Program PWSCF v.5.1.1 starts on 8Oct2015 at 23:26:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./YCoC2.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 15 4 678 277 48 Max 27 16 6 683 291 51 Sum 1269 723 223 32603 13743 2351 bravais-lattice index = 14 lattice parameter (alat) = 7.1222 a.u. unit-cell volume = 326.1977 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.122190 celldm(2)= 1.000000 celldm(3)= 0.940858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.281171 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.281171 0.959658 0.000000 ) a(3) = ( 0.000000 0.000000 0.940858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.292991 -0.000000 ) b(2) = ( 0.000000 1.042038 -0.000000 ) b(3) = ( 0.000000 0.000000 1.062860 ) PseudoPot. # 1 for Co read from file: /home/autes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 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 C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Co 9.00 58.93320 Co( 1.00) C 4.00 12.01070 C( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops. (no inversion) found 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 inv. 180 deg rotation - cart. axis [0,0,1] 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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 506 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0070958 0.0094731 -0.0000000), wk = 0.0019763 k( 3) = ( 0.0141916 0.0189462 -0.0000000), wk = 0.0019763 k( 4) = ( 0.0212873 0.0284192 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0283831 0.0378923 -0.0000000), wk = 0.0019763 k( 6) = ( 0.0354789 0.0473654 -0.0000000), wk = 0.0019763 k( 7) = ( 0.0425747 0.0568385 -0.0000000), wk = 0.0019763 k( 8) = ( 0.0496704 0.0663115 -0.0000000), wk = 0.0019763 k( 9) = ( 0.0567662 0.0757846 -0.0000000), wk = 0.0019763 k( 10) = ( 0.0638620 0.0852577 -0.0000000), wk = 0.0019763 k( 11) = ( 0.0709578 0.0947308 -0.0000000), wk = 0.0019763 k( 12) = ( 0.0780536 0.1042038 -0.0000000), wk = 0.0019763 k( 13) = ( 0.0851493 0.1136769 -0.0000000), wk = 0.0019763 k( 14) = ( 0.0922451 0.1231500 -0.0000000), wk = 0.0019763 k( 15) = ( 0.0993409 0.1326231 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1064367 0.1420961 -0.0000000), wk = 0.0019763 k( 17) = ( 0.1135325 0.1515692 -0.0000000), wk = 0.0019763 k( 18) = ( 0.1206282 0.1610423 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1277240 0.1705154 -0.0000000), wk = 0.0019763 k( 20) = ( 0.1348198 0.1799884 -0.0000000), wk = 0.0019763 k( 21) = ( 0.1419156 0.1894615 -0.0000000), wk = 0.0019763 k( 22) = ( 0.1490113 0.1989346 -0.0000000), wk = 0.0019763 k( 23) = ( 0.1561071 0.2084077 -0.0000000), wk = 0.0019763 k( 24) = ( 0.1632029 0.2178808 -0.0000000), wk = 0.0019763 k( 25) = ( 0.1702987 0.2273538 -0.0000000), wk = 0.0019763 k( 26) = ( 0.1773945 0.2368269 -0.0000000), wk = 0.0019763 k( 27) = ( 0.1844902 0.2463000 -0.0000000), wk = 0.0019763 k( 28) = ( 0.1915860 0.2557731 -0.0000000), wk = 0.0019763 k( 29) = ( 0.1986818 0.2652461 -0.0000000), wk = 0.0019763 k( 30) = ( 0.2057776 0.2747192 -0.0000000), wk = 0.0019763 k( 31) = ( 0.2128734 0.2841923 -0.0000000), wk = 0.0019763 k( 32) = ( 0.2199691 0.2936654 -0.0000000), wk = 0.0019763 k( 33) = ( 0.2270649 0.3031384 -0.0000000), wk = 0.0019763 k( 34) = ( 0.2341607 0.3126115 -0.0000000), wk = 0.0019763 k( 35) = ( 0.2412565 0.3220846 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2483522 0.3315577 -0.0000000), wk = 0.0019763 k( 37) = ( 0.2554480 0.3410308 -0.0000000), wk = 0.0019763 k( 38) = ( 0.2625438 0.3505038 -0.0000000), wk = 0.0019763 k( 39) = ( 0.2696396 0.3599769 -0.0000000), wk = 0.0019763 k( 40) = ( 0.2767354 0.3694500 -0.0000000), wk = 0.0019763 k( 41) = ( 0.2838311 0.3789231 -0.0000000), wk = 0.0019763 k( 42) = ( 0.2909269 0.3883961 -0.0000000), wk = 0.0019763 k( 43) = ( 0.2980227 0.3978692 -0.0000000), wk = 0.0019763 k( 44) = ( 0.3051185 0.4073423 -0.0000000), wk = 0.0019763 k( 45) = ( 0.3122143 0.4168154 -0.0000000), wk = 0.0019763 k( 46) = ( 0.3193100 0.4262884 -0.0000000), wk = 0.0019763 k( 47) = ( 0.3264058 0.4357615 -0.0000000), wk = 0.0019763 k( 48) = ( 0.3335016 0.4452346 -0.0000000), wk = 0.0019763 k( 49) = ( 0.3405974 0.4547077 -0.0000000), wk = 0.0019763 k( 50) = ( 0.3476932 0.4641807 -0.0000000), wk = 0.0019763 k( 51) = ( 0.3547889 0.4736538 -0.0000000), wk = 0.0019763 k( 52) = ( 0.3618847 0.4831269 -0.0000000), wk = 0.0019763 k( 53) = ( 0.3689805 0.4926000 -0.0000000), wk = 0.0019763 k( 54) = ( 0.3760763 0.5020730 -0.0000000), wk = 0.0019763 k( 55) = ( 0.3831720 0.5115461 -0.0000000), wk = 0.0019763 k( 56) = ( 0.3902678 0.5210192 -0.0000000), wk = 0.0019763 k( 57) = ( 0.3902678 0.5210192 -0.0000000), wk = 0.0019763 k( 58) = ( 0.3784415 0.5210192 -0.0000000), wk = 0.0019763 k( 59) = ( 0.3666152 0.5210192 -0.0000000), wk = 0.0019763 k( 60) = ( 0.3547889 0.5210192 -0.0000000), wk = 0.0019763 k( 61) = ( 0.3429626 0.5210192 -0.0000000), wk = 0.0019763 k( 62) = ( 0.3311363 0.5210192 -0.0000000), wk = 0.0019763 k( 63) = ( 0.3193100 0.5210192 -0.0000000), wk = 0.0019763 k( 64) = ( 0.3074837 0.5210192 -0.0000000), wk = 0.0019763 k( 65) = ( 0.2956574 0.5210192 -0.0000000), wk = 0.0019763 k( 66) = ( 0.2838311 0.5210192 -0.0000000), wk = 0.0019763 k( 67) = ( 0.2720048 0.5210192 -0.0000000), wk = 0.0019763 k( 68) = ( 0.2601786 0.5210192 -0.0000000), wk = 0.0019763 k( 69) = ( 0.2483522 0.5210192 -0.0000000), wk = 0.0019763 k( 70) = ( 0.2365260 0.5210192 -0.0000000), wk = 0.0019763 k( 71) = ( 0.2246997 0.5210192 -0.0000000), wk = 0.0019763 k( 72) = ( 0.2128734 0.5210192 -0.0000000), wk = 0.0019763 k( 73) = ( 0.2010471 0.5210192 -0.0000000), wk = 0.0019763 k( 74) = ( 0.1892208 0.5210192 -0.0000000), wk = 0.0019763 k( 75) = ( 0.1773945 0.5210192 -0.0000000), wk = 0.0019763 k( 