( 329) = ( -0.4417081 0.5044117 0.0990724), wk = 0.0021930 k( 330) = ( -0.4417081 0.5044117 0.1114565), wk = 0.0021930 k( 331) = ( -0.4417081 0.5044117 0.1238405), wk = 0.0021930 k( 332) = ( -0.4417081 0.5044117 0.1362246), wk = 0.0021930 k( 333) = ( -0.4417081 0.5044117 0.1486086), wk = 0.0021930 k( 334) = ( -0.4417081 0.5044117 0.1609927), wk = 0.0021930 k( 335) = ( -0.4417081 0.5044117 0.1733767), wk = 0.0021930 k( 336) = ( -0.4417081 0.5044117 0.1857608), wk = 0.0021930 k( 337) = ( -0.4417081 0.5044117 0.1981448), wk = 0.0021930 k( 338) = ( -0.4417081 0.5044117 0.2105289), wk = 0.0021930 k( 339) = ( -0.4417081 0.5044117 0.2229129), wk = 0.0021930 k( 340) = ( -0.4417081 0.5044117 0.2352970), wk = 0.0021930 k( 341) = ( -0.4417081 0.5044117 0.2476810), wk = 0.0021930 k( 342) = ( -0.4417081 0.5044117 0.2600651), wk = 0.0021930 k( 343) = ( -0.4417081 0.5044117 0.2724491), wk = 0.0021930 k( 344) = ( -0.4417081 0.5044117 0.2848332), wk = 0.0021930 k( 345) = ( -0.4417081 0.5044117 0.2972172), wk = 0.0021930 k( 346) = ( -0.4417081 0.5044117 0.3096013), wk = 0.0021930 k( 347) = ( -0.4417081 0.5044117 0.3219853), wk = 0.0021930 k( 348) = ( -0.4417081 0.5044117 0.3343694), wk = 0.0021930 k( 349) = ( -0.4417081 0.5044117 0.3467534), wk = 0.0021930 k( 350) = ( -0.4417081 0.5044117 0.3591375), wk = 0.0021930 k( 351) = ( -0.4417081 0.5044117 0.3715215), wk = 0.0021930 k( 352) = ( -0.4417081 0.5044117 0.3839056), wk = 0.0021930 k( 353) = ( -0.4417081 0.5044117 0.3962897), wk = 0.0021930 k( 354) = ( -0.4417081 0.5044117 0.4086737), wk = 0.0021930 k( 355) = ( -0.4417081 0.5044117 0.4210578), wk = 0.0021930 k( 356) = ( -0.4417081 0.5044117 0.4334418), wk = 0.0021930 k( 357) = ( -0.4417081 0.5044117 0.4334418), wk = 0.0021930 k( 358) = ( -0.4489946 0.4960908 0.4334418), wk = 0.0021930 k( 359) = ( -0.4562811 0.4877700 0.4334418), wk = 0.0021930 k( 360) = ( -0.4635676 0.4794491 0.4334418), wk = 0.0021930 k( 361) = ( -0.4708541 0.4711283 0.4334418), wk = 0.0021930 k( 362) = ( -0.4781405 0.4628074 0.4334418), wk = 0.0021930 k( 363) = ( -0.4854270 0.4544866 0.4334418), wk = 0.0021930 k( 364) = ( -0.4927135 0.4461657 0.4334418), wk = 0.0021930 k( 365) = ( -0.5000000 0.4378449 0.4334418), wk = 0.0021930 k( 366) = ( -0.5000000 0.4378449 0.4334418), wk = 0.0021930 k( 367) = ( -0.5000000 0.4378449 0.4210578), wk = 0.0021930 k( 368) = ( -0.5000000 0.4378449 0.4086737), wk = 0.0021930 k( 369) = ( -0.5000000 0.4378449 0.3962897), wk = 0.0021930 k( 370) = ( -0.5000000 0.4378449 0.3839056), wk = 0.0021930 k( 371) = ( -0.5000000 0.4378449 0.3715215), wk = 0.0021930 k( 372) = ( -0.5000000 0.4378449 0.3591375), wk = 0.0021930 k( 373) = ( -0.5000000 0.4378449 0.3467534), wk = 0.0021930 k( 374) = ( -0.5000000 0.4378449 0.3343694), wk = 0.0021930 k( 375) = ( -0.5000000 0.4378449 0.3219853), wk = 0.0021930 k( 376) = ( -0.5000000 0.4378449 0.3096013), wk = 0.0021930 k( 377) = ( -0.5000000 0.4378449 0.2972172), wk = 0.0021930 k( 378) = ( -0.5000000 0.4378449 0.2848332), wk = 0.0021930 k( 379) = ( -0.5000000 0.4378449 0.2724491), wk = 0.0021930 k( 380) = ( -0.5000000 0.4378449 0.2600651), wk = 0.0021930 k( 381) = ( -0.5000000 0.4378449 0.2476810), wk = 0.0021930 k( 382) = ( -0.5000000 0.4378449 0.2352970), wk = 0.0021930 k( 383) = ( -0.5000000 0.4378449 0.2229129), wk = 0.0021930 k( 384) = ( -0.5000000 0.4378449 0.2105289), wk = 0.0021930 k( 385) = ( -0.5000000 0.4378449 0.1981448), wk = 0.0021930 k( 386) = ( -0.5000000 0.4378449 0.1857608), wk = 0.0021930 k( 387) = ( -0.5000000 0.4378449 0.1733767), wk = 0.0021930 k( 388) = ( -0.5000000 0.4378449 0.1609927), wk = 0.0021930 k( 389) = ( -0.5000000 0.4378449 0.1486086), wk = 0.0021930 k( 390) = ( -0.5000000 0.4378449 0.1362246), wk = 0.0021930 k( 391) = ( -0.5000000 0.4378449 0.1238405), wk = 0.0021930 k( 392) = ( -0.5000000 0.4378449 0.1114565), wk = 0.0021930 k( 393) = ( -0.5000000 0.4378449 0.0990724), wk = 0.0021930 k( 394) = ( -0.5000000 0.4378449 0.0866884), wk = 0.0021930 k( 395) = ( -0.5000000 0.4378449 0.0743043), wk = 0.0021930 k( 396) = ( -0.5000000 0.4378449 0.0619203), wk = 0.0021930 k( 397) = ( -0.5000000 0.4378449 0.0495362), wk = 0.0021930 k( 398) = ( -0.5000000 0.4378449 0.0371522), wk = 0.0021930 k( 399) = ( -0.5000000 0.4378449 0.0247681), wk = 0.0021930 k( 400) = ( -0.5000000 0.4378449 0.0123840), wk = 0.0021930 k( 401) = ( -0.5000000 0.4378449 0.0000000), wk = 0.0021930 k( 402) = ( 0.0000000 0.0000000 0.4334418), wk = 0.0021930 k( 403) = ( -0.0092593 0.0081082 0.4334418), wk = 0.0021930 k( 404) = ( -0.0185185 0.0162165 0.4334418), wk = 0.0021930 k( 405) = ( -0.0277778 0.0243247 0.4334418), wk = 0.0021930 k( 406) = ( -0.0370370 0.0324330 0.4334418), wk = 0.0021930 k( 407) = ( -0.0462963 0.0405412 0.4334418), wk = 0.0021930 k( 408) = ( -0.0555556 0.0486494 0.4334418), wk = 0.0021930 k( 409) = ( -0.0648148 0.0567577 0.4334418), wk = 0.0021930 k( 410) = ( -0.0740741 0.0648659 0.4334418), wk = 0.0021930 k( 411) = ( -0.0833333 0.0729741 0.4334418), wk = 0.0021930 k( 412) = ( -0.0925926 0.0810824 0.4334418), wk = 0.0021930 k( 413) = ( -0.1018518 0.0891906 0.4334418), wk = 0.0021930 k( 414) = ( -0.1111111 0.0972989 0.4334418), wk = 0.0021930 k( 415) = ( -0.1203704 0.1054071 0.4334418), wk = 0.0021930 k( 416) = ( -0.1296296 0.1135153 0.4334418), wk = 0.0021930 k( 417) = ( -0.1388889 0.1216236 0.4334418), wk = 0.0021930 k( 418) = ( -0.1481482 0.1297318 0.4334418), wk = 0.0021930 k( 419) = ( -0.1574074 0.1378401 0.4334418), wk = 0.0021930 k( 420) = ( -0.1666667 0.1459483 0.4334418), wk = 0.0021930 k( 421) = ( -0.1759259 0.1540565 0.4334418), wk = 0.0021930 k( 422) = ( -0.1851852 0.1621648 0.4334418), wk = 0.0021930 k( 423) = ( -0.1944444 0.1702730 0.4334418), wk = 0.0021930 k( 424) = ( -0.2037037 0.1783812 0.4334418), wk = 0.0021930 k( 425) = ( -0.2129630 0.1864895 0.4334418), wk = 0.0021930 k( 426) = ( -0.2222222 0.1945977 0.4334418), wk = 0.0021930 k( 427) = ( -0.2314815 0.2027060 0.4334418), wk = 0.0021930 k( 428) = ( -0.2407407 0.2108142 0.4334418), wk = 0.0021930 k( 429) = ( -0.2500000 0.2189224 0.4334418), wk = 0.0021930 k( 430) = ( -0.2592593 0.2270307 0.4334418), wk = 0.0021930 k( 431) = ( -0.2685185 0.2351389 0.4334418), wk = 0.0021930 k( 432) = ( -0.2777778 0.2432471 0.4334418), wk = 0.0021930 k( 433) = ( -0.2870370 0.2513554 0.4334418), wk = 0.0021930 k( 434) = ( -0.2962963 0.2594636 0.4334418), wk = 0.0021930 k( 435) = ( -0.3055556 0.2675719 0.4334418), wk = 0.0021930 k( 436) = ( -0.3148148 0.2756801 0.4334418), wk = 0.0021930 k( 437) = ( -0.3240741 0.2837883 0.4334418), wk = 0.0021930 k( 438) = ( -0.3333333 0.2918966 0.4334418), wk = 0.0021930 k( 439) = ( -0.3425926 0.3000048 0.4334418), wk = 0.0021930 k( 440) = ( -0.3518519 0.3081130 0.4334418), wk = 0.0021930 k( 441) = ( -0.3611111 0.3162213 0.4334418), wk = 0.0021930 k( 442) = ( -0.3703704 0.3243295 0.4334418), wk = 0.0021930 k( 443) = ( -0.3796296 0.3324378 0.4334418), wk = 0.0021930 k( 444) = ( -0.3888889 0.3405460 0.4334418), wk = 0.0021930 k( 445) = ( -0.3981481 0.3486542 0.4334418), wk = 0.0021930 k( 446) = ( -0.4074074 0.3567625 0.4334418), wk = 0.0021930 k( 447) = ( -0.4166667 0.3648707 0.4334418), wk = 0.0021930 k( 448) = ( -0.4259259 0.3729790 0.4334418), wk = 0.0021930 k( 449) = ( -0.4351852 0.3810872 0.4334418), wk = 0.0021930 k( 450) = ( -0.4444444 0.3891954 0.4334418), wk = 0.0021930 k( 451) = ( -0.4537037 0.3973037 0.4334418), wk = 0.0021930 k( 452) = ( -0.4629630 0.4054119 0.4334418), wk = 0.0021930 k( 453) = ( -0.4722222 0.4135201 0.4334418), wk = 0.0021930 k( 454) = ( -0.4814815 0.4216284 0.4334418), wk = 0.0021930 k( 455) = ( -0.4907407 0.4297366 0.4334418), wk = 0.0021930 k( 456) = ( -0.5000000 0.4378449 0.4334418), wk = 0.0021930 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 2) = ( 0.0081798 0.0081798 0.0000000), wk = 0.0021930 k( 3) = ( 0.0163596 0.0163596 0.0000000), wk = 0.0021930 k( 4) = ( 0.0245393 0.0245393 0.0000000), wk = 0.0021930 k( 5) = ( 0.0327191 0.0327191 0.0000000), wk = 0.0021930 k( 6) = ( 0.0408989 0.0408989 0.0000000), wk = 0.0021930 k( 7) = ( 0.0490787 0.0490787 0.0000000), wk = 0.0021930 k( 8) = ( 0.0572585 0.0572585 0.0000000), wk = 0.0021930 k( 9) = ( 0.0654382 0.0654382 0.0000000), wk = 0.0021930 k( 10) = ( 0.0736180 0.0736180 0.0000000), wk = 0.0021930 k( 11) = ( 0.0817978 0.0817978 0.0000000), wk = 0.0021930 k( 12) = ( 0.0899776 0.0899776 0.0000000), wk = 0.0021930 k( 13) = ( 0.0981574 0.0981574 0.0000000), wk = 0.0021930 k( 14) = ( 0.1063371 0.1063371 -0.0000000), wk = 0.0021930 k( 15) = ( 0.1145169 0.1145169 0.0000000), wk = 0.0021930 k( 16) = ( 0.1226967 0.1226967 -0.0000000), wk = 0.0021930 k( 17) = ( 0.1308765 0.1308765 0.0000000), wk = 0.0021930 k( 18) = ( 0.1390563 0.1390563 0.0000000), wk = 0.0021930 k( 19) = ( 0.1472360 0.1472360 0.0000000), wk = 0.0021930 k( 20) = ( 0.1554158 0.1554158 0.0000000), wk = 0.0021930 k( 21) = ( 0.1635956 0.1635956 0.0000000), wk = 0.0021930 k( 22) = ( 0.1717754 0.1717754 0.0000000), wk = 0.0021930 k( 23) = ( 0.1799552 0.1799552 0.0000000), wk = 0.0021930 k( 24) = ( 0.1881349 0.1881349 0.0000000), wk = 0.0021930 k( 25) = ( 0.1963147 0.1963147 0.0000000), wk = 0.0021930 k( 26) = ( 0.2044945 0.2044945 0.0000000), wk = 0.0021930 k( 27) = ( 0.2126743 0.2126743 -0.0000000), wk = 0.0021930 k( 28) = ( 0.2208541 0.2208541 -0.0000000), wk = 0.0021930 k( 29) = ( 0.2290338 0.2290338 0.0000000), wk = 0.0021930 k( 30) = ( 0.2372136 0.2372136 -0.0000000), wk = 0.0021930 k( 31) = ( 0.2453934 0.2453934 -0.0000000), wk = 0.0021930 k( 32) = ( 0.2535732 0.2535732 0.0000000), wk = 0.0021930 k( 33) = ( 0.2617530 0.2617530 0.0000000), wk = 0.0021930 k( 34) = ( 0.2699327 0.2699327 0.0000000), wk = 0.0021930 k( 35) = ( 0.2781125 0.2781125 0.0000000), wk = 0.0021930 k( 36) = ( 0.2862923 0.2862923 -0.0000000), wk = 0.0021930 k( 37) = ( 0.2944721 0.2944721 0.0000000), wk = 0.0021930 k( 38) = ( 0.3026519 0.3026519 0.0000000), wk = 0.0021930 k( 39) = ( 0.3108316 0.3108316 0.0000000), wk = 0.0021930 k( 40) = ( 0.3190114 0.3190114 0.0000000), wk = 0.0021930 k( 41) = ( 0.3271912 0.3271912 0.0000000), wk = 0.0021930 k( 42) = ( 0.3353710 0.3353710 0.0000000), wk = 0.0021930 k( 43) = ( 0.3435508 0.3435508 0.0000000), wk = 0.0021930 k( 44) = ( 0.3517305 0.3517305 0.0000000), wk = 0.0021930 k( 45) = ( 0.3599103 0.3599103 0.0000000), wk = 0.0021930 k( 46) = ( 0.3680901 0.3680901 -0.0000000), wk = 0.0021930 k( 47) = ( 0.3762699 0.3762699 0.0000000), wk = 0.0021930 k( 48) = ( 0.3844497 0.3844497 0.0000000), wk = 0.0021930 k( 49) = ( 0.3926294 0.3926294 0.0000000), wk = 0.0021930 k( 50) = ( 0.4008092 0.4008092 0.0000000), wk = 0.0021930 k( 51) = ( 0.4089890 0.4089890 0.0000000), wk = 0.0021930 k( 52) = ( 0.4171688 0.4171688 0.0000000), wk = 0.0021930 k( 53) = ( 0.4253486 0.4253486 -0.0000000), wk = 0.0021930 k( 54) = ( 0.4335283 0.4335283 0.0000000), wk = 0.0021930 k( 55) = ( 0.4417081 0.4417081 -0.0000000), wk = 0.0021930 k( 56) = ( 0.4417081 0.4417081 -0.0000000), wk = 0.0021930 k( 57) = ( 0.4294385 0.4433273 0.0000000), wk = 0.0021930 k( 58) = ( 0.4171688 0.4449466 -0.0000000), wk = 0.0021930 k( 59) = ( 0.4048991 0.4465658 -0.0000000), wk = 0.0021930 k( 60) = ( 0.3926294 0.4481850 0.0000000), wk = 0.0021930 k( 61) = ( 0.3803598 0.4498042 0.0000000), wk = 0.0021930 k( 62) = ( 0.3680901 0.4514234 0.0000000), wk = 0.0021930 k( 63) = ( 0.3558204 0.4530426 -0.0000000), wk = 0.0021930 k( 64) = ( 0.3435508 0.4546619 0.0000000), wk = 0.0021930 k( 65) = ( 0.3312811 0.4562811 0.0000000), wk = 0.0021930 k( 66) = ( 0.3190114 0.4579003 0.0000000), wk = 0.0021930 k( 67) = ( 0.3067417 0.4595195 0.0000000), wk = 0.0021930 k( 68) = ( 0.2944721 0.4611388 0.0000000), wk = 0.0021930 k( 69) = ( 0.2822024 0.4627580 0.0000000), wk = 0.0021930 k( 70) = ( 0.2699327 0.4643772 0.0000000), wk = 0.0021930 k( 71) = ( 0.2576631 0.4659964 0.0000000), wk = 0.0021930 k( 72) = ( 0.2453934 0.4676156 0.0000000), wk = 0.0021930 k( 73) = ( 0.2331237 0.4692348 0.0000000), wk = 0.0021930 k( 74) = ( 0.2208541 0.4708541 0.0000000), wk = 0.0021930 k( 75) = ( 0.2085844 0.4724733 0.0000000), wk = 0.0021930 k( 76) = ( 0.1963147 0.4740925 0.0000000), wk = 0.0021930 k( 77) = ( 0.1840450 0.4757117 0.0000000), wk = 0.0021930 k( 78) = ( 0.1717754 0.4773309 0.0000000), wk = 0.0021930 k( 79) = ( 0.1595057 0.4789502 0.0000000), wk = 0.0021930 k( 80) = ( 0.1472360 0.4805694 0.0000000), wk = 0.0021930 k( 81) = ( 0.1349664 0.4821886 0.0000000), wk = 0.0021930 k( 82) = ( 0.1226967 0.4838078 0.0000000), wk = 0.0021930 k( 83) = ( 0.1104270 0.4854270 0.0000000), wk = 0.0021930 k( 84) = ( 0.0981574 0.4870463 0.0000000), wk = 0.0021930 k( 85) = ( 0.0858877 0.4886655 0.0000000), wk = 0.0021930 k( 86) = ( 0.0736180 0.4902847 0.0000000), wk = 0.0021930 k( 87) = ( 0.0613484 0.4919039 0.0000000), wk = 0.0021930 k( 88) = ( 0.0490787 0.4935231 0.0000000), wk = 0.0021930 k( 89) = ( 0.0368090 0.4951423 -0.0000000), wk = 0.0021930 k( 90) = ( 0.0245393 0.4967616 0.0000000), wk = 0.0021930 k( 91) = ( 0.0122697 0.4983808 0.0000000), wk = 0.0021930 k( 92) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 93) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021930 k( 94) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0021930 k( 95) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0021930 k( 96) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0021930 k( 97) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0021930 k( 98) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0021930 k( 99) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0021930 k( 100) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021930 k( 101) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0021930 k( 102) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0021930 k( 103) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0021930 k( 104) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0021930 k( 105) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0021930 k( 106) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0021930 k( 107) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021930 k( 108) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0021930 k( 109) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0021930 k( 110) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0021930 k( 111) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0021930 k( 112) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0021930 k( 113) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0021930 k( 114) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021930 k( 115) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0021930 k( 116) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0021930 k( 117) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0021930 k( 118) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0021930 k( 119) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0021930 k( 120) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0021930 k( 121) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021930 k( 122) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0021930 k( 123) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0021930 k( 124) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0021930 k( 125) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0021930 k( 126) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0021930 k( 127) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0021930 k( 128) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 129) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021930 k( 130) = ( 0.0122697 0.4983808 0.5000000), wk = 0.0021930 k( 131) = ( 0.0245393 0.4967616 0.5000000), wk = 0.0021930 k( 132) = ( 0.0368090 0.4951423 0.5000000), wk = 0.0021930 k( 133) = ( 0.0490787 0.4935231 0.5000000), wk = 0.0021930 k( 134) = ( 0.0613484 0.4919039 0.5000000), wk = 0.0021930 k( 135) = ( 0.0736180 0.4902847 0.5000000), wk = 0.0021930 k( 136) = ( 0.0858877 0.4886655 0.5000000), wk = 0.0021930 k( 137) = ( 0.0981574 0.4870463 0.5000000), wk = 0.0021930 k( 138) = ( 0.1104270 0.4854270 0.5000000), wk = 0.0021930 k( 139) = ( 0.1226967 0.4838078 0.5000000), wk = 0.0021930 k( 140) = ( 0.1349664 0.4821886 0.5000000), wk = 0.0021930 k( 141) = ( 0.1472360 0.4805694 0.5000000), wk = 0.0021930 k( 142) = ( 0.1595057 0.4789502 0.5000000), wk = 0.0021930 k( 143) = ( 0.1717754 0.4773309 0.5000000), wk = 0.0021930 k( 144) = ( 0.1840450 0.4757117 0.5000000), wk = 0.0021930 k( 145) = ( 0.1963147 0.4740925 0.5000000), wk = 0.0021930 k( 146) = ( 0.2085844 0.4724733 0.5000000), wk = 0.0021930 k( 147) = ( 0.2208541 0.4708541 0.5000000), wk = 0.0021930 k( 148) = ( 0.2331237 0.4692348 0.5000000), wk = 0.0021930 k( 149) = ( 0.2453934 0.4676156 0.5000000), wk = 0.0021930 k( 150) = ( 0.2576631 0.4659964 0.5000000), wk = 0.0021930 k( 151) = ( 0.2699327 0.4643772 0.5000000), wk = 0.0021930 k( 152) = ( 0.2822024 0.4627580 0.5000000), wk = 0.0021930 k( 153) = ( 0.2944721 0.4611388 0.5000000), wk = 0.0021930 k( 154) = ( 0.3067417 0.4595195 0.5000000), wk = 0.0021930 k( 155) = ( 0.3190114 0.4579003 0.5000000), wk = 0.0021930 k( 156) = ( 0.3312811 0.4562811 0.5000000), wk = 0.0021930 k( 157) = ( 0.3435508 0.4546619 0.5000000), wk = 0.0021930 k( 158) = ( 0.3558204 0.4530426 0.5000000), wk = 0.0021930 k( 159) = ( 0.3680901 0.4514234 0.5000000), wk = 0.0021930 k( 160) = ( 0.3803598 0.4498042 0.5000000), wk = 0.0021930 k( 161) = ( 0.3926294 0.4481850 0.5000000), wk = 0.0021930 k( 162) = ( 0.4048991 0.4465658 0.5000000), wk = 0.0021930 k( 163) = ( 0.4171688 0.4449466 0.5000000), wk = 0.0021930 k( 164) = ( 0.4294385 0.4433273 0.5000000), wk = 0.0021930 k( 165) = ( 0.4417081 0.4417081 0.5000000), wk = 0.0021930 k( 166) = ( 0.4417081 0.4417081 0.5000000), wk = 0.0021930 k( 167) = ( 0.4335283 0.4335283 0.5000000), wk = 0.0021930 k( 168) = ( 0.4253486 0.4253486 0.5000000), wk = 0.0021930 k( 169) = ( 0.4171688 0.4171688 0.5000000), wk = 0.0021930 k( 170) = ( 0.4089890 0.4089890 0.5000000), wk = 0.0021930 k( 171) = ( 0.4008092 0.4008092 0.5000000), wk = 0.0021930 k( 172) = ( 0.3926294 0.3926294 0.5000000), wk = 0.0021930 k( 173) = ( 0.3844497 0.3844497 0.5000000), wk = 0.0021930 k( 174) = ( 0.3762699 0.3762699 0.5000000), wk = 0.0021930 k( 175) = ( 0.3680901 0.3680901 0.5000000), wk = 0.0021930 k( 176) = ( 0.3599103 0.3599103 0.5000000), wk = 0.0021930 k( 177) = ( 0.3517305 0.3517305 0.5000000), wk = 0.0021930 k( 178) = ( 0.3435508 0.3435508 0.5000000), wk = 0.0021930 k( 179) = ( 0.3353710 0.3353710 0.5000000), wk = 0.0021930 k( 180) = ( 0.3271912 0.3271912 0.5000000), wk = 0.0021930 k( 181) = ( 0.3190114 0.3190114 0.5000000), wk = 0.0021930 k( 182) = ( 0.3108316 0.3108316 0.5000000), wk = 0.0021930 k( 183) = ( 0.3026519 0.3026519 0.5000000), wk = 0.0021930 k( 184) = ( 0.2944721 0.2944721 0.5000000), wk = 0.0021930 k( 185) = ( 0.2862923 0.2862923 0.5000000), wk = 0.0021930 k( 186) = ( 0.2781125 0.2781125 0.5000000), wk = 0.0021930 k( 187) = ( 0.2699327 0.2699327 0.5000000), wk = 0.0021930 k( 188) = ( 0.2617530 0.2617530 0.5000000), wk = 0.0021930 k( 189) = ( 0.2535732 0.2535732 0.5000000), wk = 0.0021930 k( 190) = ( 0.2453934 0.2453934 0.5000000), wk = 0.0021930 k( 191) = ( 0.2372136 0.2372136 0.5000000), wk = 0.0021930 k( 192) = ( 0.2290338 0.2290338 0.5000000), wk = 0.0021930 k( 193) = ( 0.2208541 0.2208541 0.5000000), wk = 0.0021930 k( 194) = ( 0.2126743 0.2126743 0.5000000), wk = 0.0021930 k( 195) = ( 0.2044945 0.2044945 0.5000000), wk = 0.0021930 k( 196) = ( 0.1963147 0.1963147 0.5000000), wk = 0.0021930 k( 197) = ( 0.1881349 0.1881349 0.5000000), wk = 0.0021930 k( 198) = ( 0.1799552 0.1799552 0.5000000), wk = 0.0021930 k( 199) = ( 0.1717754 0.1717754 0.5000000), wk = 0.0021930 k( 200) = ( 0.1635956 0.1635956 0.5000000), wk = 0.0021930 k( 201) = ( 0.1554158 0.1554158 0.5000000), wk = 0.0021930 k( 202) = ( 0.1472360 0.1472360 0.5000000), wk = 0.0021930 k( 203) = ( 0.1390563 0.1390563 0.5000000), wk = 0.0021930 k( 204) = ( 0.1308765 0.1308765 0.5000000), wk = 0.0021930 k( 205) = ( 0.1226967 0.1226967 0.5000000), wk = 0.0021930 k( 206) = ( 0.1145169 0.1145169 0.5000000), wk = 0.0021930 k( 207) = ( 0.1063371 0.1063371 0.5000000), wk = 0.0021930 k( 208) = ( 0.0981574 0.0981574 0.5000000), wk = 0.0021930 k( 209) = ( 0.0899776 0.0899776 0.5000000), wk = 0.0021930 k( 210) = ( 0.0817978 0.0817978 0.5000000), wk = 0.0021930 k( 211) = ( 0.0736180 0.0736180 0.5000000), wk = 0.0021930 k( 212) = ( 0.0654382 0.0654382 0.5000000), wk = 0.0021930 k( 213) = ( 0.0572585 0.0572585 0.5000000), wk = 0.0021930 k( 214) = ( 0.0490787 0.0490787 0.5000000), wk = 0.0021930 k( 215) = ( 0.0408989 0.0408989 0.5000000), wk = 0.0021930 k( 216) = ( 0.0327191 0.0327191 0.5000000), wk = 0.0021930 k( 217) = ( 0.0245393 0.0245393 0.5000000), wk = 0.0021930 k( 218) = ( 0.0163596 0.0163596 0.5000000), wk = 0.0021930 k( 219) = ( 0.0081798 0.0081798 0.5000000), wk = 0.0021930 k( 220) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 222) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0021930 k( 223) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0021930 k( 224) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0021930 k( 225) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0021930 k( 226) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021930 k( 227) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0021930 k( 228) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021930 k( 229) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0021930 k( 230) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0021930 k( 231) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021930 k( 232) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0021930 k( 233) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0021930 k( 234) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0021930 k( 235) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021930 k( 236) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021930 k( 237) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0021930 k( 238) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0021930 k( 239) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0021930 k( 240) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0021930 k( 241) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021930 k( 242) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021930 k( 243) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0021930 k( 244) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0021930 k( 245) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0021930 k( 246) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021930 k( 247) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0021930 k( 248) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0021930 k( 249) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021930 k( 250) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0021930 k( 251) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021930 k( 252) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0021930 k( 253) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0021930 k( 254) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0021930 k( 255) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0021930 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021930 k( 258) = ( -0.0092593 0.0092593 0.0000000), wk = 0.0021930 k( 259) = ( -0.0185185 0.0185185 0.0000000), wk = 0.0021930 k( 260) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0021930 k( 261) = ( -0.0370370 0.0370370 0.0000000), wk = 0.0021930 k( 262) = ( -0.0462963 0.0462963 0.0000000), wk = 0.0021930 k( 263) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0021930 k( 264) = ( -0.0648148 0.0648148 0.0000000), wk = 0.0021930 k( 265) = ( -0.0740741 0.0740741 0.0000000), wk = 0.0021930 k( 266) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0021930 k( 267) = ( -0.0925926 0.0925926 0.0000000), wk = 0.0021930 k( 268) = ( -0.1018518 0.1018519 0.0000000), wk = 0.0021930 k( 269) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0021930 k( 270) = ( -0.1203704 0.1203704 0.0000000), wk = 0.0021930 k( 271) = ( -0.1296296 0.1296296 0.0000000), wk = 0.0021930 k( 272) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0021930 k( 273) = ( -0.1481482 0.1481482 0.0000000), wk = 0.0021930 k( 274) = ( -0.1574074 0.1574074 0.0000000), wk = 0.0021930 k( 275) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0021930 k( 276) = ( -0.1759259 0.1759259 0.0000000), wk = 0.0021930 k( 277) = ( -0.1851852 0.1851852 0.0000000), wk = 0.0021930 k( 278) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0021930 k( 279) = ( -0.2037037 0.2037037 0.0000000), wk = 0.0021930 k( 280) = ( -0.2129630 0.2129630 0.0000000), wk = 0.0021930 k( 281) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0021930 k( 282) = ( -0.2314815 0.2314815 0.0000000), wk = 0.0021930 k( 283) = ( -0.2407407 0.2407407 0.0000000), wk = 0.0021930 k( 284) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0021930 k( 285) = ( -0.2592593 0.2592593 0.0000000), wk = 0.0021930 k( 286) = ( -0.2685185 0.2685185 0.0000000), wk = 0.0021930 k( 287) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0021930 k( 288) = ( -0.2870370 0.2870370 0.0000000), wk = 0.0021930 k( 289) = ( -0.2962963 0.2962963 0.0000000), wk = 0.0021930 k( 290) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0021930 k( 291) = ( -0.3148148 0.3148148 0.0000000), wk = 0.0021930 k( 292) = ( -0.3240741 0.3240741 0.0000000), wk = 0.0021930 k( 293) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0021930 k( 294) = ( -0.3425926 0.3425926 0.0000000), wk = 0.0021930 k( 295) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0021930 k( 296) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0021930 k( 297) = ( -0.3703704 0.3703704 0.0000000), wk = 0.0021930 k( 298) = ( -0.3796296 0.3796296 0.0000000), wk = 0.0021930 k( 299) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0021930 k( 300) = ( -0.3981481 0.3981482 0.0000000), wk = 0.0021930 k( 301) = ( -0.4074074 0.4074074 0.0000000), wk = 0.0021930 k( 302) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0021930 k( 303) = ( -0.4259259 0.4259259 0.0000000), wk = 0.0021930 k( 304) = ( -0.4351852 0.4351852 0.0000000), wk = 0.0021930 k( 305) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0021930 k( 306) = ( -0.4537037 0.4537037 0.0000000), wk = 0.0021930 k( 307) = ( -0.4629630 0.4629630 0.0000000), wk = 0.0021930 k( 308) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0021930 k( 309) = ( -0.4814815 0.4814815 0.0000000), wk = 0.0021930 k( 310) = ( -0.4907407 0.4907407 0.0000000), wk = 0.0021930 k( 311) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 312) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 313) = ( -0.4927135 0.5072865 0.0000000), wk = 0.0021930 k( 314) = ( -0.4854270 0.5145730 0.0000000), wk = 0.0021930 k( 315) = ( -0.4781405 0.5218595 0.0000000), wk = 0.0021930 k( 316) = ( -0.4708541 0.5291459 0.0000000), wk = 0.0021930 k( 317) = ( -0.4635676 0.5364324 0.0000000), wk = 0.0021930 k( 318) = ( -0.4562811 0.5437189 0.0000000), wk = 0.0021930 k( 319) = ( -0.4489946 0.5510054 0.0000000), wk = 0.0021930 k( 320) = ( -0.4417081 0.5582919 0.0000000), wk = 0.0021930 k( 321) = ( -0.4417081 0.5582919 0.0000000), wk = 0.0021930 k( 322) = ( -0.4417081 0.5582919 0.0142857), wk = 0.0021930 k( 323) = ( -0.4417081 0.5582919 0.0285714), wk = 0.0021930 k( 324) = ( -0.4417081 0.5582919 0.0428571), wk = 0.0021930 k( 325) = ( -0.4417081 0.5582919 0.0571429), wk = 0.0021930 k( 326) = ( -0.4417081 0.5582919 0.0714286), wk = 0.0021930 k( 327) = ( -0.4417081 0.5582919 0.0857143), wk = 0.0021930 k( 328) = ( -0.4417081 0.5582919 0.1000000), wk = 0.0021930 k( 329) = ( -0.4417081 0.5582919 0.1142857), wk = 0.0021930 k( 330) = ( -0.4417081 0.5582919 0.1285714), wk = 0.0021930 k( 331) = ( -0.4417081 0.5582919 0.1428571), wk = 0.0021930 k( 332) = ( -0.4417081 0.5582919 0.1571429), wk = 0.0021930 k( 333) = ( -0.4417081 0.5582919 0.1714286), wk = 0.0021930 k( 334) = ( -0.4417081 0.5582919 0.1857143), wk = 0.0021930 k( 335) = ( -0.4417081 0.5582919 0.2000000), wk = 0.0021930 k( 336) = ( -0.4417081 0.5582919 0.2142857), wk = 0.0021930 k( 337) = ( -0.4417081 0.5582919 0.2285714), wk = 0.0021930 k( 338) = ( -0.4417081 0.5582919 0.2428571), wk = 0.0021930 k( 339) = ( -0.4417081 0.5582919 0.2571429), wk = 0.0021930 k( 340) = ( -0.4417081 0.5582919 0.2714286), wk = 0.0021930 k( 341) = ( -0.4417081 0.5582919 0.2857143), wk = 0.0021930 k( 342) = ( -0.4417081 0.5582919 0.3000000), wk = 0.0021930 k( 343) = ( -0.4417081 0.5582919 0.3142857), wk = 0.0021930 k( 344) = ( -0.4417081 0.5582919 0.3285714), wk = 0.0021930 k( 345) = ( -0.4417081 0.5582919 0.3428571), wk = 0.0021930 k( 346) = ( -0.4417081 0.5582919 0.3571429), wk = 0.0021930 k( 347) = ( -0.4417081 0.5582919 0.3714286), wk = 0.0021930 k( 348) = ( -0.4417081 0.5582919 0.3857143), wk = 0.0021930 k( 349) = ( -0.4417081 0.5582919 0.4000000), wk = 0.0021930 k( 350) = ( -0.4417081 0.5582919 0.4142857), wk = 0.0021930 k( 351) = ( -0.4417081 0.5582919 0.4285714), wk = 0.0021930 k( 352) = ( -0.4417081 0.5582919 0.4428571), wk = 0.0021930 k( 353) = ( -0.4417081 0.5582919 0.4571429), wk = 0.0021930 k( 354) = ( -0.4417081 0.5582919 0.4714286), wk = 0.0021930 k( 355) = ( -0.4417081 0.5582919 0.4857143), wk = 0.0021930 k( 356) = ( -0.4417081 0.5582919 0.5000000), wk = 0.0021930 k( 357) = ( -0.4417081 0.5582919 0.5000000), wk = 0.0021930 k( 358) = ( -0.4489946 0.5510054 0.5000000), wk = 0.0021930 k( 359) = ( -0.4562811 0.5437189 0.5000000), wk = 0.0021930 k( 360) = ( -0.4635676 0.5364324 0.5000000), wk = 0.0021930 k( 361) = ( -0.4708541 0.5291459 0.5000000), wk = 0.0021930 k( 362) = ( -0.4781405 0.5218595 0.5000000), wk = 0.0021930 k( 363) = ( -0.4854270 0.5145730 0.5000000), wk = 0.0021930 k( 364) = ( -0.4927135 0.5072865 0.5000000), wk = 0.0021930 k( 365) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 366) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 k( 367) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0021930 k( 368) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0021930 k( 369) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0021930 k( 370) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0021930 k( 371) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0021930 k( 372) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0021930 k( 373) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0021930 k( 374) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0021930 k( 375) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0021930 k( 376) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0021930 k( 377) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0021930 k( 378) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0021930 k( 379) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0021930 k( 380) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0021930 k( 381) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0021930 k( 382) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0021930 k( 383) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0021930 k( 384) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0021930 k( 385) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0021930 k( 386) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0021930 k( 387) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0021930 k( 388) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0021930 k( 389) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0021930 k( 390) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0021930 k( 391) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0021930 k( 392) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0021930 k( 393) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0021930 k( 394) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0021930 k( 395) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0021930 k( 396) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0021930 k( 397) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0021930 k( 398) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0021930 k( 399) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0021930 k( 400) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0021930 k( 401) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021930 k( 402) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021930 k( 403) = ( -0.0092593 0.0092593 0.5000000), wk = 0.0021930 k( 404) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0021930 k( 405) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0021930 k( 406) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0021930 k( 407) = ( -0.0462963 0.0462963 0.5000000), wk = 0.0021930 k( 408) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0021930 k( 409) = ( -0.0648148 0.0648148 0.5000000), wk = 0.0021930 k( 410) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0021930 k( 411) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0021930 k( 412) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0021930 k( 413) = ( -0.1018518 0.1018519 0.5000000), wk = 0.0021930 k( 414) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0021930 k( 415) = ( -0.1203704 0.1203704 0.5000000), wk = 0.0021930 k( 416) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0021930 k( 417) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0021930 k( 418) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0021930 k( 419) = ( -0.1574074 0.1574074 0.5000000), wk = 0.0021930 k( 420) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021930 k( 421) = ( -0.1759259 0.1759259 0.5000000), wk = 0.0021930 k( 422) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0021930 k( 423) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0021930 k( 424) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0021930 k( 425) = ( -0.2129630 0.2129630 0.5000000), wk = 0.0021930 k( 426) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0021930 k( 427) = ( -0.2314815 0.2314815 0.5000000), wk = 0.0021930 k( 428) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0021930 k( 429) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0021930 k( 430) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0021930 k( 431) = ( -0.2685185 0.2685185 0.5000000), wk = 0.0021930 k( 432) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0021930 k( 433) = ( -0.2870370 0.2870370 0.5000000), wk = 0.0021930 k( 434) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0021930 k( 435) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0021930 k( 436) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0021930 k( 437) = ( -0.3240741 0.3240741 0.5000000), wk = 0.0021930 k( 438) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021930 k( 439) = ( -0.3425926 0.3425926 0.5000000), wk = 0.0021930 k( 440) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0021930 k( 441) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0021930 k( 442) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0021930 k( 443) = ( -0.3796296 0.3796296 0.5000000), wk = 0.0021930 k( 444) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0021930 k( 445) = ( -0.3981481 0.3981482 0.5000000), wk = 0.0021930 k( 446) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0021930 k( 447) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0021930 k( 448) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0021930 k( 449) = ( -0.4351852 0.4351852 0.5000000), wk = 0.0021930 k( 450) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0021930 k( 451) = ( -0.4537037 0.4537037 0.5000000), wk = 0.0021930 k( 452) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0021930 k( 453) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0021930 k( 454) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0021930 k( 455) = ( -0.4907407 0.4907407 0.5000000), wk = 0.0021930 k( 456) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021930 Dense grid: 29017 G-vectors FFT dimensions: ( 40, 40, 45) Smooth grid: 19873 G-vectors FFT dimensions: ( 36, 36, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 74, 44) NL pseudopotentials 0.08 Mb ( 37, 136) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 405) G-vector shells 0.00 Mb ( 210) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 74, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CuI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.5 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.5 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.5 secs Computing kpt #: 29 total cpu time spent up to now is 15.0 secs Computing kpt #: 30 total cpu time spent up to now is 15.4 secs Computing kpt #: 31 total cpu time spent up to now is 15.9 secs Computing kpt #: 32 total cpu time spent up to now is 16.3 secs Computing kpt #: 33 total cpu time spent up to now is 16.8 secs Computing kpt #: 34 total cpu time spent up to now is 17.2 secs Computing kpt #: 35 total cpu time spent up to now is 17.7 secs Computing kpt #: 36 total cpu time spent up to now is 18.1 secs Computing kpt #: 37 total cpu time spent up to now is 18.6 secs Computing kpt #: 38 total cpu time spent up to now is 19.0 secs Computing kpt #: 39 total cpu time spent up to now is 19.4 secs Computing kpt #: 40 total cpu time spent up to now is 19.8 secs Computing kpt #: 41 total cpu time spent up to now is 20.2 secs Computing kpt #: 42 total cpu time spent up to now is 20.6 secs Computing kpt #: 43 total cpu time spent up to now is 21.0 secs Computing kpt #: 44 total cpu time spent up to now is 21.5 secs Computing kpt #: 45 total cpu time spent up to now is 21.9 secs Computing kpt #: 46 total cpu time spent up to now is 22.3 secs Computing kpt #: 47 total cpu time spent up to now is 22.7 secs Computing kpt #: 48 total cpu time spent up to now is 23.1 secs Computing kpt #: 49 total cpu time spent up to now is 23.5 secs Computing kpt #: 50 total cpu time spent up to now is 23.9 secs Computing kpt #: 51 total cpu time spent up to now is 24.3 secs Computing kpt #: 52 total cpu time spent up to now is 24.7 secs Computing kpt #: 53 total cpu time spent up to now is 25.1 secs Computing kpt #: 54 total cpu time spent up to now is 25.5 secs Computing kpt #: 55 total cpu time spent up to now is 25.8 secs Computing kpt #: 56 total cpu time spent up to now is 26.2 secs Computing kpt #: 57 total cpu time spent up to now is 26.6 secs Computing kpt #: 58 total cpu time spent up to now is 27.0 secs Computing kpt #: 59 total cpu time spent up to now is 27.4 secs Computing kpt #: 60 total cpu time spent up to now is 27.8 secs Computing kpt #: 61 total cpu time spent up to now is 28.3 secs Computing kpt #: 62 total cpu time spent up to now is 28.7 secs Computing kpt #: 63 total cpu time spent up to now is 29.1 secs Computing kpt #: 64 total cpu time spent up to now is 29.5 secs Computing kpt #: 65 total cpu time spent up to now is 29.9 secs Computing kpt #: 66 total cpu time spent up to now is 30.3 secs Computing kpt #: 67 total cpu time spent up to now is 30.8 secs Computing kpt #: 68 total cpu time spent up to now is 31.2 secs Computing kpt #: 69 total cpu time spent up to now is 31.6 secs Computing kpt #: 70 total cpu time spent up to now is 32.0 secs Computing kpt #: 71 total cpu time spent up to now is 32.4 secs Computing kpt #: 72 total cpu time spent up to now is 32.8 secs Computing kpt #: 73 total cpu time spent up to now is 33.2 secs Computing kpt #: 74 total cpu time spent up to now is 33.6 secs Computing kpt #: 75 total cpu time spent up to now is 34.0 secs Computing kpt #: 76 total cpu time spent up to now is 34.4 secs Computing kpt #: 77 total cpu time spent up to now is 34.8 secs Computing kpt #: 78 total cpu time spent up to now is 35.2 secs Computing kpt #: 79 total cpu time spent up to now is 35.6 secs Computing kpt #: 80 total cpu time spent up to now is 36.1 secs Computing kpt #: 81 total cpu time spent up to now is 36.6 secs Computing kpt #: 82 total cpu time spent up to now is 37.0 secs Computing kpt #: 83 total cpu time spent up to now is 37.5 secs Computing kpt #: 84 total cpu time spent up to now is 38.3 secs Computing kpt #: 85 total cpu time spent up to now is 38.8 secs Computing kpt #: 86 total cpu time spent up to now is 39.2 secs Computing kpt #: 87 total cpu time spent up to now is 39.6 secs Computing kpt #: 88 total cpu time spent up to now is 40.0 secs Computing kpt #: 89 total cpu time spent up to now is 40.5 secs Computing kpt #: 90 total cpu time spent up to now is 41.0 secs Computing kpt #: 91 total cpu time spent up to now is 41.4 secs Computing kpt #: 92 total cpu time spent up to now is 41.8 secs Computing kpt #: 93 total cpu time spent up to now is 42.3 secs Computing kpt #: 94 total cpu time spent up to now is 42.7 secs Computing kpt #: 95 total cpu time spent up to now is 43.2 secs Computing kpt #: 96 total cpu time spent up to now is 43.6 secs Computing kpt #: 97 total cpu time spent up to now is 44.0 secs Computing kpt #: 98 total cpu time spent up to now is 44.5 secs Computing kpt #: 99 total cpu time spent up to now is 44.9 secs Computing kpt #: 100 total cpu time spent up to now is 45.4 secs Computing kpt #: 101 total cpu time spent up to now is 45.9 secs Computing kpt #: 102 total cpu time spent up to now is 46.4 secs Computing kpt #: 103 total cpu time spent up to now is 47.1 secs Computing kpt #: 104 total cpu time spent up to now is 47.7 secs Computing kpt #: 105 total cpu time spent up to now is 48.3 secs Computing kpt #: 106 total cpu time spent up to now is 48.9 secs Computing kpt #: 107 total cpu time spent up to now is 49.3 secs Computing kpt #: 108 total cpu time spent up to now is 49.7 secs Computing kpt #: 109 total cpu time spent up to now is 50.1 secs Computing kpt #: 110 total cpu time spent up to now is 50.6 secs Computing kpt #: 111 total cpu time spent up to now is 51.0 secs Computing kpt #: 112 total cpu time spent up to now is 51.4 secs Computing kpt #: 113 total cpu time spent up to now is 51.8 secs Computing kpt #: 114 total cpu time spent up to now is 52.2 secs Computing kpt #: 115 total cpu time spent up to now is 52.6 secs Computing kpt #: 116 total cpu time spent up to now is 53.0 secs Computing kpt #: 117 total cpu time spent up to now is 53.5 secs Computing kpt #: 118 total cpu time spent up to now is 53.9 secs Computing kpt #: 119 total cpu time spent up to now is 54.4 secs Computing kpt #: 120 total cpu time spent up to now is 54.8 secs Computing kpt #: 121 total cpu time spent up to now is 55.2 secs Computing kpt #: 122 total cpu time spent up to now is 55.6 secs Computing kpt #: 123 total cpu time spent up to now is 56.0 secs Computing kpt #: 124 total cpu time spent up to now is 56.4 secs Computing kpt #: 125 total cpu time spent up to now is 56.8 secs Computing kpt #: 126 total cpu time spent up to now is 57.2 secs Computing kpt #: 127 total cpu time spent up to now is 57.6 secs Computing kpt #: 128 total cpu time spent up to now is 58.0 secs Computing kpt #: 129 total cpu time spent up to now is 58.4 secs Computing kpt #: 130 total cpu time spent up to now is 58.8 secs Computing kpt #: 131 total cpu time spent up to now is 59.2 secs Computing kpt #: 132 total cpu time spent up to now is 59.6 secs Computing kpt #: 133 total cpu time spent up to now is 60.0 secs Computing kpt #: 134 total cpu time spent up to now is 60.4 secs Computing kpt #: 135 total cpu time spent up to now is 60.8 secs Computing kpt #: 136 total cpu time spent up to now is 61.2 secs Computing kpt #: 137 total cpu time spent up to now is 61.6 secs Computing kpt #: 138 total cpu time spent up to now is 62.0 secs Computing kpt #: 139 total cpu time spent up to now is 62.4 secs Computing kpt #: 140 total cpu time spent up to now is 62.8 secs Computing kpt #: 141 total cpu time spent up to now is 63.2 secs Computing kpt #: 142 total cpu time spent up to now is 63.6 secs Computing kpt #: 143 total cpu time spent up to now is 64.0 secs Computing kpt #: 144 total cpu time spent up to now is 64.4 secs Computing kpt #: 145 total cpu time spent up to now is 64.8 secs Computing kpt #: 146 total cpu time spent up to now is 65.2 secs Computing kpt #: 147 total cpu time spent up to now is 65.6 secs Computing kpt #: 148 total cpu time spent up to now is 66.0 secs Computing kpt #: 149 total cpu time spent up to now is 66.4 secs Computing kpt #: 150 total cpu time spent up to now is 66.8 secs Computing kpt #: 151 total cpu time spent up to now is 67.2 secs Computing kpt #: 152 total cpu time spent up to now is 67.6 secs Computing kpt #: 153 total cpu time spent up to now is 68.0 secs Computing kpt #: 154 total cpu time spent up to now is 68.4 secs Computing kpt #: 155 total cpu time spent up to now is 68.8 secs Computing kpt #: 156 total cpu time spent up to now is 69.2 secs Computing kpt #: 157 total cpu time spent up to now is 69.6 secs Computing kpt #: 158 total cpu time spent up to now is 70.0 secs Computing kpt #: 159 total cpu time spent up to now is 70.4 secs Computing kpt #: 160 total cpu time spent up to now is 70.8 secs Computing kpt #: 161 total cpu time spent up to now is 71.3 secs Computing kpt #: 162 total cpu time spent up to now is 71.7 secs Computing kpt #: 163 total cpu time spent up to now is 72.2 secs Computing kpt #: 164 total cpu time spent up to now is 72.6 secs Computing kpt #: 165 total cpu time spent up to now is 73.2 secs Computing kpt #: 166 total cpu time spent up to now is 73.7 secs Computing kpt #: 167 total cpu time spent up to now is 74.1 secs Computing kpt #: 168 total cpu time spent up to now is 74.6 secs Computing kpt #: 169 total cpu time spent up to now is 75.0 secs Computing kpt #: 170 total cpu time spent up to now is 75.4 secs Computing kpt #: 171 total cpu time spent up to now is 75.8 secs Computing kpt #: 172 total cpu time spent up to now is 76.2 secs Computing kpt #: 173 total cpu time spent up to now is 76.7 secs Computing kpt #: 174 total cpu time spent up to now is 77.1 secs Computing kpt #: 175 total cpu time spent up to now is 77.5 secs Computing kpt #: 176 total cpu time spent up to now is 77.9 secs Computing kpt #: 177 total cpu time spent up to now is 78.4 secs Computing kpt #: 178 total cpu time spent up to now is 78.8 secs Computing kpt #: 179 total cpu time spent up to now is 79.2 secs Computing kpt #: 180 total cpu time spent up to now is 79.6 secs Computing kpt #: 181 total cpu time spent up to now is 80.0 secs Computing kpt #: 182 total cpu time spent up to now is 80.4 secs Computing kpt #: 183 total cpu time spent up to now is 80.8 secs Computing kpt #: 184 total cpu time spent up to now is 81.2 secs Computing kpt #: 185 total cpu time spent up to now is 81.6 secs Computing kpt #: 186 total cpu time spent up to now is 82.1 secs Computing kpt #: 187 total cpu time spent up to now is 82.5 secs Computing kpt #: 188 total cpu time spent up to now is 83.0 secs Computing kpt #: 189 total cpu time spent up to now is 83.4 secs Computing kpt #: 190 total cpu time spent up to now is 83.8 secs Computing kpt #: 191 total cpu time spent up to now is 84.2 secs Computing kpt #: 192 total cpu time spent up to now is 84.7 secs Computing kpt #: 193 total cpu time spent up to now is 85.2 secs Computing kpt #: 194 total cpu time spent up to now is 85.6 secs Computing kpt #: 195 total cpu time spent up to now is 86.0 secs Computing kpt #: 196 total cpu time spent up to now is 86.5 secs Computing kpt #: 197 total cpu time spent up to now is 87.0 secs Computing kpt #: 198 total cpu time spent up to now is 87.4 secs Computing kpt #: 199 total cpu time spent up to now is 87.9 secs Computing kpt #: 200 total cpu time spent up to now is 88.4 secs Computing kpt #: 201 total cpu time spent up to now is 88.8 secs Computing kpt #: 202 total cpu time spent up to now is 89.2 secs Computing kpt #: 203 total cpu time spent up to now is 89.6 secs Computing kpt #: 204 total cpu time spent up to now is 90.1 secs Computing kpt #: 205 total cpu time spent up to now is 90.5 secs Computing kpt #: 206 total cpu time spent up to now is 90.9 secs Computing kpt #: 207 total cpu time spent up to now is 91.3 secs Computing kpt #: 208 total cpu time spent up to now is 91.8 secs Computing kpt #: 209 total cpu time spent up to now is 92.2 secs Computing kpt #: 210 total cpu time spent up to now is 92.6 secs Computing kpt #: 211 total cpu time spent up to now is 93.0 secs Computing kpt #: 212 total cpu time spent up to now is 93.4 secs Computing kpt #: 213 total cpu time spent up to now is 93.8 secs Computing kpt #: 214 total cpu time spent up to now is 94.2 secs Computing kpt #: 215 total cpu time spent up to now is 94.7 secs Computing kpt #: 216 total cpu time spent up to now is 95.1 secs Computing kpt #: 217 total cpu time spent up to now is 95.5 secs Computing kpt #: 218 total cpu time spent up to now is 95.9 secs Computing kpt #: 219 total cpu time spent up to now is 96.3 secs Computing kpt #: 220 total cpu time spent up to now is 97.1 secs Computing kpt #: 221 total cpu time spent up to now is 97.5 secs Computing kpt #: 222 total cpu time spent up to now is 97.9 secs Computing kpt #: 223 total cpu time spent up to now is 98.3 secs Computing kpt #: 224 total cpu time spent up to now is 98.7 secs Computing kpt #: 225 total cpu time spent up to now is 99.1 secs Computing kpt #: 226 total cpu time spent up to now is 99.5 secs Computing kpt #: 227 total cpu time spent up to now is 99.9 secs Computing kpt #: 228 total cpu time spent up to now is 100.3 secs Computing kpt #: 229 total cpu time spent up to now is 100.7 secs Computing kpt #: 230 total cpu time spent up to now is 101.1 secs Computing kpt #: 231 total cpu time spent up to now is 101.5 secs Computing kpt #: 232 total cpu time spent up to now is 101.9 secs Computing kpt #: 233 total cpu time spent up to now is 102.3 secs Computing kpt #: 234 total cpu time spent up to now is 102.7 secs Computing kpt #: 235 total cpu time spent up to now is 103.1 secs Computing kpt #: 236 total cpu time spent up to now is 103.5 secs Computing kpt #: 237 total cpu time spent up to now is 104.0 secs Computing kpt #: 238 total cpu time spent up to now is 104.4 secs Computing kpt #: 239 total cpu time spent up to now is 104.8 secs Computing kpt #: 240 total cpu time spent up to now is 105.2 secs Computing kpt #: 241 total cpu time spent up to now is 105.6 secs Computing kpt #: 242 total cpu time spent up to now is 106.1 secs Computing kpt #: 243 total cpu time spent up to now is 106.6 secs Computing kpt #: 244 total cpu time spent up to now is 107.0 secs Computing kpt #: 245 total cpu time spent up to now is 107.4 secs Computing kpt #: 246 total cpu time spent up to now is 109.6 secs Computing kpt #: 247 total cpu time spent up to now is 110.0 secs Computing kpt #: 248 total cpu time spent up to now is 110.4 secs Computing kpt #: 249 total cpu time spent up to now is 110.9 secs Computing kpt #: 250 total cpu time spent up to now is 111.5 secs Computing kpt #: 251 total cpu time spent up to now is 112.0 secs Computing kpt #: 252 total cpu time spent up to now is 112.4 secs Computing kpt #: 253 total cpu time spent up to now is 112.8 secs Computing kpt #: 254 total cpu time spent up to now is 113.2 secs Computing kpt #: 255 total cpu time spent up to now is 113.6 secs Computing kpt #: 256 total cpu time spent up to now is 114.0 secs Computing kpt #: 257 total cpu time spent up to now is 114.4 secs Computing kpt #: 258 total cpu time spent up to now is 114.8 secs Computing kpt #: 259 total cpu time spent up to now is 115.2 secs Computing kpt #: 260 total cpu time spent up to now is 115.7 secs Computing kpt #: 261 total cpu time spent up to now is 116.1 secs Computing kpt #: 262 total cpu time spent up to now is 116.6 secs Computing kpt #: 263 total cpu time spent up to now is 117.0 secs Computing kpt #: 264 total cpu time spent up to now is 117.5 secs Computing kpt #: 265 total cpu time spent up to now is 117.9 secs Computing kpt #: 266 total cpu time spent up to now is 118.4 secs Computing kpt #: 267 total cpu time spent up to now is 118.8 secs Computing kpt #: 268 total cpu time spent up to now is 119.2 secs Computing kpt #: 269 total cpu time spent up to now is 119.6 secs Computing kpt #: 270 total cpu time spent up to now is 120.0 secs Computing kpt #: 271 total cpu time spent up to now is 120.4 secs Computing kpt #: 272 total cpu time spent up to now is 120.8 secs Computing kpt #: 273 total cpu time spent up to now is 121.2 secs Computing kpt #: 274 total cpu time spent up to now is 121.7 secs Computing kpt #: 275 total cpu time spent up to now is 122.1 secs Computing kpt #: 276 total cpu time spent up to now is 122.6 secs Computing kpt #: 277 total cpu time spent up to now is 123.0 secs Computing kpt #: 278 total cpu time spent up to now is 123.4 secs Computing kpt #: 279 total cpu time spent up to now is 123.9 secs Computing kpt #: 280 total cpu time spent up to now is 124.4 secs Computing kpt #: 281 total cpu time spent up to now is 124.9 secs Computing kpt #: 282 total cpu time spent up to now is 125.4 secs Computing kpt #: 283 total cpu time spent up to now is 126.0 secs Computing kpt #: 284 total cpu time spent up to now is 126.5 secs Computing kpt #: 285 total cpu time spent up to now is 126.9 secs Computing kpt #: 286 total cpu time spent up to now is 127.4 secs Computing kpt #: 287 total cpu time spent up to now is 127.8 secs Computing kpt #: 288 total cpu time spent up to now is 128.2 secs Computing kpt #: 289 total cpu time spent up to now is 128.6 secs Computing kpt #: 290 total cpu time spent up to now is 129.0 secs Computing kpt #: 291 total cpu time spent up to now is 129.4 secs Computing kpt #: 292 total cpu time spent up to now is 129.8 secs Computing kpt #: 293 total cpu time spent up to now is 130.2 secs Computing kpt #: 294 total cpu time spent up to now is 130.6 secs Computing kpt #: 295 total cpu time spent up to now is 131.0 secs Computing kpt #: 296 total cpu time spent up to now is 131.4 secs Computing kpt #: 297 total cpu time spent up to now is 131.8 secs Computing kpt #: 298 total cpu time spent up to now is 132.2 secs Computing kpt #: 299 total cpu time spent up to now is 132.6 secs Computing kpt #: 300 total cpu time spent up to now is 132.9 secs Computing kpt #: 301 total cpu time spent up to now is 133.3 secs Computing kpt #: 302 total cpu time spent up to now is 133.7 secs Computing kpt #: 303 total cpu time spent up to now is 134.1 secs Computing kpt #: 304 total cpu time spent up to now is 134.5 secs Computing kpt #: 305 total cpu time spent up to now is 134.9 secs Computing kpt #: 306 total cpu time spent up to now is 135.3 secs Computing kpt #: 307 total cpu time spent up to now is 135.7 secs Computing kpt #: 308 total cpu time spent up to now is 136.0 secs Computing kpt #: 309 total cpu time spent up to now is 136.4 secs Computing kpt #: 310 total cpu time spent up to now is 136.7 secs Computing kpt #: 311 total cpu time spent up to now is 137.1 secs Computing kpt #: 312 total cpu time spent up to now is 137.5 secs Computing kpt #: 313 total cpu time spent up to now is 137.9 secs Computing kpt #: 314 total cpu time spent up to now is 138.3 secs Computing kpt #: 315 total cpu time spent up to now is 138.7 secs Computing kpt #: 316 total cpu time spent up to now is 139.1 secs Computing kpt #: 317 total cpu time spent up to now is 139.5 secs Computing kpt #: 318 total cpu time spent up to now is 139.9 secs Computing kpt #: 319 total cpu time spent up to now is 140.3 secs Computing kpt #: 320 total cpu time spent up to now is 140.6 secs Computing kpt #: 321 total cpu time spent up to now is 141.0 secs Computing kpt #: 322 total cpu time spent up to now is 141.4 secs Computing kpt #: 323 total cpu time spent up to now is 141.7 secs Computing kpt #: 324 total cpu time spent up to now is 142.1 secs Computing kpt #: 325 total cpu time spent up to now is 142.5 secs Computing kpt #: 326 total cpu time spent up to now is 143.9 secs Computing kpt #: 327 total cpu time spent up to now is 144.3 secs Computing kpt #: 328 total cpu time spent up to now is 144.7 secs Computing kpt #: 329 total cpu time spent up to now is 145.1 secs Computing kpt #: 330 total cpu time spent up to now is 145.5 secs Computing kpt #: 331 total cpu time spent up to now is 145.9 secs Computing kpt #: 332 total cpu time spent up to now is 146.3 secs Computing kpt #: 333 total cpu time spent up to now is 146.7 secs Computing kpt #: 334 total cpu time spent up to now is 147.1 secs Computing kpt #: 335 total cpu time spent up to now is 147.5 secs Computing kpt #: 336 total cpu time spent up to now is 147.9 secs Computing kpt #: 337 total cpu time spent up to now is 148.3 secs Computing kpt #: 338 total cpu time spent up to now is 148.7 secs Computing kpt #: 339 total cpu time spent up to now is 149.1 secs Computing kpt #: 340 total cpu time spent up to now is 149.6 secs Computing kpt #: 341 total cpu time spent up to now is 150.0 secs Computing kpt #: 342 total cpu time spent up to now is 150.4 secs Computing kpt #: 343 total cpu time spent up to now is 150.8 secs Computing kpt #: 344 total cpu time spent up to now is 151.2 secs Computing kpt #: 345 total cpu time spent up to now is 151.7 secs Computing kpt #: 346 total cpu time spent up to now is 152.2 secs Computing kpt #: 347 total cpu time spent up to now is 152.6 secs Computing kpt #: 348 total cpu time spent up to now is 153.1 secs Computing kpt #: 349 total cpu time spent up to now is 153.7 secs Computing kpt #: 350 total cpu time spent up to now is 154.3 secs Computing kpt #: 351 total cpu time spent up to now is 154.9 secs Computing kpt #: 352 total cpu time spent up to now is 155.4 secs Computing kpt #: 353 total cpu time spent up to now is 155.9 secs Computing kpt #: 354 total cpu time spent up to now is 156.5 secs Computing kpt #: 355 total cpu time spent up to now is 157.0 secs Computing kpt #: 356 total cpu time spent up to now is 157.4 secs Computing kpt #: 357 total cpu time spent up to now is 157.8 secs Computing kpt #: 358 total cpu time spent up to now is 158.3 secs Computing kpt #: 359 total cpu time spent up to now is 158.8 secs Computing kpt #: 360 total cpu time spent up to now is 159.3 secs Computing kpt #: 361 total cpu time spent up to now is 159.8 secs Computing kpt #: 362 total cpu time spent up to now is 160.3 secs Computing kpt #: 363 total cpu time spent up to now is 160.9 secs Computing kpt #: 364 total cpu time spent up to now is 161.4 secs Computing kpt #: 365 total cpu time spent up to now is 162.0 secs Computing kpt #: 366 total cpu time spent up to now is 162.5 secs Computing kpt #: 367 total cpu time spent up to now is 163.1 secs Computing kpt #: 368 total cpu time spent up to now is 163.6 secs Computing kpt #: 369 total cpu time spent up to now is 164.1 secs Computing kpt #: 370 total cpu time spent up to now is 164.6 secs Computing kpt #: 371 total cpu time spent up to now is 165.0 secs Computing kpt #: 372 total cpu time spent up to now is 165.4 secs Computing kpt #: 373 total cpu time spent up to now is 165.8 secs Computing kpt #: 374 total cpu time spent up to now is 166.3 secs Computing kpt #: 375 total cpu time spent up to now is 166.7 secs Computing kpt #: 376 total cpu time spent up to now is 167.1 secs Computing kpt #: 377 total cpu time spent up to now is 167.5 secs Computing kpt #: 378 total cpu time spent up to now is 168.0 secs Computing kpt #: 379 total cpu time spent up to now is 168.4 secs Computing kpt #: 380 total cpu time spent up to now is 168.7 secs Computing kpt #: 381 total cpu time spent up to now is 169.1 