76) = ( 0.1655682 0.5210192 -0.0000000), wk = 0.0019763 k( 77) = ( 0.1537419 0.5210192 -0.0000000), wk = 0.0019763 k( 78) = ( 0.1419156 0.5210192 -0.0000000), wk = 0.0019763 k( 79) = ( 0.1300893 0.5210192 -0.0000000), wk = 0.0019763 k( 80) = ( 0.1182630 0.5210192 -0.0000000), wk = 0.0019763 k( 81) = ( 0.1064367 0.5210192 -0.0000000), wk = 0.0019763 k( 82) = ( 0.0946104 0.5210192 -0.0000000), wk = 0.0019763 k( 83) = ( 0.0827841 0.5210192 -0.0000000), wk = 0.0019763 k( 84) = ( 0.0709578 0.5210192 -0.0000000), wk = 0.0019763 k( 85) = ( 0.0591315 0.5210192 -0.0000000), wk = 0.0019763 k( 86) = ( 0.0473052 0.5210192 -0.0000000), wk = 0.0019763 k( 87) = ( 0.0354789 0.5210192 -0.0000000), wk = 0.0019763 k( 88) = ( 0.0236526 0.5210192 -0.0000000), wk = 0.0019763 k( 89) = ( 0.0118263 0.5210192 -0.0000000), wk = 0.0019763 k( 90) = ( 0.0000000 0.5210192 -0.0000000), wk = 0.0019763 k( 91) = ( 0.0000000 0.5210192 -0.0000000), wk = 0.0019763 k( 92) = ( 0.0000000 0.5210192 0.0118096), wk = 0.0019763 k( 93) = ( 0.0000000 0.5210192 0.0236191), wk = 0.0019763 k( 94) = ( 0.0000000 0.5210192 0.0354287), wk = 0.0019763 k( 95) = ( 0.0000000 0.5210192 0.0472382), wk = 0.0019763 k( 96) = ( 0.0000000 0.5210192 0.0590478), wk = 0.0019763 k( 97) = ( 0.0000000 0.5210192 0.0708573), wk = 0.0019763 k( 98) = ( 0.0000000 0.5210192 0.0826669), wk = 0.0019763 k( 99) = ( 0.0000000 0.5210192 0.0944764), wk = 0.0019763 k( 100) = ( 0.0000000 0.5210192 0.1062860), wk = 0.0019763 k( 101) = ( 0.0000000 0.5210192 0.1180955), wk = 0.0019763 k( 102) = ( 0.0000000 0.5210192 0.1299051), wk = 0.0019763 k( 103) = ( 0.0000000 0.5210192 0.1417146), wk = 0.0019763 k( 104) = ( 0.0000000 0.5210192 0.1535242), wk = 0.0019763 k( 105) = ( 0.0000000 0.5210192 0.1653337), wk = 0.0019763 k( 106) = ( 0.0000000 0.5210192 0.1771433), wk = 0.0019763 k( 107) = ( 0.0000000 0.5210192 0.1889528), wk = 0.0019763 k( 108) = ( 0.0000000 0.5210192 0.2007624), wk = 0.0019763 k( 109) = ( 0.0000000 0.5210192 0.2125720), wk = 0.0019763 k( 110) = ( 0.0000000 0.5210192 0.2243815), wk = 0.0019763 k( 111) = ( 0.0000000 0.5210192 0.2361911), wk = 0.0019763 k( 112) = ( 0.0000000 0.5210192 0.2480006), wk = 0.0019763 k( 113) = ( 0.0000000 0.5210192 0.2598102), wk = 0.0019763 k( 114) = ( 0.0000000 0.5210192 0.2716197), wk = 0.0019763 k( 115) = ( 0.0000000 0.5210192 0.2834293), wk = 0.0019763 k( 116) = ( 0.0000000 0.5210192 0.2952388), wk = 0.0019763 k( 117) = ( 0.0000000 0.5210192 0.3070484), wk = 0.0019763 k( 118) = ( 0.0000000 0.5210192 0.3188579), wk = 0.0019763 k( 119) = ( 0.0000000 0.5210192 0.3306675), wk = 0.0019763 k( 120) = ( 0.0000000 0.5210192 0.3424770), wk = 0.0019763 k( 121) = ( 0.0000000 0.5210192 0.3542866), wk = 0.0019763 k( 122) = ( 0.0000000 0.5210192 0.3660961), wk = 0.0019763 k( 123) = ( 0.0000000 0.5210192 0.3779057), wk = 0.0019763 k( 124) = ( 0.0000000 0.5210192 0.3897152), wk = 0.0019763 