secs Computing kpt #: 382 total cpu time spent up to now is 169.5 secs Computing kpt #: 383 total cpu time spent up to now is 169.9 secs Computing kpt #: 384 total cpu time spent up to now is 170.3 secs Computing kpt #: 385 total cpu time spent up to now is 170.7 secs Computing kpt #: 386 total cpu time spent up to now is 171.1 secs Computing kpt #: 387 total cpu time spent up to now is 171.5 secs Computing kpt #: 388 total cpu time spent up to now is 171.9 secs Computing kpt #: 389 total cpu time spent up to now is 172.3 secs Computing kpt #: 390 total cpu time spent up to now is 172.7 secs Computing kpt #: 391 total cpu time spent up to now is 173.1 secs Computing kpt #: 392 total cpu time spent up to now is 173.4 secs Computing kpt #: 393 total cpu time spent up to now is 173.8 secs Computing kpt #: 394 total cpu time spent up to now is 174.1 secs Computing kpt #: 395 total cpu time spent up to now is 174.5 secs Computing kpt #: 396 total cpu time spent up to now is 174.9 secs Computing kpt #: 397 total cpu time spent up to now is 175.3 secs Computing kpt #: 398 total cpu time spent up to now is 175.6 secs Computing kpt #: 399 total cpu time spent up to now is 176.0 secs Computing kpt #: 400 total cpu time spent up to now is 176.4 secs Computing kpt #: 401 total cpu time spent up to now is 176.7 secs Computing kpt #: 402 total cpu time spent up to now is 177.1 secs Computing kpt #: 403 total cpu time spent up to now is 177.5 secs Computing kpt #: 404 total cpu time spent up to now is 178.7 secs Computing kpt #: 405 total cpu time spent up to now is 179.1 secs Computing kpt #: 406 total cpu time spent up to now is 179.5 secs Computing kpt #: 407 total cpu time spent up to now is 179.9 secs Computing kpt #: 408 total cpu time spent up to now is 180.3 secs Computing kpt #: 409 total cpu time spent up to now is 180.7 secs Computing kpt #: 410 total cpu time spent up to now is 181.1 secs Computing kpt #: 411 total cpu time spent up to now is 181.6 secs Computing kpt #: 412 total cpu time spent up to now is 182.0 secs Computing kpt #: 413 total cpu time spent up to now is 182.4 secs Computing kpt #: 414 total cpu time spent up to now is 182.8 secs Computing kpt #: 415 total cpu time spent up to now is 183.2 secs Computing kpt #: 416 total cpu time spent up to now is 183.6 secs Computing kpt #: 417 total cpu time spent up to now is 184.0 secs Computing kpt #: 418 total cpu time spent up to now is 184.4 secs Computing kpt #: 419 total cpu time spent up to now is 184.8 secs Computing kpt #: 420 total cpu time spent up to now is 185.2 secs Computing kpt #: 421 total cpu time spent up to now is 185.6 secs Computing kpt #: 422 total cpu time spent up to now is 186.0 secs Computing kpt #: 423 total cpu time spent up to now is 186.5 secs Computing kpt #: 424 total cpu time spent up to now is 186.9 secs Computing kpt #: 425 total cpu time spent up to now is 187.4 secs Computing kpt #: 426 total cpu time spent up to now is 187.8 secs Computing kpt #: 427 total cpu time spent up to now is 188.3 secs Computing kpt #: 428 total cpu time spent up to now is 188.7 secs Computing kpt #: 429 total cpu time spent up to now is 189.2 secs Computing kpt #: 430 total cpu time spent up to now is 189.7 secs Computing kpt #: 431 total cpu time spent up to now is 190.2 secs Computing kpt #: 432 total cpu time spent up to now is 190.7 secs Computing kpt #: 433 total cpu time spent up to now is 191.2 secs Computing kpt #: 434 total cpu time spent up to now is 191.7 secs Computing kpt #: 435 total cpu time spent up to now is 192.2 secs Computing kpt #: 436 total cpu time spent up to now is 192.7 secs Computing kpt #: 437 total cpu time spent up to now is 193.3 secs Computing kpt #: 438 total cpu time spent up to now is 193.7 secs Computing kpt #: 439 total cpu time spent up to now is 194.3 secs Computing kpt #: 440 total cpu time spent up to now is 194.8 secs Computing kpt #: 441 total cpu time spent up to now is 195.3 secs Computing kpt #: 442 total cpu time spent up to now is 195.8 secs Computing kpt #: 443 total cpu time spent up to now is 196.3 secs Computing kpt #: 444 total cpu time spent up to now is 197.3 secs Computing kpt #: 445 total cpu time spent up to now is 197.8 secs Computing kpt #: 446 total cpu time spent up to now is 198.3 secs Computing kpt #: 447 total cpu time spent up to now is 198.9 secs Computing kpt #: 448 total cpu time spent up to now is 199.4 secs Computing kpt #: 449 total cpu time spent up to now is 200.0 secs Computing kpt #: 450 total cpu time spent up to now is 200.5 secs Computing kpt #: 451 total cpu time spent up to now is 201.1 secs Computing kpt #: 452 total cpu time spent up to now is 201.6 secs Computing kpt #: 453 total cpu time spent up to now is 202.1 secs Computing kpt #: 454 total cpu time spent up to now is 202.7 secs Computing kpt #: 455 total cpu time spent up to now is 203.2 secs Computing kpt #: 456 total cpu time spent up to now is 203.8 secs ethr = 2.78E-08, avg # of iterations = 15.9 total cpu time spent up to now is 203.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2461 PWs) bands (ev): -3.9816 -3.9816 -0.7871 -0.7871 5.3846 5.3846 6.5286 6.5286 6.8445 6.8445 7.9669 7.9669 8.4562 8.4562 9.0452 9.0452 9.0864 9.0864 9.2499 9.2499 9.5473 9.5473 9.6336 9.6336 9.7553 9.7553 9.9660 9.9660 10.1642 10.1642 10.5770 10.5770 10.6557 10.6557 12.8607 12.8607 14.0205 14.0205 14.4134 14.4134 16.0068 16.0068 17.4537 17.4537 k = 0.0082 0.0093-0.0000 ( 2457 PWs) bands (ev): -3.9805 -3.9805 -0.7878 -0.7878 5.3853 5.3853 6.5269 6.5269 6.8424 6.8424 7.9675 7.9675 8.4549 8.4549 9.0456 9.0456 9.0864 9.0864 9.2503 9.2503 9.5345 9.5345 9.5943 9.5943 9.7740 9.7740 9.9989 9.9989 10.1589 10.1589 10.5826 10.5826 10.6584 10.6584 12.8596 12.8596 14.0218 14.0218 14.4156 14.4156 16.0043 16.0043 17.4473 17.4473 k = 0.0164 0.0187-0.0000 ( 2465 PWs) bands (ev): -3.9772 -3.9772 -0.7896 -0.7896 5.3876 5.3876 6.5218 6.5218 6.8359 6.8359 7.9694 7.9694 8.4506 8.4506 9.0466 9.0466 9.0863 9.0863 9.2515 9.2515 9.4598 9.4598 9.5691 9.5691 9.7915 9.7915 10.0790 10.0790 10.1447 10.1447 10.5961 10.5961 10.6684 10.6684 12.8564 12.8564 14.0255 14.0255 14.4222 14.4222 15.9968 15.9968 17.4284 17.4284 k = 0.0245 0.0280-0.0000 ( 2461 PWs) bands (ev): -3.9717 -3.9717 -0.7928 -0.7928 5.3914 5.3914 6.5135 6.5135 6.8253 6.8253 7.9724 7.9724 8.4436 8.4436 9.0483 9.0483 9.0861 9.0861 9.2535 9.2535 9.3519 9.3519 9.5654 9.5654 9.7999 9.7999 10.1159 10.1159 10.1862 10.1862 10.6094 10.6094 10.6917 10.6917 12.8510 12.8510 14.0318 14.0318 14.4335 14.4335 15.9851 15.9851 17.3974 17.3974 k = 0.0327 0.0374-0.0000 ( 2461 PWs) bands (ev): -3.9641 -3.9641 -0.7971 -0.7971 5.3967 5.3967 6.5018 6.5018 6.8109 6.8109 7.9762 7.9762 8.4338 8.4338 9.0497 9.0497 9.0860 9.0860 9.2390 9.2390 9.2563 9.2563 9.5648 9.5648 9.8046 9.8046 10.0898 10.0898 10.2898 10.2898 10.6190 10.6190 10.7302 10.7302 12.8436 12.8436 14.0409 14.0409 14.4496 14.4496 15.9700 15.9700 17.3550 17.3550 k = 0.0409 0.0467-0.0000 ( 2461 PWs) bands (ev): -3.9542 -3.9542 -0.8028 -0.8028 5.4035 5.4035 6.4869 6.4869 6.7929 6.7929 7.9804 7.9804 8.4212 8.4212 9.0462 9.0462 9.0854 9.0854 9.1320 9.1320 9.2598 9.2598 9.5650 9.5650 9.8078 9.8078 10.0599 10.0599 10.3884 10.3884 10.6302 10.6302 10.7801 10.7801 12.8341 12.8341 14.0531 14.0531 14.4711 14.4711 15.9525 15.9525 17.3023 17.3023 k = 0.0491 0.0560-0.0000 ( 2461 PWs) bands (ev): -3.9422 -3.9422 -0.8096 -0.8096 5.4116 5.4116 6.4688 6.4688 6.7720 6.7720 7.9843 7.9843 8.4060 8.4060 8.9927 8.9927 9.0762 9.0762 9.0865 9.0865 9.2641 9.2641 9.5656 9.5656 9.8101 9.8101 10.0290 10.0290 10.4678 10.4678 10.6551 10.6551 10.8375 10.8375 12.8225 12.8225 14.0687 14.0687 14.4984 14.4984 15.9339 15.9339 17.2403 17.2403 k = 0.0573 0.0654-0.0000 ( 2461 PWs) bands (ev): -3.9281 -3.9281 -0.8177 -0.8177 5.4210 5.4210 6.4474 6.4474 6.7487 6.7487 7.9874 7.9874 8.3882 8.3882 8.8912 8.8912 9.0747 9.0747 9.0856 9.0856 9.2692 9.2692 9.5665 9.5665 9.8119 9.8119 9.9985 9.9985 10.5122 10.5122 10.7084 10.7084 10.9001 10.9001 12.8090 12.8090 14.0882 14.0882 14.5321 14.5321 15.9153 15.9153 17.1701 17.1701 k = 0.0654 0.0747-0.0000 ( 2469 PWs) bands (ev): -3.9118 -3.9118 -0.8271 -0.8271 5.4316 5.4316 6.4227 6.4227 6.7238 6.7238 7.9885 7.9885 8.3679 8.3679 8.7888 8.7888 9.0792 9.0792 9.0853 9.0853 9.2747 9.2747 9.5674 9.5674 9.8127 9.8127 9.9692 9.9692 10.5263 10.5263 10.7841 10.7841 10.9664 10.9664 12.7935 12.7935 14.1120 14.1120 14.5729 14.5729 15.8976 15.8976 17.0928 17.0928 k = 0.0736 0.0841-0.0000 ( 2477 PWs) bands (ev): -3.8934 -3.8934 -0.8377 -0.8377 5.4434 5.4434 6.3943 6.3943 6.6981 6.6981 7.9865 7.9865 8.3457 8.3457 8.6915 8.6915 9.0833 9.0833 9.0870 9.0870 9.2812 9.2812 9.5685 9.5685 9.8119 9.8119 9.9421 9.9421 10.5259 10.5259 10.8657 10.8657 11.0349 11.0349 12.7762 12.7762 14.1407 14.1407 14.6214 14.6214 15.8818 15.8818 17.0096 17.0096 k = 0.0818 0.0934-0.0000 ( 2481 PWs) bands (ev): -3.8729 -3.8729 -0.8495 -0.8495 5.4559 5.4559 6.3621 6.3621 6.6728 6.6728 7.9795 7.9795 8.3220 8.3220 8.6014 8.6014 9.0833 9.0833 9.0936 9.0936 9.2883 9.2883 9.5698 9.5698 9.8085 9.8085 9.9188 9.9188 10.5190 10.5190 10.9448 10.9448 11.1044 11.1044 12.7571 12.7571 14.1747 14.1747 14.6782 14.6782 15.8684 15.8684 16.9215 16.9215 k = 0.0900 0.1028-0.0000 ( 2485 PWs) bands (ev): -3.8504 -3.8504 -0.8626 -0.8626 5.4692 5.4692 6.3261 6.3261 6.6488 6.6488 7.9654 7.9654 8.2980 8.2980 8.5199 8.5199 9.0827 9.0827 9.1016 9.1016 9.2962 9.2962 9.5709 9.5709 9.8007 9.8007 9.9008 9.9008 10.5085 10.5085 11.0179 11.0179 11.1736 11.1736 12.7364 12.7364 14.2147 14.2147 14.7436 14.7436 15.8582 15.8582 16.8293 16.8293 k = 0.0982 0.1121-0.0000 ( 2477 PWs) bands (ev): -3.8258 -3.8258 -0.8769 -0.8769 5.4827 5.4827 6.2862 6.2862 6.6270 6.6270 7.9419 7.9419 8.2756 8.2756 8.4479 8.4479 9.0819 9.0819 9.1104 9.1104 9.3048 9.3048 9.5722 9.5722 9.7877 9.7877 9.8894 9.8894 10.4957 10.4957 11.0836 11.0836 11.2414 11.2414 12.7141 12.7141 14.2611 14.2611 14.8179 14.8179 15.8515 15.8515 16.7340 16.7340 k = 0.1063 0.1214-0.0000 ( 2477 PWs) bands (ev): -3.7992 -3.7992 -0.8923 -0.8923 5.4960 5.4960 6.2430 6.2430 6.6081 6.6081 7.9072 7.9072 8.2563 8.2563 8.3852 8.3852 9.0811 9.0811 9.1195 9.1195 9.3138 9.3138 9.5734 9.5734 9.7698 9.7698 9.8839 9.8839 10.4812 10.4812 11.1409 11.1409 11.3072 11.3072 12.6903 12.6903 14.3146 14.3146 14.9006 14.9006 15.8489 15.8489 16.6362 16.6362 k = 0.1145 0.1308-0.0000 ( 2481 PWs) bands (ev): -3.7706 -3.7706 -0.9089 -0.9089 5.5083 5.5083 6.1973 6.1973 6.5927 6.5927 7.8615 7.8615 8.2411 8.2411 8.3307 8.3307 9.0801 9.0801 9.1290 9.1290 9.3234 9.3234 9.5745 9.5745 9.7492 9.7492 9.8825 9.8825 10.4652 10.4652 11.1889 11.1889 11.3703 11.3703 12.6652 12.6652 14.3757 14.3757 14.9909 14.9909 15.8510 15.8510 16.5367 16.5367 k = 0.1227 0.1401-0.0000 ( 2481 PWs) bands (ev): -3.7401 -3.7401 -0.9267 -0.9267 5.5188 5.5188 6.1505 6.1505 6.5811 6.5811 7.8067 7.8067 8.2289 8.2289 8.2837 8.2837 9.0791 9.0791 9.1387 9.1387 9.3334 9.3334 9.5752 9.5752 9.7275 9.7275 9.8836 9.8836 10.4481 10.4481 11.2271 11.2271 11.4307 11.4307 12.6390 12.6390 14.4447 14.4447 15.0866 15.0866 15.8592 15.8592 16.4361 16.4361 k = 0.1309 0.1495-0.0000 ( 2477 PWs) bands (ev): -3.7078 -3.7078 -0.9456 -0.9456 5.5257 5.5257 6.1046 6.1046 6.5734 6.5734 7.7456 7.7456 8.2127 8.2127 8.2482 8.2482 9.0782 9.0782 9.1487 9.1487 9.3439 9.3439 9.5754 9.5754 9.7061 9.7061 9.8862 9.8862 10.4301 10.4301 11.2553 11.2553 11.4882 11.4882 12.6117 12.6117 14.5220 14.5220 15.1842 15.1842 15.8756 15.8756 16.3351 16.3351 k = 0.1391 0.1588-0.0000 ( 2477 PWs) bands (ev): -3.6735 -3.6735 -0.9656 -0.9656 5.5272 5.5272 6.0621 6.0621 6.5697 6.5697 7.6804 7.6804 8.1808 8.1808 8.2334 8.2334 9.0770 9.0770 9.1586 9.1586 9.3548 9.3548 9.5747 9.5747 9.6860 9.6860 9.8897 9.8897 10.4112 10.4112 11.2737 11.2737 11.5424 11.5424 12.5836 12.5836 14.6078 14.6078 15.2775 15.2775 15.9041 15.9041 16.2345 16.2345 k = 0.1472 0.1681-0.0000 ( 2477 PWs) bands (ev): -3.6375 -3.6375 -0.9867 -0.9867 5.5207 5.5207 6.0261 6.0261 6.5702 6.5702 7.6133 7.6133 8.1418 8.1418 8.2288 8.2288 9.0757 9.0757 9.1687 9.1687 9.3659 9.3659 9.5723 9.5723 9.6681 9.6681 9.8937 9.8937 10.3918 10.3918 11.2827 11.2827 11.5930 11.5930 12.5548 12.5548 14.7022 14.7022 15.3577 15.3577 15.9496 15.9496 16.1370 16.1370 k = 0.1554 0.1775-0.0000 ( 2477 PWs) bands (ev): -3.5997 -3.5997 -1.0087 -1.0087 5.5037 5.5037 5.9998 5.9998 6.5747 6.5747 7.5453 7.5453 8.1016 8.1016 8.2268 8.2268 9.0743 9.0743 9.1786 9.1786 9.3771 9.3771 9.5676 9.5676 9.6535 9.6535 9.8981 9.8981 10.3717 10.3717 11.2831 11.2831 11.6398 11.6398 12.5255 12.5255 14.8051 14.8051 15.4150 15.4150 15.9902 15.9902 16.0717 16.0717 k = 0.1636 0.1868-0.0000 ( 2477 PWs) bands (ev): -3.5603 -3.5603 -1.0317 -1.0317 5.4747 5.4747 5.9853 5.9853 6.5833 6.5833 7.4774 7.4774 8.0611 8.0611 8.2255 8.2255 9.0728 9.0728 9.1885 9.1885 9.3885 9.3885 9.5600 9.5600 9.6430 9.6430 9.9026 9.9026 10.3512 10.3512 11.2756 11.2756 11.6827 11.6827 12.4958 12.4958 14.9162 14.9162 15.4434 15.4434 15.9193 15.9193 16.1488 16.1488 k = 0.1718 0.1962-0.0000 ( 2479 PWs) bands (ev): -3.5192 -3.5192 -1.0556 -1.0556 5.4339 5.4339 5.9827 5.9827 6.5960 6.5960 7.4099 7.4099 8.0205 8.0205 8.2243 8.2243 9.0712 9.0712 9.1981 9.1981 9.3997 9.3997 9.5498 9.5498 9.6366 9.6366 9.9072 9.9072 10.3303 10.3303 11.2611 11.2611 11.7214 11.7214 12.4659 12.4659 15.0348 15.0348 15.4437 15.4437 15.8245 15.8245 16.2777 16.2777 k = 0.1800 0.2055-0.0000 ( 2483 PWs) bands (ev): -3.4766 -3.4766 -1.0804 -1.0804 5.3833 5.3833 5.9908 5.9908 6.6126 6.6126 7.3433 7.3433 7.9798 7.9798 8.2225 8.2225 9.0695 9.0695 9.2073 9.2073 9.4105 9.4105 9.5381 9.5381 9.6335 9.6335 9.9118 9.9118 10.3092 10.3092 11.2402 11.2402 11.7560 11.7560 12.4359 12.4359 15.1590 15.1590 15.4200 15.4200 15.7291 15.7291 16.4293 16.4293 k = 0.1881 0.2148-0.0000 ( 2481 PWs) bands (ev): -3.4325 -3.4325 -1.1059 -1.1059 5.3251 5.3251 6.0076 6.0076 6.6331 6.6331 7.2777 7.2777 7.9391 7.9391 8.2201 8.2201 9.0677 9.0677 9.2162 9.2162 9.4207 9.4207 9.5264 9.5264 9.6328 9.6328 9.9164 9.9164 10.2880 10.2880 11.2140 11.2140 11.7864 11.7864 12.4061 12.4061 15.2780 15.2780 15.3849 15.3849 15.6358 15.6358 16.5958 16.5958 k = 0.1963 0.2242-0.0000 ( 2469 PWs) bands (ev): -3.3870 -3.3870 -1.1322 -1.1322 5.2618 5.2618 6.0311 6.0311 6.6572 6.6572 7.2135 7.2135 7.8984 7.8984 8.2168 8.2168 9.0658 9.0658 9.2247 9.2247 9.4297 9.4297 9.5162 9.5162 9.6335 9.6335 9.9208 9.9208 10.2667 10.2667 11.1831 11.1831 11.8129 11.8129 12.3765 12.3765 15.2846 15.2846 15.4385 15.4385 15.5542 15.5542 16.7720 16.7720 k = 0.2045 0.2335-0.0000 ( 2473 PWs) bands (ev): -3.3401 -3.3401 -1.1590 -1.1590 5.1951 5.1951 6.0599 6.0599 6.6845 6.6845 7.1509 7.1509 7.8577 7.8577 8.2124 8.2124 9.0638 9.0638 9.2324 9.2324 9.4363 9.4363 9.5089 9.5089 9.6351 9.6351 9.9251 9.9251 10.2453 10.2453 11.1481 11.1481 11.8354 11.8354 12.3472 12.3472 15.2064 15.2064 15.4296 15.4296 15.6091 15.6091 16.9530 16.9530 k = 0.2127 0.2429-0.0000 ( 2473 PWs) bands (ev): -3.2920 -3.2920 -1.1865 -1.1865 5.1266 5.1266 6.0926 6.0926 6.7143 6.7143 7.0908 7.0908 7.8170 7.8170 8.2068 8.2068 9.0616 9.0616 9.2395 9.2395 9.4397 9.4397 9.5059 9.5059 9.6374 9.6374 9.9292 9.9292 10.2240 10.2240 11.1097 11.1097 11.8542 11.8542 12.3184 12.3184 15.1083 15.1083 15.3434 15.3434 15.7519 15.7519 17.1327 17.1327 k = 0.2209 0.2522-0.0000 ( 2471 PWs) bands (ev): -3.2428 -3.2428 -1.2144 -1.2144 5.0573 5.0573 6.1285 6.1285 6.7446 6.7446 7.0351 7.0351 7.7765 7.7765 8.2000 8.2000 9.0592 9.0592 9.2459 9.2459 9.4397 9.4397 9.5078 9.5078 9.6401 9.6401 9.9330 9.9330 10.2030 10.2030 11.0685 11.0685 11.8694 11.8694 12.2901 12.2901 14.9962 14.9962 15.2541 15.2541 15.9036 15.9036 17.3016 17.3016 k = 0.2290 0.2615-0.0000 ( 2479 PWs) bands (ev): -3.1924 -3.1924 -1.2427 -1.2427 4.9880 4.9880 6.1668 6.1668 6.7706 6.7706 6.9885 6.9885 7.7361 7.7361 8.1919 8.1919 9.0568 9.0568 9.2515 9.2515 9.4374 9.4374 9.5132 9.5132 9.6430 9.6430 9.9364 9.9364 10.1821 10.1821 11.0250 11.0250 11.8811 11.8811 12.2624 12.2624 14.8730 14.8730 15.1662 15.1662 16.0580 16.0580 17.4471 17.4471 k = 0.2372 0.2709-0.0000 ( 2479 PWs) bands (ev): -3.1412 -3.1412 -1.2714 -1.2714 4.9194 4.9194 6.2065 6.2065 6.7811 6.7811 6.9629 6.9629 7.6961 7.6961 8.1825 8.1825 9.0542 9.0542 9.2563 9.2563 9.4346 9.4346 9.5208 9.5208 9.6460 9.6460 9.9394 9.9394 10.1618 10.1618 10.9797 10.9797 11.8895 11.8895 12.2355 12.2355 14.7411 14.7411 15.0808 15.0808 16.2123 16.2123 17.5617 17.5617 k = 0.2454 0.2802-0.0000 ( 2483 PWs) bands (ev): -3.0891 -3.0891 -1.3002 -1.3002 4.8521 4.8521 6.2468 6.2468 6.7640 6.7640 6.9707 6.9707 7.6566 7.6566 8.1719 8.1719 9.0513 9.0513 9.2604 9.2604 9.4321 9.4321 9.5294 9.5294 9.6492 9.6492 9.9416 9.9416 10.1420 10.1420 10.9331 10.9331 11.8946 11.8946 12.2094 12.2094 14.6027 14.6027 14.9982 14.9982 16.3634 16.3634 17.6531 17.6531 k = 0.2536 0.2896-0.0000 ( 2483 PWs) bands (ev): -3.0362 -3.0362 -1.3292 -1.3292 4.7863 4.7863 6.2860 6.2860 6.7272 6.7272 7.0052 7.0052 7.6174 7.6174 8.1600 8.1600 9.0484 9.0484 9.2637 9.2637 9.4307 9.4307 9.5383 9.5383 9.6523 9.6523 9.9433 9.9433 10.1229 10.1229 10.8855 10.8855 11.8968 11.8968 12.1840 12.1840 14.4601 14.4601 14.9187 14.9187 16.5078 16.5078 17.7345 17.7345 k = 0.2618 0.2989-0.0000 ( 2491 PWs) bands (ev): -2.9828 -2.9828 -1.3583 -1.3583 4.7225 4.7225 6.3212 6.3212 6.6858 6.6858 7.0538 7.0538 7.5789 7.5789 8.1471 8.1471 9.0452 9.0452 9.2663 9.2663 9.4304 9.4304 9.5470 9.5470 9.6554 9.6554 9.9440 9.9440 10.1048 10.1048 10.8373 10.8373 11.8959 11.8959 12.1595 12.1595 14.3149 14.3149 14.8425 14.8425 16.6407 16.6407 17.8145 17.8145 k = 0.2699 0.3083-0.0000 ( 2483 PWs) bands (ev): -2.9288 -2.9288 -1.3873 -1.3873 4.6610 4.6610 6.3468 6.3468 6.6511 6.6511 7.1105 7.1105 7.5412 7.5412 8.1331 8.1331 9.0419 9.0419 9.2687 9.2687 9.4315 9.4315 9.5554 9.5554 9.6584 9.6584 9.9435 9.9435 10.0880 10.0880 10.7888 10.7888 11.8923 11.8923 12.1357 12.1357 14.1687 14.1687 14.7698 14.7698 16.7565 16.7565 17.8969 17.8969 k = 0.2781 0.3176-0.0000 ( 2483 PWs) bands (ev): -2.8745 -2.8745 -1.4162 -1.4162 4.6021 4.6021 6.3542 6.3542 6.6339 6.6339 7.1727 7.1727 7.5044 7.5044 8.1182 8.1182 9.0383 9.0383 9.2708 9.2708 9.4336 9.4336 9.5631 9.5631 9.6612 9.6612 9.9413 9.9413 10.0730 10.0730 10.7402 10.7402 11.8861 11.8861 12.1126 12.1126 14.0228 14.0228 14.7005 14.7005 16.8483 16.8483 17.9828 17.9828 k = 0.2863 0.3269-0.0000 ( 2479 PWs) bands (ev): -2.8201 -2.8201 -1.4449 -1.4449 4.5459 4.5459 6.3368 6.3368 6.6413 6.6413 7.2389 7.2389 7.4692 7.4692 8.1026 8.1026 9.0345 9.0345 9.2729 9.2729 9.4367 9.4367 9.5701 9.5701 9.6638 9.6638 9.9371 9.9371 10.0602 10.0602 10.6920 10.6920 11.8773 11.8773 12.0900 12.0900 13.8784 13.8784 14.6349 14.6349 16.9091 16.9091 18.0723 18.0723 k = 0.2945 0.3363-0.0000 ( 2478 PWs) bands (ev): -2.7655 -2.7655 -1.4733 -1.4733 4.4928 4.4928 6.2984 6.2984 6.6700 6.6700 7.3065 7.3065 7.4376 7.4376 8.0864 8.0864 9.0303 9.0303 9.2750 9.2750 9.4405 9.4405 9.5762 9.5762 9.6663 9.6663 9.9304 9.9304 10.0497 10.0497 10.6443 10.6443 11.8663 11.8663 12.0677 12.0677 13.7362 13.7362 14.5731 14.5731 16.9332 16.9332 18.1650 18.1650 k = 0.3027 0.3456-0.0000 ( 2478 PWs) bands (ev): -2.7110 -2.7110 -1.5013 -1.5013 4.4427 4.4427 6.2472 6.2472 6.7117 6.7117 7.3581 7.3581 7.4266 7.4266 8.0697 8.0697 9.0258 9.0258 9.2773 9.2773 9.4450 9.4450 9.5814 9.5814 9.6684 9.6684 9.9213 9.9213 10.0418 10.0418 10.5972 10.5972 11.8531 11.8531 12.0455 12.0455 13.5970 13.5970 14.5151 14.5151 16.9185 16.9185 18.2602 18.2602 k = 0.3108 0.3550-0.0000 ( 2488 PWs) bands (ev): -2.6568 -2.6568 -1.5288 -1.5288 4.3961 4.3961 6.1887 6.1887 6.7608 6.7608 7.3489 7.3489 7.4809 7.4809 8.0529 8.0529 9.0208 9.0208 9.2798 9.2798 9.4499 9.4499 9.5854 9.5854 9.6701 9.6701 9.9100 9.9100 10.0363 10.0363 10.5510 10.5510 11.8379 11.8379 12.0233 12.0233 13.4614 13.4614 14.4611 14.4611 16.8674 16.8674 18.3579 18.3579 k = 0.3190 0.3643-0.0000 ( 2488 PWs) bands (ev): -2.6030 -2.6030 -1.5558 -1.5558 4.3528 4.3528 6.1261 6.1261 6.8143 6.8143 7.3203 7.3203 7.5587 7.5587 8.0364 8.0364 9.0155 9.0155 9.2829 9.2829 9.4553 9.4553 9.5884 9.5884 9.6714 9.6714 9.8968 9.8968 10.0327 10.0327 10.5061 10.5061 11.8208 11.8208 12.0007 12.0007 13.3300 13.3300 14.4111 14.4111 16.7856 16.7856 18.4581 18.4581 k = 0.3272 0.3736-0.0000 ( 2486 PWs) bands (ev): -2.5498 -2.5498 -1.5822 -1.5822 4.3132 4.3132 6.0609 6.0609 6.8706 6.8706 7.2898 7.2898 7.6418 7.6418 8.0207 8.0207 9.0096 9.0096 9.2863 9.2863 9.4609 9.4609 9.5903 9.5903 9.6725 9.6725 9.8823 9.8823 10.0305 10.0305 10.4625 10.4625 11.8019 11.8019 11.9778 11.9778 13.2031 13.2031 14.3651 14.3651 16.6802 16.6802 18.5605 18.5605 k = 0.3354 0.3830-0.0000 ( 2484 PWs) bands (ev): -2.4974 -2.4974 -1.6078 -1.6078 4.2773 4.2773 5.9939 5.9939 6.9286 6.9286 7.2596 7.2596 7.7267 7.7267 8.0073 8.0073 9.0031 9.0031 9.2901 9.2901 9.4666 9.4666 9.5910 9.5910 9.6731 9.6731 9.8670 9.8670 10.0293 10.0293 10.4206 10.4206 11.7810 11.7810 11.9543 11.9543 13.0811 13.0811 14.3233 14.3233 16.5583 16.5583 18.6646 18.6646 k = 0.3436 0.3923-0.0000 ( 2488 PWs) bands (ev): -2.4459 -2.4459 -1.6327 -1.6327 4.2451 4.2451 5.9256 5.9256 6.9878 6.9878 7.2304 7.2304 7.8088 7.8088 8.0003 8.0003 8.9960 8.9960 9.2943 9.2943 9.4723 9.4723 9.5907 9.5907 9.6733 9.6733 9.8510 9.8510 10.0287 10.0287 10.3803 10.3803 11.7578 11.7578 11.9306 11.9306 12.9643 12.9643 14.2857 14.2857 16.4256 16.4256 18.7660 18.7660 k = 0.3517 0.4017-0.0000 ( 2492 PWs) bands (ev): -2.3955 -2.3955 -1.6568 -1.6568 4.2169 4.2169 5.8564 5.8564 7.0476 7.0476 7.2024 7.2024 7.8737 7.8737 8.0136 8.0136 8.9883 8.9883 9.2988 9.2988 9.4780 9.4780 9.5893 9.5893 9.6731 9.6731 9.8347 9.8347 10.0284 10.0284 10.3418 10.3418 11.7319 11.7319 11.9067 11.9067 12.8529 12.8529 14.2521 14.2521 16.2867 16.2867 18.7796 18.7796 k = 0.3599 0.4110-0.0000 ( 2490 PWs) bands (ev): -2.3464 -2.3464 -1.6799 -1.6799 4.1926 4.1926 5.7866 5.7866 7.1069 7.1069 7.1765 7.1765 7.8986 7.8986 8.0701 8.0701 8.9798 8.9798 9.3037 9.3037 9.4835 9.4835 9.5871 9.5871 9.6725 9.6725 9.8184 9.8184 10.0283 10.0283 10.3055 10.3055 11.7027 11.7027 11.8831 11.8831 12.7472 12.7472 14.2227 14.2227 16.1453 16.1453 18.6408 18.6408 k = 0.3681 0.4203-0.0000 ( 2490 PWs) bands (ev): -2.2989 -2.2989 -1.7021 -1.7021 4.1722 4.1722 5.7165 5.7165 7.1423 7.1423 7.1760 7.1760 7.8964 7.8964 8.1564 8.1564 8.9705 8.9705 9.3090 9.3090 9.4887 9.4887 9.5842 9.5842 9.6715 9.6715 9.8020 9.8020 10.0279 10.0279 10.2716 10.2716 11.6696 11.6696 11.8603 11.8603 12.6472 12.6472 14.1972 14.1972 16.0041 16.0041 18.4952 18.4952 k = 0.3763 0.4297-0.0000 ( 2484 PWs) bands (ev): -2.2530 -2.2530 -1.7232 -1.7232 4.1558 4.1558 5.6463 5.6463 7.1221 7.1221 7.2323 7.2323 7.8859 7.8859 8.2537 8.2537 8.9605 8.9605 9.3146 9.3146 9.4935 9.4935 9.5810 9.5810 9.6702 9.6702 9.7859 9.7859 10.0274 10.0274 10.2402 10.2402 11.6319 11.6319 11.8387 11.8387 12.5531 12.5531 14.1756 14.1756 15.8653 15.8653 18.3541 18.3541 k = 0.3844 0.4390-0.0000 ( 2484 PWs) bands (ev): -2.2089 -2.2089 -1.7433 -1.7433 4.1434 4.1434 5.5763 5.5763 7.0994 7.0994 7.2920 7.2920 7.8729 7.8729 8.3557 8.3557 8.9497 8.9497 9.3203 9.3203 9.4975 9.4975 9.5779 9.5779 9.6684 9.6684 9.7701 9.7701 10.0263 10.0263 10.2114 10.2114 11.5892 11.5892 11.8186 11.8186 12.4650 12.4650 14.1578 14.1578 15.7305 15.7305 18.2188 18.2188 k = 0.3926 0.4484-0.0000 ( 2484 PWs) bands (ev): -2.1670 -2.1670 -1.7622 -1.7622 4.1350 4.1350 5.5068 5.5068 7.0778 7.0778 7.3514 7.3514 7.8593 7.8593 8.4599 8.4599 8.9382 8.9382 9.3262 9.3262 9.5006 9.5006 9.5753 9.5753 9.6664 9.6664 9.7547 9.7547 10.0244 10.0244 10.1857 10.1857 11.5411 11.5411 11.8001 11.8001 12.3828 12.3828 14.1434 14.1434 15.6012 15.6012 18.0898 18.0898 k = 0.4008 0.4577-0.0000 ( 2488 PWs) bands (ev): -2.1273 -2.1273 -1.7799 -1.7799 4.1303 4.1303 5.4381 5.4381 7.0576 7.0576 7.4099 7.4099 7.8459 7.8459 8.5646 8.5646 8.9266 8.9266 9.3322 9.3322 9.5025 9.5025 9.5737 9.5737 9.6640 9.6640 9.7397 9.7397 10.0216 10.0216 10.1631 10.1631 11.4876 11.4876 11.7834 11.7834 12.3068 12.3068 14.1324 14.1324 15.4785 15.4785 17.9678 17.9678 k = 0.4090 0.4670-0.0000 ( 2494 PWs) bands (ev): -2.0899 -2.0899 -1.7964 -1.7964 4.1294 4.1294 5.3705 5.3705 7.0387 7.0387 7.4671 7.4671 7.8329 7.8329 8.6676 8.6676 8.9161 8.9161 9.3382 9.3382 9.5035 9.5035 9.5735 9.5735 9.6615 9.6615 9.7255 9.7255 10.0176 10.0176 10.1438 10.1438 11.4287 11.4287 11.7684 11.7684 12.2368 12.2368 14.1243 14.1243 15.3633 15.3633 17.8530 17.8530 k = 0.4172 0.4764-0.0000 ( 2498 PWs) bands (ev): -2.0552 -2.0552 -1.8116 -1.8116 4.1321 4.1321 5.3044 5.3044 7.0214 7.0214 7.5227 7.5227 7.8207 7.8207 8.7625 8.7625 8.9120 8.9120 9.3443 9.3443 9.5038 9.5038 9.5748 9.5748 9.6590 9.6590 9.7120 9.7120 10.0123 10.0123 10.1282 10.1282 11.3648 11.3648 11.7550 11.7550 12.1728 12.1728 14.1189 14.1189 15.2565 15.2565 17.7459 17.7459 k = 0.4253 0.4857-0.0000 ( 2506 PWs) bands (ev): -2.0232 -2.0232 -1.8255 -1.8255 4.1380 4.1380 5.2403 5.2403 7.0056 7.0056 7.5762 7.5762 7.8093 7.8093 8.8242 8.8242 8.9380 8.9380 9.3502 9.3502 9.5043 9.5043 9.5776 9.5776 9.6568 9.6568 9.6995 9.6995 10.0057 10.0057 10.1160 10.1160 11.2962 11.2962 11.7431 11.7431 12.1150 12.1150 14.1158 14.1158 15.1586 15.1586 17.6470 17.6470 k = 0.4335 0.4951-0.0000 ( 2502 PWs) bands (ev): -1.9941 -1.9941 -1.8380 -1.8380 4.1469 4.1469 5.1788 5.1788 6.9914 6.9914 7.6272 7.6272 7.7989 7.7989 8.8333 8.8333 9.0117 9.0117 9.3560 9.3560 9.5063 9.5063 9.5817 9.5817 9.6552 9.6552 9.6885 9.6885 9.9982 9.9982 10.1068 10.1068 11.2235 11.2235 11.7326 11.7326 12.0632 12.0632 14.1147 14.1147 15.0701 15.0701 17.5567 17.5567 k = 0.4417 0.5044-0.0000 ( 2506 PWs) bands (ev): -1.9680 -1.9680 -1.8492 -1.8492 4.1582 4.1582 5.1204 5.1204 6.9788 6.9788 7.6750 7.6750 7.7895 7.7895 8.8235 8.8235 9.0965 9.0965 9.3615 9.3615 9.5111 9.5111 9.5868 9.5868 9.6542 9.6542 9.6801 9.6801 9.9903 9.9903 10.1002 10.1002 11.1476 11.1476 11.7234 11.7234 12.0175 12.0175 14.1151 14.1151 14.9914 14.9914 17.4754 17.4754 k = 0.4417 0.5044-0.0000 ( 2506 PWs) bands (ev): -1.9680 -1.9680 -1.8492 -1.8492 4.1582 4.1582 5.1204 5.1204 6.9788 6.9788 7.6750 7.6750 7.7895 7.7895 8.8235 8.8235 9.0965 9.0965 9.3615 9.3615 9.5111 9.5111 9.5868 9.5868 9.6542 9.6542 9.6801 9.6801 9.9903 9.9903 10.1002 10.1002 11.1476 11.1476 11.7234 11.7234 12.0175 12.0175 14.1151 14.1151 14.9914 14.9914 17.4754 17.4754 k = 0.4294 0.5044-0.0000 ( 2504 PWs) bands (ev): -1.9893 -1.9893 -1.8381 -1.8381 4.1523 4.1523 5.1585 5.1585 6.9839 6.9839 7.6470 7.6470 7.7944 7.7944 8.8309 8.8309 9.0413 9.0413 9.3582 9.3582 9.5074 9.5074 9.5838 9.5838 9.6547 9.6547 9.6860 9.6860 9.9956 9.9956 10.1043 10.1043 11.1963 11.1963 11.7254 11.7254 12.0512 12.0512 14.1200 14.1200 15.0421 15.0421 17.5279 17.5279 k = 0.4172 0.5044-0.0000 ( 2499 PWs) bands (ev): -2.0173 -2.0173 -1.8226 -1.8226 4.1507 4.1507 5.1988 5.1988 6.9838 6.9838 7.6235 7.6235 7.7975 7.7975 8.8344 8.8344 8.9867 8.9867 9.3553 9.3553 9.5051 9.5051 9.5818 9.5818 9.6552 9.6552 9.6949 9.6949 10.0010 10.0010 10.1096 10.1096 11.2415 11.2415 11.7203 11.7203 12.0967 12.0967 14.1361 14.1361 15.0979 15.0979 17.5854 17.5854 k = 0.4049 0.5044-0.0000 ( 2501 PWs) bands (ev): -2.0485 -2.0485 -1.8060 -1.8060 4.1535 4.1535 5.2411 5.2411 6.9778 6.9778 7.6052 7.6052 7.7989 7.7989 8.8262 8.8262 8.9413 8.9413 9.3526 9.3526 9.5040 9.5040 9.5804 9.5804 9.6557 9.6557 9.7062 9.7062 10.0064 10.0064 10.1163 10.1163 11.2831 11.2831 11.7087 11.7087 12.1533 12.1533 14.1631 14.1631 15.1589 15.1589 17.6479 17.6479 k = 0.3926 0.5044-0.0000 ( 2502 PWs) bands (ev): -2.0812 -2.0812 -1.7899 -1.7899 4.1608 4.1608 5.2848 5.2848 6.9661 6.9661 7.5922 7.5922 7.7987 7.7987 8.7944 8.7944 8.9182 8.9182 9.3502 9.3502 9.5036 9.5036 9.5795 9.5795 9.6564 9.6564 9.7194 9.7194 10.0115 10.0115 10.1248 10.1248 11.3214 11.3214 11.6913 11.6913 12.2203 12.2203 14.2007 14.2007 15.2245 15.2245 17.7153 17.7153 k = 0.3804 0.5044-0.0000 ( 2499 PWs) bands (ev): -2.1147 -2.1147 -1.7749 -1.7749 4.1725 4.1725 5.3297 5.3297 6.9490 6.9490 7.5844 7.5844 7.7975 7.7975 8.7420 8.7420 8.9149 8.9149 9.3481 9.3481 9.5035 9.5035 9.5792 9.5792 9.6573 9.6573 9.7345 9.7345 10.0162 10.0162 10.1356 10.1356 11.3564 11.3564 11.6689 11.6689 12.2967 12.2967 14.2483 14.2483 15.2947 15.2947 17.7876 17.7876 k = 0.3681 0.5044-0.0000 ( 2497 PWs) bands (ev): -2.1486 -2.1486 -1.7613 -1.7613 4.1886 4.1886 5.3753 5.3753 6.9271 6.9271 7.5811 7.5811 7.7956 7.7956 8.6813 8.6813 8.9196 8.9196 9.3463 9.3463 9.5033 9.5033 9.5794 9.5794 9.6584 9.6584 9.7513 9.7513 10.0206 10.0206 10.1487 10.1487 11.3885 11.3885 11.6426 11.6426 12.3817 12.3817 14.3052 14.3052 15.3689 15.3689 17.8647 17.8647 k = 0.3558 0.5044-0.0000 ( 2497 PWs) bands (ev): -2.1827 -2.1827 -1.7492 -1.7492 4.2090 4.2090 5.4213 5.4213 6.9012 6.9012 7.5813 7.5813 7.7936 7.7936 8.6179 8.6179 8.9271 8.9271 9.3449 9.3449 9.5026 9.5026 9.5799 9.5799 9.6596 9.6596 9.7696 9.7696 10.0245 10.0245 10.1644 10.1644 11.4175 11.4175 11.6136 11.6136 12.4743 12.4743 14.3710 14.3710 15.4465 15.4465 17.9464 17.9464 k = 0.3436 0.5044-0.0000 ( 2498 PWs) bands (ev): -2.2167 -2.2167 -1.7387 -1.7387 4.2336 4.2336 5.4671 5.4671 6.8721 6.8721 7.5842 7.5842 7.7920 7.7920 8.5539 8.5539 8.9355 8.9355 9.3438 9.3438 9.5014 9.5014 9.5807 9.5807 9.6609 9.6609 9.7896 9.7896 10.0281 10.0281 10.1827 10.1827 11.4425 11.4425 11.5840 11.5840 12.5735 12.5735 14.4448 14.4448 15.5271 15.5271 18.0327 18.0327 k = 0.3313 0.5044-0.0000 ( 2500 PWs) bands (ev): -2.2504 -2.2504 -1.7298 -1.7298 4.2622 4.2622 5.5124 5.5124 6.8407 6.8407 7.5888 7.5888 7.7914 7.7914 8.4904 8.4904 8.9442 8.9442 9.3430 9.3430 9.4997 9.4997 9.5815 9.5815 9.6622 9.6622 9.8111 9.8111 10.0316 10.0316 10.2037 10.2037 11.4596 11.4596 11.5588 11.5588 12.6788 12.6788 14.5262 14.5262 15.6095 15.6095 18.1231 18.1231 k = 0.3190 0.5044-0.0000 ( 2497 PWs) bands (ev): -2.2838 -2.2838 -1.7224 -1.7224 4.2947 4.2947 5.5566 5.5566 6.8079 6.8079 7.5940 7.5940 7.7924 7.7924 8.4279 8.4279 8.9528 