k( 125) = ( 0.0000000 0.5210192 0.4015248), wk = 0.0019763 k( 126) = ( 0.0000000 0.5210192 0.4133344), wk = 0.0019763 k( 127) = ( 0.0000000 0.5210192 0.4251439), wk = 0.0019763 k( 128) = ( 0.0000000 0.5210192 0.4369535), wk = 0.0019763 k( 129) = ( 0.0000000 0.5210192 0.4487630), wk = 0.0019763 k( 130) = ( 0.0000000 0.5210192 0.4605726), wk = 0.0019763 k( 131) = ( 0.0000000 0.5210192 0.4723821), wk = 0.0019763 k( 132) = ( 0.0000000 0.5210192 0.4841917), wk = 0.0019763 k( 133) = ( 0.0000000 0.5210192 0.4960012), wk = 0.0019763 k( 134) = ( 0.0000000 0.5210192 0.5078108), wk = 0.0019763 k( 135) = ( 0.0000000 0.5210192 0.5196203), wk = 0.0019763 k( 136) = ( 0.0000000 0.5210192 0.5314299), wk = 0.0019763 k( 137) = ( 0.0000000 0.5210192 0.5314299), wk = 0.0019763 k( 138) = ( 0.0118263 0.5210192 0.5314299), wk = 0.0019763 k( 139) = ( 0.0236526 0.5210192 0.5314299), wk = 0.0019763 k( 140) = ( 0.0354789 0.5210192 0.5314299), wk = 0.0019763 k( 141) = ( 0.0473052 0.5210192 0.5314299), wk = 0.0019763 k( 142) = ( 0.0591315 0.5210192 0.5314299), wk = 0.0019763 k( 143) = ( 0.0709578 0.5210192 0.5314299), wk = 0.0019763 k( 144) = ( 0.0827841 0.5210192 0.5314299), wk = 0.0019763 k( 145) = ( 0.0946104 0.5210192 0.5314299), wk = 0.0019763 k( 146) = ( 0.1064367 0.5210192 0.5314299), wk = 0.0019763 k( 147) = ( 0.1182630 0.5210192 0.5314299), wk = 0.0019763 k( 148) = ( 0.1300893 0.5210192 0.5314299), wk = 0.0019763 k( 149) = ( 0.1419156 0.5210192 0.5314299), wk = 0.0019763 k( 150) = ( 0.1537419 0.5210192 0.5314299), wk = 0.0019763 k( 151) = ( 0.1655682 0.5210192 0.5314299), wk = 0.0019763 k( 152) = ( 0.1773945 0.5210192 0.5314299), wk = 0.0019763 k( 153) = ( 0.1892208 0.5210192 0.5314299), wk = 0.0019763 k( 154) = ( 0.2010471 0.5210192 0.5314299), wk = 0.0019763 k( 155) = ( 0.2128734 0.5210192 0.5314299), wk = 0.0019763 k( 156) = ( 0.2246997 0.5210192 0.5314299), wk = 0.0019763 k( 157) = ( 0.2365260 0.5210192 0.5314299), wk = 0.0019763 k( 158) = ( 0.2483522 0.5210192 0.5314299), wk = 0.0019763 k( 159) = ( 0.2601786 0.5210192 0.5314299), wk = 0.0019763 k( 160) = ( 0.2720048 0.5210192 0.5314299), wk = 0.0019763 k( 161) = ( 0.2838311 0.5210192 0.5314299), wk = 0.0019763 k( 162) = ( 0.2956574 0.5210192 0.5314299), wk = 0.0019763 k( 163) = ( 0.3074837 0.5210192 0.5314299), wk = 0.0019763 k( 164) = ( 0.3193100 0.5210192 0.5314299), wk = 0.0019763 k( 165) = ( 0.3311363 0.5210192 0.5314299), wk = 0.0019763 k( 166) = ( 0.3429626 0.5210192 0.5314299), wk = 0.0019763 k( 167) = ( 0.3547889 0.5210192 0.5314299), wk = 0.0019763 k( 168) = ( 0.3666152 0.5210192 0.5314299), wk = 0.0019763 k( 169) = ( 0.3784415 0.5210192 0.5314299), wk = 0.0019763 k( 170) = ( 0.3902678 0.5210192 0.5314299), wk = 0.0019763 k( 171) = ( 0.3902678 0.5210192 0.5314299), wk = 0.0019763 k( 172) = ( 0.3831720 0.5115461 0.5314299), wk = 0.0019763 k( 173) = ( 0.3760763 0.5020730 0.5314299), wk = 0.0019763 k( 174) = ( 0.3689805 0.4926000 0.5314299), wk = 0.0019763 k( 175) = ( 0.3618847 0.4831269 0.5314299), wk = 0.0019763 k( 176) = ( 0.3547889 0.4736538 0.5314299), wk = 0.0019763 k( 177) = ( 0.3476932 0.4641807 0.5314299), wk = 0.0019763 k( 178) = ( 0.3405974 0.4547077 0.5314299), wk = 0.0019763 k( 179) = ( 0.3335016 0.4452346 0.5314299), wk = 0.0019763 k( 180) = ( 0.3264058 0.4357615 0.5314299), wk = 0.0019763 k( 181) = ( 0.3193100 0.4262884 0.5314299), wk = 0.0019763 k( 182) = ( 0.3122143 0.4168154 0.5314299), wk = 0.0019763 k( 183) = ( 0.3051185 0.4073423 0.5314299), wk = 0.0019763 k( 184) = ( 0.2980227 0.3978692 0.5314299), wk = 0.0019763 k( 185) = ( 0.2909269 0.3883961 0.5314299), wk = 0.0019763 k( 186) = ( 0.2838311 0.3789231 0.5314299), wk = 0.0019763 k( 187) = ( 0.2767354 0.3694500 0.5314299), wk = 0.0019763 k( 188) = ( 0.2696396 0.3599769 0.5314299), wk = 0.0019763 k( 189) = ( 0.2625438 0.3505038 0.5314299), wk = 0.0019763 k( 190) = ( 0.2554480 0.3410308 0.5314299), wk = 0.0019763 k( 191) = ( 0.2483522 0.3315577 0.5314299), wk = 0.0019763 k( 192) = ( 0.2412565 0.3220846 0.5314299), wk = 0.0019763 k( 193) = ( 0.2341607 0.3126115 0.5314299), wk = 0.0019763 k( 194) = ( 0.2270649 0.3031384 0.5314299), wk = 0.0019763 k( 195) = ( 0.2199691 0.2936654 0.5314299), wk = 0.0019763 k( 196) = ( 0.2128734 0.2841923 0.5314299), wk = 0.0019763 k( 197) = ( 0.2057776 0.2747192 0.5314299), wk = 0.0019763 k( 198) = ( 0.1986818 0.2652461 0.5314299), wk = 0.0019763 k( 199) = ( 0.1915860 0.2557731 0.5314299), wk = 0.0019763 k( 200) = ( 0.1844902 0.2463000 0.5314299), wk = 0.0019763 k( 201) = ( 0.1773945 0.2368269 0.5314299), wk = 0.0019763 k( 202) = ( 0.1702987 0.2273538 0.5314299), wk = 0.0019763 k( 203) = ( 0.1632029 0.2178808 0.5314299), wk = 0.0019763 k( 204) = ( 0.1561071 0.2084077 0.5314299), wk = 0.0019763 k( 205) = ( 0.1490113 0.1989346 0.5314299), wk = 0.0019763 k( 206) = ( 0.1419156 0.1894615 0.5314299), wk = 0.0019763 k( 207) = ( 0.1348198 0.1799884 0.5314299), wk = 0.0019763 k( 208) = ( 0.1277240 0.1705154 0.5314299), wk = 0.0019763 k( 209) = ( 0.1206282 0.1610423 0.5314299), wk = 0.0019763 k( 210) = ( 0.1135325 0.1515692 0.5314299), wk = 0.0019763 k( 211) = ( 0.1064367 0.1420961 0.5314299), wk = 0.0019763 k( 212) = ( 0.0993409 0.1326231 0.5314299), wk = 0.0019763 k( 213) = ( 0.0922451 0.1231500 0.5314299), wk = 0.0019763 k( 214) = ( 0.0851493 0.1136769 0.5314299), wk = 0.0019763 k( 215) = ( 0.0780536 0.1042038 0.5314299), wk = 0.0019763 k( 216) = ( 0.0709578 0.0947308 0.5314299), wk = 0.0019763 k( 217) = ( 0.0638620 0.0852577 0.5314299), wk = 0.0019763 k( 218) = ( 0.0567662 0.0757846 0.5314299), wk = 0.0019763 k( 219) = ( 0.0496704 0.0663115 0.5314299), wk = 0.0019763 k( 220) = ( 0.0425747 0.0568385 0.5314299), wk = 0.0019763 k( 221) = ( 0.0354789 0.0473654 0.5314299), wk = 0.0019763 k( 222) = ( 0.0283831 0.0378923 