8.9528 9.3425 9.3425 9.4974 9.4974 9.5818 9.5818 9.6635 9.6635 9.8340 9.8340 10.0353 10.0353 10.2275 10.2275 11.4583 11.4583 11.5495 11.5495 12.7892 12.7892 14.6144 14.6144 15.6926 15.6926 18.2163 18.2163 k = 0.3067 0.5044-0.0000 ( 2493 PWs) bands (ev): -2.3167 -2.3167 -1.7166 -1.7166 4.3308 4.3308 5.5995 5.5995 6.7742 6.7742 7.5992 7.5992 7.7955 7.7955 8.3669 8.3669 8.9612 8.9612 9.3425 9.3425 9.4948 9.4948 9.5816 9.5816 9.6648 9.6648 9.8584 9.8584 10.0392 10.0392 10.2541 10.2541 11.4353 11.4353 11.5603 11.5603 12.9042 12.9042 14.7089 14.7089 15.7745 15.7745 18.2480 18.2480 k = 0.2945 0.5044-0.0000 ( 2495 PWs) bands (ev): -2.3491 -2.3491 -1.7122 -1.7122 4.3704 4.3704 5.6404 5.6404 6.7402 6.7402 7.6039 7.6039 7.8009 7.8009 8.3076 8.3076 8.9692 8.9692 9.3426 9.3426 9.4919 9.4919 9.5803 9.5803 9.6660 9.6660 9.8841 9.8841 10.0436 10.0436 10.2834 10.2834 11.4020 11.4020 11.5802 11.5802 13.0232 13.0232 14.8094 14.8094 15.8528 15.8528 18.0687 18.0687 k = 0.2822 0.5044-0.0000 ( 2495 PWs) bands (ev): -2.3807 -2.3807 -1.7091 -1.7091 4.4131 4.4131 5.6791 5.6791 6.7064 6.7064 7.6077 7.6077 7.8085 7.8085 8.2506 8.2506 8.9768 8.9768 9.3431 9.3431 9.4887 9.4887 9.5777 9.5777 9.6671 9.6671 9.9110 9.9110 10.0488 10.0488 10.3156 10.3156 11.3655 11.3655 11.6030 11.6030 13.1456 13.1456 14.9153 14.9153 15.9236 15.9236 17.8905 17.8905 k = 0.2699 0.5044-0.0000 ( 2495 PWs) bands (ev): -2.4116 -2.4116 -1.7072 -1.7072 4.4587 4.4587 5.7151 5.7151 6.6731 6.6731 7.6108 7.6108 7.8181 7.8181 8.1961 8.1961 8.9840 8.9840 9.3437 9.3437 9.4852 9.4852 9.5738 9.5738 9.6680 9.6680 9.9389 9.9389 10.0551 10.0551 10.3506 10.3506 11.3282 11.3282 11.6269 11.6269 13.2709 13.2709 15.0262 15.0262 15.9818 15.9818 17.7296 17.7296 k = 0.2577 0.5044-0.0000 ( 2493 PWs) bands (ev): -2.4417 -2.4417 -1.7065 -1.7065 4.5069 4.5069 5.7481 5.7481 6.6407 6.6407 7.6134 7.6134 7.8287 7.8287 8.1450 8.1450 8.9909 8.9909 9.3446 9.3446 9.4816 9.4816 9.5683 9.5683 9.6688 9.6688 9.9674 9.9674 10.0629 10.0629 10.3884 10.3884 11.2911 11.2911 11.6512 11.6512 13.3984 13.3984 15.1418 15.1418 16.0198 16.0198 17.5944 17.5944 k = 0.2454 0.5044-0.0000 ( 2494 PWs) bands (ev): -2.4708 -2.4708 -1.7068 -1.7068 4.5574 4.5574 5.7776 5.7776 6.6094 6.6094 7.6157 7.6157 7.8392 7.8392 8.0983 8.0983 8.9973 8.9973 9.3456 9.3456 9.4778 9.4778 9.5611 9.5611 9.6694 9.6694 9.9958 9.9958 10.0729 10.0729 10.4290 10.4290 11.2548 11.2548 11.6757 11.6757 13.5276 13.5276 15.2618 15.2618 16.0292 16.0292 17.4942 17.4942 k = 0.2331 0.5044-0.0000 ( 2494 PWs) bands (ev): -2.4989 -2.4989 -1.7080 -1.7080 4.6099 4.6099 5.8036 5.8036 6.5794 6.5794 7.6180 7.6180 7.8472 7.8472 8.0580 8.0580 9.0034 9.0034 9.3467 9.3467 9.4737 9.4737 9.5524 9.5524 9.6699 9.6699 10.0225 10.0225 10.0864 10.0864 10.4722 10.4722 11.2198 11.2198 11.7003 11.7003 13.6576 13.6576 15.3857 15.3857 16.0027 16.0027 17.4363 17.4363 k = 0.2209 0.5044-0.0000 ( 2498 PWs) bands (ev): -2.5259 -2.5259 -1.7099 -1.7099 4.6640 4.6640 5.8258 5.8258 6.5509 6.5509 7.6204 7.6204 7.8495 7.8495 8.0272 8.0272 9.0092 9.0092 9.3480 9.3480 9.4693 9.4693 9.5423 9.5423 9.6702 9.6702 10.0452 10.0452 10.1056 10.1056 10.5182 10.5182 11.1864 11.1864 11.7250 11.7250 13.7878 13.7878 15.5133 15.5133 15.9387 15.9387 17.4225 17.4225 k = 0.2086 0.5044-0.0000 ( 2492 PWs) bands (ev): -2.5518 -2.5518 -1.7125 -1.7125 4.7194 4.7194 5.8441 5.8441 6.5240 6.5240 7.6230 7.6230 7.8422 7.8422 8.0098 8.0098 9.0146 9.0146 9.3494 9.3494 9.4644 9.4644 9.5310 9.5310 9.6705 9.6705 10.0627 10.0627 10.1317 10.1317 10.5665 10.5665 11.1547 11.1547 11.7499 11.7499 13.9173 13.9173 15.6433 15.6433 15.8430 15.8430 17.4475 17.4475 k = 0.1963 0.5044-0.0000 ( 2494 PWs) bands (ev): -2.5765 -2.5765 -1.7157 -1.7157 4.7757 4.7757 5.8584 5.8584 6.4987 6.4987 7.6254 7.6254 7.8246 7.8246 8.0066 8.0066 9.0198 9.0198 9.3507 9.3507 9.4585 9.4585 9.5190 9.5190 9.6707 9.6707 10.0763 10.0763 10.1630 10.1630 10.6171 10.6171 11.1251 11.1251 11.7748 11.7748 14.0449 14.0449 15.7111 15.7111 15.7887 15.7887 17.5011 17.5011 k = 0.1840 0.5044-0.0000 ( 2494 PWs) bands (ev): -2.6000 -2.6000 -1.7192 -1.7192 4.8325 4.8325 5.8689 5.8689 6.4751 6.4751 7.6270 7.6270 7.8009 7.8009 8.0138 8.0138 9.0248 9.0248 9.3521 9.3521 9.4512 9.4512 9.5072 9.5072 9.6708 9.6708 10.0878 10.0878 10.1975 10.1975 10.6696 10.6696 11.0976 11.0976 11.7999 11.7999 14.1693 14.1693 15.5816 15.5816 15.9200 15.9200 17.5714 17.5714 k = 0.1718 0.5044-0.0000 ( 2493 PWs) bands (ev): -2.6222 -2.6222 -1.7231 -1.7231 4.8895 4.8895 5.8758 5.8758 6.4532 6.4532 7.6267 7.6267 7.7764 7.7764 8.0270 8.0270 9.0296 9.0296 9.3534 9.3534 9.4417 9.4417 9.4964 9.4964 9.6708 9.6708 10.0982 10.0982 10.2337 10.2337 10.7237 10.7237 11.0723 11.0723 11.8250 11.8250 14.2890 14.2890 15.4392 15.4392 16.0594 16.0594 17.6444 17.6444 k = 0.1595 0.5044-0.0000 ( 2489 PWs) bands (ev): -2.6430 -2.6430 -1.7272 -1.7272 4.9464 4.9464 5.8791 5.8791 6.4329 6.4329 7.6228 7.6228 7.7555 7.7555 8.0434 8.0434 9.0343 9.0343 9.3546 9.3546 9.4296 9.4296 9.4873 9.4873 9.6708 9.6708 10.1079 10.1079 10.2710 10.2710 10.7789 10.7789 11.0496 11.0496 11.8500 11.8500 14.4019 14.4019 15.2945 15.2945 16.2014 16.2014 17.6994 17.6994 k = 0.1472 0.5044-0.0000 ( 2491 PWs) bands (ev): -2.6625 -2.6625 -1.7315 -1.7315 5.0026 5.0026 5.8792 5.8792 6.4141 6.4141 7.6135 7.6135 7.7410 7.7410 8.0613 8.0613 9.0388 9.0388 9.3555 9.3555 9.4152 9.4152 9.4801 9.4801 9.6708 9.6708 10.1169 10.1169 10.3087 10.3087 10.8343 10.8343 11.0299 11.0299 11.8747 11.8747 14.5055 14.5055 15.1525 15.1525 16.3449 16.3449 17.7085 17.7085 k = 0.1350 0.5044-0.0000 ( 2491 PWs) bands (ev): -2.6805 -2.6805 -1.7357 -1.7357 5.0579 5.0579 5.8764 5.8764 6.3968 6.3968 7.5987 7.5987 7.7338 7.7338 8.0798 8.0798 9.0434 9.0434 9.3558 9.3558 9.3992 9.3992 9.4747 9.4747 9.6708 9.6708 10.1255 10.1255 10.3461 10.3461 10.8879 10.8879 11.0148 11.0148 11.8989 11.8989 14.5954 14.5954 15.0185 15.0185 16.4893 16.4893 17.6678 17.6678 k = 0.1227 0.5044-0.0000 ( 2493 PWs) bands (ev): -2.6971 -2.6971 -1.7399 -1.7399 5.1118 5.1118 5.8710 5.8710 6.3810 6.3810 7.5800 7.5800 7.7325 7.7325 8.0983 8.0983 9.0479 9.0479 9.3542 9.3542 9.3837 9.3837 9.4703 9.4703 9.6707 9.6707 10.1335 10.1335 10.3830 10.3830 10.9327 10.9327 11.0107 11.0107 11.9221 11.9221 14.6609 14.6609 14.9033 14.9033 16.6332 16.6332 17.6067 17.6067 k = 0.1104 0.5044-0.0000 ( 2495 PWs) bands (ev): -2.7122 -2.7122 -1.7439 -1.7439 5.1640 5.1640 5.8633 5.8633 6.3665 6.3665 7.5596 7.5596 7.7349 7.7349 8.1163 8.1163 9.0524 9.0524 9.3472 9.3472 9.3728 9.3728 9.4668 9.4668 9.6707 9.6707 10.1409 10.1409 10.4186 10.4186 10.9501 10.9501 11.0358 11.0358 11.9438 11.9438 14.6640 14.6640 14.8450 14.8450 16.7751 16.7751 17.5505 17.5505 k = 0.0982 0.5044-0.0000 ( 2494 PWs) bands (ev): -2.7257 -2.7257 -1.7477 -1.7477 5.2140 5.2140 5.8537 5.8537 6.3534 6.3534 7.5393 7.5393 7.7394 7.7394 8.1334 8.1334 9.0569 9.0569 9.3332 9.3332 9.3690 9.3690 9.4639 9.4639 9.6706 9.6706 10.1477 10.1477 10.4525 10.4525 10.9464 10.9464 11.0829 11.0829 11.9634 11.9634 14.5894 14.5894 14.8591 14.8591 16.9123 16.9123 17.5126 17.5126 k = 0.0859 0.5044-0.0000 ( 2493 PWs) bands (ev): -2.7378 -2.7378 -1.7512 -1.7512 5.2613 5.2613 5.8426 5.8426 6.3416 6.3416 7.5201 7.5201 7.7448 7.7448 8.1494 8.1494 9.0615 9.0615 9.3163 9.3163 9.3683 9.3683 9.4615 9.4615 9.6706 9.6706 10.1538 10.1538 10.4839 10.4839 10.9384 10.9384 11.1346 11.1346 11.9803 11.9803 14.4977 14.4977 14.8861 14.8861 17.0404 17.0404 17.5007 17.5007 k = 0.0736 0.5044-0.0000 ( 2491 PWs) bands (ev): -2.7483 -2.7483 -1.7543 -1.7543 5.3053 5.3053 5.8304 5.8304 6.3312 6.3312 7.5027 7.5027 7.7503 7.7503 8.1640 8.1640 9.0661 9.0661 9.2993 9.2993 9.3685 9.3685 9.4595 9.4595 9.6705 9.6705 10.1591 10.1591 10.5124 10.5124 10.9304 10.9304 11.1854 11.1854 11.9940 11.9940 14.4120 14.4120 14.9048 14.9048 17.1528 17.1528 17.5200 17.5200 k = 0.0613 0.5044-0.0000 ( 2489 PWs) bands (ev): -2.7572 -2.7572 -1.7571 -1.7571 5.3455 5.3455 5.8175 5.8175 6.3222 6.3222 7.4875 7.4875 7.7557 7.7557 8.1768 8.1768 9.0707 9.0707 9.2833 9.2833 9.3689 9.3689 9.4579 9.4579 9.6705 9.6705 10.1637 10.1637 10.5375 10.5375 10.9235 10.9235 11.2332 11.2332 12.0042 12.0042 14.3377 14.3377 14.9129 14.9129 17.2433 17.2433 17.5722 17.5722 k = 0.0491 0.5044-0.0000 ( 2487 PWs) bands (ev): -2.7644 -2.7644 -1.7594 -1.7594 5.3810 5.3810 5.8046 5.8046 6.3147 6.3147 7.4748 7.4748 7.7604 7.7604 8.1877 8.1877 9.0750 9.0750 9.2690 9.2690 9.3694 9.3694 9.4566 9.4566 9.6704 9.6704 10.1675 10.1675 10.5586 10.5586 10.9179 10.9179 11.2762 11.2762 12.0108 12.0108 14.2767 14.2767 14.9124 14.9124 17.3120 17.3120 17.6488 17.6488 k = 0.0368 0.5044-0.0000 ( 2491 PWs) bands (ev): -2.7701 -2.7701 -1.7613 -1.7613 5.4108 5.4108 5.7926 5.7926 6.3087 6.3087 7.4647 7.4647 7.7642 7.7642 8.1964 8.1964 9.0788 9.0788 9.2569 9.2569 9.3698 9.3698 9.4555 9.4555 9.6704 9.6704 10.1704 10.1704 10.5754 10.5754 10.9136 10.9136 11.3125 11.3125 12.0143 12.0143 14.2296 14.2296 14.9067 14.9067 17.3645 17.3645 17.7331 17.7331 k = 0.0245 0.5044-0.0000 ( 2487 PWs) bands (ev): -2.7742 -2.7742 -1.7626 -1.7626 5.4337 5.4337 5.7826 5.7826 6.3044 6.3044 7.4575 7.4575 7.7670 7.7670 8.2027 8.2027 9.0819 9.0819 9.2477 9.2477 9.3702 9.3702 9.4549 9.4549 9.6703 9.6703 10.1725 10.1725 10.5876 10.5876 10.9106 10.9106 11.3404 11.3404 12.0155 12.0155 14.1963 14.1963 14.8994 14.8994 17.4040 17.4040 17.8082 17.8082 k = 0.0123 0.5044-0.0000 ( 2487 PWs) bands (ev): -2.7767 -2.7767 -1.7634 -1.7634 5.4482 5.4482 5.7758 5.7758 6.3018 6.3018 7.4531 7.4531 7.7688 7.7688 8.2066 8.2066 9.0840 9.0840 9.2419 9.2419 9.3704 9.3704 9.4544 9.4544 9.6703 9.6703 10.1739 10.1739 10.5949 10.5949 10.9089 10.9089 11.3580 11.3580 12.0157 12.0157 14.1766 14.1766 14.8937 14.8937 17.4293 17.4293 17.8601 17.8601 k = 0.0000 0.5044-0.0000 ( 2490 PWs) bands (ev): -2.7775 -2.7775 -1.7637 -1.7637 5.4532 5.4532 5.7734 5.7734 6.3009 6.3009 7.4516 7.4516 7.7694 7.7694 8.2079 8.2079 9.0847 9.0847 9.2399 9.2399 9.3704 9.3704 9.4543 9.4543 9.6703 9.6703 10.1743 10.1743 10.5973 10.5973 10.9083 10.9083 11.3641 11.3641 12.0156 12.0156 14.1700 14.1700 14.8915 14.8915 17.4381 17.4381 17.8787 17.8787 k = 0.0000 0.5044-0.0000 ( 2490 PWs) bands (ev): -2.7775 -2.7775 -1.7637 -1.7637 5.4532 5.4532 5.7734 5.7734 6.3009 6.3009 7.4516 7.4516 7.7694 7.7694 8.2079 8.2079 9.0847 9.0847 9.2399 9.2399 9.3704 9.3704 9.4543 9.4543 9.6703 9.6703 10.1743 10.1743 10.5973 10.5973 10.9083 10.9083 11.3641 11.3641 12.0156 12.0156 14.1700 14.1700 14.8915 14.8915 17.4381 17.4381 17.8787 17.8787 k = 0.0000 0.5044 0.0124 ( 2490 PWs) bands (ev): -2.7767 -2.7767 -1.7636 -1.7636 5.4351 5.4351 5.7785 5.7785 6.3112 6.3112 7.4468 7.4468 7.7717 7.7717 8.2119 8.2119 9.0831 9.0831 9.2380 9.2380 9.3719 9.3719 9.4549 9.4549 9.6699 9.6699 10.1726 10.1726 10.5996 10.5996 10.9073 10.9073 11.3677 11.3677 12.0151 12.0151 14.1742 14.1742 14.8952 14.8952 17.4286 17.4286 17.8575 17.8575 k = 0.0000 0.5044 0.0248 ( 2494 PWs) bands (ev): -2.7743 -2.7743 -1.7633 -1.7633 5.3869 5.3869 5.7886 5.7886 6.3413 6.3413 7.4333 7.4333 7.7785 7.7785 8.2232 8.2232 9.0783 9.0783 9.2325 9.2325 9.3762 9.3762 9.4569 9.4569 9.6688 9.6688 10.1677 10.1677 10.6064 10.6064 10.9044 10.9044 11.3789 11.3789 12.0137 12.0137 14.1868 14.1868 14.9061 14.9061 17.4001 17.4001 17.8000 17.8000 k = 0.0000 0.5044 0.0372 ( 2494 PWs) bands (ev): -2.7702 -2.7702 -1.7629 -1.7629 5.3194 5.3194 5.7950 5.7950 6.3886 6.3886 7.4128 7.4128 7.7891 7.7891 8.2412 8.2412 9.0707 9.0707 9.2240 9.2240 9.3829 9.3829 9.4599 9.4599 9.6670 9.6670 10.1601 10.1601 10.6169 10.6169 10.8997 10.8997 11.3974 11.3974 12.0114 12.0114 14.2077 14.2077 14.9244 14.9244 17.3531 17.3531 17.7192 17.7192 k = 0.0000 0.5044 0.0495 ( 2494 PWs) bands (ev): -2.7646 -2.7646 -1.7624 -1.7624 5.2409 5.2409 5.7931 5.7931 6.4490 6.4490 7.3878 7.3878 7.8032 7.8032 8.2643 8.2643 9.0607 9.0607 9.2129 9.2129 9.3912 9.3912 9.4638 9.4638 9.6647 9.6647 10.1504 10.1504 10.6302 10.6302 10.8931 10.8931 11.4229 11.4229 12.0084 12.0084 14.2368 14.2368 14.9498 14.9498 17.2878 17.2878 17.6279 17.6279 k = 0.0000 0.5044 0.0619 ( 2494 PWs) bands (ev): -2.7574 -2.7574 -1.7618 -1.7618 5.1562 5.1562 5.7817 5.7817 6.5183 6.5183 7.3608 7.3608 7.8202 7.8202 8.2911 8.2911 9.0487 9.0487 9.2000 9.2000 9.4007 9.4007 9.4684 9.4684 9.6618 9.6618 10.1393 10.1393 10.6450 10.6450 10.8850 10.8850 11.4552 11.4552 12.0047 12.0047 14.2740 14.2740 14.9823 14.9823 17.2051 17.2051 17.5354 17.5354 k = 0.0000 0.5044 0.0743 ( 2494 PWs) bands (ev): -2.7487 -2.7487 -1.7612 -1.7612 5.0684 5.0684 5.7612 5.7612 6.5924 6.5924 7.3340 7.3340 7.8404 7.8404 8.3203 8.3203 9.0355 9.0355 9.1857 9.1857 9.4109 9.4109 9.4737 9.4737 9.6586 9.6586 10.1273 10.1273 10.6605 10.6605 10.8753 10.8753 11.4936 11.4936 12.0005 12.0005 14.3189 14.3189 15.0216 15.0216 17.1072 17.1072 17.4469 17.4469 k = 0.0000 0.5044 0.0867 ( 2496 PWs) bands (ev): -2.7383 -2.7383 -1.7605 -1.7605 4.9792 4.9792 5.7322 5.7322 6.6678 6.6678 7.3095 7.3095 7.8637 7.8637 8.3504 8.3504 9.0216 9.0216 9.1703 9.1703 9.4213 9.4213 9.4796 9.4796 9.6551 9.6551 10.1147 10.1147 10.6757 10.6757 10.8645 10.8645 11.5374 11.5374 11.9963 11.9963 14.3714 14.3714 15.0674 15.0674 16.9980 16.9980 17.3641 17.3641 k = 0.0000 0.5044 0.0991 ( 2490 PWs) bands (ev): -2.7265 -2.7265 -1.7599 -1.7599 4.8901 4.8901 5.6954 5.6954 6.7416 6.7416 7.2892 7.2892 7.8906 7.8906 8.3805 8.3805 9.0075 9.0075 9.1544 9.1544 9.4313 9.4313 9.4867 9.4867 9.6515 9.6515 10.1020 10.1020 10.6896 10.6896 10.8529 10.8529 11.5853 11.5853 11.9925 11.9925 14.4313 14.4313 15.1192 15.1192 16.8819 16.8819 17.2869 17.2869 k = 0.0000 0.5044 0.1115 ( 2484 PWs) bands (ev): -2.7132 -2.7132 -1.7594 -1.7594 4.8018 4.8018 5.6514 5.6514 6.8110 6.8110 7.2748 7.2748 7.9212 7.9212 8.4096 8.4096 8.9937 8.9937 9.1384 9.1384 9.4404 9.4404 9.4951 9.4951 9.6481 9.6481 10.0894 10.0894 10.7015 10.7015 10.8410 10.8410 11.6356 11.6356 11.9901 11.9901 14.4980 14.4980 15.1761 15.1761 16.7634 16.7634 17.2146 17.2146 k = 0.0000 0.5044 0.1238 ( 2486 PWs) bands (ev): -2.6984 -2.6984 -1.7592 -1.7592 4.7152 4.7152 5.6008 5.6008 6.8736 6.8736 7.2679 7.2679 7.9555 7.9555 8.4368 8.4368 8.9806 8.9806 9.1228 9.1228 9.4478 9.4478 9.5055 9.5055 9.6447 9.6447 10.0770 10.0770 10.7102 10.7102 10.8299 10.8299 11.6860 11.6860 11.9905 11.9905 14.5712 14.5712 15.2371 15.2371 16.6461 16.6461 17.1470 17.1470 k = 0.0000 0.5044 0.1362 ( 2482 PWs) bands (ev): -2.6822 -2.6822 -1.7592 -1.7592 4.6307 4.6307 5.5440 5.5440 6.9274 6.9274 7.2702 7.2702 7.9934 7.9934 8.4613 8.4613 8.9687 8.9687 9.1084 9.1084 9.4534 9.4534 9.5182 9.5182 9.6418 9.6418 10.0648 10.0648 10.7141 10.7141 10.8209 10.8209 11.7332 11.7332 11.9964 11.9964 14.6504 14.6504 15.3003 15.3003 16.5340 16.5340 17.0839 17.0839 k = 0.0000 0.5044 0.1486 ( 2484 PWs) bands (ev): -2.6646 -2.6646 -1.7595 -1.7595 4.5488 4.5488 5.4819 5.4819 6.9709 6.9709 7.2822 7.2822 8.0346 8.0346 8.4826 8.4826 8.9579 8.9579 9.0961 9.0961 9.4572 9.4572 9.5332 9.5332 9.6393 9.6393 10.0529 10.0529 10.7119 10.7119 10.8156 10.8156 11.7727 11.7727 12.0111 12.0111 14.7350 14.7350 15.3625 15.3625 16.4312 16.4312 17.0256 17.0256 k = 0.0000 0.5044 0.1610 ( 2484 PWs) bands (ev): -2.6457 -2.6457 -1.7603 -1.7603 4.4700 4.4700 5.4150 5.4150 7.0047 7.0047 7.3030 7.3030 8.0782 8.0782 8.5002 8.5002 8.9484 8.9484 9.0870 9.0870 9.4595 9.4595 9.5501 9.5501 9.6375 9.6375 10.0413 10.0413 10.7031 10.7031 10.8145 10.8145 11.8004 11.8004 12.0380 12.0380 14.8242 14.8242 15.4189 15.4189 16.3436 16.3436 16.9726 16.9726 k = 0.0000 0.5044 0.1734 ( 2482 PWs) bands (ev): -2.6255 -2.6255 -1.7617 -1.7617 4.3946 4.3946 5.3441 5.3441 7.0310 7.0310 7.3302 7.3302 8.1228 8.1228 8.5136 8.5136 8.9404 8.9404 9.0823 9.0823 9.4607 9.4607 9.5686 9.5686 9.6370 9.6370 10.0300 10.0300 10.6886 10.6886 10.8167 10.8167 11.8157 11.8157 12.0769 12.0769 14.9172 14.9172 15.4624 15.4624 16.2789 16.2789 16.9254 16.9254 k = 0.0000 0.5044 0.1858 ( 2484 PWs) bands (ev): -2.6041 -2.6041 -1.7637 -1.7637 4.3228 4.3228 5.2699 5.2699 7.0524 7.0524 7.3610 7.3610 8.1668 8.1668 8.5229 8.5229 8.9342 8.9342 9.0827 9.0827 9.4611 9.4611 9.5876 9.5876 9.6386 9.6386 10.0190 10.0190 10.6700 10.6700 10.8206 10.8206 11.8215 11.8215 12.1239 12.1239 15.0127 15.0127 15.4843 15.4843 16.2460 16.2460 16.8846 16.8846 k = 0.0000 0.5044 0.1981 ( 2482 PWs) bands (ev): -2.5815 -2.5815 -1.7664 -1.7664 4.2551 4.2551 5.1931 5.1931 7.0716 7.0716 7.3928 7.3928 8.2080 8.2080 8.5281 8.5281 8.9308 8.9308 9.0886 9.0886 9.4608 9.4608 9.6043 9.6043 9.6453 9.6453 10.0084 10.0084 10.6484 10.6484 10.8253 10.8253 11.8215 11.8215 12.1746 12.1746 15.1089 15.1089 15.4794 15.4794 16.2509 16.2509 16.8511 16.8511 k = 0.0000 0.5044 0.2105 ( 2478 PWs) bands (ev): -2.5578 -2.5578 -1.7699 -1.7699 4.1915 4.1915 5.1144 5.1144 7.0903 7.0903 7.4240 7.4240 8.2441 8.2441 8.5294 8.5294 8.9313 8.9313 9.0999 9.0999 9.4601 9.4601 9.6145 9.6145 9.6615 9.6615 9.9980 9.9980 10.6248 10.6248 10.8299 10.8299 11.8183 11.8183 12.2255 12.2255 15.2028 15.2028 15.4511 15.4511 16.2910 16.2910 16.8260 16.8260 k = 0.0000 0.5044 0.2229 ( 2472 PWs) bands (ev): -2.5331 -2.5331 -1.7744 -1.7744 4.1324 4.1324 5.0345 5.0345 7.1096 7.1096 7.4538 7.4538 8.2733 8.2733 8.5269 8.5269 8.9374 8.9374 9.1159 9.1159 9.4592 9.4592 9.6191 9.6191 9.6864 9.6864 9.9880 9.9880 10.5996 10.5996 10.8339 10.8339 11.8138 11.8138 12.2742 12.2742 15.2848 15.2848 15.4155 15.4155 16.3573 16.3573 16.8105 16.8105 k = 0.0000 0.5044 0.2353 ( 2472 PWs) bands (ev): -2.5074 -2.5074 -1.7799 -1.7799 4.0780 4.0780 4.9539 4.9539 7.1300 7.1300 7.4818 7.4818 8.2942 8.2942 8.5204 8.5204 8.9499 8.9499 9.1358 9.1358 9.4581 9.4581 9.6215 9.6215 9.7164 9.7164 9.9783 9.9783 10.5733 10.5733 10.8372 10.8372 11.8090 11.8090 12.3187 12.3187 15.3056 15.3056 15.4285 15.4285 16.4397 16.4397 16.8059 16.8059 k = 0.0000 0.5044 0.2477 ( 2472 PWs) bands (ev): -2.4808 -2.4808 -1.7866 -1.7866 4.0285 4.0285 4.8733 4.8733 7.1518 7.1518 7.5078 7.5078 8.3066 8.3066 8.5100 8.5100 8.9690 8.9690 9.1587 9.1587 9.4571 9.4571 9.6234 9.6234 9.7501 9.7501 9.9692 9.9692 10.5462 10.5462 10.8394 10.8394 11.8048 11.8048 12.3576 12.3576 15.2625 15.2625 15.4967 15.4967 16.5297 16.5297 16.8137 16.8137 k = 0.0000 0.5044 0.2601 ( 2474 PWs) bands (ev): -2.4535 -2.4535 -1.7944 -1.7944 3.9839 3.9839 4.7931 4.7931 7.1751 7.1751 7.5318 7.5318 8.3114 8.3114 8.4957 8.4957 8.9938 8.9938 9.1838 9.1838 9.4564 9.4564 9.6251 9.6251 9.7866 9.7866 9.9609 9.9609 10.5188 10.5188 10.8405 10.8405 11.8016 11.8016 12.3896 12.3896 15.2114 15.2114 15.5662 15.5662 16.6204 16.6204 16.8347 16.8347 k = 0.0000 0.5044 0.2724 ( 2470 PWs) bands (ev): -2.4254 -2.4254 -1.8034 -1.8034 3.9446 3.9446 4.7139 4.7139 7.1999 7.1999 7.5537 7.5537 8.3098 8.3098 8.4781 8.4781 9.0228 9.0228 9.2104 9.2104 9.4563 9.4563 9.6269 9.6269 9.8247 9.8247 9.9538 9.9538 10.4917 10.4917 10.8402 10.8402 11.8001 11.8001 12.4139 12.4139 15.1644 15.1644 15.6254 15.6254 16.7061 16.7061 16.8682 16.8682 k = 0.0000 0.5044 0.2848 ( 2466 PWs) bands (ev): -2.3968 -2.3968 -1.8138 -1.8138 3.9106 3.9106 4.6360 4.6360 7.2261 7.2261 7.5736 7.5736 8.3034 8.3034 8.4579 8.4579 9.0538 9.0538 9.2375 9.2375 9.4572 9.4572 9.6290 9.6290 9.8621 9.8621 9.9497 9.9497 10.4655 10.4655 10.8384 10.8384 11.8006 11.8006 12.4295 12.4295 15.1251 15.1251 15.6710 15.6710 16.7817 16.7817 16.9112 16.9112 k = 0.0000 0.5044 0.2972 ( 2470 PWs) bands (ev): -2.3676 -2.3676 -1.8256 -1.8256 3.8819 3.8819 4.5599 4.5599 7.2535 7.2535 7.5912 7.5912 8.2934 8.2934 8.4357 8.4357 9.0853 9.0853 9.2639 9.2639 9.4596 9.4596 9.6311 9.6311 9.8922 9.8922 9.9536 9.9536 10.4413 10.4413 10.8350 10.8350 11.8036 11.8036 12.4361 12.4361 15.0954 15.0954 15.7019 15.7019 16.8439 16.8439 16.9563 16.9563 k = 0.0000 0.5044 0.3096 ( 2470 PWs) bands (ev): -2.3381 -2.3381 -1.8388 -1.8388 3.8588 3.8588 4.4860 4.4860 7.2821 7.2821 7.6065 7.6065 8.2812 8.2812 8.4124 8.4124 9.1161 9.1161 9.2883 9.2883 9.4644 9.4644 9.6334 9.6334 9.9051 9.9051 9.9741 9.9741 10.4208 10.4208 10.8297 10.8297 11.8095 11.8095 12.4336 12.4336 15.0762 15.0762 15.7183 15.7183 16.8911 16.8911 16.9930 16.9930 k = 0.0000 0.5044 0.3220 ( 2468 PWs) bands (ev): -2.3082 -2.3082 -1.8534 -1.8534 3.8413 3.8413 4.4146 4.4146 7.3116 7.3116 7.6192 7.6192 8.2677 8.2677 8.3886 8.3886 9.1453 9.1453 9.3093 9.3093 9.4726 9.4726 9.6358 9.6358 9.9058 9.9058 10.0033 10.0033 10.4061 10.4061 10.8225 10.8225 11.8185 11.8185 12.4220 12.4220 15.0681 15.0681 15.7214 15.7214 16.9233 16.9233 17.0122 17.0122 k = 0.0000 0.5044 0.3344 ( 2464 PWs) bands (ev): -2.2782 -2.2782 -1.8695 -1.8695 3.8293 3.8293 4.3460 4.3460 7.3418 7.3418 7.6291 7.6291 8.2540 8.2540 8.3648 8.3648 9.1726 9.1726 9.3256 9.3256 9.4849 9.4849 9.6381 9.6381 9.9033 9.9033 10.0290 10.0290 10.4002 10.4002 10.8130 10.8130 11.8311 11.8311 12.4021 12.4021 15.0707 15.0707 15.7125 15.7125 16.9417 16.9417 17.0122 17.0122 k = 0.0000 0.5044 0.3468 ( 2466 PWs) bands (ev): -2.2481 -2.2481 -1.8869 -1.8869 3.8229 3.8229 4.2806 4.2806 7.3724 7.3724 7.6356 7.6356 8.2410 8.2410 8.3416 8.3416 9.1976 9.1976 9.3365 9.3365 9.5013 9.5013 9.6402 9.6402 9.9007 9.9007 10.0450 10.0450 10.4058 10.4058 10.8012 10.8012 11.8474 11.8474 12.3746 12.3746 15.0837 15.0837 15.6930 15.6930 16.9483 16.9483 16.9988 16.9988 k = 0.0000 0.5044 0.3591 ( 2468 PWs) bands (ev): -2.2181 -2.2181 -1.9059 -1.9059 3.8222 3.8222 4.2186 4.2186 7.4032 7.4032 7.6386 7.6386 8.2293 8.2293 8.3192 8.3192 9.2204 9.2204 9.3423 9.3423 9.5210 9.5210 9.6419 9.6419 9.8993 9.8993 10.0491 10.0491 10.4236 10.4236 10.7868 10.7868 11.8678 11.8678 12.3406 12.3406 15.1062 15.1062 15.6644 15.6644 16.9456 16.9456 16.9797 16.9797 k = 0.0000 0.5044 0.3715 ( 2472 PWs) bands (ev): -2.1882 -2.1882 -1.9261 -1.9261 3.8270 3.8270 4.1603 4.1603 7.4339 7.4339 7.6376 7.6376 8.2199 8.2199 8.2981 8.2981 9.2411 9.2411 9.3441 9.3441 9.5423 9.5423 9.6431 9.6431 9.8997 9.8997 10.0425 10.0425 10.4516 10.4516 10.7696 10.7696 11.8923 11.8923 12.3014 12.3014 15.1372 15.1372 15.6279 15.6279 16.9361 16.9361 16.9609 16.9609 k = 0.0000 0.5044 0.3839 ( 2474 PWs) bands (ev): -2.1587 -2.1587 -1.9478 -1.9478 3.8374 3.8374 4.1059 4.1059 7.4641 7.4641 7.6324 7.6324 8.2135 8.2135 8.2785 8.2785 9.2597 9.2597 9.3426 9.3426 9.5636 9.5636 9.6432 9.6432 9.9028 9.9028 10.0283 10.0283 10.4863 10.4863 10.7494 10.7494 11.9211 11.9211 12.2584 12.2584 15.1755 15.1755 15.5849 15.5849 16.9234 16.9234 16.9448 16.9448 k = 0.0000 0.5044 0.3963 ( 2470 PWs) bands (ev): -2.1296 -2.1296 -1.9706 -1.9706 3.8532 3.8532 4.0557 4.0557 7.4934 7.4934 7.6230 7.6230 8.2103 8.2103 8.2608 8.2608 9.2762 9.2762 9.3386 9.3386 9.5835 9.5835 9.6422 9.6422 9.9091 9.9091 10.0095 10.0095 10.5244 10.5244 10.7261 10.7261 11.9540 11.9540 12.2129 12.2129 15.2199 15.2199 15.5368 15.5368 16.9120 16.9120 16.9308 16.9308 k = 0.0000 0.5044 0.4087 ( 2474 PWs) bands (ev): -2.1010 -2.1010 -1.9947 -1.9947 3.8743 3.8743 4.0099 4.0099 7.5213 7.5213 7.6094 7.6094 8.2106 8.2106 8.2453 8.2453 9.2909 9.2909 9.3325 9.3325 9.6010 9.6010 9.6394 9.6394 9.9187 9.9187 9.9887 9.9887 10.5632 10.5632 10.6995 10.6995 11.9908 11.9908 12.1662 12.1662 15.2689 15.2689 15.4849 15.4849 16.9045 16.9045 16.9189 16.9189 k = 0.0000 0.5044 0.4211 ( 2476 PWs) bands (ev): -2.0732 -2.0732 -2.0199 -2.0199 3.9007 3.9007 3.9687 3.9687 7.5474 7.5474 7.5920 7.5920 8.2145 8.2145 8.2321 8.2321 9.3038 9.3038 9.3247 9.3247 9.6154 9.6154 9.6343 9.6343 9.9320 9.9320 9.9679 9.9679 10.6010 10.6010 10.6697 10.6697 12.0311 12.0311 12.1197 12.1197 15.3214 15.3214 15.4308 15.4308 16.9016 16.9016 16.9095 16.9095 k = 0.0000 0.5044 0.4334 ( 2480 PWs) bands (ev): -2.0461 -2.0461 -2.0461 -2.0461 3.9322 3.9322 3.9322 3.9322 7.5712 7.5712 7.5712 7.5712 8.2217 8.2217 8.2217 8.2217 9.3151 9.3151 9.3151 9.3151 9.6265 9.6265 9.6265 9.6265 9.9486 9.9486 9.9486 9.9486 10.6367 10.6367 10.6367 10.6367 12.0743 12.0743 12.0743 12.0743 15.3758 15.3758 15.3758 15.3758 16.9035 16.9035 16.9035 16.9035 k = 0.0000 0.5044 0.4334 ( 2480 PWs) bands (ev): -2.0461 -2.0461 -2.0461 -2.0461 3.9322 3.9322 3.9322 3.9322 7.5712 7.5712 7.5712 7.5712 8.2217 8.2217 8.2217 8.2217 9.3151 9.3151 9.3151 9.3151 9.6265 9.6265 9.6265 9.6265 9.9486 9.9486 9.9486 9.9486 10.6367 10.6367 10.6367 10.6367 12.0743 12.0743 12.0743 12.0743 15.3758 15.3758 15.3758 15.3758 16.9035 16.9035 16.9035 16.9035 k = 0.0123 0.5044 0.4334 ( 2472 PWs) bands (ev): -2.0456 -2.0456 -2.0456 -2.0456 3.9329 3.9329 3.9342 3.9342 7.5611 7.5611 7.5746 7.5746 8.2185 8.2185 8.2242 8.2242 9.3091 9.3091 9.3213 9.3213 9.6217 9.6217 9.6317 9.6317 9.9468 9.9468 9.9497 9.9497 10.6282 10.6282 10.6374 10.6374 12.0609 12.0609 12.0875 12.0875 15.3661 15.3661 15.3864 15.3864 16.9087 16.9087 16.9104 16.9104 k = 0.0245 0.5044 0.4334 ( 2470 PWs) bands (ev): -2.0442 -2.0442 -2.0441 -2.0441 3.9362 3.9362 3.9387 3.9387 7.5447 7.5447 7.5714 7.5714 8.2143 8.2143 8.2257 8.2257 9.3034 9.3034 9.3277 9.3277 9.6173 9.6173 9.6371 9.6371 9.9441 9.9441 9.9500 9.9500 10.6123 10.6123 10.6303 10.6303 12.0477 12.0477 12.0999 12.0999 15.3581 15.3581 15.3978 15.3978 16.9256 16.9256 16.9294 16.9294 k = 0.0368 0.5044 0.4334 ( 2468 PWs) bands (ev): -2.0418 -2.0418 -2.0416 -2.0416 3.9421 3.9421 3.9459 3.9459 7.5219 7.5219 7.5616 7.5616 8.2094 8.2094 8.2262 8.2262 9.2980 9.2980 9.3342 9.3342 9.6132 9.6132 9.6429 9.6429 9.9405 9.9405 9.9496 9.9496 10.5899 10.5899 10.6157 10.6157 12.0342 12.0342 12.1102 12.1102 15.3529 15.3529 15.4104 15.4104 16.9534 16.9534 16.9601 16.9601 k = 0.0491 0.5044 0.4334 ( 2466 PWs) bands (ev): -2.0384 -2.0384 -2.0381 -2.0381 3.9506 3.9506 3.9557 3.9557 7.4930 7.4930 7.5452 7.5452 8.2036 8.2036 8.2258 8.2258 9.2929 9.2929 9.3406 9.3406 9.6095 9.6095 9.6489 9.6489 9.9359 9.9359 9.9483 9.9483 10.5620 10.5620 10.5946 10.5946 12.0196 12.0196 12.1169 12.1169 15.3522 15.3522 15.4249 15.4249 16.9909 16.9909 17.0018 17.0018 k = 0.0613 0.5044 0.4334 ( 2464 PWs) bands (ev): -2.0341 -2.0341 -2.0337 -2.0337 3.9617 3.9617 3.9681 3.9681 7.4582 7.4582 7.5223 7.5223 8.1970 8.1970 8.2243 8.2243 9.2882 9.2882 9.3469 9.3469 9.6062 9.6062 9.6552 9.6552 9.9304 9.9304 9.9463 9.9463 10.5299 10.5299 10.5681 10.5681 12.0029 12.0029 12.1184 12.1184 15.3573 15.3573 15.4426 15.4426 17.0372 17.0372 17.0534 17.0534 k = 0.0736 0.5044 0.4334 ( 2462 PWs) bands (ev): -2.0288 -2.0288 -2.0284 -2.0284 3.9753 3.9753 3.9832 3.9832 7.4178 7.4178 7.4930 7.4930 8.1897 8.1897 8.2218 8.2218 9.2839 9.2839 9.3531 9.3531 9.6032 9.6032 9.6617 9.6617 9.9237 9.9237 9.9434 9.9434 10.4948 10.4948 10.5375 10.5375 11.9829 11.9829 12.1134 12.1134 15.3699 15.3699 15.4643 15.4643 17.0910 17.0910 17.1139 17.1139 k = 0.0859 0.5044 0.4334 ( 2466 PWs) bands (ev): -2.0227 -2.0227 -2.0222 -2.0222 3.9915 3.9915 4.0008 4.0008 7.3719 7.3719 7.4577 7.4577 8.1815 8.1815 8.2182 8.2182 9.2800 9.2800 9.3590 9.3590 9.6004 9.6004 9.6683 9.6683 9.9159 9.9159 9.9395 9.9395 10.4579 10.4579 10.5041 10.5041 11.9585 11.9585 12.1005 12.1005 15.3908 15.3908 15.4911 15.4911 17.1517 17.1517 17.1823 17.1823 k = 0.0982 0.5044 0.4334 ( 2468 PWs) bands (ev): -2.0157 -2.0157 -2.0152 -2.0152 4.0101 4.0101 4.0210 4.0210 7.3211 7.3211 7.4167 7.4167 8.1725 8.1725 8.2136 8.2136 9.2763 9.2763 9.3645 9.3645 9.5981 9.5981 9.6750 9.6750 9.9068 9.9068 9.9347 9.9347 10.4204 10.4204 10.4692 10.4692 11.9289 11.9289 12.0791 12.0791 15.4206 15.4206 15.5237 15.5237 17.2184 17.2184 17.2580 17.2580 k = 0.1104 0.5044 0.4334 ( 2468 PWs) bands (ev): -2.0078 -2.0078 -2.0072 -2.0072 4.0313 4.0313 4.0438 4.0438 7.2656 7.2656 7.3703 7.3703 8.1625 8.1625 8.2078 8.2078 9.2731 9.2731 9.3695 9.3695 9.5960 9.5960 9.6818 9.6818 9.8964 9.8964 9.9288 9.9288 10.3832 10.3832 10.4339 10.4339 11.8933 11.8933 12.0488 12.0488 15.4595 15.4595 15.5621 15.5621 17.2907 17.2907 17.3404 17.3404 k = 0.1227 0.5044 0.4334 ( 2470 PWs) bands (ev): -1.9991 -1.9991 -1.9985 -1.9985 4.0548 4.0548 4.0691 4.0691 7.2058 7.2058 7.3190 7.3190 8.1515 8.1515 8.2008 8.2008 9.2701 9.2701 9.3741 9.3741 9.5941 9.5941 9.6885 9.6885 9.8847 9.8847 9.9217 9.9217 10.3472 10.3472 10.3992 10.3992 11.8517 11.8517 12.0095 12.0095 15.5070 15.5070 15.6063 15.6063 17.3686 17.3686 17.4291 17.4291 k = 0.1350 0.5044 0.4334 ( 2474 PWs) bands (ev): -1.9897 -1.9897 -1.9890 -1.9890 4.0807 4.0807 4.0969 4.0969 7.1422 7.1422 7.2633 7.2633 8.1393 8.1393 8.1926 8.1926 9.2674 9.2674 9.3780 9.3780 9.5924 9.5924 9.6950 9.6950 9.8718 9.8718 9.9135 9.9135 10.3131 10.3131 10.3659 10.3659 11.8040 11.8040 11.9619 11.9619 15.5621 15.5621 15.6558 15.6558 17.4519 17.4519 17.5240 17.5240 k = 0.1472 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.9796 -1.9796 -1.9789 -1.9789 4.1090 4.1090 4.1272 4.1272 7.0752 7.0752 7.2037 7.2037 8.1259 8.1259 8.1831 8.1831 9.2649 9.2649 9.3812 9.3812 9.5908 9.5908 9.7011 9.7011 9.8579 9.8579 9.9041 9.9041 10.2814 10.2814 10.3344 10.3344 11.7507 11.7507 11.9065 11.9065 15.6236 15.6236 15.7097 15.7097 17.5409 17.5409 17.6251 17.6251 k = 0.1595 0.5044 0.4334 ( 2482 PWs) bands (ev): -1.9688 -1.9688 -1.9680 -1.9680 4.1395 4.1395 4.1599 4.1599 7.0054 7.0054 7.1407 7.1407 8.1112 8.1112 8.1722 8.1722 9.2626 9.2626 9.3837 9.3837 9.5892 9.5892 9.7064 9.7064 9.8434 9.8434 9.8935 9.8935 10.2526 10.2526 10.3051 10.3051 11.6921 11.6921 11.8444 11.8444 15.6901 15.6901 15.7672 15.7672 17.6357 17.6357 17.7325 17.7325 k = 0.1718 0.5044 0.4334 ( 2480 PWs) bands (ev): -1.9574 -1.9574 -1.9566 -1.9566 4.1722 4.1722 4.1950 4.1950 6.9331 6.9331 7.0750 7.0750 8.0951 8.0951 8.1600 8.1600 9.2604 9.2604 9.3853 9.3853 9.5876 9.5876 9.7103 9.7103 9.8292 9.8292 9.8819 9.8819 10.2268 10.2268 10.2784 10.2784 11.6292 11.6292 11.7767 11.7767 15.7599 15.7599 15.8271 15.8271 17.7366 17.7366 17.8462 17.8462 k = 0.1840 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.9455 -1.9455 -1.9446 -1.9446 4.2070 4.2070 4.2325 4.2325 6.8590 6.8590 7.0071 7.0071 8.0774 8.0774 8.1462 8.1462 9.2582 9.2582 9.3860 9.3860 9.5858 9.5858 9.7117 9.7117 9.8163 9.8163 9.8696 9.8696 10.2041 10.2041 10.2541 10.2541 11.5625 11.5625 11.7044 11.7044 15.8316 15.8316 15.8883 15.8883 17.8438 17.8438 17.9664 17.9664 k = 0.1963 0.5044 0.4334 ( 2476 PWs) bands (ev): -1.9330 -1.9330 -1.9321 -1.9321 4.2439 4.2439 4.2722 4.2722 6.7835 6.7835 6.9376 6.9376 8.0580 8.0580 8.1307 8.1307 9.2561 9.2561 9.3857 9.3857 9.5837 9.5837 9.7093 9.7093 9.8065 9.8065 9.8568 9.8568 10.1845 10.1845 10.2322 10.2322 11.4930 11.4930 11.6286 11.6286 15.9036 15.9036 15.9498 15.9498 17.9574 17.9574 18.0930 18.0930 k = 0.2086 0.5044 0.4334 ( 2476 PWs) bands (ev): -1.9202 -1.9202 -1.9193 -1.9193 4.2826 4.2826 4.3141 4.3141 6.7070 6.7070 6.8671 6.8671 8.0367 8.0367 8.1136 8.1136 9.2538 9.2538 9.3842 9.3842 9.5812 9.5812 9.7019 9.7019 9.8012 9.8012 9.8440 9.8440 10.1677 10.1677 10.2125 10.2125 11.4215 11.4215 11.5504 11.5504 15.9747 15.9747 16.0106 16.0106 18.0774 18.0774 18.2257 18.2257 k = 0.2209 0.5044 0.4334 ( 2474 PWs) bands (ev): -1.9070 -1.9070 -1.9061 -1.9061 4.3231 4.3231 4.3582 4.3582 6.6302 6.6302 6.7963 6.7963 8.0135 8.0135 8.0945 8.0945 9.2514 9.2514 9.3815 9.3815 9.5782 9.5782 9.6898 9.6898 9.8005 9.8005 9.8316 9.8316 10.1535 10.1535 10.1947 10.1947 11.3488 11.3488 11.4708 11.4708 16.0438 16.0438 16.0699 16.0699 18.2035 18.2035 18.3642 18.3642 k = 0.2331 0.5044 0.4334 ( 2474 PWs) bands (ev): -1.8936 -1.8936 -1.8926 -1.8926 4.3653 4.3653 4.4042 4.4042 6.5535 6.5535 6.7257 6.7257 7.9882 7.9882 8.0735 8.0735 9.2487 9.2487 9.3774 9.3774 9.5749 9.5749 9.6742 9.6742 9.8033 9.8033 9.8200 9.8200 10.1416 10.1416 10.1787 10.1787 11.2757 11.2757 11.3907 11.3907 16.1100 16.1100 16.1271 16.1271 18.3353 18.3353 18.5078 18.5078 k = 0.2454 0.5044 0.4334 ( 2476 PWs) bands (ev): -1.8800 -1.8800 -1.8790 -1.8790 4.4089 4.4089 4.4522 4.4522 6.4774 6.4774 6.6559 6.6559 7.9606 7.9606 8.0504 8.0504 9.2458 9.2458 9.3720 9.3720 9.5710 9.5710 9.6565 9.6565 9.8085 9.8085 9.8094 9.8094 10.1317 10.1317 10.1640 10.1640 11.2029 11.2029 11.3109 11.3109 16.1727 16.1727 16.1817 16.1817 18.4719 18.4719 18.6559 18.6559 k = 0.2577 0.5044 0.4334 ( 2476 PWs) bands (ev): -1.8663 -1.8663 -1.8653 -1.8653 4.4537 4.4537 4.5019 4.5019 6.4024 6.4024 6.5875 6.5875 7.9307 7.9307 8.0250 8.0250 9.2425 9.2425 9.3651 9.3651 9.5669 9.5669 9.6381 9.6381 9.8002 9.8002 9.8152 9.8152 10.1235 10.1235 10.1505 10.1505 11.1310 11.1310 11.2320 11.2320 16.2315 16.2315 16.2332 16.2332 18.6126 18.6126 18.8073 18.8073 k = 0.2699 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.8526 -1.8526 -1.8516 -1.8516 4.4996 4.4996 4.5532 4.5532 6.3290 6.3290 6.5211 6.5211 7.8984 7.8984 7.9974 7.9974 9.2389 9.2389 9.3567 9.3567 9.5626 9.5626 9.6196 9.6196 9.7924 9.7924 9.8229 9.8229 10.1168 10.1168 10.1379 10.1379 11.0607 11.0607 11.1548 11.1548 16.2815 16.2815 16.2860 16.2860 18.7562 18.7562 18.9609 18.9609 k = 0.2822 0.5044 0.4334 ( 2482 PWs) bands (ev): -1.8390 -1.8390 -1.8379 -1.8379 4.5461 4.5461 4.6058 4.6058 6.2577 6.2577 6.4574 6.4574 7.8637 7.8637 7.9673 7.9673 9.2349 9.2349 9.3470 9.3470 9.5581 9.5581 9.6015 9.6015 9.7860 9.7860 9.8312 9.8312 10.1113 10.1113 10.1261 10.1261 10.9924 10.9924 11.0799 11.0799 16.3264 16.3264 16.3361 16.3361 18.9015 18.9015 19.1153 19.1153 k = 0.2945 0.5044 0.4334 ( 2484 PWs) bands (ev): -1.8255 -1.8255 -1.8245 -1.8245 4.5931 4.5931 4.6594 4.6594 6.1891 6.1891 6.3969 6.3969 7.8264 7.8264 7.9347 7.9347 9.2304 9.2304 9.3360 9.3360 9.5537 9.5537 9.5842 9.5842 9.7811 9.7811 9.8399 9.8399 10.1070 10.1070 10.1149 10.1149 10.9265 10.9265 11.0075 11.0075 16.3677 16.3677 16.3817 16.3817 19.0473 19.0473 19.2690 19.2690 k = 0.3067 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.8124 -1.8124 -1.8113 -1.8113 4.6401 4.6401 4.7138 4.7138 6.1237 6.1237 6.3403 6.3403 7.7867 7.7867 7.8996 7.8996 9.2255 9.2255 9.3239 9.3239 9.5496 9.5496 9.5681 9.5681 9.7774 9.7774 9.8491 9.8491 10.1038 10.1038 10.1041 10.1041 10.8635 10.8635 10.9382 10.9382 16.4055 16.4055 16.4229 16.4229 19.1922 19.1922 19.4207 19.4207 k = 0.3190 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.7995 -1.7995 -1.7985 -1.7985 4.6866 4.6866 4.7684 4.7684 6.0623 6.0623 6.2883 6.2883 7.7445 7.7445 7.8621 7.8621 9.2202 9.2202 9.3110 9.3110 9.5457 9.5457 9.5531 9.5531 9.7748 9.7748 9.8584 9.8584 10.0937 10.0937 10.1014 10.1014 10.8036 10.8036 10.8721 10.8721 16.4397 16.4397 16.4598 16.4598 19.3351 19.3351 19.5690 19.5690 k = 0.3313 0.5044 0.4334 ( 2478 PWs) bands (ev): -1.7872 -1.7872 -1.7861 -1.7861 4.7321 4.7321 4.8227 4.8227 6.0054 6.0054 6.2415 6.2415 7.6999 7.6999 7.8220 7.8220 9.2146 9.2146 9.2976 9.2976 9.5396 9.5396 9.5420 9.5420 9.7732 9.7732 9.8678 9.8678 10.0836 10.0836 10.0998 10.0998 10.7469 10.7469 10.8095 10.8095 16.4704 16.4704 16.4924 16.4924 19.4749 19.4749 19.7125 19.7125 k = 0.3436 0.5044 0.4334 ( 2482 PWs) bands (ev): -1.7754 -1.7754 -1.7744 -1.7744 4.7761 4.7761 4.8760 4.8760 5.9541 5.9541 6.2007 6.2007 7.6531 7.6531 7.7796 7.7796 9.2087 9.2087 9.2839 9.2839 9.5275 9.5275 9.5386 9.5386 9.7724 9.7724 9.8773 9.8773 10.0737 10.0737 10.0990 10.0990 10.6937 10.6937 10.7505 10.7505 16.4974 16.4974 16.5207 16.5207 19.6107 19.6107 19.8503 19.8503 k = 0.3558 0.5044 0.4334 ( 2482 PWs) bands (ev): -1.7642 -1.7642 -1.7632 -1.7632 4.8179 4.8179 4.9272 4.9272 5.9093 5.9093 6.1667 6.1667 7.6043 7.6043 7.7349 7.7349 9.2026 9.2026 9.2702 9.2702 9.5168 9.5168 9.5355 9.5355 9.7724 9.7724 9.8868 9.8868 10.0640 10.0640 10.0989 10.0989 10.6441 10.6441 10.6951 10.6951 16.5209 16.5209 16.5449 16.5449 19.7417 19.7417 19.9818 19.9818 k = 0.3681 0.5044 0.4334 ( 2486 PWs) bands (ev): -1.7538 -1.7538 -1.7528 -1.7528 4.8568 4.8568 4.9752 4.9752 5.8724 5.8724 6.1400 6.1400 7.5538 7.5538 7.6883 7.6883 9.1966 9.1966 9.2569 9.2569 9.5075 9.5075 9.5326 9.5326 9.7730 9.7730 9.8962 9.8962 10.0546 10.0546 10.0994 10.0994 10.5980 10.5980 10.6434 10.6434 16.5408 16.5408 16.5651 16.5651 19.8677 19.8677 20.1066 20.1066 k = 0.3804 0.5044 0.4334 ( 2484 PWs) bands (ev): -1.7442 -1.7442 -1.7432 -1.7432 4.8921 4.8921 5.0184 5.0184 5.8447 5.8447 6.1214 6.1214 7.5019 7.5019 7.6400 7.6400 9.1907 9.1907 9.2442 9.2442 9.4997 9.4997 9.5299 9.5299 9.7742 9.7742 9.9055 9.9055 10.0454 10.0454 10.1005 10.1005 10.5553 10.5553 10.5952 10.5952 16.5572 16.5572 16.5813 16.5813 19.9881 19.9881 20.2245 20.2245 k = 0.3926 0.5044 0.4334 ( 2486 PWs) bands (ev): -1.7355 -1.7355 -1.7346 -1.7346 4.9234 4.9234 5.0554 5.0554 5.8277 5.8277 6.1112 6.1112 7.4489 7.4489 7.5903 7.5903 9.1852 9.1852 9.2322 9.2322 9.4931 9.4931 9.5273 9.5273 9.7759 9.7759 9.9143 9.9143 10.0367 10.0367 10.1021 10.1021 10.5161 10.5161 10.5504 10.5504 16.5700 16.5700 16.5935 16.5935 20.1031 20.1031 20.3358 20.3358 k = 0.4049 0.5044 0.4334 ( 2494 PWs) bands (ev): -1.7278 -1.7278 -1.7269 -1.7269 4.9501 4.9501 5.0847 5.0847 5.8228 5.8228 6.1098 6.1098 7.3954 7.3954 7.5397 7.5397 9.1801 9.1801 9.2213 9.2213 9.4877 9.4877 9.5248 9.5248 9.7781 9.7781 9.9225 9.9225 10.0287 10.0287 10.1042 10.1042 10.4802 10.4802 10.5089 10.5089 16.5793 16.5793 16.6019 16.6019 20.2125 20.2125 20.4405 20.4405 k = 0.4172 0.5044 0.4334 ( 2496 PWs) bands (ev): -1.7212 -1.7212 -1.7203 -1.7203 4.9722 4.9722 5.1053 5.1053 5.8307 5.8307 6.1170 6.1170 7.3420 7.3420 7.4886 7.4886 9.1757 9.1757 9.2116 9.2116 9.4834 9.4834 9.5224 9.5224 9.7809 9.7809 9.9296 9.9296 10.0218 10.0218 10.1068 10.1068 10.4475 10.4475 10.4707 10.4707 16.5850 16.5850 16.6065 16.6065 20.3164 20.3164 20.5389 20.5389 k = 0.4294 0.5044 0.4334 ( 2498 PWs) bands (ev): -1.7156 -1.7156 -1.7149 -1.7149 4.9896 4.9896 5.1173 5.1173 5.8511 5.8511 6.1323 6.1323 7.2893 7.2893 7.4377 7.4377 9.1722 9.1722 9.2032 9.2032 9.4801 9.4801 9.5200 9.5200 9.7842 9.7842 9.9351 9.9351 10.0167 10.0167 10.1097 10.1097 10.4178 10.4178 10.4354 10.4354 16.5873 16.5873 16.6073 16.6073 20.4150 20.4150 20.6312 20.6312 k = 0.4417 0.5044 0.4334 ( 2500 PWs) bands (ev): -1.7113 -1.7113 -1.7106 -1.7106 5.0028 5.0028 5.1216 5.1216 5.8827 5.8827 6.1548 6.1548 7.2383 7.2383 7.3875 7.3875 9.1696 9.1696 9.1962 9.1962 9.4777 9.4777 9.5177 9.5177 9.7880 9.7880 9.9382 9.9382 10.0143 10.0143 10.1130 10.1130 10.3910 10.3910 10.4031 10.4031 16.5860 16.5860 16.6044 16.6044 20.5083 20.5083 20.7177 20.7177 k = 0.4417 0.5044 0.4334 ( 2500 PWs) bands (ev): -1.7113 -1.7113 -1.7106 -1.7106 5.0028 5.0028 5.1216 5.1216 5.8827 5.8827 6.1548 6.1548 7.2383 7.2383 7.3875 7.3875 9.1696 9.1696 9.1962 9.1962 9.4777 9.4777 9.5177 9.5177 9.7880 9.7880 9.9382 9.9382 10.0143 10.0143 10.1130 10.1130 10.3910 10.3910 10.4031 10.4031 16.5860 16.5860 16.6044 16.6044 20.5083 20.5083 20.7177 20.7177 k = 0.4335 0.4951 0.4334 ( 2496 PWs) bands (ev): -1.7175 -1.7175 -1.7167 -1.7167 4.9846 4.9846 5.1185 5.1185 5.8301 5.8301 6.1178 6.1178 7.3146 7.3146 7.4626 7.4626 9.1725 9.1725 9.2060 9.2060 9.4815 9.4815 9.5210 9.5210 9.7824 9.7824 9.9330 9.9330 10.0183 10.0183 10.1078 10.1078 10.4333 10.4333 10.4537 10.4537 16.5909 16.5909 16.6119 16.6119 20.3685 20.3685 20.5884 20.5884 k = 0.4253 0.4857 0.4334 ( 2484 PWs) bands (ev): -1.7245 -1.7245 -1.7236 -1.7236 4.9644 4.9644 5.1114 5.1114 5.7858 5.7858 6.0864 6.0864 7.3893 7.3893 7.5349 7.5349 9.1748 9.1748 9.2162 9.2162 9.4869 9.4869 9.5240 9.5240 9.7780 9.7780 9.9240 9.9240 10.0257 10.0257 10.1026 10.1026 10.4823 10.4823 10.5108 10.5108 16.5964 16.5964 16.6199 16.6199 20.2281 20.2281 20.4577 20.4577 k = 0.4172 0.4764 0.4334 ( 2476 PWs) bands (ev): -1.7324 -1.7324 -1.7315 -1.7315 4.9422 4.9422 5.0997 5.0997 5.7508 5.7508 6.0614 6.0614 7.4612 7.4612 7.6038 7.6038 9.1763 9.1763 9.2264 9.2264 9.4938 9.4938 9.5264 9.5264 9.7749 9.7749 9.9131 9.9131 10.0342 10.0342 10.0975 10.0975 10.5383 10.5383 10.5746 10.5746 16.6023 16.6023 16.6283 16.6283 20.0874 20.0874 20.3262 20.3262 k = 0.4090 0.4670 0.4334 ( 2476 PWs) bands (ev): -1.7413 -1.7413 -1.7403 -1.7403 4.9183 4.9183 5.0830 5.0830 5.7260 5.7260 6.0432 6.0432 7.5297 7.5297 7.6686 7.6686 9.1767 9.1767 9.2363 9.2363 9.5022 9.5022 9.5284 9.5284 9.7728 9.7728 9.9014 9.9014 10.0427 10.0427 10.0925 10.0925 10.6017 10.6017 10.6453 10.6453 16.6085 16.6085 16.6370 16.6370 19.9468 19.9468 20.1941 20.1941 k = 0.4008 0.4577 0.4334 ( 2484 PWs) bands (ev): -1.7511 -1.7511 -1.7501 -1.7501 4.8931 4.8931 5.0618 5.0618 5.7113 5.7113 6.0319 6.0319 7.5941 7.5941 7.7290 7.7290 9.1759 9.1759 9.2454 9.2454 9.5119 9.5119 9.5303 9.5303 9.7715 9.7715 9.8895 9.8895 10.0506 10.0506 10.0876 10.0876 10.6725 10.6725 10.7231 10.7231 16.6149 16.6149 16.6458 16.6458 19.8064 19.8064 20.0618 20.0618 k = 0.3926 0.4484 0.4334 ( 2484 PWs) bands (ev): -1.7619 -1.7619 -1.7608 -1.7608 4.8671 4.8671 5.0367 5.0367 5.7064 5.7064 6.0273 6.0273 7.6542 7.6542 7.7848 7.7848 9.1739 9.1739 9.2536 9.2536 9.5228 9.5228 9.5322 9.5322 9.7712 9.7712 9.8777 9.8777 10.0577 10.0577 10.0829 10.0829 10.7507 10.7507 10.8081 10.8081 16.6216 16.6216 16.6548 16.6548 19.6667 19.6667 19.9296 19.9296 k = 0.3844 0.4390 0.4334 ( 2480 PWs) bands (ev): -1.7737 -1.7737 -1.7726 -1.7726 4.8408 4.8408 5.0090 5.0090 5.7102 5.7102 6.0293 6.0293 7.7098 7.7098 7.8359 7.8359 9.1708 9.1708 9.2604 9.2604 9.5344 9.5344 9.5346 9.5346 9.7714 9.7714 9.8662 9.8662 10.0640 10.0640 10.0785 10.0785 10.8362 10.8362 10.9001 10.9001 16.6283 16.6283 16.6637 16.6637 19.5277 19.5277 19.7977 19.7977 k = 0.3763 0.4297 0.4334 ( 2480 PWs) bands (ev): -1.7865 -1.7865 -1.7854 -1.7854 4.8148 4.8148 4.9800 4.9800 5.7217 5.7217 6.0374 6.0374 7.7607 7.7607 7.8823 7.8823 9.1664 9.1664 9.2655 9.2655 9.5371 9.5371 9.5471 9.5471 9.7722 9.7722 9.8551 9.8551 10.0694 10.0694 10.0741 10.0741 10.9285 10.9285 10.9990 10.9990 16.6351 16.6351 16.6725 16.6725 19.3897 19.3897 19.6663 19.6663 k = 0.3681 0.4203 0.4334 ( 2478 PWs) bands (ev): -1.8003 -1.8003 -1.7992 -1.7992 4.7897 4.7897 4.9509 4.9509 5.7398 5.7398 6.0512 6.0512 7.8072 7.8072 7.9240 7.9240 9.1610 9.1610 9.2687 9.2687 9.5405 9.5405 9.5601 9.5601 9.7732 9.7732 9.8445 9.8445 10.0699 10.0699 10.0738 10.0738 11.0271 11.0271 11.1042 11.1042 16.6419 16.6419 16.6811 16.6811 19.2529 19.2529 19.5355 19.5355 k = 0.3599 0.4110 0.4334 ( 2482 PWs) bands (ev): -1.8151 -1.8151 -1.8140 -1.8140 4.7662 4.7662 4.9228 4.9228 5.7636 5.7636 6.0704 6.0704 7.8492 7.8492 7.9613 7.9613 9.1545 9.1545 9.2700 9.2700 9.5446 9.5446 9.5732 9.5732 9.7744 9.7744 9.8343 9.8343 10.0657 10.0657 10.0775 10.0775 11.1314 11.1314 11.2151 11.2151 16.6487 16.6487 16.6896 16.6896 19.1176 19.1176 19.4056 19.4056 k = 0.3517 0.4017 0.4334 ( 2486 PWs) bands (ev): -1.8310 -1.8310 -1.8299 -1.8299 4.7447 4.7447 4.8967 4.8967 5.7923 5.7923 6.0945 6.0945 7.8869 7.8869 7.9944 7.9944 9.1471 9.1471 9.2692 9.2692 9.5496 9.5496 9.5863 9.5863 9.7757 9.7757 9.8247 9.8247 10.0616 10.0616 10.0803 10.0803 11.2406 11.2406 11.3311 11.3311 16.6557 16.6557 16.6978 16.6978 18.9839 18.9839 19.2767 19.2767 k = 0.3436 0.3923 0.4334 ( 2486 PWs) bands (ev): -1.8479 -1.8479 -1.8468 -1.8468 4.7256 4.7256 4.8732 4.8732 5.8251 5.8251 6.1232 6.1232 7.9207 7.9207 8.0236 8.0236 9.1390 9.1390 9.2665 9.2665 9.5555 9.5555 9.5993 9.5993 9.7770 9.7770 9.8158 9.8158 10.0575 10.0575 10.0823 10.0823 11.3538 11.3538 11.4512 11.4512 16.6629 16.6629 16.7059 16.7059 18.8521 18.8521 19.1490 19.1490 k = 0.3354 0.3830 0.4334 ( 2486 PWs) bands (ev): -1.8658 -1.8658 -1.8647 -1.8647 4.7095 4.7095 4.8529 4.8529 5.8618 5.8618 6.1561 6.1561 7.9508 7.9508 8.0493 8.0493 9.1301 9.1301 9.2621 9.2621 9.5620 9.5620 9.6118 9.6118 9.7783 9.7783 9.8076 9.8076 10.0534 10.0534 10.0837 10.0837 11.4699 11.4699 11.5746 11.5746 16.6705 16.6705 16.7140 16.7140 18.7225 18.7225 19.0227 19.0227 k = 0.3272 0.3736 0.4334 ( 2482 PWs) bands (ev): -1.8846 -1.8846 -1.8836 -1.8836 4.6966 4.6966 4.8362 4.8362 5.9018 5.9018 6.1929 6.1929 7.9774 7.9774 8.0716 8.0716 9.1206 9.1206 9.2562 9.2562 9.5691 9.5691 9.6239 9.6239 9.7796 9.7796 9.8001 9.8001 10.0493 10.0493 10.0844 10.0844 11.5880 11.5880 11.7000 11.7000 16.6787 16.6787 16.7222 16.7222 18.5953 18.5953 18.8981 18.8981 k = 0.3190 0.3643 0.4334 ( 2482 PWs) bands (ev): -1.9045 -1.9045 -1.9035 -1.9035 4.6872 4.6872 4.8235 4.8235 5.9448 5.9448 6.2334 6.2334 8.0008 8.0008 8.0908 8.0908 9.1105 9.1105 9.2490 9.2490 9.5765 9.5765 9.6352 9.6352 9.7807 9.7807 9.7935 9.7935 10.0451 10.0451 10.0845 10.0845 11.7067 11.7067 11.8264 11.8264 16.6880 16.6880 16.7310 16.7310 18.4707 18.4707 18.7752 18.7752 k = 0.3108 0.3550 0.4334 ( 2486 PWs) bands (ev): -1.9252 -1.9252 -1.9243 -1.9243 4.6815 4.6815 4.8150 4.8150 5.9907 5.9907 6.2773 6.2773 8.0213 8.0213 8.1072 8.1072 9.0998 9.0998 9.2405 9.2405 9.5840 9.5840 9.6456 9.6456 9.7819 9.7819 9.7877 9.7877 10.0408 10.0408 10.0839 10.0839 11.8250 11.8250 11.9525 11.9525 16.6987 16.6987 16.7406 16.7406 18.3492 18.3492 18.6545 18.6545 k = 0.3027 0.3456 0.4334 ( 2490 PWs) bands (ev): -1.9469 -1.9469 -1.9460 -1.9460 4.6797 4.6797 4.8109 4.8109 6.0391 6.0391 6.3244 6.3244 8.0391 8.0391 8.1211 8.1211 9.0887 9.0887 9.2311 9.2311 9.5916 9.5916 9.6549 9.6549 9.7830 9.7830 9.7830 9.7830 10.0365 10.0365 10.0828 10.0828 11.9412 11.9412 12.0770 12.0770 16.7113 16.7113 16.7515 16.7515 18.2310 18.2310 18.5362 18.5362 k = 0.2945 0.3363 0.4334 ( 2478 PWs) bands (ev): -1.9693 -1.9693 -1.9685 -1.9685 4.6820 4.6820 4.8113 4.8113 6.0900 6.0900 6.3745 6.3745 8.0546 8.0546 8.1329 8.1329 9.0773 9.0773 9.2210 9.2210 9.5992 9.5992 9.6631 9.6631 9.7795 9.7795 9.7841 9.7841 10.0321 10.0321 10.0813 10.0813 12.0543 12.0543 12.1983 12.1983 16.7266 16.7266 16.7645 16.7645 18.1164 18.1164 18.4206 18.4206 k = 0.2863 0.3269 0.4334 ( 2470 PWs) bands (ev): -1.9925 -1.9925 -1.9918 -1.9918 4.6885 4.6885 4.8162 4.8162 6.1431 6.1431 6.4273 6.4273 8.0679 8.0679 8.1425 8.1425 9.0656 9.0656 9.2103 9.2103 9.6065 9.6065 9.6699 9.6699 9.7773 9.7773 9.7852 9.7852 10.0277 10.0277 10.0793 10.0793 12.1624 12.1624 12.3149 12.3149 16.7452 16.7452 16.7802 16.7802 18.0058 18.0058 18.3079 18.3079 k = 0.2781 0.3176 0.4334 ( 2476 PWs) bands (ev): -2.0165 -2.0165 -2.0158 -2.0158 4.6992 4.6992 4.8257 4.8257 6.1983 6.1983 6.4828 6.4828 8.0793 8.0793 8.1501 8.1501 9.0535 9.0535 9.1991 9.1991 9.6134 9.6134 9.6752 9.6752 9.7762 9.7762 9.7862 9.7862 10.0230 10.0230 10.0767 10.0767 12.2642 12.2642 12.4252 12.4252 16.7678 16.7678 16.7995 16.7995 17.8995 17.8995 18.1986 18.1986 k = 0.2699 0.3083 0.4334 ( 2472 PWs) bands (ev): -2.0411 -2.0411 -2.0405 -2.0405 4.7142 4.7142 4.8398 4.8398 6.2555 6.2555 6.5407 6.5407 8.0890 8.0890 8.1561 8.1561 9.0412 9.0412 9.1876 9.1876 9.6198 9.6198 9.6790 9.6790 9.7765 9.7765 9.7873 9.7873 10.0182 10.0182 10.0737 10.0737 12.3580 12.3580 12.5275 12.5275 16.7951 16.7951 16.8233 16.8233 17.7977 17.7977 18.0930 18.0930 k = 0.2618 0.2989 0.4334 ( 2464 PWs) bands (ev): -2.0662 -2.0662 -2.0657 -2.0657 4.7335 4.7335 4.8586 4.8586 6.3146 6.3146 6.6008 6.6008 8.0971 8.0971 8.1606 8.1606 9.0287 9.0287 9.1758 9.1758 9.6257 9.6257 9.6814 9.6814 9.7779 9.7779 9.7885 9.7885 10.0133 10.0133 10.0703 10.0703 12.4423 12.4423 12.6201 12.6201 16.8279 16.8279 16.8525 16.8525 17.7008 17.7008 17.9915 17.9915 k = 0.2536 0.2896 0.4334 ( 2466 PWs) bands (ev): -2.0918 -2.0918 -2.0913 -2.0913 4.7569 4.7569 4.8818 4.8818 6.3753 6.3753 6.6631 6.6631 8.1039 8.1039 8.1636 8.1636 9.0160 9.0160 9.1639 9.1639 9.6309 9.6309 9.6825 9.6825 9.7801 9.7801 9.7897 9.7897 10.0082 10.0082 10.0664 10.0664 12.5157 12.5157 12.7013 12.7013 16.8664 16.8664 16.8878 16.8878 17.6091 17.6091 17.8945 17.8945 k = 0.2454 0.2802 0.4334 ( 2470 PWs) bands (ev): -2.1178 -2.1178 -2.1174 -2.1174 4.7846 4.7846 4.9095 4.9095 6.4376 6.4376 6.7272 6.7272 8.1097 8.1097 8.1653 8.1653 9.0032 9.0032 9.1518 9.1518 9.6353 9.6353 9.6826 9.6826 9.7829 9.7829 9.7909 9.7909 10.0031 10.0031 10.0621 10.0621 12.5769 12.5769 12.7698 12.7698 16.9107 16.9107 16.9295 16.9295 17.5232 17.5232 17.8029 17.8029 k = 0.2372 0.2709 0.4334 ( 2474 PWs) bands (ev): -2.1441 -2.1441 -2.1437 -2.1437 4.8165 4.8165 4.9416 4.9416 6.5013 6.5013 6.7930 6.7930 8.1144 8.1144 8.1658 8.1658 8.9902 8.9902 9.1398 9.1398 9.6390 9.6390 9.6820 9.6820 9.7859 9.7859 9.7922 9.7922 9.9978 9.9978 10.0575 10.0575 12.6247 12.6247 12.8241 12.8241 16.9597 16.9597 16.9770 16.9770 17.4437 17.4437 17.7173 17.7173 k = 0.2290 0.2615 0.4334 ( 2470 PWs) bands (ev): -2.1706 -2.1706 -2.1703 -2.1703 4.8524 4.8524 4.9779 4.9779 6.5663 6.5663 6.8602 6.8602 8.1184 8.1184 8.1653 8.1653 8.9772 8.9772 9.1280 9.1280 9.6419 9.6419 9.6808 9.6808 9.7890 9.7890 9.7936 9.7936 9.9924 9.9924 10.0525 10.0525 12.6584 12.6584 12.8634 12.8634 17.0115 17.0115 17.0281 17.0281 17.3728 17.3728 17.6395 17.6395 k = 0.2209 0.2522 0.4334 ( 2474 PWs) bands (ev): -2.1972 -2.1972 -2.1970 -2.1970 4.8923 4.8923 5.0184 5.0184 6.6324 6.6324 6.9287 6.9287 8.1218 8.1218 8.1636 8.1636 8.9641 8.9641 9.1162 9.1162 9.6439 9.6439 9.6794 9.6794 9.7919 9.7919 9.7952 9.7952 9.9869 9.9869 10.0472 10.0472 12.6774 12.6774 12.8870 12.8870 17.0616 17.0616 17.0753 17.0753 17.3164 17.3164 17.5720 17.5720 k = 0.2127 0.2429 0.4334 ( 2470 PWs) bands (ev): -2.2238 -2.2238 -2.2236 -2.2236 4.9361 4.9361 5.0630 5.0630 6.6993 6.6993 6.9980 6.9980 8.1249 8.1249 8.1611 8.1611 8.9511 8.9511 9.1047 9.1047 9.6451 9.6451 9.6777 9.6777 9.7945 9.7945 9.7969 9.7969 9.9814 9.9814 10.0416 10.0416 12.6817 12.6817 12.8948 12.8948 17.0990 17.0990 17.1025 17.1025 17.2913 17.2913 17.5193 17.5193 k = 0.2045 0.2335 0.4334 ( 2474 PWs) bands (ev): -2.2503 -2.2503 -2.2502 -2.2502 4.9835 4.9835 5.1114 5.1114 6.7670 6.7670 7.0678 7.0678 8.1277 8.1277 8.1576 8.1576 8.9383 8.9383 9.0937 9.0937 9.6454 9.6454 9.6757 9.6757 9.7967 9.7967 9.7987 9.7987 9.9757 9.9757 10.0357 10.0357 12.6714 12.6714 12.8871 12.8871 17.0806 17.0806 17.1238 17.1238 17.3114 17.3114 17.4864 17.4864 k = 0.1963 0.2242 0.4334 ( 2478 PWs) bands (ev): -2.2767 -2.2767 -2.2766 -2.2766 5.0346 5.0346 5.1635 5.1635 6.8351 6.8351 7.1377 7.1377 8.1307 8.1307 8.1533 8.1533 8.9257 8.9257 9.0831 9.0831 9.6447 9.6447 9.6736 9.6736 9.7983 9.7983 9.8007 9.8007 9.9700 9.9700 10.0296 10.0296 12.6472 12.6472 12.8644 12.8644 17.0374 17.0374 17.1183 17.1183 17.3523 17.3523 17.4732 17.4732 k = 0.1881 0.2148 0.4334 ( 2470 PWs) bands (ev): -2.3027 -2.3027 -2.3027 -2.3027 5.0891 5.0891 5.2191 5.2191 6.9034 6.9034 7.2072 7.2072 8.1339 8.1339 8.1482 8.1482 8.9136 8.9136 9.0733 9.0733 9.6433 9.6433 9.6714 9.6714 9.7996 9.7996 9.8028 9.8028 9.9644 9.9644 10.0232 10.0232 12.6097 12.6097 12.8276 12.8276 16.9873 16.9873 17.0901 17.0901 17.3870 17.3870 17.4669 17.4669 k = 0.1800 0.2055 0.4334 ( 2470 PWs) bands (ev): -2.3285 -2.3285 -2.3284 -2.3284 5.1469 5.1469 5.2781 5.2781 6.9716 6.9716 7.2758 7.2758 8.1376 8.1376 8.1422 8.1422 8.9022 8.9022 9.0644 9.0644 9.6409 9.6409 9.6691 9.6691 9.8003 9.8003 9.8051 9.8051 9.9587 9.9587 10.0166 10.0166 12.5599 12.5599 12.7778 12.7778 16.9367 16.9367 17.0487 17.0487 17.4008 17.4008 17.4514 17.4514 k = 0.1718 0.1962 0.4334 ( 2470 PWs) bands (ev): -2.3538 -2.3538 -2.3537 -2.3537 5.2078 5.2078 5.3401 5.3401 7.0393 7.0393 7.3425 7.3425 8.1352 8.1352 8.1420 8.1420 8.8918 8.8918 9.0566 9.0566 9.6377 9.6377 9.6665 9.6665 9.8006 9.8006 9.8077 9.8077 9.9530 9.9530 10.0098 10.0098 12.4990 12.4990 12.7163 12.7163 16.8873 16.8873 17.0015 17.0015 17.3882 17.3882 17.4180 17.4180 k = 0.1636 0.1868 0.4334 ( 2478 PWs) bands (ev): -2.3785 -2.3785 -2.3784 -2.3784 5.2715 5.2715 5.4051 5.4051 7.1062 7.1062 7.4068 7.4068 8.1272 8.1272 8.1474 8.1474 8.8828 8.8828 9.0501 9.0501 9.6337 9.6337 9.6637 9.6637 9.8006 9.8006 9.8104 9.8104 9.9474 9.9474 10.0028 10.0028 12.4280 12.4280 12.6443 12.6443 16.8400 16.8400 16.9524 16.9524 17.3513 17.3513 17.3672 17.3672 k = 0.1554 0.1775 0.4334 ( 2478 PWs) bands (ev): -2.4026 -2.4026 -2.4024 -2.4024 5.3379 5.3379 5.4728 5.4728 7.1719 7.1719 7.4675 7.4675 8.1182 8.1182 8.1538 8.1538 8.8762 8.8762 9.0457 9.0457 9.6290 9.6290 9.6605 9.6605 9.8004 9.8004 9.8134 9.8134 9.9419 9.9419 9.9958 9.9958 12.3483 12.3483 12.5631 12.5631 16.7948 16.7948 16.9036 16.9036 17.2966 17.2966 17.3036 17.3036 k = 0.1472 0.1681 0.4334 ( 2486 PWs) bands (ev): -2.4259 -2.4259 -2.4258 -2.4258 5.4068 5.4068 5.5428 5.5428 7.2359 7.2359 7.5236 7.5236 8.1080 8.1080 8.1611 8.1611 8.8726 8.8726 9.0434 9.0434 9.6237 9.6237 9.6570 9.6570 9.8002 9.8002 9.8167 9.8167 9.9366 9.9366 9.9886 9.9886 12.2608 12.2608 12.4738 12.4738 16.7519 16.7519 16.8560 16.8560 17.2308 17.2308 17.2324 17.2324 k = 0.1391 0.1588 0.4334 ( 2486 PWs) bands (ev): -2.4485 -2.4485 -2.4483 -2.4483 5.4779 5.4779 5.6149 5.6149 7.2976 7.2976 7.5743 7.5743 8.0965 8.0965 8.1691 8.1691 8.8731 8.8731 9.0440 9.0440 9.6179 9.6179 9.6530 9.6530 9.8003 9.8003 9.8202 9.8202 9.9315 9.9315 9.9814 9.9814 12.1669 12.1669 12.3778 12.3778 16.7113 16.7113 16.8103 16.8103 17.1575 17.1575 17.1594 17.1594 k = 0.1309 0.1495 0.4334 ( 2490 PWs) bands (ev): -2.4702 -2.4702 -2.4700 -2.4700 5.5510 5.5510 5.6888 5.6888 7.3566 7.3566 7.6186 7.6186 8.0835 8.0835 8.1771 8.1771 8.8791 8.8791 9.0478 9.0478 9.6117 9.6117 9.6486 9.6486 9.8007 9.8007 9.8239 9.8239 9.9268 9.9268 9.9741 9.9741 12.0674 12.0674 12.2760 12.2760 16.6728 16.6728 16.7667 16.7667 17.0819 17.0819 17.0860 17.0860 k = 0.1227 0.1401 0.4334 ( 2486 PWs) bands (ev): -2.4909 -2.4909 -2.4907 -2.4907 5.6257 5.6257 5.7642 5.7642 7.4122 7.4122 7.6561 7.6561 8.0690 8.0690 8.1839 8.1839 8.8918 8.8918 9.0556 9.0556 9.6053 9.6053 9.6436 9.6436 9.8019 9.8019 9.8279 9.8279 9.9226 9.9226 9.9668 9.9668 11.9636 11.9636 12.1695 12.1695 16.6364 16.6364 16.7254 16.7254 17.0073 17.0073 17.0131 17.0131 k = 0.1145 0.1308 0.4334 ( 2482 PWs) bands (ev): -2.5106 -2.5106 -2.5104 -2.5104 5.7018 5.7018 5.8405 5.8405 7.4640 7.4640 7.6865 7.6865 8.0528 8.0528 8.1884 8.1884 8.9126 8.9126 9.0677 9.0677 9.5987 9.5987 9.6381 9.6381 9.8040 9.8040 9.8321 9.8321 9.9191 9.9191 9.9596 9.9596 11.8563 11.8563 12.0590 12.0590 16.6021 16.6021 16.6864 16.6864 16.9352 16.9352 16.9425 16.9425 k = 0.1063 0.1214 0.4334 ( 2490 PWs) bands (ev): -2.5292 -2.5292 -2.5290 -2.5290 5.7789 5.7789 5.9175 5.9175 7.5113 7.5113 7.7099 7.7099 8.0349 8.0349 8.1890 8.1890 8.9421 8.9421 9.0845 9.0845 9.5921 9.5921 9.6320 9.6320 9.8073 9.8073 9.8361 9.8361 9.9166 9.9166 9.9524 9.9524 11.7463 11.7463 11.9455 11.9455 16.5699 16.5699 16.6498 16.6498 16.8664 16.8664 16.8753 16.8753 k = 0.0982 0.1121 0.4334 ( 2492 PWs) bands (ev): -2.5467 -2.5467 -2.5465 -2.5465 5.8566 5.8566 5.9946 5.9946 7.5536 7.5536 7.7270 7.7270 8.0155 8.0155 8.1848 8.1848 8.9805 8.9805 9.1065 9.1065 9.5856 9.5856 9.6255 9.6255 9.8121 9.8121 9.8399 9.8399 9.9156 9.9156 9.9453 9.9453 11.6346 11.6346 11.8297 11.8297 16.5397 16.5397 16.6155 16.6155 16.8017 16.8017 16.8122 16.8122 k = 0.0900 0.1028 0.4334 ( 2494 PWs) bands (ev): -2.5630 -2.5630 -2.5628 -2.5628 5.9345 5.9345 6.0713 6.0713 7.5903 7.5903 7.7381 7.7381 7.9951 7.9951 8.1754 8.1754 9.0272 9.0272 9.1337 9.1337 9.5794 9.5794 9.6188 9.6188 9.8188 9.8188 9.8433 9.8433 9.9166 9.9166 9.9384 9.9384 11.5219 11.5219 11.7122 11.7122 16.5114 16.5114 16.5836 16.5836 16.7415 16.7415 16.7538 16.7538 k = 0.0818 0.0934 0.4334 ( 2494 PWs) bands (ev): -2.5780 -2.5780 -2.5779 -2.5779 6.0121 6.0121 6.1468 6.1468 7.6207 7.6207 7.7441 7.7441 7.9745 7.9745 8.1611 8.1611 9.0808 9.0808 9.1657 9.1657 9.5736 9.5736 9.6118 9.6118 9.8277 9.8277 9.8458 9.8458 9.9202 9.9202 9.9318 9.9318 11.4091 11.4091 11.5938 11.5938 16.4852 16.4852 16.5539 16.5539 16.6862 16.6862 16.7005 16.7005 k = 0.0736 0.0841 0.4334 ( 2482 PWs) bands (ev): -2.5918 -2.5918 -2.5916 -2.5916 6.0889 6.0889 6.2203 6.2203 7.6442 7.6442 7.7453 7.7453 7.9548 7.9548 8.1427 8.1427 9.1393 9.1393 9.2022 9.2022 9.5684 9.5684 9.6048 9.6048 9.8394 9.8394 9.8476 9.8476 9.9260 9.9260 9.9272 9.9272 11.2969 11.2969 11.4751 11.4751 16.4610 16.4610 16.5263 16.5263 16.6362 16.6362 16.6526 16.6526 k = 0.0654 0.0747 0.4334 ( 2478 PWs) bands (ev): -2.6042 -2.6042 -2.6040 -2.6040 6.1640 6.1640 6.2910 6.2910 7.6600 7.6600 7.7422 7.7422 7.9375 7.9375 8.1210 8.1210 9.2001 9.2001 9.2421 9.2421 9.5638 9.5638 9.5980 9.5980 9.8484 9.8484 9.8538 9.8538 9.9216 9.9216 9.9378 9.9378 11.1862 11.1862 11.3567 11.3567 16.4390 16.4390 16.5006 16.5006 16.5920 16.5920 16.6101 16.6101 k = 0.0573 0.0654 0.4334 ( 2474 PWs) bands (ev): -2.6152 -2.6152 -2.6151 -2.6151 6.2369 6.2369 6.3576 6.3576 7.6675 7.6675 7.7350 7.7350 7.9245 7.9245 8.0973 8.0973 9.2606 9.2606 9.2840 9.2840 9.5599 9.5599 9.5915 9.5915 9.8486 9.8486 9.8694 9.8694 9.9213 9.9213 9.9526 9.9526 11.0779 11.0779 11.2395 11.2395 16.4192 16.4192 16.4764 16.4764 16.5539 16.5539 16.5730 16.5730 k = 0.0491 0.0560 0.4334 ( 2474 PWs) bands (ev): -2.6248 -2.6248 -2.6247 -2.6247 6.3065 6.3065 6.4187 6.4187 7.6671 7.6671 7.7242 7.7242 7.9168 7.9168 8.0729 8.0729 9.3178 9.3178 9.3263 9.3263 9.5570 9.5570 9.5856 9.5856 9.8486 9.8486 9.8800 9.8800 9.9324 9.9324 9.9719 9.9719 10.9732 10.9732 11.1242 11.1242 16.4018 16.4018 16.4535 16.4535 16.5224 16.5224 16.5413 16.5413 k = 0.0409 0.0467 0.4334 ( 2470 PWs) bands (ev): -2.6330 -2.6330 -2.6329 -2.6329 6.3717 6.3717 6.4729 6.4729 7.6604 7.6604 7.7102 7.7102 7.9147 7.9147 8.0489 8.0489 9.3669 9.3669 9.3687 9.3687 9.5550 9.5550 9.5803 9.5803 9.8487 9.8487 9.8815 9.8815 9.9602 9.9602 9.9960 9.9960 10.8736 10.8736 11.0120 11.0120 16.3871 16.3871 16.4319 16.4319 16.4974 16.4974 16.5149 16.5149 k = 0.0327 0.0374 0.4334 ( 2466 PWs) bands (ev): -2.6397 -2.6397 -2.6396 -2.6396 6.4312 6.4312 6.5183 6.5183 7.6505 7.6505 7.6940 7.6940 7.9173 7.9173 8.0262 8.0262 9.4037 9.4037 9.4108 9.4108 9.5543 9.5543 9.5758 9.5758 9.8494 9.8494 9.8783 9.8783 9.9999 9.9999 10.0251 10.0251 10.7814 10.7814 10.9044 10.9044 16.3753 16.3753 16.4120 16.4120 16.4787 16.4787 16.4934 16.4934 k = 0.0245 0.0280 0.4334 ( 2470 PWs) bands (ev): -2.6450 -2.6450 -2.6449 -2.6449 6.4833 6.4833 6.5530 6.5530 7.6406 7.6406 7.6766 7.6766 7.9234 7.9234 8.0054 8.0054 9.4344 9.4344 9.4427 9.4427 9.5548 9.5548 9.5721 9.5721 9.8506 9.8506 9.8736 9.8736 10.0460 10.0460 10.0582 10.0582 10.7002 10.7002 10.8038 10.8038 16.3668 16.3668 16.3945 16.3945 16.4654 16.4654 16.4767 16.4767 k = 0.0164 0.0187 0.4334 ( 2482 PWs) bands (ev): -2.6488 -2.6488 -2.6487 -2.6487 6.5264 6.5264 6.5753 6.5753 7.6337 7.6337 7.6599 7.6599 7.9320 7.9320 7.9866 7.9866 9.4575 9.4575 9.4640 9.4640 9.5568 9.5568 9.5691 9.5691 9.8527 9.8527 9.8685 9.8685 10.0914 10.0914 10.0925 10.0925 10.6363 10.6363 10.7144 10.7144 16.3618 16.3618 16.3803 16.3803 16.4569 16.4569 16.4644 16.4644 k = 0.0082 0.0093 0.4334 ( 2474 PWs) bands (ev): -2.6510 -2.6510 -2.6510 -2.6510 6.5585 6.5585 6.5838 6.5838 7.6319 7.6319 7.6458 7.6458 7.9429 7.9429 7.9701 7.9701 9.4720 9.4720 9.4754 9.4754 9.5599 9.5599 9.5663 9.5663 9.8556 9.8556 9.8637 9.8637 10.1221 10.1221 10.1254 10.1254 10.6000 10.6000 10.6434 10.6434 16.3605 16.3605 16.3698 16.3698 16.4527 16.4527 16.4564 16.4564 k = 0.0000 0.0000 0.4334 ( 2474 PWs) bands (ev): -2.6518 -2.6518 -2.6517 -2.6517 6.5781 6.5781 6.5781 6.5781 7.6360 7.6360 7.6360 7.6360 7.9555 7.9555 7.9555 7.9555 9.4779 9.4779 9.4779 9.4779 9.5632 9.5632 9.5633 9.5633 9.8593 9.8593 9.8593 9.8593 10.1362 10.1362 10.1362 10.1362 10.6019 10.6019 10.6019 10.6019 16.3632 16.3632 16.3632 16.3632 16.4525 16.4525 16.4525 16.4525 k = 0.0000 0.0000 0.4334 ( 2474 PWs) bands (ev): -2.6518 -2.6518 -2.6517 -2.6517 6.5781 6.5781 6.5781 6.5781 7.6360 7.6360 7.6360 7.6360 7.9555 7.9555 7.9555 7.9555 9.4779 9.4779 9.4779 9.4779 9.5632 9.5632 9.5633 9.5633 9.8593 9.8593 9.8593 9.8593 10.1362 10.1362 10.1362 10.1362 10.6019 10.6019 10.6019 10.6019 16.3632 16.3632 16.3632 16.3632 16.4525 16.4525 16.4525 16.4525 k = 0.0000 0.0000 0.4211 ( 2470 PWs) bands (ev): -2.7197 -2.7197 -2.5828 -2.5828 6.5171 6.5171 6.6399 6.6399 7.5848 7.5848 7.6875 7.6875 7.9134 7.9134 7.9958 7.9958 9.4458 9.4458 9.5061 9.5061 9.5471 9.5471 9.5808 9.5808 9.8488 9.8488 9.8736 9.8736 10.1156 10.1156 10.1571 10.1571 10.5916 10.5916 10.6165 10.6165 16.3140 16.3140 16.3191 16.3191 16.4244 16.4244 16.5570 16.5570 k = 0.0000 0.0000 0.4087 ( 2474 PWs) bands (ev): -2.7866 -2.7866 -2.5130 -2.5130 6.4569 6.4569 6.7023 6.7023 7.5342 7.5342 7.7391 7.7391 7.8696 7.8696 8.0339 8.0339 9.4112 9.4112 9.5264 9.5264 9.5347 9.5347 9.5994 9.5994 9.8423 9.8423 9.8911 9.8911 10.0951 10.0951 10.1779 10.1779 10.5861 10.5861 10.6351 10.6351 16.1769 16.1769 16.2678 16.2678 16.4798 16.4798 16.6394 16.6394 k = 0.0000 0.0000 0.3963 ( 2474 