0.5314299), wk = 0.0019763 k( 223) = ( 0.0212873 0.0284192 0.5314299), wk = 0.0019763 k( 224) = ( 0.0141916 0.0189462 0.5314299), wk = 0.0019763 k( 225) = ( 0.0070958 0.0094731 0.5314299), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5314299), wk = 0.0019763 k( 227) = ( 0.0000000 0.0000000 0.5314299), wk = 0.0019763 k( 228) = ( 0.0000000 0.0000000 0.5196203), wk = 0.0019763 k( 229) = ( 0.0000000 0.0000000 0.5078108), wk = 0.0019763 k( 230) = ( 0.0000000 0.0000000 0.4960012), wk = 0.0019763 k( 231) = ( 0.0000000 0.0000000 0.4841917), wk = 0.0019763 k( 232) = ( 0.0000000 0.0000000 0.4723821), wk = 0.0019763 k( 233) = ( 0.0000000 0.0000000 0.4605726), wk = 0.0019763 k( 234) = ( 0.0000000 0.0000000 0.4487630), wk = 0.0019763 k( 235) = ( 0.0000000 0.0000000 0.4369535), wk = 0.0019763 k( 236) = ( 0.0000000 0.0000000 0.4251439), wk = 0.0019763 k( 237) = ( 0.0000000 0.0000000 0.4133344), wk = 0.0019763 k( 238) = ( 0.0000000 0.0000000 0.4015248), wk = 0.0019763 k( 239) = ( 0.0000000 0.0000000 0.3897152), wk = 0.0019763 k( 240) = ( 0.0000000 0.0000000 0.3779057), wk = 0.0019763 k( 241) = ( 0.0000000 0.0000000 0.3660961), wk = 0.0019763 k( 242) = ( 0.0000000 0.0000000 0.3542866), wk = 0.0019763 k( 243) = ( 0.0000000 0.0000000 0.3424770), wk = 0.0019763 k( 244) = ( 0.0000000 0.0000000 0.3306675), wk = 0.0019763 k( 245) = ( 0.0000000 0.0000000 0.3188579), wk = 0.0019763 k( 246) = ( 0.0000000 0.0000000 0.3070484), wk = 0.0019763 k( 247) = ( 0.0000000 0.0000000 0.2952388), wk = 0.0019763 k( 248) = ( 0.0000000 0.0000000 0.2834293), wk = 0.0019763 k( 249) = ( 0.0000000 0.0000000 0.2716197), wk = 0.0019763 k( 250) = ( 0.0000000 0.0000000 0.2598102), wk = 0.0019763 k( 251) = ( 0.0000000 0.0000000 0.2480006), wk = 0.0019763 k( 252) = ( 0.0000000 0.0000000 0.2361911), wk = 0.0019763 k( 253) = ( 0.0000000 0.0000000 0.2243815), wk = 0.0019763 k( 254) = ( 0.0000000 0.0000000 0.2125720), wk = 0.0019763 k( 255) = ( 0.0000000 0.0000000 0.2007624), wk = 0.0019763 k( 256) = ( 0.0000000 0.0000000 0.1889528), wk = 0.0019763 k( 257) = ( 0.0000000 0.0000000 0.1771433), wk = 0.0019763 k( 258) = ( 0.0000000 0.0000000 0.1653337), wk = 0.0019763 k( 259) = ( 0.0000000 0.0000000 0.1535242), wk = 0.0019763 k( 260) = ( 0.0000000 0.0000000 0.1417146), wk = 0.0019763 k( 261) = ( 0.0000000 0.0000000 0.1299051), wk = 0.0019763 k( 262) = ( 0.0000000 0.0000000 0.1180955), wk = 0.0019763 k( 263) = ( 0.0000000 0.0000000 0.1062860), wk = 0.0019763 k( 264) = ( 0.0000000 0.0000000 0.0944764), wk = 0.0019763 k( 265) = ( 0.0000000 0.0000000 0.0826669), wk = 0.0019763 k( 266) = ( 0.0000000 0.0000000 0.0708573), wk = 0.0019763 k( 267) = ( 0.0000000 0.0000000 0.0590478), wk = 0.0019763 k( 268) = ( 0.0000000 0.0000000 0.0472382), wk = 0.0019763 k( 269) = ( 0.0000000 0.0000000 0.0354287), wk = 0.0019763 k( 270) = ( 0.0000000 0.0000000 0.0236191), wk = 0.0019763 k( 271) = ( 