PWs) bands (ev): -2.8522 -2.8522 -2.4424 -2.4424 6.3978 6.3978 6.7651 6.7651 7.4844 7.4844 7.7903 7.7903 7.8247 7.8247 8.0698 8.0698 9.3754 9.3754 9.5157 9.5157 9.5491 9.5491 9.6181 9.6181 9.8402 9.8402 9.9111 9.9111 10.0751 10.0751 10.1986 10.1986 10.5859 10.5859 10.6575 10.6575 16.0220 16.0220 16.2237 16.2237 16.5403 16.5403 16.6956 16.6956 k = 0.0000 0.0000 0.3839 ( 2470 PWs) bands (ev): -2.9167 -2.9167 -2.3712 -2.3712 6.3398 6.3398 6.8281 6.8281 7.4357 7.4357 7.7776 7.7776 7.8422 7.8422 8.1034 8.1034 9.3396 9.3396 9.5014 9.5014 9.5634 9.5634 9.6353 9.6353 9.8425 9.8425 9.9326 9.9326 10.0559 10.0559 10.2193 10.2193 10.5916 10.5916 10.6835 10.6835 15.8584 15.8584 16.1827 16.1827 16.6044 16.6044 16.7251 16.7251 k = 0.0000 0.0000 0.3715 ( 2466 PWs) bands (ev): -2.9797 -2.9797 -2.2995 -2.2995 6.2830 6.2830 6.8909 6.8909 7.3885 7.3885 7.7306 7.7306 7.8923 7.8923 8.1349 8.1349 9.3044 9.3044 9.4871 9.4871 9.5749 9.5749 9.6498 9.6498 9.8489 9.8489 9.9542 9.9542 10.0379 10.0379 10.2397 10.2397 10.6038 10.6038 10.7131 10.7131 15.6893 15.6893 16.1449 16.1449 16.6720 16.6720 16.7293 16.7293 k = 0.0000 0.0000 0.3591 ( 2464 PWs) bands (ev): -3.0414 -3.0414 -2.2274 -2.2274 6.2275 6.2275 6.9526 6.9526 7.3434 7.3434 7.6831 7.6831 7.9410 7.9410 8.1646 8.1646 9.2704 9.2704 9.4729 9.4729 9.5838 9.5838 9.6614 9.6614 9.8590 9.8590 9.9730 9.9730 10.0228 10.0228 10.2597 10.2597 10.6232 10.6232 10.7459 10.7459 15.5175 15.5175 16.1101 16.1101 16.7113 16.7113 16.7430 16.7430 k = 0.0000 0.0000 0.3468 ( 2464 PWs) bands (ev): -3.1015 -3.1015 -2.1550 -2.1550 6.1734 6.1734 7.0115 7.0115 7.3023 7.3023 7.6352 7.6352 7.9875 7.9875 8.1931 8.1931 9.2380 9.2380 9.4590 9.4590 9.5907 9.5907 9.6703 9.6703 9.8717 9.8717 9.9809 9.9809 10.0179 10.0179 10.2794 10.2794 10.6500 10.6500 10.7821 10.7821 15.3450 15.3450 16.0784 16.0784 16.6751 16.6751 16.8174 16.8174 k = 0.0000 0.0000 0.3344 ( 2464 PWs) bands (ev): -3.1600 -3.1600 -2.0825 -2.0825 6.1206 6.1206 7.0631 7.0631 7.2694 7.2694 7.5875 7.5875 8.0306 8.0306 8.2217 8.2217 9.2077 9.2077 9.4452 9.4452 9.5957 9.5957 9.6772 9.6772 9.8859 9.8859 9.9729 9.9729 10.0273 10.0273 10.2986 10.2986 10.6842 10.6842 10.8216 10.8216 15.1738 15.1738 16.0497 16.0497 16.6243 16.6243 16.8952 16.8952 k = 0.0000 0.0000 0.3220 ( 2464 PWs) bands (ev): -3.2170 -3.2170 -2.0101 -2.0101 6.0693 6.0693 7.0952 7.0952 7.2569 7.2569 7.5402 7.5402 8.0686 8.0686 8.2517 8.2517 9.1796 9.1796 9.4316 9.4316 9.5990 9.5990 9.6825 9.6825 9.9004 9.9004 9.9604 9.9604 10.0400 10.0400 10.3173 10.3173 10.7253 10.7253 10.8644 10.8644 15.0056 15.0056 16.0238 16.0238 16.5622 16.5622 16.9763 16.9763 k = 0.0000 0.0000 0.3096 ( 2462 PWs) bands (ev): -3.2722 -3.2722 -1.9379 -1.9379 6.0196 6.0196 7.0934 7.0934 7.2792 7.2792 7.4937 7.4937 8.1001 8.1001 8.2846 8.2846 9.1540 9.1540 9.4182 9.4182 9.6010 9.6010 9.6867 9.6867 9.9125 9.9125 9.9504 9.9504 10.0509 10.0509 10.3356 10.3356 10.7718 10.7718 10.9109 10.9109 14.8419 14.8419 16.0006 16.0006 16.4916 16.4916 17.0608 17.0608 k = 0.0000 0.0000 0.2972 ( 2462 PWs) bands (ev): -3.3256 -3.3256 -1.8661 -1.8661 5.9715 5.9715 7.0677 7.0677 7.3252 7.3252 7.4487 7.4487 8.1245 8.1245 8.3213 8.3213 9.1309 9.1309 9.4052 9.4052 9.6016 9.6016 9.6897 9.6897 9.9153 9.9153 9.9502 9.9502 10.0592 10.0592 10.3533 10.3533 10.8219 10.8219 10.9616 10.9616 14.6840 14.6840 15.9799 15.9799 16.4147 16.4147 17.1485 17.1485 k = 0.0000 0.0000 0.2848 ( 2462 PWs) bands (ev): -3.3772 -3.3772 -1.7949 -1.7949 5.9251 5.9251 7.0334 7.0334 7.3716 7.3716 7.4137 7.4137 8.1418 8.1418 8.3616 8.3616 9.1104 9.1104 9.3924 9.3924 9.6013 9.6013 9.6917 9.6917 9.9081 9.9081 9.9607 9.9607 10.0651 10.0651 10.3705 10.3705 10.8729 10.8729 11.0176 11.0176 14.5334 14.5334 15.9614 15.9614 16.3333 16.3333 17.2396 17.2396 k = 0.0000 0.0000 0.2724 ( 2462 PWs) bands (ev): -3.4270 -3.4270 -1.7244 -1.7244 5.8803 5.8803 6.9966 6.9966 7.3517 7.3517 7.4492 7.4492 8.1533 8.1533 8.4048 8.4048 9.0924 9.0924 9.3800 9.3800 9.6000 9.6000 9.6925 9.6925 9.8981 9.8981 9.9743 9.9743 10.0690 10.0690 10.3871 10.3871 10.9220 10.9220 11.0801 11.0801 14.3914 14.3914 15.9444 15.9444 16.2493 16.2493 17.3338 17.3338 k = 0.0000 0.0000 0.2601 ( 2466 PWs) bands (ev): -3.4749 -3.4749 -1.6548 -1.6548 5.8373 5.8373 6.9594 6.9594 7.3108 7.3108 7.5077 7.5077 8.1601 8.1601 8.4496 8.4496 9.0770 9.0770 9.3679 9.3679 9.5980 9.5980 9.6923 9.6923 9.8883 9.8883 9.9878 9.9878 10.0714 10.0714 10.4031 10.4031 10.9667 10.9667 11.1495 11.1495 14.2594 14.2594 15.9278 15.9278 16.1646 16.1646 17.4311 17.4311 k = 0.0000 0.0000 0.2477 ( 2466 PWs) bands (ev): -3.5208 -3.5208 -1.5864 -1.5864 5.7960 5.7960 6.9226 6.9226 7.2699 7.2699 7.5674 7.5674 8.1635 8.1635 8.4954 8.4954 9.0640 9.0640 9.3563 9.3563 9.5954 9.5954 9.6909 9.6909 9.8792 9.8792 10.0004 10.0004 10.0730 10.0730 10.4185 10.4185 11.0053 11.0053 11.2256 11.2256 14.1389 14.1389 15.9084 15.9084 16.0830 16.0830 17.5316 17.5316 k = 0.0000 0.0000 0.2353 ( 2462 PWs) bands (ev): -3.5647 -3.5647 -1.5194 -1.5194 5.7566 5.7566 6.8868 6.8868 7.2302 7.2302 7.6264 7.6264 8.1647 8.1647 8.5413 8.5413 9.0536 9.0536 9.3451 9.3451 9.5923 9.5923 9.6885 9.6885 9.8710 9.8710 10.0111 10.0111 10.0745 10.0745 10.4333 10.4333 11.0369 11.0369 11.3078 11.3078 14.0312 14.0312 15.8776 15.8776 16.0136 16.0136 17.6349 17.6349 k = 0.0000 0.0000 0.2229 ( 2463 PWs) bands (ev): -3.6065 -3.6065 -1.4539 -1.4539 5.7191 5.7191 6.8522 6.8522 7.1920 7.1920 7.6838 7.6838 8.1645 8.1645 8.5868 8.5868 9.0452 9.0452 9.3345 9.3345 9.5889 9.5889 9.6852 9.6852 9.8636 9.8636 10.0191 10.0191 10.0768 10.0768 10.4475 10.4475 11.0606 11.0606 11.3948 11.3948 13.9374 13.9374 15.8215 15.8215 15.9704 15.9704 17.7411 17.7411 k = 0.0000 0.0000 0.2105 ( 2461 PWs) bands (ev): -3.6463 -3.6463 -1.3902 -1.3902 5.6834 5.6834 6.8189 6.8189 7.1555 7.1555 7.7389 7.7389 8.1640 8.1640 8.6315 8.6315 9.0389 9.0389 9.3243 9.3243 9.5851 9.5851 9.6812 9.6812 9.8568 9.8568 10.0240 10.0240 10.0808 10.0808 10.4610 10.4610 11.0759 11.0759 11.4860 11.4860 13.8586 13.8586 15.7431 15.7431 15.9507 15.9507 17.8500 17.8500 k = 0.0000 0.0000 0.1981 ( 2465 PWs) bands (ev): -3.6840 -3.6840 -1.3285 -1.3285 5.6497 5.6497 6.7871 6.7871 7.1207 7.1207 7.7908 7.7908 8.1641 8.1641 8.6751 8.6751 9.0346 9.0346 9.3146 9.3146 9.5812 9.5812 9.6765 9.6765 9.8505 9.8505 10.0255 10.0255 10.0867 10.0867 10.4738 10.4738 11.0821 11.0821 11.5803 11.5803 13.7956 13.7956 15.6545 15.6545 15.9423 15.9423 17.9611 17.9611 k = 0.0000 0.0000 0.1858 ( 2465 PWs) bands (ev): -3.7195 -3.7195 -1.2691 -1.2691 5.6179 5.6179 6.7569 6.7569 7.0878 7.0878 7.8383 7.8383 8.1663 8.1663 8.7173 8.7173 9.0321 9.0321 9.3057 9.3057 9.5772 9.5772 9.6714 9.6714 9.8444 9.8444 10.0244 10.0244 10.0938 10.0938 10.4859 10.4859 11.0790 11.0790 11.6773 11.6773 13.7486 13.7486 15.5619 15.5619 15.9394 15.9394 18.0738 18.0738 k = 0.0000 0.0000 0.1734 ( 2471 PWs) bands (ev): -3.7529 -3.7529 -1.2121 -1.2121 5.5880 5.5880 6.7283 6.7283 7.0569 7.0569 7.8800 7.8800 8.1719 8.1719 8.7577 8.7577 9.0313 9.0313 9.2972 9.2972 9.5732 9.5732 9.6660 9.6660 9.8383 9.8383 10.0214 10.0214 10.1016 10.1016 10.4973 10.4973 11.0669 11.0669 11.7762 11.7762 13.7174 13.7174 15.4674 15.4674 15.9396 15.9396 18.1834 18.1834 k = 0.0000 0.0000 0.1610 ( 2467 PWs) bands (ev): -3.7841 -3.7841 -1.1577 -1.1577 5.5602 5.5602 6.7015 6.7015 7.0280 7.0280 7.9145 7.9145 8.1826 8.1826 8.7963 8.7963 9.0321 9.0321 9.2895 9.2895 9.5695 9.5695 9.6605 9.6605 9.8323 9.8323 10.0173 10.0173 10.1095 10.1095 10.5080 10.5080 11.0463 11.0463 11.8766 11.8766 13.7012 13.7012 15.3719 15.3719 15.9420 15.9420 18.2142 18.2142 k = 0.0000 0.0000 0.1486 ( 2463 PWs) bands (ev): -3.8131 -3.8131 -1.1063 -1.1063 5.5343 5.5343 6.6764 6.6764 7.0011 7.0011 7.9407 7.9407 8.1994 8.1994 8.8327 8.8327 9.0343 9.0343 9.2826 9.2826 9.5660 9.5660 9.6551 9.6551 9.8260 9.8260 10.0124 10.0124 10.1173 10.1173 10.5180 10.5180 11.0183 11.0183 11.9779 11.9779 13.6988 13.6988 15.2762 15.2762 15.9460 15.9460 18.1367 18.1367 k = 0.0000 0.0000 0.1362 ( 2463 PWs) bands (ev): -3.8398 -3.8398 -1.0580 -1.0580 5.5105 5.5105 6.6532 6.6532 6.9762 6.9762 7.9584 7.9584 8.2224 8.2224 8.8666 8.8666 9.0376 9.0376 9.2763 9.2763 9.5628 9.5628 9.6499 9.6499 9.8195 9.8195 10.0071 10.0071 10.1246 10.1246 10.5272 10.5272 10.9842 10.9842 12.0793 12.0793 13.7084 13.7084 15.1805 15.1805 15.9512 15.9512 18.0516 18.0516 k = 0.0000 0.0000 0.1238 ( 2447 PWs) bands (ev): -3.8643 -3.8643 -1.0131 -1.0131 5.4887 5.4887 6.6319 6.6319 6.9535 6.9535 7.9690 7.9690 8.2500 8.2500 8.8980 8.8980 9.0422 9.0422 9.2708 9.2708 9.5601 9.5601 9.6451 9.6451 9.8127 9.8127 10.0016 10.0016 10.1316 10.1316 10.5357 10.5357 10.9457 10.9457 12.1803 12.1803 13.7281 13.7281 15.0854 15.0854 15.9573 15.9573 17.9670 17.9670 k = 0.0000 0.0000 0.1115 ( 2453 PWs) bands (ev): -3.8864 -3.8864 -0.9717 -0.9717 5.4690 5.4690 6.6125 6.6125 6.9329 6.9329 7.9744 7.9744 8.2803 8.2803 8.9265 8.9265 9.0473 9.0473 9.2659 9.2659 9.5576 9.5576 9.6407 9.6407 9.8055 9.8055 9.9960 9.9960 10.1378 10.1378 10.5434 10.5434 10.9046 10.9046 12.2800 12.2800 13.7557 13.7557 14.9915 14.9915 15.9639 15.9639 17.8845 17.8845 k = 0.0000 0.0000 0.0991 ( 2455 PWs) bands (ev): -3.9063 -3.9063 -0.9341 -0.9341 5.4513 5.4513 6.5950 6.5950 6.9144 6.9144 7.9764 7.9764 8.3113 8.3113 8.9520 8.9520 9.0529 9.0529 9.2619 9.2619 9.5555 9.5555 9.6370 9.6370 9.7981 9.7981 9.9906 9.9906 10.1434 10.1434 10.5503 10.5503 10.8624 10.8624 12.3773 12.3773 13.7891 13.7891 14.8993 14.8993 15.9708 15.9708 17.8057 17.8057 k = 0.0000 0.0000 0.0867 ( 2457 PWs) bands (ev): -3.9239 -3.9239 -0.9004 -0.9004 5.4357 5.4357 6.5795 6.5795 6.8980 6.8980 7.9762 7.9762 8.3414 8.3414 8.9745 8.9745 9.0589 9.0589 9.2585 9.2585 9.5537 9.5537 9.6341 9.6341 9.7907 9.7907 9.9854 9.9854 10.1483 10.1483 10.5564 10.5564 10.8209 10.8209 12.4711 12.4711 13.8261 13.8261 14.8097 14.8097 15.9778 15.9778 17.7316 17.7316 k = 0.0000 0.0000 0.0743 ( 2453 PWs) bands (ev): -3.9392 -3.9392 -0.8709 -0.8709 5.4221 5.4221 6.5661 6.5661 6.8838 6.8838 7.9749 7.9749 8.3696 8.3696 8.9938 8.9938 9.0649 9.0649 9.2559 9.2559 9.5522 9.5522 9.6323 9.6323 9.7833 9.7833 9.9807 9.9807 10.1526 10.1526 10.5617 10.5617 10.7817 10.7817 12.5599 12.5599 13.8647 13.8647 14.7240 14.7240 15.9845 15.9845 17.6637 17.6637 k = 0.0000 0.0000 0.0619 ( 2457 PWs) bands (ev): -3.9521 -3.9521 -0.8456 -0.8456 5.4107 5.4107 6.5546 6.5546 6.8718 6.8718 7.9731 7.9731 8.3947 8.3947 9.0099 9.0099 9.0705 9.0705 9.2538 9.2538 9.5509 9.5509 9.6313 9.6313 9.7761 9.7761 9.9764 9.9764 10.1562 10.1562 10.5663 10.5663 10.7460 10.7460 12.6417 12.6417 13.9029 13.9029 14.6436 14.6436 15.9907 15.9907 17.6032 17.6032 k = 0.0000 0.0000 0.0495 ( 2455 PWs) bands (ev): -3.9627 -3.9627 -0.8247 -0.8247 5.4013 5.4013 6.5453 6.5453 6.8620 6.8620 7.9712 7.9712 8.4161 8.4161 9.0229 9.0229 9.0758 9.0758 9.2522 9.2522 9.5497 9.5497 9.6313 9.6313 9.7694 9.7694 9.9728 9.9728 10.1591 10.1591 10.5700 10.5700 10.7150 10.7150 12.7144 12.7144 13.9390 13.9390 14.5705 14.5705 15.9962 15.9962 17.5514 17.5514 k = 0.0000 0.0000 0.0372 ( 2455 PWs) bands (ev): -3.9710 -3.9710 -0.8083 -0.8083 5.3940 5.3940 6.5380 6.5380 6.8544 6.8544 7.9694 7.9694 8.4334 8.4334 9.0328 9.0328 9.0803 9.0803 9.2511 9.2511 9.5487 9.5487 9.6318 9.6318 9.7637 9.7637 9.9699 9.9699 10.1614 10.1614 10.5730 10.5730 10.6898 10.6898 12.7753 12.7753 13.9710 13.9710 14.5073 14.5073 16.0007 16.0007 17.5096 17.5096 k = 0.0000 0.0000 0.0248 ( 2449 PWs) bands (ev): -3.9769 -3.9769 -0.7966 -0.7966 5.3887 5.3887 6.5328 6.5328 6.8489 6.8489 7.9680 7.9680 8.4460 8.4460 9.0398 9.0398 9.0837 9.0837 9.2504 9.2504 9.5481 9.5481 9.6326 9.6326 9.7592 9.7592 9.9678 9.9678 10.1630 10.1630 10.5752 10.5752 10.6711 10.6711 12.8216 12.8216 13.9970 13.9970 14.4574 14.4574 16.0041 16.0041 17.4788 17.4788 k = 0.0000 0.0000 0.0124 ( 2457 PWs) bands (ev): -3.9804 -3.9804 -0.7895 -0.7895 5.3856 5.3856 6.5296 6.5296 6.8456 6.8456 7.9672 7.9672 8.4537 8.4537 9.0438 9.0438 9.0858 9.0858 9.2500 9.2500 9.5475 9.5475 9.6333 9.6333 9.7563 9.7563 9.9664 9.9664 10.1639 10.1639 10.5766 10.5766 10.6596 10.6596 12.8507 12.8507 14.0143 14.0143 14.4249 14.4249 16.0061 16.0061 17.4600 17.4600 k = 0.0000 0.0000 0.0000 ( 2461 PWs) bands (ev): -3.9816 -3.9816 -0.7871 -0.7871 5.3846 5.3846 6.5286 6.5286 6.8445 6.8445 7.9669 7.9669 8.4562 8.4562 9.0452 9.0452 9.0864 9.0864 9.2499 9.2499 9.5473 9.5473 9.6336 9.6336 9.7553 9.7553 9.9660 9.9660 10.1642 10.1642 10.5770 10.5770 10.6557 10.6557 12.8607 12.8607 14.0205 14.0205 14.4134 14.4134 16.0068 16.0068 17.4537 17.4537 k = 0.0000 0.0000 0.0000 ( 2461 PWs) bands (ev): -3.9816 -3.9816 -0.7871 -0.7871 5.3846 5.3846 6.5286 6.5286 6.8445 6.8445 7.9669 7.9669 8.4562 8.4562 9.0452 9.0452 9.0864 9.0864 9.2499 9.2499 9.5473 9.5473 9.6336 9.6336 9.7553 9.7553 9.9660 9.9660 10.1642 10.1642 10.5770 10.5770 10.6557 10.6557 12.8607 12.8607 14.0205 14.0205 14.4134 14.4134 16.0068 16.0068 17.4537 17.4537 k =-0.0093 0.0081-0.0000 ( 2455 PWs) bands (ev): -3.9805 -3.9805 -0.7876 -0.7876 5.3850 5.3850 6.5269 6.5269 6.8425 6.8425 7.9644 7.9644 8.4572 8.4572 9.0453 9.0453 9.0865 9.0865 9.2495 9.2495 9.5466 9.5466 9.6350 9.6350 9.7552 9.7552 9.9640 9.9640 10.1680 10.1680 10.5748 10.5748 10.6598 10.6598 12.8559 12.8559 13.9933 13.9933 14.4451 14.4451 16.0094 16.0094 17.4607 17.4607 k =-0.0185 0.0162-0.0000 ( 2461 PWs) bands (ev): -3.9773 -3.9773 -0.7892 -0.7892 5.3865 5.3865 6.5220 6.5220 6.8363 6.8363 7.9570 7.9570 8.4599 8.4599 9.0455 9.0455 9.0867 9.0867 9.2481 9.2481 9.5442 9.5442 9.6392 9.6392 9.7548 9.7548 9.9587 9.9587 10.1784 10.1784 10.5689 10.5689 10.6710 10.6710 12.8417 12.8417 13.9290 13.9290 14.5227 14.5227 16.0172 16.0172 17.4818 17.4818 k =-0.0278 0.0243-0.0000 ( 2459 PWs) bands (ev): -3.9719 -3.9719 -0.7917 -0.7917 5.3889 5.3889 6.5139 6.5139 6.8262 6.8262 7.9447 7.9447 8.4645 8.4645 9.0460 9.0460 9.0871 9.0871 9.2458 9.2458 9.5406 9.5406 9.6458 9.6458 9.7543 9.7543 9.9516 9.9516 10.1935 10.1935 10.5611 10.5611 10.6881 10.6881 12.8182 12.8182 13.8505 13.8505 14.6233 14.6233 16.0303 16.0303 17.5166 17.5166 k =-0.0370 0.0324-0.0000 ( 2457 PWs) bands (ev): -3.9643 -3.9643 -0.7952 -0.7952 5.3923 5.3923 6.5027 6.5027 6.8123 6.8123 7.9274 7.9274 8.4709 8.4709 9.0466 9.0466 9.0875 9.0875 9.2428 9.2428 9.5361 9.5361 9.6544 9.6544 9.7538 9.7538 9.9440 9.9440 10.2109 10.2109 10.5527 10.5527 10.7106 10.7106 12.7859 12.7859 13.7690 13.7690 14.7358 14.7358 16.0487 16.0487 17.5644 17.5644 k =-0.0463 0.0405-0.0000 ( 2468 PWs) bands (ev): -3.9546 -3.9546 -0.7998 -0.7998 5.3966 5.3966 6.4886 6.4886 6.7950 6.7950 7.9050 7.9050 8.4790 8.4790 9.0471 9.0471 9.0879 9.0879 9.2389 9.2389 9.5310 9.5310 9.6644 9.6644 9.7533 9.7533 9.9370 9.9370 10.2284 10.2284 10.5442 10.5442 10.7381 10.7381 12.7452 12.7452 13.6893 13.6893 14.8553 14.8553 16.0726 16.0726 17.6242 17.6242 k =-0.0556 0.0486-0.0000 ( 2470 PWs) bands (ev): -3.9427 -3.9427 -0.8053 -0.8053 5.4018 5.4018 6.4718 6.4718 6.7747 6.7747 7.8776 7.8776 8.4889 8.4889 9.0479 9.0479 9.0886 9.0886 9.2344 9.2344 9.5254 9.5254 9.6754 9.6754 9.7531 9.7531 9.9311 9.9311 10.2445 10.2445 10.5358 10.5358 10.7709 10.7709 12.6968 12.6968 13.6138 13.6138 14.9792 14.9792 16.1022 16.1022 17.6698 17.6698 k =-0.0648 0.0568 0.0000 ( 2476 PWs) bands (ev): -3.9287 -3.9287 -0.8118 -0.8118 5.4079 5.4079 6.4524 6.4524 6.7518 6.7518 7.8451 7.8451 8.5006 8.5006 9.0485 9.0485 9.0895 9.0895 9.2293 9.2293 9.5195 9.5195 9.6868 9.6868 9.7536 9.7536 9.9267 9.9267 10.2578 10.2578 10.5278 10.5278 10.8088 10.8088 12.6412 12.6412 13.5443 13.5443 15.1060 15.1060 16.1374 16.1374 17.5377 17.5377 k =-0.0741 0.0649 0.0000 ( 2468 PWs) bands (ev): -3.9126 -3.9126 -0.8193 -0.8193 5.4148 5.4148 6.4306 6.4306 6.7268 6.7268 7.8077 7.8077 8.5140 8.5140 9.0493 9.0493 9.0907 9.0907 9.2238 9.2238 9.5136 9.5136 9.6981 9.6981 9.7553 9.7553 9.9238 9.9238 10.2677 10.2677 10.5200 10.5200 10.8514 10.8514 12.5792 12.5792 13.4818 13.4818 15.2344 15.2344 16.1785 16.1785 17.3922 17.3922 k =-0.0833 0.0730 0.0000 ( 2468 PWs) bands (ev): -3.8945 -3.8945 -0.8278 -0.8278 5.4225 5.4225 6.4066 6.4066 6.7001 6.7001 7.7655 7.7655 8.5288 8.5288 9.0499 9.0499 9.0919 9.0919 9.2182 9.2182 9.5076 9.5076 9.7082 9.7082 9.7588 9.7588 9.9222 9.9222 10.2741 10.2741 10.5124 10.5124 10.8978 10.8978 12.5114 12.5114 13.4274 13.4274 15.3632 15.3632 16.2256 16.2256 17.2426 17.2426 k =-0.0926 0.0811 0.0000 ( 2466 PWs) bands (ev): -3.8742 -3.8742 -0.8373 -0.8373 5.4310 5.4310 6.3806 6.3806 6.6724 6.6724 7.7186 7.7186 8.5450 8.5450 9.0504 9.0504 9.0932 9.0932 9.2126 9.2126 9.5017 9.5017 9.7163 9.7163 9.7648 9.7648 9.9220 9.9220 10.2771 10.2771 10.5049 10.5049 10.9466 10.9466 12.4385 12.4385 13.3821 13.3821 15.4914 15.4914 16.2786 16.2786 17.0910 17.0910 k =-0.1019 0.0892 0.0000 ( 2476 PWs) bands (ev): -3.8519 -3.8519 -0.8477 -0.8477 5.4402 5.4402 6.3526 6.3526 6.6440 6.6440 7.6673 7.6673 8.5623 8.5623 9.0508 9.0508 9.0944 9.0944 9.2073 9.2073 9.4958 9.4958 9.7218 9.7218 9.7736 9.7736 9.9228 9.9228 10.2772 10.2772 10.4970 10.4970 10.9963 10.9963 12.3612 12.3612 13.3469 13.3469 15.6177 15.6177 16.3375 16.3375 16.9396 16.9396 k =-0.1111 0.0973 0.0000 ( 2476 PWs) bands (ev): -3.8276 -3.8276 -0.8591 -0.8591 5.4499 5.4499 6.3229 6.3229 6.6155 6.6155 7.6121 7.6121 8.5807 8.5807 9.0509 9.0509 9.0954 9.0954 9.2029 9.2029 9.4902 9.4902 9.7253 9.7253 9.7845 9.7845 9.9247 9.9247 10.2748 10.2748 10.4889 10.4889 11.0452 11.0452 12.2802 12.2802 13.3228 13.3228 15.7408 15.7408 16.4016 16.4016 16.7904 16.7904 k =-0.1204 0.1054 0.0000 ( 2476 PWs) bands (ev): -3.8013 -3.8013 -0.8713 -0.8713 5.4600 5.4600 6.2917 6.2917 6.5872 6.5872 7.5533 7.5533 8.5998 8.5998 9.0507 9.0507 9.0961 9.0961 9.1998 9.1998 9.4848 9.4848 9.7274 9.7274 9.7966 9.7966 9.9274 9.9274 10.2705 10.2705 10.4803 10.4803 11.0913 11.0913 12.1963 12.1963 13.3108 13.3108 15.8590 15.8590 16.4671 16.4671 16.6485 16.6485 k =-0.1296 0.1135 0.0000 ( 2480 PWs) bands (ev): -3.7730 -3.7730 -0.8845 -0.8845 5.4704 5.4704 6.2591 6.2591 6.5593 6.5593 7.4915 7.4915 8.6192 8.6192 9.0501 9.0501 9.0962 9.0962 9.1985 9.1985 9.4798 9.4798 9.7287 9.7287 9.8090 9.8090 9.9307 9.9307 10.2646 10.2646 10.4709 10.4709 11.1330 11.1330 12.1099 12.1099 13.3117 13.3117 15.9700 15.9700 16.4711 16.4711 16.5787 16.5787 k =-0.1389 0.1216-0.0000 ( 2480 PWs) bands (ev): -3.7428 -3.7428 -0.8986 -0.8986 5.4809 5.4809 6.2256 6.2256 6.5321 6.5321 7.4273 7.4273 8.6387 8.6387 9.0488 9.0488 9.0956 9.0956 9.1997 9.1997 9.4751 9.4751 9.7297 9.7297 9.8213 9.8213 9.9346 9.9346 10.2576 10.2576 10.4608 10.4608 11.1687 11.1687 12.0220 12.0220 13.3261 13.3261 16.0676 16.0676 16.3539 16.3539 16.6457 16.6457 k =-0.1481 0.1297 0.0000 ( 2472 PWs) bands (ev): -3.7108 -3.7108 -0.9136 -0.9136 5.4913 5.4913 6.1915 6.1915 6.5052 6.5052 7.3617 7.3617 8.6580 8.6580 9.0467 9.0467 9.0947 9.0947 9.2038 9.2038 9.4709 9.4709 9.7303 9.7303 9.8331 9.8331 9.9391 9.9391 10.2498 10.2498 10.4498 10.4498 11.1971 11.1971 11.9329 11.9329 13.3542 13.3542 16.1148 16.1148 16.2701 16.2701 16.7309 16.7309 k =-0.1574 0.1378-0.0000 ( 2476 PWs) bands (ev): -3.6769 -3.6769 -0.9293 -0.9293 5.5011 5.5011 6.1573 6.1573 6.4785 6.4785 7.2955 7.2955 8.6765 8.6765 9.0432 9.0432 9.0937 9.0937 9.2109 9.2109 9.4669 9.4669 9.7308 9.7308 9.8442 9.8442 9.9438 9.9438 10.2414 10.2414 10.4379 10.4379 11.2174 11.2174 11.8433 11.8433 13.3958 13.3958 16.0357 16.0357 16.3062 16.3062 16.8223 16.8223 k =-0.1667 0.1459 0.0000 ( 2476 PWs) bands (ev): -3.6412 -3.6412 -0.9459 -0.9459 5.5099 5.5099 6.1236 6.1236 6.4513 6.4513 7.2299 7.2299 8.6937 8.6937 9.0383 9.0383 9.0932 9.0932 9.2213 9.2213 9.4633 9.4633 9.7310 9.7310 9.8544 9.8544 9.9489 9.9489 10.2325 10.2325 10.4250 10.4250 11.2290 11.2290 11.7538 11.7538 13.4503 13.4503 15.9175 15.9175 16.3748 16.3748 16.9188 16.9188 k =-0.1759 0.1541-0.0000 ( 2486 PWs) bands (ev): -3.6037 -3.6037 -0.9633 -0.9633 5.5172 5.5172 6.0911 6.0911 6.4228 6.4228 7.1663 7.1663 8.7093 8.7093 9.0318 9.0318 9.0934 9.0934 9.2349 9.2349 9.4597 9.4597 9.7310 9.7310 9.8638 9.8638 9.9541 9.9541 10.2233 10.2233 10.4111 10.4111 11.2322 11.2322 11.6648 11.6648 13.5162 13.5162 15.7980 15.7980 16.4372 16.4372 17.0203 17.0203 k =-0.1852 0.1622 0.0000 ( 2486 PWs) bands (ev): -3.5646 -3.5646 -0.9814 -0.9814 5.5223 5.5223 6.0605 6.0605 6.3920 6.3920 7.1064 7.1064 8.7229 8.7229 9.0238 9.0238 9.0947 9.0947 9.2517 9.2517 9.4568 9.4568 9.7309 9.7309 9.8722 9.8722 9.9595 9.9595 10.2139 10.2139 10.3962 10.3962 11.2272 11.2272 11.5770 11.5770 13.5915 13.5915 15.6832 15.6832 16.4869 16.4869 17.1271 17.1271 k =-0.1944 0.1703-0.0000 ( 2486 PWs) bands (ev): -3.5238 -3.5238 -1.0002 -1.0002 5.5245 5.5245 6.0325 6.0325 6.3579 6.3579 7.0520 7.0520 8.7342 8.7342 9.0146 9.0146 9.0970 9.0970 9.2715 9.2715 9.4541 9.4541 9.7305 9.7305 9.8796 9.8796 9.9650 9.9650 10.2043 10.2043 10.3803 10.3803 11.2149 11.2149 11.4908 11.4908 13.6736 13.6736 15.5751 15.5751 16.5218 16.5218 17.2398 17.2398 k =-0.2037 0.1784 0.0000 ( 2486 PWs) bands (ev): -3.4815 -3.4815 -1.0197 -1.0197 5.5229 5.5229 6.0077 6.0077 6.3196 6.3196 7.0047 7.0047 8.7427 8.7427 9.0045 9.0045 9.1003 9.1003 9.2940 9.2940 9.4519 9.4519 9.7299 9.7299 9.8862 9.8862 9.9705 9.9705 10.1946 10.1946 10.3637 10.3637 11.1959 11.1959 11.4067 11.4067 13.7591 13.7591 15.4755 15.4755 16.5416 16.5416 17.3587 17.3587 k =-0.2130 0.1865-0.0000 ( 2498 PWs) bands (ev): -3.4376 -3.4376 -1.0398 -1.0398 5.5168 5.5168 5.9859 5.9859 6.2770 6.2770 6.9661 6.9661 8.7483 8.7483 8.9937 8.9937 9.1044 9.1044 9.3189 9.3189 9.4499 9.4499 9.7289 9.7289 9.8918 9.8918 9.9760 9.9760 10.1846 10.1846 10.3462 10.3462 11.1711 11.1711 11.3255 11.3255 13.8438 13.8438 15.3866 15.3866 16.5474 16.5474 17.4837 17.4837 k =-0.2222 0.1946 0.0000 ( 2498 PWs) bands (ev): -3.3923 -3.3923 -1.0605 -1.0605 5.5059 5.5059 5.9660 5.9660 6.2314 6.2314 6.9369 6.9369 8.7510 8.7510 8.9824 8.9824 9.1092 9.1092 9.3457 9.3457 9.4485 9.4485 9.7278 9.7278 9.8965 9.8965 9.9815 9.9815 10.1745 10.1745 10.3282 10.3282 11.1414 11.1414 11.2479 11.2479 13.9223 13.9223 15.3109 15.3109 16.5418 16.5418 17.6145 17.6145 k =-0.2315 0.2027-0.0000 ( 2502 PWs) bands (ev): -3.3457 -3.3457 -1.0818 -1.0818 5.4899 5.4899 5.9448 5.9448 6.1863 6.1863 6.9173 6.9173 8.7507 8.7507 8.9707 8.9707 9.1147 9.1147 9.3733 9.3733 9.4479 9.4479 9.7263 9.7263 9.9004 9.9004 9.9869 9.9869 10.1641 10.1641 10.3098 10.3098 11.1067 11.1067 11.1754 11.1754 13.9882 13.9882 15.2517 15.2517 16.5286 16.5286 17.7490 17.7490 k =-0.2407 0.2108 0.0000 ( 2502 PWs) bands (ev): -3.2977 -3.2977 -1.1036 -1.1036 5.4693 5.4693 5.9164 5.9164 6.1481 6.1481 6.9071 6.9071 8.7474 8.7474 8.9588 8.9588 9.1208 9.1208 9.4001 9.4001 9.4491 9.4491 9.7246 9.7246 9.9034 9.9034 9.9922 9.9922 10.1535 10.1535 10.2915 10.2915 11.0655 11.0655 11.1109 11.1109 14.0347 14.0347 15.2120 15.2120 16.5128 16.5128 17.8672 17.8672 k =-0.2500 0.2189 0.0000 ( 2486 PWs) bands (ev): -3.2486 -3.2486 -1.1258 -1.1258 5.4447 5.4447 5.8743 5.8743 6.1238 6.1238 6.9053 6.9053 8.7411 8.7411 8.9471 8.9471 9.1275 9.1275 9.4214 9.4214 9.4561 9.4561 9.7226 9.7226 9.9056 9.9056 9.9974 9.9974 10.1427 10.1427 10.2738 10.2738 11.0150 11.0150 11.0589 11.0589 14.0563 14.0563 15.1930 15.1930 16.5001 16.5001 17.8262 17.8262 k =-0.2593 0.2270 0.0000 ( 2486 PWs) bands (ev): -3.1984 -3.1984 -1.1485 -1.1485 5.4168 5.4168 5.8166 5.8166 6.1157 6.1157 6.9110 6.9110 8.7317 8.7317 8.9351 8.9351 9.1347 9.1347 9.4306 9.4306 9.4742 9.4742 9.7202 9.7202 9.9068 9.9068 10.0023 10.0023 10.1315 10.1315 10.2570 10.2570 10.9599 10.9599 11.0158 11.0158 14.0502 14.0502 15.1919 15.1919 16.4972 16.4972 17.6529 17.6529 k =-0.2685 0.2351-0.0000 ( 2486 PWs) bands (ev): -3.1471 -3.1471 -1.1716 -1.1716 5.3865 5.3865 5.7470 5.7470 6.1209 6.1209 6.9234 6.9234 8.7194 8.7194 8.9231 8.9231 9.1421 9.1421 9.4329 9.4329 9.4974 9.4974 9.7176 9.7176 9.9068 9.9068 10.0069 10.0069 10.1201 10.1201 10.2417 10.2417 10.9073 10.9073 10.9761 10.9761 14.0181 14.0181 15.2017 15.2017 16.5111 16.5111 17.4650 17.4650 k =-0.2778 0.2432-0.0000 ( 2486 PWs) bands (ev): -3.0950 -3.0950 -1.1950 -1.1950 5.3544 5.3544 5.6696 5.6696 6.1354 6.1354 6.9415 6.9415 8.7040 8.7040 8.9112 8.9112 9.1502 9.1502 9.4333 9.4333 9.5197 9.5197 9.7147 9.7147 9.9054 9.9054 10.0110 10.0110 10.1086 10.1086 10.2285 10.2285 10.8604 10.8604 10.9383 10.9383 13.9641 13.9641 15.2133 15.2133 16.5476 16.5476 17.2762 17.2762 k =-0.2870 0.2514 0.0000 ( 2492 PWs) bands (ev): -3.0420 -3.0420 -1.2188 -1.2188 5.3208 5.3208 5.5879 5.5879 6.1563 6.1563 6.9647 6.9647 8.6855 8.6855 8.8995 8.8995 9.1585 9.1585 9.4330 9.4330 9.5389 9.5389 9.7114 9.7114 9.9022 9.9022 10.0146 10.0146 10.0973 10.0973 10.2174 10.2174 10.8207 10.8207 10.9022 10.9022 13.8929 13.8929 15.2188 15.2188 16.6102 16.6102 17.0892 17.0892 k =-0.2963 0.2595 0.0000 ( 2488 PWs) bands (ev): -2.9884 -2.9884 -1.2429 -1.2429 5.2862 5.2862 5.5042 5.5042 6.1820 6.1820 6.9923 6.9923 8.6640 8.6640 8.8880 8.8880 9.1673 9.1673 9.4325 9.4325 9.5537 9.5537 9.7079 9.7079 9.8972 9.8972 10.0172 10.0172 10.0867 10.0867 10.2082 10.2082 10.7895 10.7895 10.8686 10.8686 13.8088 13.8088 15.2140 15.2140 16.6958 16.6958 16.9091 16.9091 k =-0.3056 0.2676-0.0000 ( 2486 PWs) bands (ev): -2.9341 -2.9341 -1.2673 -1.2673 5.2500 5.2500 5.4206 5.4206 6.2114 6.2114 7.0237 7.0237 8.6393 8.6393 8.8768 8.8768 9.1765 9.1765 9.4321 9.4321 9.5639 9.5639 9.7039 9.7039 9.8902 9.8902 10.0185 10.0185 10.0774 10.0774 10.2000 10.2000 10.7675 10.7675 10.8382 10.8382 13.7149 13.7149 15.1983 15.1983 16.6934 16.6934 16.8452 16.8452 k =-0.3148 0.2757 0.0000 ( 2486 PWs) bands (ev): -2.8795 -2.8795 -1.2919 -1.2919 5.2111 5.2111 5.3397 5.3397 6.2437 6.2437 7.0586 7.0586 8.6116 8.6116 8.8658 8.8658 9.1859 9.1859 9.4317 9.4317 9.5692 9.5692 9.6995 9.6995 9.8812 9.8812 10.0180 10.0180 10.0703 10.0703 10.1917 10.1917 10.7541 10.7541 10.8132 10.8132 13.6136 13.6136 15.1733 15.1733 16.5239 16.5239 16.9738 16.9738 k =-0.3241 0.2838-0.0000 ( 2484 PWs) bands (ev): -2.8244 -2.8244 -1.3169 -1.3169 5.1655 5.1655 5.2666 5.2666 6.2783 6.2783 7.0964 7.0964 8.5807 8.5807 8.8552 8.8552 9.1956 9.1956 9.4315 9.4315 9.5700 9.5700 9.6947 9.6947 9.8705 9.8705 10.0153 10.0153 10.0658 10.0658 10.1818 10.1818 10.7446 10.7446 10.7993 10.7993 13.5068 13.5068 15.1417 15.1417 16.3467 16.3467 17.1314 17.1314 k =-0.3333 0.2919-0.0000 ( 2480 PWs) bands (ev): -2.7692 -2.7692 -1.3420 -1.3420 5.1074 5.1074 5.2079 5.2079 6.3150 6.3150 7.1366 7.1366 8.5469 8.5469 8.8450 8.8450 9.2055 9.2055 9.4314 9.4314 9.5670 9.5670 9.6895 9.6895 9.8582 9.8582 10.0106 10.0106 10.0638 10.0638 10.1695 10.1695 10.7317 10.7317 10.8043 10.8043 13.3959 13.3959 15.1062 15.1062 16.1714 16.1714 17.3052 17.3052 k =-0.3426 0.3000 0.0000 ( 2484 PWs) bands (ev): -2.7139 -2.7139 -1.3675 -1.3675 5.0372 5.0372 5.1639 5.1639 6.3534 6.3534 7.1790 7.1790 8.5101 8.5101 8.8351 8.8351 9.2155 9.2155 9.4316 9.4316 9.5609 9.5609 9.6840 9.6840 9.8447 9.8447 10.0046 10.0046 10.0635 10.0635 10.1544 10.1544 10.7155 10.7155 10.8271 10.8271 13.2821 13.2821 15.0687 15.0687 15.9991 15.9991 17.4514 17.4514 k =-0.3519 0.3081 0.0000 ( 2488 PWs) bands (ev): -2.6587 -2.6587 -1.3932 -1.3932 4.9617 4.9617 5.1285 5.1285 6.3932 6.3932 7.2229 7.2229 8.4706 8.4706 8.8256 8.8256 9.2255 9.2255 9.4321 9.4321 9.5526 9.5526 9.6784 9.6784 9.8301 9.8301 9.9981 9.9981 10.0642 10.0642 10.1368 10.1368 10.6999 10.6999 10.8631 10.8631 13.1665 13.1665 15.0310 15.0310 15.8305 15.8305 17.4224 17.4224 k =-0.3611 0.3162-0.0000 ( 2488 PWs) bands (ev): -2.6037 -2.6037 -1.4193 -1.4193 4.8855 4.8855 5.0976 5.0976 6.4342 6.4342 7.2681 7.2681 8.4286 8.4286 8.8166 8.8166 9.2356 9.2356 9.4329 9.4329 9.5427 9.5427 9.6727 9.6727 9.8147 9.8147 9.9917 9.9917 10.0651 10.0651 10.1174 10.1174 10.6864 10.6864 10.9089 10.9089 13.0501 13.0501 14.9939 14.9939 15.6660 15.6660 17.3945 17.3945 k =-0.3704 0.3243-0.0000 ( 2488 PWs) bands (ev): -2.5490 -2.5490 -1.4456 -1.4456 4.8109 4.8109 5.0696 5.0696 6.4761 6.4761 7.3141 7.3141 8.3845 8.3845 8.8082 8.8082 9.2455 9.2455 9.4342 9.4342 9.5321 9.5321 9.6671 9.6671 9.7987 9.7987 9.9855 9.9855 10.0651 10.0651 10.0977 10.0977 10.6758 10.6758 10.9623 10.9623 12.9338 12.9338 14.9584 14.9584 15.5059 15.5059 17.3684 17.3684 k =-0.3796 0.3324 0.0000 ( 2484 PWs) bands (ev): -2.4947 -2.4947 -1.4723 -1.4723 4.7388 4.7388 5.0439 5.0439 6.5188 6.5188 7.3604 7.3604 8.3387 8.3387 8.8002 8.8002 9.2552 9.2552 9.4359 9.4359 9.5214 9.5214 9.6616 9.6616 9.7825 9.7825 9.9795 9.9795 10.0598 10.0598 10.0824 10.0824 10.6682 10.6682 11.0216 11.0216 12.8186 12.8186 14.9247 14.9247 15.3509 15.3509 17.3442 17.3442 k =-0.3889 0.3405 0.0000 ( 2488 PWs) bands (ev): -2.4411 -2.4411 -1.4994 -1.4994 4.6701 4.6701 5.0202 5.0202 6.5619 6.5619 7.4064 7.4064 8.2914 8.2914 8.7927 8.7927 9.2645 9.2645 9.4377 9.4377 9.5114 9.5114 9.6562 9.6562 9.7661 9.7661 9.9736 9.9736 10.0436 10.0436 10.0780 10.0780 10.6635 10.6635 11.0853 11.0853 12.7054 12.7054 14.8930 14.8930 15.2017 15.2017 17.3218 17.3218 k =-0.3981 0.3487-0.0000 ( 2494 PWs) bands (ev): -2.3883 -2.3883 -1.5270 -1.5270 4.6051 4.6051 4.9983 4.9983 6.6052 6.6052 7.4518 7.4518 8.2433 8.2433 8.7858 8.7858 9.2733 9.2733 9.4390 9.4390 9.5029 9.5029 9.6510 9.6510 9.7500 9.7500 9.9673 9.9673 10.0233 10.0233 10.0782 10.0782 10.6617 10.6617 11.1518 11.1518 12.5950 12.5950 14.8625 14.8625 15.0596 15.0596 17.3012 17.3012 k =-0.4074 0.3568-0.0000 ( 2496 PWs) bands (ev): -2.3362 -2.3362 -1.5551 -1.5551 4.5444 4.5444 4.9784 4.9784 6.6484 6.6484 7.4960 7.4960 8.1948 8.1948 8.7794 8.7794 9.2818 9.2818 9.4390 9.4390 9.4972 9.4972 9.6461 9.6461 9.7344 9.7344 9.9596 9.9596 10.0040 10.0040 10.0793 10.0793 10.6627 10.6627 11.2201 11.2201 12.4885 12.4885 14.8294 14.8294 14.9292 14.9292 17.2824 17.2824 k =-0.4167 0.3649 0.0000 ( 2500 PWs) bands (ev): -2.2852 -2.2852 -1.5838 -1.5838 4.4882 4.4882 4.9603 4.9603 6.6910 6.6910 7.5384 7.5384 8.1466 8.1466 8.7736 8.7736 9.2897 9.2897 9.4367 9.4367 9.4955 9.4955 9.6414 9.6414 9.7192 9.7192 9.9489 9.9489 9.9884 9.9884 10.0807 10.0807 10.6663 10.6663 11.2888 11.2888 12.3867 12.3867 14.7635 14.7635 14.8413 14.8413 17.2655 17.2655 k =-0.4259 0.3730 0.0000 ( 2504 PWs) bands (ev): -2.2352 -2.2352 -1.6132 -1.6132 4.4371 4.4371 4.9440 4.9440 6.7326 6.7326 7.5784 7.5784 8.0994 8.0994 8.7683 8.7683 9.2971 9.2971 9.4317 9.4317 9.4981 9.4981 9.6371 9.6371 9.7047 9.7047 9.9341 9.9341 9.9779 9.9779 10.0820 10.0820 10.6720 10.6720 11.3567 11.3567 12.2907 12.2907 14.6537 14.6537 14.8082 14.8082 17.2503 17.2503 k =-0.4352 0.3811-0.0000 ( 2504 PWs) bands (ev): -2.1865 -2.1865 -1.6434 -1.6434 4.3912 4.3912 4.9296 4.9296 6.7726 6.7726 7.6157 7.6157 8.0537 8.0537 8.7637 8.7637 9.3042 9.3042 9.4246 9.4246 9.5045 9.5045 9.6332 9.6332 9.6908 9.6908 9.9170 9.9170 9.9715 9.9715 10.0833 10.0833 10.6796 10.6796 11.4225 11.4225 12.2014 12.2014 14.5434 14.5434 14.7873 14.7873 17.2370 17.2370 k =-0.4444 0.3892 0.0000 ( 2502 PWs) bands (ev): -2.1389 -2.1389 -1.6743 -1.6743 4.3509 4.3509 4.9172 4.9172 6.8103 6.8103 7.6496 7.6496 8.0104 8.0104 8.7598 8.7598 9.3109 9.3109 9.4164 9.4164 9.5136 9.5136 9.6297 9.6297 9.6775 9.6775 9.8997 9.8997 9.9672 9.9672 10.0844 10.0844 10.6885 10.6885 11.4847 11.4847 12.1201 12.1201 14.4417 14.4417 14.7708 14.7708 17.2255 17.2255 k =-0.4537 0.3973-0.0000 ( 2504 PWs) bands (ev): -2.0927 -2.0927 -1.7062 -1.7062 4.3163 4.3163 4.9066 4.9066 6.8449 6.8449 7.6797 7.6797 7.9706 7.9706 8.7564 8.7564 9.3173 9.3173 9.4078 9.4078 9.5244 9.5244 9.6266 9.6266 9.6647 9.6647 9.8835 9.8835 9.9641 9.9641 10.0854 10.0854 10.6981 10.6981 11.5418 11.5418 12.0478 12.0478 14.3512 14.3512 14.7573 14.7573 17.2157 17.2157 k =-0.4630 0.4054-0.0000 ( 2500 PWs) bands (ev): -2.0479 -2.0479 -1.7392 -1.7392 4.2877 4.2877 4.8979 4.8979 6.8755 6.8755 7.7056 7.7056 7.9350 7.9350 8.7537 8.7537 9.3235 9.3235 9.3994 9.3994 9.5365 9.5365 9.6240 9.6240 9.6522 9.6522 9.8692 9.8692 9.9617 9.9617 10.0861 10.0861 10.7077 10.7077 11.5922 11.5922 11.9858 11.9858 14.2738 14.2738 14.7465 14.7465 17.2077 17.2077 k =-0.4722 0.4135 0.0000 ( 2496 PWs) bands (ev): -2.0045 -2.0045 -1.7732 -1.7732 4.2653 4.2653 4.8911 4.8911 6.9010 6.9010 7.7268 7.7268 7.9050 7.9050 8.7515 8.7515 9.3293 9.3293 9.3916 9.3916 9.5490 9.5490 9.6219 9.6219 9.6401 9.6401 9.8574 9.8574 9.9600 9.9600 10.0868 10.0868 10.7164 10.7164 11.6343 11.6343 11.9353 11.9353 14.2113 14.2113 14.7383 14.7383 17.2015 17.2015 k =-0.4815 0.4216 0.0000 ( 2496 PWs) bands (ev): -1.9626 -1.9626 -1.8084 -1.8084 4.2492 4.2492 4.8863 4.8863 6.9203 6.9203 7.7431 7.7431 7.8816 7.8816 8.7500 8.7500 9.3346 9.3346 9.3847 9.3847 9.5613 9.5613 9.6200 9.6200 9.6289 9.6289 9.8487 9.8487 9.9589 9.9589 10.0872 10.0872 10.7235 10.7235 11.6663 11.6663 11.8976 11.8976 14.1652 14.1652 14.7324 14.7324 17.1971 17.1971 k =-0.4907 0.4297-0.0000 ( 2494 PWs) bands (ev): -1.9221 -1.9221 -1.8447 -1.8447 4.2395 4.2395 4.8834 4.8834 6.9323 6.9323 7.7536 7.7536 7.8664 7.8664 8.7491 8.7491 9.3385 9.3385 9.3797 9.3797 9.5719 9.5719 9.6164 9.6164 9.6216 9.6216 9.8433 9.8433 9.9583 9.9583 10.0875 10.0875 10.7281 10.7281 11.6866 11.6866 11.8740 11.8740 14.1370 14.1370 14.7289 14.7289 17.1944 17.1944 k =-0.5000 0.4378 0.0000 ( 2486 PWs) bands (ev): -1.8869 -1.8869 -1.8786 -1.8786 4.2363 4.2363 4.8824 4.8824 6.9364 6.9364 7.7573 7.7573 7.8611 7.8611 8.7488 8.7488 9.3401 9.3401 9.3779 9.3779 9.5767 9.5767 9.6126 9.6126 9.6205 9.6205 9.8415 9.8415 9.9580 9.9580 10.0876 10.0876 10.7298 10.7298 11.6937 11.6937 11.8659 11.8659 14.1275 14.1275 14.7278 14.7278 17.1936 17.1936 k =-0.5000 0.4378 0.0000 ( 2486 PWs) bands (ev): -1.8869 -1.8869 -1.8786 -1.8786 4.2363 4.2363 4.8824 4.8824 6.9364 6.9364 7.7573 7.7573 7.8611 7.8611 8.7488 8.7488 9.3401 9.3401 9.3779 9.3779 9.5767 9.5767 9.6126 9.6126 9.6205 9.6205 9.8415 9.8415 9.9580 9.9580 10.0876 10.0876 10.7298 10.7298 11.6937 11.6937 11.8659 11.8659 14.1275 14.1275 14.7278 14.7278 17.1936 17.1936 k =-0.4927 0.4462-0.0000 ( 2490 PWs) bands (ev): -1.8863 -1.8863 -1.8800 -1.8800 4.2343 4.2343 4.8869 4.8869 6.9371 6.9371 7.7578 7.7578 7.8578 7.8578 8.7504 8.7504 9.3380 9.3380 9.3778 9.3778 9.5756 9.5756 9.6114 9.6114 9.6224 9.6224 9.8325 9.8325 9.9585 9.9585 10.0877 10.0877 10.7406 10.7406 11.6941 11.6941 11.8682 11.8682 14.1271 14.1271 14.7319 14.7319 17.1981 17.1981 k =-0.4854 0.4545-0.0000 ( 2494 PWs) bands (ev): -1.8847 -1.8847 -1.8841 -1.8841 4.2285 4.2285 4.9003 4.9003 6.9390 6.9390 7.7594 7.7594 7.8478 7.8478 8.7552 8.7552 9.3315 9.3315 9.3775 9.3775 9.5719 9.5719 9.6094 9.6094 9.6265 9.6265 9.8074 9.8074 9.9599 9.9599 10.0880 10.0880 10.7714 10.7714 11.6955 11.6955 11.8753 11.8753 14.1261 14.1261 14.7443 14.7443 17.2117 17.2117 k =-0.4781 0.4628-0.0000 ( 2494 PWs) bands (ev): -1.8914 -1.8914 -1.8815 -1.8815 4.2195 4.2195 4.9219 4.9219 6.9424 6.9424 7.7619 7.7619 7.8316 7.8316 8.7629 8.7629 9.3195 9.3195 9.3767 9.3767 9.5655 9.5655 9.6073 9.6073 9.6316 9.6316 9.7724 9.7724 9.9624 9.9624 10.0885 10.0885 10.8181 10.8181 11.6978 11.6978 11.8871 11.8871 14.1246 14.1246 14.7649 14.7649 17.2344 17.2344 k =-0.4709 0.4711-0.0000 ( 2490 PWs) bands (ev): -1.9013 -1.9013 -1.8774 -1.8774 4.2083 4.2083 4.9508 4.9508 6.9470 6.9470 7.7655 7.7655 7.8096 7.8096 8.7731 8.7731 9.2998 9.2998 9.3753 9.3753 9.5561 9.5561 9.6049 9.6049 9.6373 9.6373 9.7355 9.7355 9.9662 9.9662 10.0895 10.0895 10.8759 10.8759 11.7010 11.7010 11.9037 11.9037 14.1226 14.1226 14.7938 14.7938 17.2658 17.2658 k =-0.4636 0.4794-0.0000 ( 2492 PWs) bands (ev): -1.9140 -1.9140 -1.8721 -1.8721 4.1957 4.1957 4.9860 4.9860 6.9530 6.9530 7.7700 7.7700 7.7824 7.7824 8.7848 8.7848 9.2691 9.2691 9.3730 9.3730 9.5439 9.5439 9.6015 9.6015 9.6433 9.6433 9.7048 9.7048 9.9711 9.9711 10.0909 10.0909 10.9405 10.9405 11.7052 11.7052 11.9250 11.9250 14.1204 14.1204 14.8309 14.8309 17.3059 17.3059 k =-0.4563 0.4878-0.0000 ( 2498 PWs) bands (ev): -1.9294 -1.9294 -1.8656 -1.8656 4.1827 4.1827 5.0266 5.0266 6.9603 6.9603 7.7504 7.7504 7.7756 7.7756 8.7977 8.7977 9.2247 9.2247 9.3698 9.3698 9.5306 9.5306 9.5971 9.5971 9.6489 9.6489 9.6853 9.6853 9.9769 9.9769 10.0930 10.0930 11.0087 11.0087 11.7103 11.7103 11.9510 11.9510 14.1183 14.1183 14.8762 14.8762 17.3544 17.3544 k =-0.4490 0.4961-0.0000 ( 2502 PWs) bands (ev): -1.9474 -1.9474 -1.8580 -1.8580 4.1700 4.1700 5.0716 5.0716 6.9689 6.9689 7.7145 7.7145 7.7821 7.7821 8.8110 8.8110 9.1662 9.1662 9.3659 9.3659 9.5190 9.5190 9.5919 9.5919 9.6527 9.6527 9.6779 9.6779 9.9834 9.9834 10.0961 10.0961 11.0783 11.0783 11.7164 11.7164 11.9819 11.9819 14.1164 14.1164 14.9298 14.9298 17.4110 17.4110 k =-0.4417 0.5044-0.0000 ( 2506 PWs) bands (ev): -1.9680 -1.9680 -1.8492 -1.8492 4.1582 4.1582 5.1204 5.1204 6.9788 6.9788 7.6750 7.6750 7.7895 7.7895 8.8235 8.8235 9.0965 9.0965 9.3615 9.3615 9.5111 9.5111 9.5868 9.5868 9.6542 9.6542 9.6801 9.6801 9.9903 9.9903 10.1002 10.1002 11.1476 11.1476 11.7234 11.7234 12.0175 12.0175 14.1151 14.1151 14.9914 14.9914 17.4754 17.4754 k =-0.4417 0.5044-0.0000 ( 2506 PWs) bands (ev): -1.9680 -1.9680 -1.8492 -1.8492 4.1582 4.1582 5.1204 5.1204 6.9788 6.9788 7.6750 7.6750 7.7895 7.7895 8.8235 8.8235 9.0965 9.0965 9.3615 9.3615 9.5111 9.5111 9.5868 9.5868 9.6542 9.6542 9.6801 9.6801 9.9903 9.9903 10.1002 10.1002 11.1476 11.1476 11.7234 11.7234 12.0175 12.0175 14.1151 14.1151 14.9914 14.9914 17.4754 17.4754 k =-0.4417 0.5044 0.0124 ( 2504 PWs) bands (ev): -1.9676 -1.9676 -1.8489 -1.8489 4.1596 4.1596 5.1209 5.1209 6.9763 6.9763 7.6443 7.6443 7.8133 7.8133 8.8179 8.8179 9.1021 9.1021 9.3588 9.3588 9.5117 9.5117 9.5880 9.5880 9.6535 9.6535 9.6840 9.6840 9.9902 9.9902 10.1006 10.1006 11.1435 11.1435 11.6912 11.6912 12.0543 12.0543 14.1086 14.1086 15.0091 15.0091 17.4819 17.4819 k =-0.4417 0.5044 0.0248 ( 2506 PWs) bands (ev): -1.9663 -1.9663 -1.8479 -1.8479 4.1638 4.1638 5.1224 5.1224 6.9688 6.9688 7.5822 7.5822 7.8547 7.8547 8.8028 8.8028 9.1170 9.1170 9.3516 9.3516 9.5134 9.5134 9.5912 9.5912 9.6521 9.6521 9.6947 9.6947 9.9898 9.9898 10.1017 10.1017 11.1315 11.1315 11.6205 11.6205 12.1385 12.1385 14.0913 14.0913 15.0598 15.0598 17.5012 17.5012 k =-0.4417 0.5044 0.0372 ( 2506 PWs) bands (ev): -1.9641 -1.9641 -1.8464 -1.8464 4.1707 4.1707 5.1249 5.1249 6.9565 6.9565 7.5090 7.5090 7.8937 7.8937 8.7818 8.7818 9.1363 9.1363 9.3422 9.3422 9.5160 9.5160 9.5953 9.5953 9.6511 9.6511 9.7112 9.7112 9.9892 9.9892 10.1035 10.1035 11.1117 11.1117 11.5386 11.5386 12.2430 12.2430 14.0681 14.0681 15.1386 15.1386 17.5332 17.5332 k =-0.4417 0.5044 0.0495 ( 2504 PWs) bands (ev): -1.9612 -1.9612 -1.8442 -1.8442 4.1803 4.1803 5.1283 5.1283 6.9395 6.9395 7.4295 7.4295 7.9258 7.9258 8.7583 8.7583 9.1546 9.1546 9.3338 9.3338 9.5191 9.5191 9.5995 9.5995 9.6505 9.6505 9.7324 9.7324 9.9884 9.9884 10.1061 10.1061 11.0848 11.0848 11.4547 11.4547 12.3583 12.3583 14.0448 14.0448 15.2396 15.2396 17.5776 17.5776 k =-0.4417 0.5044 0.0619 ( 2502 PWs) bands (ev): -1.9574 -1.9574 -1.8414 -1.8414 4.1927 4.1927 5.1327 5.1327 6.9181 6.9181 7.3460 7.3460 7.9493 7.9493 8.7349 8.7349 9.1663 9.1663 9.3302 9.3302 9.5227 9.5227 9.6037 9.6037 9.6504 9.6504 9.7572 9.7572 9.9876 9.9876 10.1092 10.1092 11.0516 11.0516 11.3720 11.3720 12.4811 12.4811 14.0259 14.0259 15.3580 15.3580 17.6343 17.6343 k =-0.4417 0.5044 0.0743 ( 2497 PWs) bands (ev): -1.9528 -1.9528 -1.8380 -1.8380 4.2078 4.2078 5.1378 5.1378 6.8921 6.8921 7.2599 7.2599 7.9634 7.9634 8.7136 8.7136 9.1674 9.1674 9.3342 9.3342 9.5265 9.5265 9.6079 9.6079 9.6506 9.6506 9.7841 9.7841 9.9868 9.9868 10.1131 10.1131 11.0131 11.0131 11.2917 11.2917 12.6100 12.6100 14.0147 14.0147 15.4901 15.4901 17.7028 17.7028 k =-0.4417 0.5044 0.0867 ( 2495 PWs) bands (ev): -1.9475 -1.9475 -1.8342 -1.8342 4.2255 4.2255 5.1436 5.1436 6.8616 6.8616 7.1731 7.1731 7.9675 7.9675 8.6953 8.6953 9.1575 9.1575 9.3450 9.3450 9.5306 9.5306 9.6123 9.6123 9.6511 9.6511 9.8117 9.8117 9.9861 9.9861 10.1176 10.1176 10.9704 10.9704 11.2142 11.2142 12.7444 12.7444 14.0134 14.0134 15.6334 15.6334 17.7827 17.7827 k =-0.4417 0.5044 0.0991 ( 2492 PWs) bands (ev): -1.9415 -1.9415 -1.8297 -1.8297 4.2458 4.2458 5.1499 5.1499 6.8258 6.8258 7.0875 7.0875 7.9615 7.9615 8.6810 8.6810 9.1392 9.1392 9.3592 9.3592 9.5344 9.5344 9.6175 9.6175 9.6517 9.6517 9.8384 9.8384 9.9858 9.9858 10.1228 10.1228 10.9248 10.9248 11.1399 11.1399 12.8837 12.8837 14.0236 14.0236 15.7857 15.7857 17.8734 17.8734 k =-0.4417 0.5044 0.1115 ( 2494 PWs) bands (ev): -1.9347 -1.9347 -1.8248 -1.8248 4.2688 4.2688 5.1567 5.1567 6.7831 6.7831 7.0062 7.0062 7.9454 7.9454 8.6709 8.6709 9.1153 9.1153 9.3738 9.3738 9.5379 9.5379 9.6233 9.6233 9.6526 9.6526 9.8628 9.8628 9.9859 9.9859 10.1285 10.1285 10.8775 10.8775 11.0687 11.0687 13.0278 13.0278 14.0460 14.0460 15.9455 15.9455 17.9746 17.9746 k =-0.4417 0.5044 0.1238 ( 2492 PWs) bands (ev): -1.9273 -1.9273 -1.8195 -1.8195 4.2942 4.2942 5.1638 5.1638 6.7311 6.7311 6.9331 6.9331 7.9196 7.9196 8.6648 8.6648 9.0872 9.0872 9.3870 9.3870 9.5407 9.5407 9.6292 9.6292 9.6546 9.6546 9.8835 9.8835 9.9868 9.9868 10.1352 10.1352 10.8301 10.8301 11.0008 11.0008 13.1762 13.1762 14.0812 14.0812 16.1117 16.1117 18.0857 18.0857 k =-0.4417 0.5044 0.1362 ( 2492 PWs) bands (ev): -1.9192 -1.9192 -1.8138 -1.8138 4.3221 4.3221 5.1710 5.1710 6.6675 6.6675 6.8717 6.8717 7.8849 7.8849 8.6622 8.6622 9.0558 9.0558 9.3979 9.3979 9.5426 9.5426 9.6334 9.6334 9.6590 9.6590 9.8996 9.8996 9.9885 9.9885 10.1424 10.1424 10.7838 10.7838 10.9362 10.9362 13.3286 13.3286 14.1291 14.1291 16.2833 16.2833 18.2061 18.2061 k =-0.4417 0.5044 0.1486 ( 2492 PWs) bands (ev): -1.9107 -1.9107 -1.8077 -1.8077 4.3523 4.3523 5.1782 5.1782 6.5931 6.5931 6.8225 6.8225 7.8421 7.8421 8.6623 8.6623 9.0215 9.0215 9.4066 9.4066 9.5437 9.5437 9.6345 9.6345 9.6671 9.6671 9.9107 9.9107 9.9905 9.9905 10.1504 10.1504 10.7400 10.7400 10.8748 10.8748 13.4848 13.4848 14.1896 14.1896 16.4595 16.4595 18.3353 18.3353 k =-0.4417 0.5044 0.1610 ( 2496 PWs) bands (ev): -1.9016 -1.9016 -1.8013 -1.8013 4.3848 4.3848 5.1851 5.1851 6.5115 6.5115 6.7831 6.7831 7.7922 7.7922 8.6637 8.6637 8.9851 8.9851 9.4131 9.4131 9.5438 9.5438 9.6326 9.6326 9.6780 9.6780 9.9172 9.9172 9.9924 9.9924 10.1590 10.1590 10.6997 10.6997 10.8164 10.8164 13.6444 13.6444 14.2622 14.2622 16.6395 16.6395 18.4726 18.4726 k =-0.4417 0.5044 0.1734 ( 2498 PWs) bands (ev): -1.8920 -1.8920 -1.7946 -1.7946 4.4194 4.4194 5.1918 5.1918 6.4263 6.4263 6.7512 6.7512 7.7360 7.7360 8.6647 8.6647 8.9476 8.9476 9.4178 9.4178 9.5433 9.5433 9.6287 9.6287 9.6902 9.6902 9.9200 9.9200 9.9935 9.9935 10.1679 10.1679 10.6636 10.6636 10.7612 10.7612 13.8070 13.8070 14.3463 14.3463 16.8229 16.8229 18.6177 18.6177 k =-0.4417 0.5044 0.1858 ( 2498 PWs) bands (ev): -1.8821 -1.8821 -1.7878 -1.7878 4.4559 4.4559 5.1981 5.1981 6.3399 6.3399 6.7253 6.7253 7.6745 7.6745 8.6626 8.6626 8.9109 8.9109 9.4210 9.4210 9.5421 9.5421 9.6232 9.6232 9.7028 9.7028 9.9202 9.9202 9.9932 9.9932 10.1773 10.1773 10.6319 10.6319 10.7090 10.7090 13.9723 13.9723 14.4411 14.4411 17.0090 17.0090 18.7698 18.7698 k =-0.4417 0.5044 0.1981 ( 2498 PWs) bands (ev): -1.8718 -1.8718 -1.7808 -1.7808 4.4942 4.4942 5.2038 5.2038 6.2540 6.2540 6.7048 6.7048 7.6084 7.6084 8.6533 8.6533 8.8786 8.8786 9.4229 9.4229 9.5405 9.5405 9.6161 9.6161 9.7151 9.7151 9.9187 9.9187 9.9916 9.9916 10.1867 10.1867 10.6042 10.6042 10.6603 10.6603 14.1398 14.1398 14.5458 14.5458 17.1974 17.1974 18.9284 18.9284 k =-0.4417 0.5044 0.2105 ( 2491 PWs) bands (ev): -1.8613 -1.8613 -1.7738 -1.7738 4.5339 4.5339 5.2092 5.2092 6.1696 6.1696 6.6897 6.6897 7.5382 7.5382 8.6317 8.6317 8.8558 8.8558 9.4237 9.4237 9.5385 9.5385 9.6079 9.6079 9.7267 9.7267 9.9164 9.9164 9.9892 9.9892 10.1963 10.1963 10.5790 10.5790 10.6160 10.6160 14.3091 14.3091 14.6593 14.6593 17.3875 17.3875 19.0929 19.0929 k =-0.4417 0.5044 0.2229 ( 2493 PWs) bands (ev): -1.8506 -1.8506 -1.7668 -1.7668 4.5748 4.5748 5.2141 5.2141 6.0874 6.0874 6.6799 6.6799 7.4646 7.4646 8.5948 8.5948 8.8450 8.8450 9.4236 9.4236 9.5362 9.5362 9.5986 9.5986 9.7373 9.7373 9.9139 9.9139 9.9861 9.9861 10.2057 10.2057 10.5509 10.5509 10.5807 10.5807 14.4796 14.4796 14.7806 14.7806 17.5791 17.5791 19.2629 19.2629 k =-0.4417 0.5044 0.2353 ( 2495 PWs) bands (ev): -1.8398 -1.8398 -1.7599 -1.7599 4.6164 4.6164 5.2190 5.2190 6.0082 6.0082 6.6756 6.6756 7.3880 7.3880 8.5441 8.5441 8.8451 8.8451 9.4225 9.4225 9.5336 9.5336 9.5884 9.5884 9.7464 9.7464 9.9119 9.9119 9.9827 9.9827 10.2149 10.2149 10.5158 10.5158 10.5579 10.5579 14.6508 14.6508 14.9086 14.9086 17.7716 17.7716 19.4376 19.4376 k =-0.4417 0.5044 0.2477 ( 2497 PWs) bands (ev): -1.8290 -1.8290 -1.7531 -1.7531 4.6583 4.6583 5.2239 5.2239 5.9325 5.9325 6.6767 6.6767 7.3091 7.3091 8.4832 8.4832 8.8527 8.8527 9.4205 9.4205 9.5307 9.5307 9.5776 9.5776 9.7540 9.7540 9.9111 9.9111 9.9793 9.9793 10.2239 10.2239 10.4788 10.4788 10.5420 10.5420 14.8219 14.8219 15.0421 15.0421 17.9647 17.9647 19.6165 19.6165 k =-0.4417 0.5044 0.2601 ( 2500 PWs) bands (ev): -1.8182 -1.8182 -1.7465 -1.7465 4.6998 4.6998 5.2294 5.2294 5.8611 5.8611 6.6833 6.6833 7.2283 7.2283 8.4151 8.4151 8.8652 8.8652 9.4174 9.4174 9.5274 9.5274 9.5667 9.5667 9.7600 9.7600 9.9120 9.9120 9.9760 9.9760 10.2323 10.2323 10.4432 10.4432 10.5291 10.5291 14.9924 14.9924 15.1798 15.1798 18.1579 18.1579 19.7990 19.7990 k =-0.4417 0.5044 0.2724 ( 2498 PWs) bands (ev): -1.8075 -1.8075 -1.7402 -1.7402 4.7402 4.7402 5.2357 5.2357 5.7947 5.7947 6.6953 6.6953 7.1461 7.1461 8.3420 8.3420 8.8810 8.8810 9.4130 9.4130 9.5234 9.5234 9.5564 9.5564 9.7646 9.7646 9.9146 9.9146 9.9728 9.9728 10.2398 10.2398 10.4103 10.4103 10.5179 10.5179 15.1613 15.1613 15.3204 15.3204 18.3508 18.3508 19.9844 19.9844 k =-0.4417 0.5044 0.2848 ( 2500 PWs) bands (ev): -1.7970 -1.7970 -1.7343 -1.7343 4.7787 4.7787 5.2429 5.2429 5.7345 5.7345 6.7122 6.7122 7.0632 7.0632 8.2654 8.2654 8.8990 8.8990 9.4069 9.4069 9.5185 9.5185 9.5473 9.5473 9.7680 9.7680 9.9188 9.9188 9.9698 9.9698 10.2457 10.2457 10.3809 10.3809 10.5076 10.5076 15.3277 15.3277 15.4624 15.4624 18.5429 18.5429 20.1721 20.1721 k =-0.4417 0.5044 0.2972 ( 2494 PWs) bands (ev): -1.7868 -1.7868 -1.7287 -1.7287 4.8144 4.8144 5.2508 5.2508 5.6820 5.6820 6.7328 6.7328 6.9810 6.9810 8.1862 8.1862 8.9187 8.9187 9.3989 9.3989 9.5127 9.5127 9.5401 9.5401 9.7706 9.7706 9.9244 9.9244 9.9670 9.9670 10.2485 10.2485 10.3568 10.3568 10.4980 10.4980 15.4905 15.4905 15.6044 15.6044 18.7338 18.7338 20.3612 20.3612 k =-0.4417 0.5044 0.3096 ( 2494 PWs) bands (ev): -1.7769 -1.7769 -1.7237 -1.7237 4.8466 4.8466 5.2579 5.2579 5.6398 5.6398 6.7532 6.7532 6.9036 6.9036 8.1055 8.1055 8.9396 8.9396 9.3887 9.3887 9.5062 9.5062 9.5346 9.5346 9.7727 9.7727 9.9309 9.9309 9.9646 9.9646 10.2459 10.2459 10.3400 10.3400 10.4888 10.4888 15.6485 15.6485 15.7447 15.7447 18.9229 18.9229 20.5509 20.5509 k =-0.4417 0.5044 0.3220 ( 2500 PWs) bands (ev): -1.7675 -1.7675 -1.7191 -1.7191 4.8749 4.8749 5.2616 5.2616 5.6112 5.6112 6.7512 6.7512 6.8533 6.8533 8.0238 8.0238 8.9614 8.9614 9.3759 9.3759 9.4999 9.4999 9.5306 9.5306 9.7746 9.7746 9.9375 9.9375 9.9629 9.9629 10.2361 10.2361 10.3321 10.3321 10.4797 10.4797 15.8004 15.8004 15.8815 15.8815 19.1097 19.1097 20.7401 20.7401 k =-0.4417 0.5044 0.3344 ( 2498 PWs) bands (ev): -1.7585 -1.7585 -1.7152 -1.7152 4.8993 4.8993 5.2589 5.2589 5.5997 5.5997 6.6940 6.6940 6.8631 6.8631 7.9419 7.9419 8.9843 8.9843 9.3608 9.3608 9.4943 9.4943 9.5275 9.5275 9.7764 9.7764 9.9430 9.9430 9.9631 9.9631 10.2208 10.2208 10.3318 10.3318 10.4707 10.4707 15.9445 15.9445 16.0129 16.0129 19.2935 19.2935 20.9272 20.9272 k =-0.4417 0.5044 0.3468 ( 2494 PWs) bands (ev): -1.7501 -1.7501 -1.7120 -1.7120 4.9201 4.9201 5.2478 5.2478 5.6071 5.6071 6.6157 6.6157 6.8990 6.8990 7.8603 7.8603 9.0077 9.0077 9.3434 9.3434 9.4896 9.4896 9.5250 9.5250 9.7783 9.7783 9.9456 9.9456 9.9669 9.9669 10.2027 10.2027 10.3362 10.3362 10.4619 10.4619 16.0792 16.0792 16.1368 16.1368 19.4738 19.4738 21.1097 21.1097 k =-0.4417 0.5044 0.3591 ( 2496 PWs) bands (ev): -1.7423 -1.7423 -1.7094 -1.7094 4.9379 4.9379 5.2293 5.2293 5.6316 5.6316 6.5339 6.5339 6.9435 6.9435 7.7794 7.7794 9.0317 9.0317 9.3241 9.3241 9.4860 9.4860 9.5230 9.5230 9.7802 9.7802 9.9453 9.9453 9.9739 9.9739 10.1841 10.1841 10.3428 10.3428 10.4529 10.4529 16.2024 16.2024 16.2509 16.2509 19.6498 19.6498 21.2800 21.2800 k =-0.4417 0.5044 0.3715 ( 2496 PWs) bands (ev): -1.7352 -1.7352 -1.7077 -1.7077 4.9536 4.9536 5.2065 5.2065 5.6695 5.6695 6.4523 6.4523 6.9931 6.9931 7.6998 7.6998 9.0562 9.0562 9.3032 9.3032 9.4831 9.4831 9.5214 9.5214 9.7822 9.7822 9.9438 9.9438 9.9824 9.9824 10.1662 10.1662 10.3508 10.3508 10.4439 10.4439 16.3122 16.3122 16.3528 16.3528 19.8207 19.8207 21.3271 21.3271 k =-0.4417 0.5044 0.3839 ( 2496 PWs) bands (ev): -1.7287 -1.7287 -1.7066 -1.7066 4.9677 4.9677 5.1824 5.1824 5.7165 5.7165 6.3728 6.3728 7.0465 7.0465 7.6222 7.6222 9.0809 9.0809 9.2811 9.2811 9.4810 9.4810 9.5200 9.5200 9.7840 9.7840 9.9421 9.9421 9.9913 9.9913 10.1497 10.1497 10.3594 10.3594 10.4348 10.4348 16.4064 16.4064 16.4402 16.4402 19.9860 19.9860 21.1975 21.1975 k =-0.4417 0.5044 0.3963 ( 2502 PWs) bands (ev): -1.7231 -1.7231 -1.7064 -1.7064 4.9805 4.9805 5.1595 5.1595 5.7686 5.7686 6.2972 6.2972 7.1026 7.1026 7.5472 7.5472 9.1057 9.1057 9.2579 9.2579 9.4795 9.4795 9.5189 9.5189 9.7856 9.7856 9.9405 9.9405 9.9998 9.9998 10.1351 10.1351 10.3683 10.3683 10.4257 10.4257 16.4827 16.4827 16.5107 16.5107 20.1447 20.1447 21.0578 21.0578 k =-0.4417 0.5044 0.4087 ( 2498 PWs) bands (ev): -1.7182 -1.7182 -1.7071 -1.7071 4.9916 4.9916 5.1401 5.1401 5.8207 5.8207 6.2291 6.2291 7.1595 7.1595 7.4769 7.4769 9.1305 9.1305 9.2344 9.2344 9.4785 9.4785 9.5183 9.5183 9.7869 9.7869 9.9393 9.9393 10.0072 10.0072 10.1235 10.1235 10.3773 10.3773 10.4167 10.4167 16.5393 16.5393 16.5624 16.5624 20.2953 20.2953 20.9202 20.9202 k =-0.4417 0.5044 0.4211 ( 2498 PWs) bands (ev): -1.7142 -1.7142 -1.7086 -1.7086 4.9997 4.9997 5.1265 5.1265 5.8642 5.8642 6.1764 6.1764 7.2118 7.2118 7.4167 7.4167 9.1543 9.1543 9.2113 9.2113 9.4779 9.4779 9.5178 9.5178 9.7877 9.7877 9.9385 9.9385 10.0124 10.0124 10.1158 10.1158 10.3858 10.3858 10.4082 10.4082 16.5742 16.5742 16.5938 16.5938 20.4316 20.4316 20.7918 20.7918 k =-0.4417 0.5044 0.4334 ( 2500 PWs) bands (ev): -1.7113 -1.7113 -1.7106 -1.7106 5.0028 5.0028 5.1216 5.1216 5.8827 5.8827 6.1548 6.1548 7.2383 7.2383 7.3875 7.3875 9.1696 9.1696 9.1962 9.1962 9.4777 9.4777 9.5177 9.5177 9.7880 9.7880 9.9382 9.9382 10.0143 10.0143 10.1130 10.1130 10.3910 10.3910 10.4031 10.4031 16.5860 16.5860 16.6044 16.6044 20.5083 20.5083 20.7177 20.7177 k =-0.4417 0.5044 0.4334 ( 2500 PWs) bands (ev): -1.7113 -1.7113 -1.7106 -1.7106 5.0028 5.0028 5.1216 5.1216 5.8827 5.8827 6.1548 6.1548 7.2383 7.2383 7.3875 7.3875 9.1696 9.1696 9.1962 9.1962 9.4777 9.4777 9.5177 9.5177 9.7880 9.7880 9.9382 9.9382 10.0143 10.0143 10.1130 10.1130 10.3910 10.3910 10.4031 10.4031 16.5860 16.5860 16.6044 16.6044 20.5083 20.5083 20.7177 20.7177 k =-0.4490 0.4961 0.4334 ( 2508 PWs) bands (ev): -1.7066 -1.7066 -1.7059 -1.7059 5.0173 5.0173 5.1216 5.1216 5.9353 5.9353 6.1916 6.1916 7.1699 7.1699 7.3191 7.3191 9.1667 9.1667 9.1881 9.1881 9.4755 9.4755 9.5142 9.5142 9.7941 9.7941 9.9377 9.9377 10.0154 10.0154 10.1174 10.1174 10.3584 10.3584 10.3630 10.3630 16.5821 16.5821 16.5982 16.5982 20.6318 20.6318 20.8311 20.8311 k =-0.4563 0.4878 0.4334 ( 2508 PWs) bands (ev): -1.7024 -1.7024 -1.7019 -1.7019 5.0304 5.0304 5.1196 5.1196 5.9921 5.9921 6.2305 6.2305 7.1028 7.1028 7.2500 7.2500 9.1638 9.1638 9.1807 9.1807 9.4746 9.4746 9.5105 9.5105 9.8012 9.8012 9.9323 9.9323 10.0215 10.0215 10.1214 10.1214 10.3278 10.3278 10.3303 10.3303 16.5787 16.5787 16.5926 16.5926 20.7540 20.7540 20.9422 20.9422 k =-0.4636 0.4794 0.4334 ( 2508 PWs) bands (ev): -1.6990 -1.6990 -1.6985 -1.6985 5.0421 5.0421 5.1161 5.1161 6.0519 6.0519 6.2696 6.2696 7.0389 7.0389 7.1813 7.1813 9.1611 9.1611 9.1741 9.1741 9.4746 9.4746 9.5065 9.5065 9.8093 9.8093 9.9232 9.9232 10.0313 10.0313 10.1246 10.1246 10.2975 10.2975 10.3062 10.3062 16.5760 16.5760 16.5875 16.5875 20.8742 20.8742 21.0500 21.0500 k =-0.4709 0.4711 0.4334 ( 2508 PWs) bands (ev): -1.6962 -1.6962 -1.6958 -1.6958 5.0526 5.0526 5.1115 5.1115 6.1130 6.1130 6.3057 6.3057 6.9813 6.9813 7.1143 7.1143 9.1587 9.1587 9.1685 9.1685 9.4755 9.4755 9.5023 9.5023 9.8183 9.8183 9.9121 9.9121 10.0435 10.0435 10.1262 10.1262 10.2725 10.2725 10.2858 10.2858 16.5739 16.5739 16.5831 16.5831 20.9917 20.9917 21.1530 21.1530 k =-0.4781 0.4628 0.4334 ( 2508 PWs) bands (ev): -1.6940 -1.6940 -1.6937 -1.6937 5.0621 5.0621 5.1061 5.1061 6.1738 6.1738 6.3343 6.3343 6.9344 6.9344 7.0506 7.0506 9.1569 9.1569 9.1638 9.1638 9.4773 9.4773 9.4981 9.4981 9.8281 9.8281 9.8999 9.8999 10.0571 10.0571 10.1252 10.1252 10.2536 10.2536 10.2687 10.2687 16.5725 16.5725 16.5794 16.5794 21.1051 21.1051 21.2488 21.2488 k =-0.4854 0.4545 0.4334 ( 2512 PWs) bands (ev): -1.6924 -1.6924 -1.6922 -1.6922 5.0709 5.0709 5.1000 5.1000 6.2316 6.2316 6.3497 6.3497 6.9040 6.9040 6.9927 6.9927 9.1557 9.1557 9.1601 9.1601 9.4797 9.4797 9.4939 9.4939 9.8388 9.8388 9.8871 9.8871 10.0715 10.0715 10.1205 10.1205 10.2416 10.2416 10.2549 10.2549 16.5717 16.5717 16.5763 16.5763 21.2122 21.2122 21.3315 21.3315 k =-0.4927 0.4462 0.4334 ( 2516 PWs) bands (ev): -1.6915 -1.6915 -1.6914 -1.6914 5.0789 5.0789 5.0935 5.0935 6.2830 6.2830 6.3464 6.3464 6.8954 6.8954 6.9442 6.9442 9.1554 9.1554 9.1575 9.1575 9.4826 9.4826 9.4898 9.4898 9.8501 9.8501 9.8745 9.8745 10.0860 10.0860 10.1117 10.1117 10.2367 10.2367 10.2445 10.2445 16.5718 16.5718 16.5741 16.5741 21.3077 21.3077 21.3851 21.3851 k =-0.5000 0.4378 0.4334 ( 2512 PWs) bands (ev): -1.6911 -1.6911 -1.6911 -1.6911 5.0864 5.0864 5.0864 5.0864 6.3231 6.3231 6.3231 6.3231 6.9099 6.9099 6.9099 6.9099 9.1560 9.1560 9.1560 9.1560 9.4860 9.4860 9.4860 9.4860 9.8621 9.8621 9.8621 9.8621 10.0998 10.0998 10.0998 10.0998 10.2381 10.2381 10.2381 10.2381 16.5725 16.5725 16.5725 16.5725 21.3764 21.3764 21.3764 21.3764 k =-0.5000 0.4378 0.4334 ( 2512 PWs) bands (ev): -1.6911 -1.6911 -1.6911 -1.6911 5.0864 5.0864 5.0864 5.0864 6.3231 6.3231 6.3231 6.3231 6.9099 6.9099 6.9099 6.9099 9.1560 9.1560 9.1560 9.1560 9.4860 9.4860 9.4860 9.4860 9.8621 9.8621 9.8621 9.8621 10.0998 10.0998 10.0998 10.0998 10.2381 10.2381 10.2381 10.2381 16.5725 16.5725 16.5725 16.5725 21.3764 21.3764 21.3764 21.3764 k =-0.5000 0.4378 0.4211 ( 2516 PWs) bands (ev): -1.6919 -1.6919 -1.6912 -1.6912 5.0544 5.0544 5.1201 5.1201 6.2525 6.2525 6.3949 6.3949 6.8399 6.8399 6.9850 6.9850 9.1292 9.1292 9.1828 9.1828 9.4838 9.4838 9.4886 9.4886 9.8529 9.8529 9.8710 9.8710 10.0962 10.0962 10.1035 10.1035 10.2351 10.2351 10.2418 10.2418 16.5536 16.5536 16.5687 16.5687 21.2215 21.2215 21.4726 21.4726 k =-0.5000 0.4378 0.4087 ( 2516 PWs) bands (ev): -1.6935 -1.6935 -1.6920 -1.6920 5.0239 5.0239 5.1555 5.1555 6.1837 6.1837 6.4664 6.4664 6.7767 6.7767 7.0643 7.0643 9.1026 9.1026 9.2096 9.2096 9.4819 9.4819 9.4915 9.4915 9.8438 9.8438 9.8796 9.8796 10.0928 10.0928 10.1072 10.1072 10.2327 10.2327 10.2462 10.2462 16.5124 16.5124 16.5422 16.5422 21.0568 21.0568 21.3966 21.3966 k =-0.5000 0.4378 0.3963 ( 2516 PWs) bands (ev): -1.6959 -1.6959 -1.6937 -1.6937 4.9945 4.9945 5.1926 5.1926 6.1172 6.1172 6.5333 6.5333 6.7245 6.7245 7.1473 7.1473 9.0762 9.0762 9.2361 9.2361 9.4803 9.4803 9.4948 9.4948 9.8347 9.8347 9.8878 9.8878 10.0893 10.0893 10.1111 10.1111 10.2309 10.2309 10.2516 10.2516 16.4501 16.4501 16.4939 16.4939 20.8881 20.8881 21.2559 21.2559 k =-0.5000 0.4378 0.3839 ( 2510 PWs) bands (ev): -1.6990 -1.6990 -1.6962 -1.6962 4.9662 4.9662 5.2313 5.2313 6.0536 6.0536 6.5766 6.5766 6.7030 6.7030 7.2334 7.2334 9.0502 9.0502 9.2625 9.2625 9.4790 9.4790 9.4985 9.4985 9.8260 9.8260 9.8954 9.8954 10.0857 10.0857 10.1150 10.1150 10.2297 10.2297 10.2582 10.2582 16.3684 16.3684 16.4254 16.4254 20.7173 20.7173 21.0815 21.0815 k =-0.5000 0.4378 0.3715 ( 2520 PWs) bands (ev): -1.7030 -1.7030 -1.6995 -1.6995 4.9384 4.9384 5.2710 5.2710 5.9937 5.9937 6.5660 6.5660 6.7424 6.7424 7.3221 7.3221 9.0245 9.0245 9.2882 9.2882 9.4780 9.4780 9.5026 9.5026 9.8175 9.8175 9.9023 9.9023 10.0820 10.0820 10.1187 10.1187 10.2290 10.2290 10.2661 10.2661 16.2693 16.2693 16.3386 16.3386 20.5452 20.5452 20.8841 20.8841 k =-0.5000 0.4378 0.3591 ( 2516 PWs) bands (ev): -1.7076 -1.7076 -1.7035 -1.7035 4.9109 4.9109 5.3108 5.3108 5.9386 5.9386 6.5326 6.5326 6.8119 6.8119 7.4127 7.4127 8.9995 8.9995 9.3136 9.3136 9.4773 9.4773 9.5071 9.5071 9.8095 9.8095 9.9084 9.9084 10.0781 10.0781 10.1223 10.1223 10.2290 10.2290 10.2758 10.2758 16.1549 16.1549 16.2357 16.2357 20.3722 20.3722 20.6719 20.6719 k =-0.5000 0.4378 0.3468 ( 2512 PWs) bands (ev): -1.7129 -1.7129 -1.7082 -1.7082 4.8835 4.8835 5.3493 5.3493 5.8899 5.8899 6.4987 6.4987 6.8893 6.8893 7.5048 7.5048 8.9752 8.9752 9.3383 9.3383 9.4769 9.4769 9.5120 9.5120 9.8022 9.8022 9.9137 9.9137 10.0738 10.0738 10.1256 10.1256 10.2298 10.2298 10.2874 10.2874 16.0274 16.0274 16.1192 16.1192 20.1984 20.1984 20.4507 20.4507 k =-0.5000 0.4378 0.3344 ( 2508 PWs) bands (ev): -1.7188 -1.7188 -1.7135 -1.7135 4.8558 4.8558 5.3838 5.3838 5.8505 5.8505 6.4694 6.4694 6.9698 6.9698 7.5977 7.5977 8.9518 8.9518 9.3621 9.3621 9.4768 9.4768 9.5173 9.5173 9.7956 9.7956 9.9182 9.9182 10.0693 10.0693 10.1284 10.1284 10.2315 10.2315 10.3012 10.3012 15.8888 15.8888 15.9915 15.9915 20.0231 20.0231 20.2253 20.2253 k =-0.5000 0.4378 0.3220 ( 2500 PWs) bands (ev): -1.7253 -1.7253 -1.7195 -1.7195 4.8276 4.8276 5.4101 5.4101 5.8244 5.8244 6.4461 6.4461 7.0517 7.0517 7.6908 7.6908 8.9293 8.9293 9.3849 9.3849 9.4770 9.4770 9.5233 9.5233 9.7897 9.7897 9.9218 9.9218 10.0643 10.0643 10.1306 10.1306 10.2343 10.2343 10.3174 10.3174 15.7410 15.7410 15.8547 15.8547 19.8442 19.8442 20.0005 20.0005 k =-0.5000 0.4378 0.3096 ( 2496 PWs) bands (ev): -1.7323 -1.7323 -1.7260 -1.7260 4.7987 4.7987 5.4235 5.4235 5.8166 5.8166 6.4293 6.4293 7.1346 7.1346 7.7833 7.7833 8.9081 8.9081 9.4065 9.4065 9.4774 9.4774 9.5297 9.5297 9.7847 9.7847 9.9247 9.9247 10.0587 10.0587 10.1322 10.1322 10.2384 10.2384 10.3360 10.3360 15.5858 15.5858 15.7110 15.7110 19.6554 19.6554 19.7845 19.7845 k =-0.5000 0.4378 0.2972 ( 2500 PWs) bands (ev): -1.7397 -1.7397 -1.7330 -1.7330 4.7691 4.7691 5.4209 5.4209 5.8298 5.8298 6.4193 6.4193 7.2180 7.2180 7.8742 7.8742 8.8884 8.8884 9.4268 9.4268 9.4781 9.4781 9.5367 9.5367 9.7804 9.7804 9.9267 9.9267 10.0526 10.0526 10.1329 10.1329 10.2438 10.2438 10.3573 10.3573 15.4246 15.4246 15.5624 15.5624 19.4483 19.4483 19.5873 19.5873 k =-0.5000 0.4378 0.2848 ( 2504 PWs) bands (ev): -1.7476 -1.7476 -1.7405 -1.7405 4.7387 4.7387 5.4040 5.4040 5.8625 5.8625 6.4161 6.4161 7.3016 7.3016 7.9626 7.9626 8.8707 8.8707 9.4456 9.4456 9.4790 9.4790 9.5442 9.5442 9.7770 9.7770 9.9280 9.9280 10.0460 10.0460 10.1330 10.1330 10.2510 10.2510 10.3811 10.3811 15.2589 15.2589 15.4107 15.4107 19.2244 19.2244 19.4086 19.4086 k =-0.5000 0.4378 0.2724 ( 2500 PWs) bands (ev): -1.7557 -1.7557 -1.7483 -1.7483 4.7076 4.7076 5.3770 5.3770 5.9101 5.9101 6.4196 6.4196 7.3853 7.3853 8.0472 8.0472 8.8556 8.8556 9.4629 9.4629 9.4802 9.4802 9.5525 9.5525 9.7744 9.7744 9.9286 9.9286 10.0389 10.0389 10.1326 10.1326 10.2603 10.2603 10.4076 10.4076 15.0897 15.0897 15.2576 15.2576 18.9922 18.9922 19.2409 19.2409 k =-0.5000 0.4378 0.2601 ( 2496 PWs) bands (ev): -1.7641 -1.7641 -1.7563 -1.7563 4.6760 4.6760 5.3444 5.3444 5.9681 5.9681 6.4297 6.4297 7.4686 7.4686 8.1267 8.1267 8.8439 8.8439 9.4781 9.4781 9.4819 9.4819 9.5614 9.5614 9.7724 9.7724 9.9286 9.9286 10.0315 10.0315 10.1316 10.1316 10.2718 10.2718 10.4368 10.4368 14.9183 14.9183 15.1048 15.1048 18.7568 18.7568 19.0800 19.0800 k =-0.5000 0.4378 0.2477 ( 2484 PWs) bands (ev): -1.7726 -1.7726 -1.7646 -1.7646 4.6440 4.6440 5.3089 5.3089 6.0332 6.0332 6.4462 6.4462 7.5514 7.5514 8.1992 8.1992 8.8366 8.8366 9.4829 9.4829 9.4927 9.4927 9.5709 9.5709 9.7708 9.7708 9.9282 9.9282 10.0238 10.0238 10.1300 10.1300 10.2860 10.2860 10.4687 10.4687 14.7454 14.7454 14.9536 14.9536 18.5205 18.5205 18.9244 18.9244 k =-0.5000 0.4378 