0.0000000 0.0000000 0.0118096), wk = 0.0019763 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 274) = ( -0.0094340 0.0070665 0.0000000), wk = 0.0019763 k( 275) = ( -0.0188679 0.0141330 0.0000000), wk = 0.0019763 k( 276) = ( -0.0283019 0.0211994 0.0000000), wk = 0.0019763 k( 277) = ( -0.0377359 0.0282659 0.0000000), wk = 0.0019763 k( 278) = ( -0.0471698 0.0353324 0.0000000), wk = 0.0019763 k( 279) = ( -0.0566038 0.0423989 0.0000000), wk = 0.0019763 k( 280) = ( -0.0660377 0.0494654 0.0000000), wk = 0.0019763 k( 281) = ( -0.0754717 0.0565318 0.0000000), wk = 0.0019763 k( 282) = ( -0.0849057 0.0635983 0.0000000), wk = 0.0019763 k( 283) = ( -0.0943396 0.0706648 0.0000000), wk = 0.0019763 k( 284) = ( -0.1037736 0.0777313 0.0000000), wk = 0.0019763 k( 285) = ( -0.1132076 0.0847978 0.0000000), wk = 0.0019763 k( 286) = ( -0.1226415 0.0918642 0.0000000), wk = 0.0019763 k( 287) = ( -0.1320755 0.0989307 0.0000000), wk = 0.0019763 k( 288) = ( -0.1415094 0.1059972 0.0000000), wk = 0.0019763 k( 289) = ( -0.1509434 0.1130637 0.0000000), wk = 0.0019763 k( 290) = ( -0.1603774 0.1201302 0.0000000), wk = 0.0019763 k( 291) = ( -0.1698113 0.1271966 0.0000000), wk = 0.0019763 k( 292) = ( -0.1792453 0.1342631 0.0000000), wk = 0.0019763 k( 293) = ( -0.1886792 0.1413296 0.0000000), wk = 0.0019763 k( 294) = ( -0.1981132 0.1483961 0.0000000), wk = 0.0019763 k( 295) = ( -0.2075472 0.1554626 0.0000000), wk = 0.0019763 k( 296) = ( -0.2169811 0.1625290 0.0000000), wk = 0.0019763 k( 297) = ( -0.2264151 0.1695955 0.0000000), wk = 0.0019763 k( 298) = ( -0.2358491 0.1766620 0.0000000), wk = 0.0019763 k( 299) = ( -0.2452830 0.1837285 0.0000000), wk = 0.0019763 k( 300) = ( -0.2547170 0.1907950 0.0000000), wk = 0.0019763 k( 301) = ( -0.2641509 0.1978614 0.0000000), wk = 0.0019763 k( 302) = ( -0.2735849 0.2049279 0.0000000), wk = 0.0019763 k( 303) = ( -0.2830189 0.2119944 0.0000000), wk = 0.0019763 k( 304) = ( -0.2924528 0.2190609 0.0000000), wk = 0.0019763 k( 305) = ( -0.3018868 0.2261274 0.0000000), wk = 0.0019763 k( 306) = ( -0.3113207 0.2331938 0.0000000), wk = 0.0019763 k( 307) = ( -0.3207547 0.2402603 0.0000000), wk = 0.0019763 k( 308) = ( -0.3301887 0.2473268 0.0000000), wk = 0.0019763 k( 309) = ( -0.3396226 0.2543933 0.0000000), wk = 0.0019763 k( 310) = ( -0.3490566 0.2614598 0.0000000), wk = 0.0019763 k( 311) = ( -0.3584906 0.2685263 0.0000000), wk = 0.0019763 k( 312) = ( -0.3679245 0.2755927 0.0000000), wk = 0.0019763 k( 313) = ( -0.3773585 0.2826592 0.0000000), wk = 0.0019763 k( 314) = ( -0.3867925 0.2897257 0.0000000), wk = 0.0019763 k( 315) = ( -0.3962264 0.2967922 0.0000000), wk = 0.0019763 k( 316) = ( -0.4056604 0.3038587 0.0000000), wk = 0.0019763 k( 317) = ( -0.4150943 0.3109251 0.0000000), wk = 0.0019763 k( 318) = ( -0.4245283 0.3179916 0.0000000), wk = 0.0019763 k( 319) = ( -0.4339623 0.3250581 0.0000000), wk = 0.0019763 k( 320) = ( -0.4433962 