0.2353 ( 2492 PWs) bands (ev): -1.7813 -1.7813 -1.7731 -1.7731 4.6118 4.6118 5.2724 5.2724 6.1032 6.1032 6.4688 6.4688 7.6333 7.6333 8.2628 8.2628 8.8347 8.8347 9.4847 9.4847 9.5047 9.5047 9.5804 9.5804 9.7694 9.7694 9.9272 9.9272 10.0158 10.0158 10.1279 10.1279 10.3031 10.3031 10.5032 10.5032 14.5718 14.5718 14.8055 14.8055 18.2846 18.2846 18.7737 18.7737 k =-0.5000 0.4378 0.2229 ( 2500 PWs) bands (ev): -1.7899 -1.7899 -1.7816 -1.7816 4.5797 4.5797 5.2360 5.2360 6.1762 6.1762 6.4977 6.4977 7.7138 7.7138 8.3158 8.3158 8.8397 8.8397 9.4866 9.4866 9.5154 9.5154 9.5899 9.5899 9.7679 9.7679 9.9257 9.9257 10.0079 10.0079 10.1255 10.1255 10.3234 10.3234 10.5403 10.5403 14.3984 14.3984 14.6621 14.6621 18.0498 18.0498 18.6280 18.6280 k =-0.5000 0.4378 0.2105 ( 2496 PWs) bands (ev): -1.7986 -1.7986 -1.7901 -1.7901 4.5479 4.5479 5.2004 5.2004 6.2509 6.2509 6.5329 6.5329 7.7927 7.7927 8.3567 8.3567 8.8525 8.8525 9.4888 9.4888 9.5248 9.5248 9.5990 9.5990 9.7658 9.7658 9.9237 9.9237 10.0002 10.0002 10.1229 10.1229 10.3472 10.3472 10.5803 10.5803 14.2257 14.2257 14.5246 14.5246 17.8165 17.8165 18.4873 18.4873 k =-0.5000 0.4378 0.1981 ( 2502 PWs) bands (ev): -1.8071 -1.8071 -1.7986 -1.7986 4.5167 4.5167 5.1660 5.1660 6.3253 6.3253 6.5749 6.5749 7.8692 7.8692 8.3854 8.3854 8.8731 8.8731 9.4911 9.4911 9.5331 9.5331 9.6073 9.6073 9.7626 9.7626 9.9214 9.9214 9.9929 9.9929 10.1199 10.1199 10.3744 10.3744 10.6231 10.6231 14.0544 14.0544 14.3947 14.3947 17.5853 17.5853 18.3519 18.3519 k =-0.5000 0.4378 0.1858 ( 2500 PWs) bands (ev): -1.8155 -1.8155 -1.8069 -1.8069 4.4863 4.4863 5.1330 5.1330 6.3977 6.3977 6.6244 6.6244 7.9425 7.9425 8.4034 8.4034 8.9003 8.9003 9.4935 9.4935 9.5405 9.5405 9.6146 9.6146 9.7578 9.7578 9.9188 9.9188 9.9862 9.9862 10.1170 10.1170 10.4049 10.4049 10.6687 10.6687 13.8849 13.8849 14.2737 14.2737 17.3565 17.3565 18.2223 18.2223 k =-0.5000 0.4378 0.1734 ( 2500 PWs) bands (ev): -1.8237 -1.8237 -1.8150 -1.8150 4.4569 4.4569 5.1018 5.1018 6.4660 6.4660 6.6822 6.6822 8.0114 8.0114 8.4133 8.4133 8.9320 8.9320 9.4960 9.4960 9.5470 9.5470 9.6205 9.6205 9.7511 9.7511 9.9158 9.9158 9.9803 9.9803 10.1139 10.1139 10.4383 10.4383 10.7173 10.7173 13.7176 13.7176 14.1632 14.1632 17.1306 17.1306 18.0986 18.0986 k =-0.5000 0.4378 0.1610 ( 2498 PWs) bands (ev): -1.8315 -1.8315 -1.8229 -1.8229 4.4287 4.4287 5.0723 5.0723 6.5288 6.5288 6.7487 6.7487 8.0739 8.0739 8.4189 8.4189 8.9662 8.9662 9.4984 9.4984 9.5527 9.5527 9.6252 9.6252 9.7422 9.7422 9.9123 9.9123 9.9753 9.9753 10.1108 10.1108 10.4737 10.4737 10.7690 10.7690 13.5531 13.5531 14.0649 14.0649 16.9078 16.9078 17.9814 17.9814 k =-0.5000 0.4378 0.1486 ( 2494 PWs) bands (ev): -1.8391 -1.8391 -1.8304 -1.8304 4.4019 4.4019 5.0448 5.0448 6.5859 6.5859 6.8231 6.8231 8.1269 8.1269 8.4248 8.4248 9.0011 9.0011 9.5008 9.5008 9.5575 9.5575 9.6283 9.6283 9.7311 9.7311 9.9085 9.9085 9.9710 9.9710 10.1077 10.1077 10.5102 10.5102 10.8238 10.8238 13.3917 13.3917 13.9803 13.9803 16.6885 16.6885 17.8709 17.8709 k =-0.5000 0.4378 0.1362 ( 2492 PWs) bands (ev): -1.8462 -1.8462 -1.8375 -1.8375 4.3768 4.3768 5.0192 5.0192 6.6379 6.6379 6.9035 6.9035 8.1658 8.1658 8.4365 8.4365 9.0358 9.0358 9.5028 9.5028 9.5615 9.5615 9.6300 9.6300 9.7179 9.7179 9.9041 9.9041 9.9676 9.9676 10.1047 10.1047 10.5465 10.5465 10.8820 10.8820 13.2338 13.2338 13.9109 13.9109 16.4733 16.4733 17.7676 17.7676 k =-0.5000 0.4378 0.1238 ( 2490 PWs) bands (ev): -1.8528 -1.8528 -1.8442 -1.8442 4.3534 4.3534 4.9958 4.9958 6.6856 6.6856 6.9880 6.9880 8.1866 8.1866 8.4584 8.4584 9.0696 9.0696 9.5042 9.5042 9.5646 9.5646 9.6305 9.6305 9.7032 9.7032 9.8991 9.8991 9.9649 9.9649 10.1019 10.1019 10.5813 10.5813 10.9435 10.9435 13.0796 13.0796 13.8582 13.8582 16.2625 16.2625 17.6717 17.6717 k =-0.5000 0.4378 0.1115 ( 2494 PWs) bands (ev): -1.8590 -1.8590 -1.8504 -1.8504 4.3318 4.3318 4.9744 4.9744 6.7295 6.7295 7.0749 7.0749 8.1889 8.1889 8.4910 8.4910 9.1021 9.1021 9.5046 9.5046 9.5665 9.5665 9.6300 9.6300 9.6876 9.6876 9.8932 9.8932 9.9628 9.9628 10.0992 10.0992 10.6135 10.6135 11.0084 11.0084 12.9295 12.9295 13.8232 13.8232 16.0567 16.0567 17.5837 17.5837 k =-0.5000 0.4378 0.0991 ( 2492 PWs) bands (ev): -1.8647 -1.8647 -1.8561 -1.8561 4.3122 4.3122 4.9553 4.9553 6.7699 6.7699 7.1629 7.1629 8.1765 8.1765 8.5305 8.5305 9.1335 9.1335 9.5032 9.5032 9.5675 9.5675 9.6286 9.6286 9.6721 9.6721 9.8868 9.8868 9.9612 9.9612 10.0968 10.0968 10.6421 10.6421 11.0769 11.0769 12.7838 12.7838 13.8068 13.8068 15.8566 15.8566 17.5038 17.5038 k =-0.5000 0.4378 0.0867 ( 2490 PWs) bands (ev): -1.8697 -1.8697 -1.8612 -1.8612 4.2947 4.2947 4.9383 4.9383 6.8066 6.8066 7.2508 7.2508 8.1533 8.1533 8.5725 8.5725 9.1638 9.1638 9.4989 9.4989 9.5675 9.5675 9.6267 9.6267 9.6580 9.6580 9.8796 9.8796 9.9601 9.9601 10.0947 10.0947 10.6665 10.6665 11.1490 11.1490 12.6426 12.6426 13.8091 13.8091 15.6630 15.6630 17.4325 17.4325 k =-0.5000 0.4378 0.0743 ( 2494 PWs) bands (ev): -1.8742 -1.8742 -1.8658 -1.8658 4.2794 4.2794 4.9235 4.9235 6.8395 6.8395 7.3376 7.3376 8.1222 8.1222 8.6135 8.6135 9.1930 9.1930 9.4905 9.4905 9.5673 9.5673 9.6246 9.6246 9.6459 9.6459 9.8721 9.8721 9.9593 9.9593 10.0928 10.0928 10.6863 10.6863 11.2248 11.2248 12.5062 12.5062 13.8297 13.8297 15.4769 15.4769 17.3701 17.3701 k =-0.5000 0.4378 0.0619 ( 2494 PWs) bands (ev): -1.8780 -1.8780 -1.8696 -1.8696 4.2664 4.2664 4.9110 4.9110 6.8681 6.8681 7.4227 7.4227 8.0846 8.0846 8.6514 8.6514 9.2213 9.2213 9.4771 9.4771 9.5677 9.5677 9.6227 9.6227 9.6362 9.6362 9.8645 9.8645 9.9588 9.9588 10.0912 10.0912 10.7017 10.7017 11.3042 11.3042 12.3750 12.3750 13.8674 13.8674 15.2999 15.2999 17.3167 17.3167 k =-0.5000 0.4378 0.0495 ( 2490 PWs) bands (ev): -1.8812 -1.8812 -1.8728 -1.8728 4.2556 4.2556 4.9007 4.9007 6.8921 6.8921 7.5050 7.5050 8.0416 8.0416 8.6846 8.6846 9.2490 9.2490 9.4592 9.4592 9.5691 9.5691 9.6212 9.6212 9.6288 9.6288 9.8573 9.8573 9.9585 9.9585 10.0900 10.0900 10.7130 10.7130 11.3873 11.3873 12.2492 12.2492 13.9199 13.9199 15.1342 15.1342 17.2727 17.2727 k =-0.5000 0.4378 0.0372 ( 2488 PWs) bands (ev): -1.8837 -1.8837 -1.8753 -1.8753 4.2472 4.2472 4.8927 4.8927 6.9112 6.9112 7.5838 7.5838 7.9939 7.9939 8.7120 8.7120 9.2759 9.2759 9.4378 9.4378 9.5713 9.5713 9.6195 9.6195 9.6235 9.6235 9.8509 9.8509 9.9583 9.9583 10.0890 10.0890 10.7209 10.7209 11.4736 11.4736 12.1294 12.1294 13.9830 13.9830 14.9837 14.9837 17.2382 17.2382 k =-0.5000 0.4378 0.0248 ( 2488 PWs) bands (ev): -1.8854 -1.8854 -1.8772 -1.8772 4.2411 4.2411 4.8870 4.8870 6.9251 6.9251 7.6577 7.6577 7.9426 7.9426 8.7322 8.7322 9.3020 9.3020 9.4145 9.4145 9.5738 9.5738 9.6165 9.6165 9.6212 9.6212 9.8459 9.8459 9.9581 9.9581 10.0882 10.0882 10.7260 10.7260 11.5618 11.5618 12.0171 12.0171 14.0492 14.0492 14.8554 14.8554 17.2134 17.2134 k =-0.5000 0.4378 0.0124 ( 2494 PWs) bands (ev): -1.8865 -1.8865 -1.8782 -1.8782 4.2375 4.2375 4.8835 4.8835 6.9335 6.9335 7.7226 7.7226 7.8912 7.8912 8.7445 8.7445 9.3261 9.3261 9.3914 9.3914 9.5759 9.5759 9.6137 9.6137 9.6206 9.6206 9.8426 9.8426 9.9580 9.9580 10.0877 10.0877 10.7288 10.7288 11.6461 11.6461 11.9182 11.9182 14.1046 14.1046 14.7630 14.7630 17.1985 17.1985 k =-0.5000 0.4378 0.0000 ( 2486 PWs) bands (ev): -1.8869 -1.8869 -1.8786 -1.8786 4.2363 4.2363 4.8824 4.8824 6.9364 6.9364 7.7573 7.7573 7.8611 7.8611 8.7488 8.7488 9.3401 9.3401 9.3779 9.3779 9.5767 9.5767 9.6126 9.6126 9.6205 9.6205 9.8415 9.8415 9.9580 9.9580 10.0876 10.0876 10.7298 10.7298 11.6937 11.6937 11.8659 11.8659 14.1275 14.1275 14.7278 14.7278 17.1936 17.1936 k = 0.0000 0.0000 0.4334 ( 2474 PWs) bands (ev): -2.6518 -2.6518 -2.6517 -2.6517 6.5781 6.5781 6.5781 6.5781 7.6360 7.6360 7.6360 7.6360 7.9555 7.9555 7.9555 7.9555 9.4779 9.4779 9.4779 9.4779 9.5632 9.5632 9.5633 9.5633 9.8593 9.8593 9.8593 9.8593 10.1362 10.1362 10.1362 10.1362 10.6019 10.6019 10.6019 10.6019 16.3632 16.3632 16.3632 16.3632 16.4525 16.4525 16.4525 16.4525 k =-0.0093 0.0081 0.4334 ( 2470 PWs) bands (ev): -2.6510 -2.6510 -2.6510 -2.6510 6.5728 6.5728 6.5728 6.5728 7.6351 7.6351 7.6351 7.6351 7.9570 7.9570 7.9570 7.9570 9.4789 9.4789 9.4789 9.4789 9.5639 9.5639 9.5639 9.5639 9.8593 9.8593 9.8593 9.8593 10.1365 10.1365 10.1366 10.1366 10.6044 10.6044 10.6044 10.6044 16.3659 16.3659 16.3659 16.3659 16.4494 16.4494 16.4494 16.4494 k =-0.0185 0.0162 0.4334 ( 2470 PWs) bands (ev): -2.6487 -2.6487 -2.6487 -2.6487 6.5570 6.5570 6.5570 6.5570 7.6323 7.6323 7.6324 7.6324 7.9613 7.9613 7.9613 7.9613 9.4817 9.4817 9.4817 9.4817 9.5658 9.5658 9.5658 9.5658 9.8589 9.8589 9.8589 9.8589 10.1375 10.1375 10.1375 10.1375 10.6117 10.6117 10.6117 10.6117 16.3729 16.3729 16.3729 16.3729 16.4408 16.4408 16.4408 16.4408 k =-0.0278 0.0243 0.4334 ( 2462 PWs) bands (ev): -2.6450 -2.6450 -2.6450 -2.6450 6.5314 6.5314 6.5314 6.5314 7.6274 7.6274 7.6275 7.6275 7.9682 7.9682 7.9682 7.9682 9.4860 9.4860 9.4860 9.4860 9.5692 9.5692 9.5692 9.5692 9.8585 9.8585 9.8585 9.8585 10.1390 10.1390 10.1390 10.1390 10.6239 10.6239 10.6240 10.6240 16.3784 16.3784 16.3784 16.3784 16.4323 16.4323 16.4323 16.4323 k =-0.0370 0.0324 0.4334 ( 2466 PWs) bands (ev): -2.6397 -2.6397 -2.6397 -2.6397 6.4969 6.4969 6.4969 6.4969 7.6199 7.6199 7.6199 7.6199 7.9775 7.9775 7.9775 7.9775 9.4913 9.4913 9.4913 9.4913 9.5742 9.5742 9.5742 9.5742 9.8579 9.8579 9.8579 9.8579 10.1409 10.1409 10.1409 10.1409 10.6410 10.6410 10.6410 10.6410 16.3656 16.3656 16.3656 16.3656 16.4397 16.4397 16.4397 16.4397 k =-0.0463 0.0405 0.4334 ( 2474 PWs) bands (ev): -2.6330 -2.6330 -2.6330 -2.6330 6.4546 6.4546 6.4546 6.4546 7.6096 7.6096 7.6096 7.6096 7.9887 7.9887 7.9887 7.9887 9.4971 9.4971 9.4971 9.4971 9.5811 9.5811 9.5811 9.5811 9.8572 9.8572 9.8572 9.8572 10.1432 10.1432 10.1432 10.1432 10.6626 10.6626 10.6627 10.6627 16.3318 16.3318 16.3318 16.3318 16.4651 16.4651 16.4651 16.4651 k =-0.0556 0.0486 0.4334 ( 2478 PWs) bands (ev): -2.6249 -2.6249 -2.6249 -2.6249 6.4057 6.4057 6.4057 6.4057 7.5962 7.5962 7.5962 7.5962 8.0012 8.0012 8.0012 8.0012 9.5028 9.5028 9.5028 9.5028 9.5901 9.5901 9.5901 9.5901 9.8566 9.8566 9.8566 9.8566 10.1457 10.1457 10.1457 10.1457 10.6888 10.6888 10.6888 10.6888 16.2837 16.2837 16.2837 16.2837 16.5010 16.5010 16.5010 16.5010 k =-0.0648 0.0568 0.4334 ( 2474 PWs) bands (ev): -2.6153 -2.6153 -2.6152 -2.6152 6.3513 6.3513 6.3513 6.3513 7.5797 7.5797 7.5797 7.5797 8.0145 8.0145 8.0145 8.0145 9.5079 9.5079 9.5079 9.5079 9.6011 9.6011 9.6011 9.6011 9.8561 9.8561 9.8561 9.8561 10.1485 10.1485 10.1485 10.1485 10.7193 10.7193 10.7193 10.7193 16.2232 16.2232 16.2232 16.2232 16.5447 16.5447 16.5447 16.5447 k =-0.0741 0.0649 0.4334 ( 2482 PWs) bands (ev): -2.6042 -2.6042 -2.6042 -2.6042 6.2926 6.2926 6.2926 6.2926 7.5601 7.5601 7.5601 7.5601 8.0279 8.0279 8.0279 8.0279 9.5122 9.5122 9.5123 9.5123 9.6138 9.6138 9.6138 9.6138 9.8557 9.8557 9.8557 9.8557 10.1513 10.1513 10.1513 10.1513 10.7535 10.7535 10.7535 10.7535 16.1510 16.1510 16.1510 16.1510 16.5956 16.5956 16.5956 16.5956 k =-0.0833 0.0730 0.4334 ( 2482 PWs) bands (ev): -2.5918 -2.5918 -2.5918 -2.5918 6.2304 6.2304 6.2304 6.2304 7.5378 7.5378 7.5378 7.5378 8.0408 8.0408 8.0409 8.0409 9.5158 9.5158 9.5158 9.5158 9.6279 9.6279 9.6279 9.6279 9.8556 9.8556 9.8556 9.8556 10.1542 10.1542 10.1542 10.1542 10.7909 10.7909 10.7909 10.7909 16.0680 16.0680 16.0680 16.0680 16.6532 16.6532 16.6532 16.6532 k =-0.0926 0.0811 0.4334 ( 2482 PWs) bands (ev): -2.5781 -2.5781 -2.5781 -2.5781 6.1657 6.1657 6.1658 6.1658 7.5127 7.5127 7.5127 7.5127 8.0530 8.0530 8.0530 8.0530 9.5187 9.5187 9.5187 9.5187 9.6427 9.6427 9.6427 9.6427 9.8557 9.8557 9.8557 9.8557 10.1571 10.1571 10.1571 10.1571 10.8309 10.8309 10.8309 10.8309 15.9756 15.9756 15.9756 15.9756 16.7174 16.7174 16.7174 16.7174 k =-0.1019 0.0892 0.4334 ( 2482 PWs) bands (ev): -2.5630 -2.5630 -2.5630 -2.5630 6.0993 6.0993 6.0993 6.0993 7.4853 7.4853 7.4853 7.4853 8.0641 8.0641 8.0641 8.0641 9.5209 9.5209 9.5210 9.5210 9.6578 9.6578 9.6578 9.6578 9.8563 9.8563 9.8563 9.8563 10.1599 10.1599 10.1599 10.1599 10.8726 10.8726 10.8726 10.8726 15.8758 15.8758 15.8758 15.8758 16.7879 16.7879 16.7879 16.7879 k =-0.1111 0.0973 0.4334 ( 2474 PWs) bands (ev): -2.5467 -2.5467 -2.5466 -2.5466 6.0317 6.0317 6.0318 6.0318 7.4557 7.4557 7.4557 7.4557 8.0738 8.0738 8.0738 8.0738 9.5227 9.5227 9.5227 9.5227 9.6728 9.6728 9.6728 9.6728 9.8573 9.8573 9.8573 9.8573 10.1626 10.1626 10.1626 10.1626 10.9150 10.9150 10.9150 10.9150 15.7709 15.7709 15.7709 15.7709 16.8645 16.8645 16.8645 16.8645 k =-0.1204 0.1054 0.4334 ( 2478 PWs) bands (ev): -2.5291 -2.5291 -2.5291 -2.5291 5.9637 5.9637 5.9637 5.9637 7.4241 7.4241 7.4241 7.4241 8.0820 8.0820 8.0820 8.0820 9.5239 9.5239 9.5239 9.5239 9.6872 9.6872 9.6872 9.6872 9.8587 9.8587 9.8587 9.8587 10.1650 10.1650 10.1651 10.1651 10.9569 10.9569 10.9569 10.9569 15.6636 15.6636 15.6636 15.6636 16.9471 16.9471 16.9472 16.9472 k =-0.1296 0.1135 0.4334 ( 2470 PWs) bands (ev): -2.5103 -2.5103 -2.5103 -2.5103 5.8956 5.8956 5.8956 5.8956 7.3909 7.3909 7.3909 7.3909 8.0886 8.0886 8.0886 8.0886 9.5248 9.5248 9.5248 9.5248 9.7008 9.7008 9.7008 9.7008 9.8606 9.8606 9.8606 9.8606 10.1673 10.1673 10.1673 10.1673 10.9972 10.9972 10.9972 10.9972 15.5566 15.5566 15.5567 15.5567 17.0356 17.0356 17.0356 17.0356 k =-0.1389 0.1216 0.4334 ( 2472 PWs) bands (ev): -2.4904 -2.4904 -2.4904 -2.4904 5.8280 5.8280 5.8280 5.8280 7.3562 7.3562 7.3562 7.3562 8.0935 8.0935 8.0935 8.0935 9.5253 9.5253 9.5253 9.5253 9.7133 9.7133 9.7133 9.7133 9.8630 9.8630 9.8630 9.8630 10.1693 10.1693 10.1693 10.1693 11.0343 11.0343 11.0343 11.0343 15.4526 15.4526 15.4526 15.4526 17.1296 17.1296 17.1296 17.1296 k =-0.1481 0.1297 0.4334 ( 2476 PWs) bands (ev): -2.4695 -2.4695 -2.4694 -2.4694 5.7611 5.7611 5.7611 5.7611 7.3203 7.3203 7.3203 7.3203 8.0967 8.0967 8.0967 8.0967 9.5255 9.5255 9.5255 9.5255 9.7245 9.7245 9.7245 9.7245 9.8659 9.8659 9.8659 9.8659 10.1711 10.1711 10.1711 10.1711 11.0668 11.0668 11.0668 11.0668 15.3539 15.3539 15.3539 15.3539 17.2290 17.2290 17.2290 17.2290 k =-0.1574 0.1378 0.4334 ( 2472 PWs) bands (ev): -2.4475 -2.4475 -2.4475 -2.4475 5.6955 5.6955 5.6955 5.6955 7.2833 7.2833 7.2833 7.2833 8.0982 8.0982 8.0982 8.0982 9.5255 9.5255 9.5255 9.5255 9.7344 9.7344 9.7344 9.7344 9.8694 9.8694 9.8694 9.8694 10.1726 10.1726 10.1726 10.1726 11.0934 11.0934 11.0934 11.0934 15.2631 15.2631 15.2631 15.2631 17.3336 17.3336 17.3336 17.3336 k =-0.1667 0.1459 0.4334 ( 2476 PWs) bands (ev): -2.4246 -2.4246 -2.4245 -2.4245 5.6314 5.6314 5.6314 5.6314 7.2455 7.2455 7.2455 7.2455 8.0979 8.0979 8.0979 8.0979 9.5251 9.5251 9.5251 9.5251 9.7428 9.7428 9.7429 9.7429 9.8732 9.8732 9.8732 9.8732 10.1738 10.1738 10.1738 10.1738 11.1126 11.1126 11.1126 11.1126 15.1820 15.1820 15.1820 15.1820 17.4432 17.4432 17.4432 17.4432 k =-0.1759 0.1541 0.4334 ( 2480 PWs) bands (ev): -2.4007 -2.4007 -2.4007 -2.4007 5.5690 5.5690 5.5690 5.5690 7.2070 7.2070 7.2070 7.2070 8.0960 8.0960 8.0960 8.0960 9.5245 9.5245 9.5245 9.5245 9.7498 9.7498 9.7498 9.7498 9.8774 9.8774 9.8774 9.8774 10.1747 10.1747 10.1747 10.1747 11.1232 11.1232 11.1232 11.1232 15.1125 15.1125 15.1125 15.1125 17.5575 17.5575 17.5575 17.5575 k =-0.1852 0.1622 0.4334 ( 2486 PWs) bands (ev): -2.3761 -2.3761 -2.3761 -2.3761 5.5087 5.5087 5.5087 5.5087 7.1681 7.1681 7.1681 7.1681 8.0923 8.0923 8.0923 8.0923 9.5236 9.5236 9.5236 9.5236 9.7554 9.7554 9.7554 9.7554 9.8818 9.8818 9.8818 9.8818 10.1753 10.1753 10.1753 10.1753 11.1242 11.1242 11.1242 11.1242 15.0561 15.0561 15.0561 15.0561 17.6762 17.6762 17.6762 17.6762 k =-0.1944 0.1703 0.4334 ( 2482 PWs) bands (ev): -2.3508 -2.3508 -2.3507 -2.3507 5.4506 5.4506 5.4506 5.4506 7.1290 7.1290 7.1290 7.1290 8.0870 8.0870 8.0870 8.0870 9.5225 9.5225 9.5225 9.5225 9.7597 9.7597 9.7597 9.7597 9.8862 9.8862 9.8862 9.8862 10.1757 10.1757 10.1757 10.1757 11.1150 11.1150 11.1150 11.1150 15.0137 15.0137 15.0137 15.0137 17.7992 17.7992 17.7992 17.7992 k =-0.2037 0.1784 0.4334 ( 2482 PWs) bands (ev): -2.3247 -2.3247 -2.3247 -2.3247 5.3949 5.3949 5.3949 5.3949 7.0896 7.0896 7.0897 7.0897 8.0798 8.0798 8.0798 8.0798 9.5213 9.5213 9.5213 9.5213 9.7626 9.7626 9.7626 9.7626 9.8906 9.8906 9.8906 9.8906 10.1757 10.1757 10.1757 10.1757 11.0954 11.0954 11.0954 11.0954 14.9858 14.9858 14.9858 14.9858 17.9260 17.9260 17.9260 17.9260 k =-0.2130 0.1865 0.4334 ( 2482 PWs) bands (ev): -2.2981 -2.2981 -2.2981 -2.2981 5.3419 5.3419 5.3419 5.3419 7.0503 7.0503 7.0504 7.0504 8.0707 8.0707 8.0707 8.0707 9.5198 9.5198 9.5198 9.5198 9.7642 9.7642 9.7643 9.7643 9.8947 9.8947 9.8947 9.8947 10.1754 10.1754 10.1754 10.1754 11.0655 11.0655 11.0655 11.0655 14.9726 14.9726 14.9726 14.9726 18.0564 18.0564 18.0564 18.0564 k =-0.2222 0.1946 0.4334 ( 2478 PWs) bands (ev): -2.2711 -2.2711 -2.2711 -2.2711 5.2916 5.2916 5.2916 5.2916 7.0112 7.0112 7.0112 7.0112 8.0597 8.0597 8.0597 8.0597 9.5182 9.5182 9.5182 9.5182 9.7646 9.7646 9.7646 9.7646 9.8984 9.8984 9.8984 9.8984 10.1749 10.1749 10.1749 10.1749 11.0261 11.0261 11.0261 11.0261 14.9737 14.9737 14.9737 14.9737 18.1901 18.1901 18.1901 18.1901 k =-0.2315 0.2027 0.4334 ( 2482 PWs) bands (ev): -2.2436 -2.2436 -2.2436 -2.2436 5.2443 5.2443 5.2443 5.2443 6.9723 6.9723 6.9723 6.9723 8.0466 8.0466 8.0466 8.0466 9.5164 9.5164 9.5164 9.5164 9.7635 9.7635 9.7635 9.7635 9.9016 9.9016 9.9016 9.9016 10.1740 10.1740 10.1740 10.1740 10.9781 10.9781 10.9781 10.9781 14.9883 14.9883 14.9883 14.9883 18.3266 18.3266 18.3266 18.3266 k =-0.2407 0.2108 0.4334 ( 2482 PWs) bands (ev): -2.2158 -2.2158 -2.2158 -2.2158 5.2001 5.2001 5.2001 5.2001 6.9339 6.9339 6.9339 6.9339 8.0314 8.0314 8.0314 8.0314 9.5145 9.5145 9.5145 9.5145 9.7610 9.7610 9.7610 9.7610 9.9040 9.9040 9.9040 9.9040 10.1728 10.1728 10.1728 10.1728 10.9230 10.9230 10.9230 10.9230 15.0153 15.0153 15.0153 15.0153 18.4655 18.4655 18.4655 18.4655 k =-0.2500 0.2189 0.4334 ( 2486 PWs) bands (ev): -2.1878 -2.1878 -2.1878 -2.1878 5.1590 5.1590 5.1590 5.1590 6.8959 6.8959 6.8959 6.8959 8.0139 8.0139 8.0139 8.0139 9.5124 9.5124 9.5124 9.5124 9.7567 9.7567 9.7567 9.7567 9.9057 9.9057 9.9057 9.9057 10.1713 10.1713 10.1713 10.1713 10.8625 10.8625 10.8625 10.8625 15.0534 15.0534 15.0535 15.0535 18.6066 18.6066 18.6066 18.6066 k =-0.2593 0.2270 0.4334 ( 2486 PWs) bands (ev): -2.1597 -2.1597 -2.1597 -2.1597 5.1212 5.1212 5.1212 5.1212 6.8586 6.8586 6.8586 6.8586 7.9939 7.9939 7.9939 7.9939 9.5101 9.5101 9.5101 9.5101 9.7506 9.7506 9.7506 9.7506 9.9065 9.9065 9.9065 9.9065 10.1695 10.1695 10.1695 10.1695 10.7984 10.7984 10.7984 10.7984 15.1014 15.1014 15.1014 15.1014 18.7492 18.7492 18.7492 18.7492 k =-0.2685 0.2351 0.4334 ( 2490 PWs) bands (ev): -2.1315 -2.1315 -2.1315 -2.1315 5.0868 5.0868 5.0868 5.0868 6.8220 6.8220 6.8220 6.8220 7.9713 7.9713 7.9713 7.9713 9.5076 9.5076 9.5076 9.5076 9.7422 9.7422 9.7422 9.7422 9.9065 9.9065 9.9065 9.9065 10.1674 10.1674 10.1674 10.1674 10.7326 10.7326 10.7326 10.7326 15.1577 15.1577 15.1577 15.1577 18.8932 18.8932 18.8932 18.8932 k =-0.2778 0.2432 0.4334 ( 2506 PWs) bands (ev): -2.1035 -2.1035 -2.1035 -2.1035 5.0558 5.0558 5.0558 5.0558 6.7862 6.7862 6.7862 6.7862 7.9458 7.9458 7.9458 7.9458 9.5047 9.5047 9.5047 9.5047 9.7310 9.7310 9.7310 9.7310 9.9054 9.9054 9.9054 9.9054 10.1649 10.1649 10.1649 10.1649 10.6671 10.6671 10.6671 10.6671 15.2209 15.2209 15.2209 15.2209 19.0382 19.0382 19.0382 19.0382 k =-0.2870 0.2514 0.4334 ( 2512 PWs) bands (ev): -2.0756 -2.0756 -2.0756 -2.0756 5.0283 5.0283 5.0283 5.0283 6.7513 6.7513 6.7513 6.7513 7.9173 7.9173 7.9173 7.9173 9.5017 9.5017 9.5017 9.5017 9.7167 9.7167 9.7167 9.7167 9.9036 9.9036 9.9036 9.9036 10.1621 10.1621 10.1621 10.1621 10.6039 10.6039 10.6039 10.6039 15.2898 15.2898 15.2898 15.2898 19.1840 19.1840 19.1840 19.1840 k =-0.2963 0.2595 0.4334 ( 2508 PWs) bands (ev): -2.0480 -2.0480 -2.0480 -2.0480 5.0043 5.0043 5.0043 5.0043 6.7174 6.7174 6.7174 6.7174 7.8858 7.8858 7.8858 7.8858 9.4985 9.4985 9.4985 9.4985 9.6989 9.6989 9.6989 9.6989 9.9012 9.9012 9.9012 9.9012 10.1590 10.1590 10.1590 10.1590 10.5447 10.5447 10.5447 10.5447 15.3630 15.3630 15.3630 15.3630 19.3306 19.3306 19.3306 19.3306 k =-0.3056 0.2676 0.4334 ( 2508 PWs) bands (ev): -2.0208 -2.0208 -2.0208 -2.0208 4.9839 4.9839 4.9839 4.9839 6.6845 6.6845 6.6845 6.6845 7.8508 7.8508 7.8508 7.8508 9.4948 9.4948 9.4948 9.4948 9.6774 9.6774 9.6774 9.6774 9.8982 9.8982 9.8982 9.8982 10.1556 10.1556 10.1556 10.1556 10.4908 10.4908 10.4908 10.4908 15.4394 15.4394 15.4394 15.4394 19.4776 19.4776 19.4776 19.4776 k =-0.3148 0.2757 0.4334 ( 2502 PWs) bands (ev): -1.9941 -1.9941 -1.9941 -1.9941 4.9671 4.9671 4.9671 4.9671 6.6528 6.6528 6.6528 6.6528 7.8124 7.8124 7.8124 7.8124 9.4905 9.4905 9.4905 9.4905 9.6524 9.6524 9.6524 9.6524 9.8949 9.8949 9.8950 9.8950 10.1519 10.1519 10.1519 10.1519 10.4433 10.4433 10.4433 10.4433 15.5181 15.5181 15.5181 15.5181 19.6249 19.6249 19.6249 19.6249 k =-0.3241 0.2838 0.4334 ( 2502 PWs) bands (ev): -1.9679 -1.9679 -1.9679 -1.9679 4.9538 4.9538 4.9538 4.9538 6.6222 6.6222 6.6222 6.6222 7.7705 7.7705 7.7705 7.7705 9.4850 9.4850 9.4850 9.4850 9.6244 9.6244 9.6244 9.6244 9.8915 9.8915 9.8915 9.8915 10.1479 10.1479 10.1479 10.1479 10.4025 10.4025 10.4025 10.4025 15.5980 15.5980 15.5980 15.5980 19.7720 19.7720 19.7720 19.7720 k =-0.3333 0.2919 0.4334 ( 2502 PWs) bands (ev): -1.9425 -1.9425 -1.9425 -1.9425 4.9439 4.9439 4.9439 4.9439 6.5929 6.5929 6.5929 6.5929 7.7251 7.7251 7.7251 7.7251 9.4774 9.4774 9.4774 9.4774 9.5952 9.5952 9.5952 9.5952 9.8882 9.8882 9.8882 9.8882 10.1437 10.1437 10.1437 10.1437 10.3685 10.3685 10.3685 10.3685 15.6784 15.6784 15.6784 15.6784 19.9182 19.9182 19.9182 19.9182 k =-0.3426 0.3000 0.4334 ( 2506 PWs) bands (ev): -1.9178 -1.9178 -1.9178 -1.9178 4.9375 4.9375 4.9375 4.9375 6.5649 6.5649 6.5649 6.5649 7.6763 7.6763 7.6763 7.6763 9.4662 9.4662 9.4662 9.4662 9.5673 9.5673 9.5673 9.5673 9.8849 9.8849 9.8849 9.8849 10.1394 10.1394 10.1394 10.1394 10.3408 10.3408 10.3408 10.3408 15.7584 15.7584 15.7584 15.7584 20.0627 20.0627 20.0627 20.0627 k =-0.3519 0.3081 0.4334 ( 2514 PWs) bands (ev): -1.8940 -1.8940 -1.8940 -1.8940 4.9344 4.9344 4.9344 4.9344 6.5382 6.5382 6.5383 6.5383 7.6244 7.6244 7.6244 7.6244 9.4492 9.4492 9.4492 9.4492 9.5439 9.5439 9.5439 9.5439 9.8819 9.8819 9.8819 9.8819 10.1350 10.1350 10.1350 10.1350 10.3185 10.3185 10.3185 10.3185 15.8374 15.8374 15.8374 15.8374 20.2043 20.2043 20.2043 20.2043 k =-0.3611 0.3162 0.4334 ( 2510 PWs) bands (ev): -1.8712 -1.8712 -1.8711 -1.8711 4.9345 4.9345 4.9345 4.9345 6.5130 6.5130 6.5130 6.5130 7.5697 7.5697 7.5697 7.5697 9.4255 9.4255 9.4255 9.4255 9.5272 9.5272 9.5272 9.5272 9.8792 9.8792 9.8792 9.8792 10.1308 10.1308 10.1308 10.1308 10.3008 10.3008 10.3008 10.3008 15.9147 15.9147 15.9147 15.9147 20.3417 20.3417 20.3417 20.3417 k =-0.3704 0.3243 0.4334 ( 2506 PWs) bands (ev): -1.8494 -1.8494 -1.8493 -1.8493 4.9376 4.9376 4.9376 4.9376 6.4892 6.4892 6.4892 6.4892 7.5127 7.5127 7.5127 7.5127 9.3969 9.3969 9.3969 9.3969 9.5163 9.5163 9.5163 9.5163 9.8768 9.8768 9.8768 9.8768 10.1268 10.1268 10.1268 10.1268 10.2869 10.2869 10.2869 10.2869 15.9898 15.9898 15.9898 15.9898 20.4736 20.4736 20.4736 20.4736 k =-0.3796 0.3324 0.4334 ( 2506 PWs) bands (ev): -1.8287 -1.8287 -1.8287 -1.8287 4.9434 4.9434 4.9434 4.9434 6.4668 6.4668 6.4668 6.4668 7.4538 7.4538 7.4538 7.4538 9.3663 9.3663 9.3663 9.3663 9.5091 9.5091 9.5091 9.5091 9.8745 9.8745 9.8745 9.8745 10.1230 10.1230 10.1230 10.1230 10.2760 10.2760 10.2760 10.2760 16.0622 16.0622 16.0622 16.0622 20.5987 20.5987 20.5987 20.5987 k =-0.3889 0.3405 0.4334 ( 2514 PWs) bands (ev): -1.8092 -1.8092 -1.8092 -1.8092 4.9518 4.9518 4.9518 4.9518 6.4460 6.4460 6.4460 6.4460 7.3939 7.3939 7.3939 7.3939 9.3359 9.3359 9.3359 9.3359 9.5040 9.5040 9.5040 9.5040 9.8725 9.8725 9.8725 9.8725 10.1195 10.1195 10.1195 10.1195 10.2673 10.2673 10.2673 10.2673 16.1313 16.1313 16.1313 16.1313 20.7158 20.7158 20.7158 20.7158 k =-0.3981 0.3487 0.4334 ( 2522 PWs) bands (ev): -1.7911 -1.7911 -1.7911 -1.7911 4.9625 4.9625 4.9625 4.9625 6.4267 6.4267 6.4267 6.4267 7.3336 7.3336 7.3336 7.3336 9.3069 9.3069 9.3069 9.3069 9.5001 9.5001 9.5001 9.5001 9.8707 9.8707 9.8707 9.8707 10.1162 10.1162 10.1162 10.1162 10.2605 10.2605 10.2605 10.2605 16.1968 16.1968 16.1968 16.1968 20.8239 20.8239 20.8239 20.8239 k =-0.4074 0.3568 0.4334 ( 2524 PWs) bands (ev): -1.7742 -1.7742 -1.7742 -1.7742 4.9749 4.9749 4.9749 4.9749 6.4090 6.4090 6.4090 6.4090 7.2738 7.2738 7.2738 7.2738 9.2801 9.2801 9.2801 9.2801 9.4971 9.4971 9.4971 9.4971 9.8691 9.8691 9.8691 9.8691 10.1133 10.1133 10.1133 10.1133 10.2551 10.2551 10.2551 10.2551 16.2582 16.2582 16.2582 16.2582 20.9225 20.9225 20.9225 20.9225 k =-0.4167 0.3649 0.4334 ( 2526 PWs) bands (ev): -1.7588 -1.7588 -1.7588 -1.7588 4.9888 4.9888 4.9888 4.9888 6.3929 6.3929 6.3929 6.3929 7.2154 7.2154 7.2154 7.2154 9.2558 9.2558 9.2558 9.2558 9.4947 9.4947 9.4947 9.4947 9.8677 9.8677 9.8677 9.8677 10.1107 10.1107 10.1107 10.1107 10.2509 10.2509 10.2509 10.2509 16.3150 16.3150 16.3150 16.3150 21.0110 21.0110 21.0110 21.0110 k =-0.4259 0.3730 0.4334 ( 2518 PWs) bands (ev): -1.7449 -1.7449 -1.7449 -1.7449 5.0037 5.0037 5.0037 5.0037 6.3784 6.3784 6.3784 6.3784 7.1594 7.1594 7.1595 7.1595 9.2343 9.2343 9.2343 9.2343 9.4928 9.4928 9.4928 9.4928 9.8665 9.8665 9.8665 9.8665 10.1084 10.1084 10.1084 10.1084 10.2476 10.2476 10.2476 10.2476 16.3670 16.3670 16.3670 16.3670 21.0893 21.0893 21.0893 21.0893 k =-0.4352 0.3811 0.4334 ( 2522 PWs) bands (ev): -1.7325 -1.7325 -1.7325 -1.7325 5.0189 5.0189 5.0189 5.0189 6.3655 6.3655 6.3655 6.3655 7.1068 7.1068 7.1068 7.1068 9.2154 9.2154 9.2154 9.2154 9.4911 9.4911 9.4911 9.4911 9.8654 9.8654 9.8654 9.8654 10.1063 10.1063 10.1063 10.1063 10.2449 10.2449 10.2449 10.2449 16.4137 16.4137 16.4137 16.4137 21.1576 21.1576 21.1576 21.1576 k =-0.4444 0.3892 0.4334 ( 2514 PWs) bands (ev): -1.7216 -1.7216 -1.7216 -1.7216 5.0339 5.0339 5.0339 5.0339 6.3543 6.3543 6.3544 6.3544 7.0585 7.0585 7.0585 7.0585 9.1994 9.1994 9.1994 9.1994 9.4897 9.4897 9.4897 9.4897 9.8646 9.8646 9.8646 9.8646 10.1046 10.1046 10.1046 10.1046 10.2429 10.2429 10.2429 10.2429 16.4549 16.4549 16.4549 16.4549 21.2160 21.2160 21.2160 21.2160 k =-0.4537 0.3973 0.4334 ( 2512 PWs) bands (ev): -1.7124 -1.7124 -1.7124 -1.7124 5.0481 5.0481 5.0482 5.0482 6.3448 6.3448 6.3449 6.3449 7.0156 7.0156 7.0156 7.0156 9.1859 9.1859 9.1859 9.1859 9.4886 9.4886 9.4886 9.4886 9.8638 9.8638 9.8638 9.8638 10.1031 10.1031 10.1031 10.1031 10.2413 10.2413 10.2413 10.2413 16.4903 16.4903 16.4903 16.4903 21.2651 21.2651 21.2651 21.2651 k =-0.4630 0.4054 0.4334 ( 2508 PWs) bands (ev): -1.7047 -1.7047 -1.7047 -1.7047 5.0609 5.0609 5.0609 5.0609 6.3370 6.3370 6.3371 6.3371 6.9789 6.9789 6.9789 6.9789 9.1751 9.1751 9.1751 9.1751 9.4877 9.4877 9.4877 9.4877 9.8632 9.8632 9.8632 9.8632 10.1020 10.1020 10.1020 10.1020 10.2401 10.2401 10.2401 10.2401 16.5196 16.5196 16.5196 16.5196 21.3051 21.3051 21.3051 21.3051 k =-0.4722 0.4135 0.4334 ( 2512 PWs) bands (ev): -1.6988 -1.6988 -1.6988 -1.6988 5.0716 5.0716 5.0716 5.0716 6.3310 6.3310 6.3310 6.3310 6.9493 6.9493 6.9493 6.9493 9.1667 9.1667 9.1667 9.1667 9.4869 9.4869 9.4869 9.4869 9.8627 9.8627 9.8627 9.8627 10.1010 10.1010 10.1010 10.1010 10.2392 10.2392 10.2392 10.2392 16.5426 16.5426 16.5426 16.5426 21.3362 21.3362 21.3362 21.3362 k =-0.4815 0.4216 0.4334 ( 2508 PWs) bands (ev): -1.6945 -1.6945 -1.6945 -1.6945 5.0797 5.0797 5.0797 5.0797 6.3266 6.3266 6.3266 6.3266 6.9276 6.9276 6.9276 6.9276 9.1608 9.1608 9.1608 9.1608 9.4865 9.4865 9.4865 9.4865 9.8624 9.8624 9.8624 9.8624 10.1004 10.1004 10.1004 10.1004 10.2386 10.2386 10.2386 10.2386 16.5592 16.5592 16.5592 16.5592 21.3585 21.3585 21.3585 21.3585 k =-0.4907 0.4297 0.4334 ( 2512 PWs) bands (ev): -1.6920 -1.6920 -1.6920 -1.6920 5.0847 5.0847 5.0847 5.0847 6.3240 6.3240 6.3240 6.3240 6.9143 6.9143 6.9144 6.9144 9.1572 9.1572 9.1572 9.1572 9.4861 9.4861 9.4861 9.4861 9.8622 9.8622 9.8622 9.8622 10.0999 10.0999 10.0999 10.0999 10.2382 10.2382 10.2382 10.2382 16.5692 16.5692 16.5692 16.5692 21.3719 21.3719 21.3719 21.3719 k =-0.5000 0.4378 0.4334 ( 2512 PWs) bands (ev): -1.6911 -1.6911 -1.6911 -1.6911 5.0864 5.0864 5.0864 5.0864 6.3231 6.3231 6.3231 6.3231 6.9099 6.9099 6.9099 6.9099 9.1560 9.1560 9.1560 9.1560 9.4860 9.4860 9.4860 9.4860 9.8621 9.8621 9.8621 9.8621 10.0998 10.0998 10.0998 10.0998 10.2381 10.2381 10.2381 10.2381 16.5725 16.5725 16.5725 16.5725 21.3764 21.3764 21.3764 21.3764 Writing output data file CuI.save init_run : 0.89s CPU 0.50s WALL ( 1 calls) electrons : 314.33s CPU 201.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.11s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 314.32s CPU 201.09s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.32s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.29s WALL ( 456 calls) cegterg : 274.31s CPU 175.82s WALL ( 505 calls) Called by sum_band: Called by *egterg: h_psi : 154.40s CPU 94.71s WALL ( 8196 calls) s_psi : 8.93s CPU 5.23s WALL ( 8196 calls) g_psi : 0.15s CPU 0.07s WALL ( 7235 calls) cdiaghg : 117.13s CPU 78.27s WALL ( 7691 calls) cegterg:over : 10.98s CPU 6.58s WALL ( 7235 calls) cegterg:upda : 5.08s CPU 3.05s WALL ( 7235 calls) cegterg:last : 3.39s CPU 2.13s WALL ( 1417 calls) cdiaghg:chol : 4.60s CPU 3.08s WALL ( 7691 calls) cdiaghg:inve : 1.74s CPU 0.97s WALL ( 7691 calls) cdiaghg:para : 5.64s CPU 4.19s WALL ( 15382 calls) Called by h_psi: h_psi:vloc : 133.76s CPU 82.59s WALL ( 8196 calls) h_psi:vnl : 20.49s CPU 12.03s WALL ( 8196 calls) add_vuspsi : 13.08s CPU 7.44s WALL ( 8196 calls) General routines calbec : 7.36s CPU 4.56s WALL ( 8196 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 129.44s CPU 80.00s WALL ( 766620 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.25s CPU 0.32s WALL ( 912 calls) Parallel routines fft_scatter : 76.97s CPU 47.73s WALL ( 766643 calls) PWSCF : 5m42.43s CPU 4m27.18s WALL This run was terminated on: 5:15:32 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=