0.3321246 0.0000000), wk = 0.0019763 k( 321) = ( -0.4528302 0.3391911 0.0000000), wk = 0.0019763 k( 322) = ( -0.4622641 0.3462575 0.0000000), wk = 0.0019763 k( 323) = ( -0.4716981 0.3533240 0.0000000), wk = 0.0019763 k( 324) = ( -0.4811321 0.3603905 0.0000000), wk = 0.0019763 k( 325) = ( -0.4905660 0.3674570 0.0000000), wk = 0.0019763 k( 326) = ( -0.5000000 0.3745235 0.0000000), wk = 0.0019763 k( 327) = ( -0.5000000 0.3745235 0.0000000), wk = 0.0019763 k( 328) = ( -0.4931417 0.3836794 -0.0000000), wk = 0.0019763 k( 329) = ( -0.4862835 0.3928354 -0.0000000), wk = 0.0019763 k( 330) = ( -0.4794252 0.4019914 -0.0000000), wk = 0.0019763 k( 331) = ( -0.4725669 0.4111474 -0.0000000), wk = 0.0019763 k( 332) = ( -0.4657087 0.4203034 -0.0000000), wk = 0.0019763 k( 333) = ( -0.4588504 0.4294594 -0.0000000), wk = 0.0019763 k( 334) = ( -0.4519922 0.4386153 -0.0000000), wk = 0.0019763 k( 335) = ( -0.4451339 0.4477713 -0.0000000), wk = 0.0019763 k( 336) = ( -0.4382757 0.4569273 -0.0000000), wk = 0.0019763 k( 337) = ( -0.4314174 0.4660833 -0.0000000), wk = 0.0019763 k( 338) = ( -0.4245591 0.4752393 -0.0000000), wk = 0.0019763 k( 339) = ( -0.4177009 0.4843953 -0.0000000), wk = 0.0019763 k( 340) = ( -0.4108426 0.4935512 -0.0000000), wk = 0.0019763 k( 341) = ( -0.4039843 0.5027072 -0.0000000), wk = 0.0019763 k( 342) = ( -0.3971261 0.5118632 -0.0000000), wk = 0.0019763 k( 343) = ( -0.3902678 0.5210192 -0.0000000), wk = 0.0019763 k( 344) = ( -0.3902678 0.5210192 -0.0000000), wk = 0.0019763 k( 345) = ( -0.3902678 0.5210192 0.0118096), wk = 0.0019763 k( 346) = ( -0.3902678 0.5210192 0.0236191), wk = 0.0019763 k( 347) = ( -0.3902678 0.5210192 0.0354287), wk = 0.0019763 k( 348) = ( -0.3902678 0.5210192 0.0472382), wk = 0.0019763 k( 349) = ( -0.3902678 0.5210192 0.0590478), wk = 0.0019763 k( 350) = ( -0.3902678 0.5210192 0.0708573), wk = 0.0019763 k( 351) = ( -0.3902678 0.5210192 0.0826669), wk = 0.0019763 k( 352) = ( -0.3902678 0.5210192 0.0944764), wk = 0.0019763 k( 353) = ( -0.3902678 0.5210192 0.1062860), wk = 0.0019763 k( 354) = ( -0.3902678 0.5210192 0.1180955), wk = 0.0019763 k( 355) = ( -0.3902678 0.5210192 0.1299051), wk = 0.0019763 k( 356) = ( -0.3902678 0.5210192 0.1417146), wk = 0.0019763 k( 357) = ( -0.3902678 0.5210192 0.1535242), wk = 0.0019763 k( 358) = ( -0.3902678 0.5210192 0.1653337), wk = 0.0019763 k( 359) = ( -0.3902678 0.5210192 0.1771433), wk = 0.0019763 k( 360) = ( -0.3902678 0.5210192 0.1889528), wk = 0.0019763 k( 361) = ( -0.3902678 0.5210192 0.2007624), wk = 0.0019763 k( 362) = ( -0.3902678 0.5210192 0.2125720), wk = 0.0019763 k( 363) = ( -0.3902678 0.5210192 0.2243815), wk = 0.0019763 k( 364) = ( -0.3902678 0.5210192 0.2361911), wk = 0.0019763 k( 365) = ( -0.3902678 0.5210192 0.2480006), wk = 0.0019763 k( 366) = ( -0.3902678 0.5210192 0.2598102), wk = 0.0019763 k( 367) = ( -0.3902678 0.5210192 0.2716197), wk = 0.0019763 k( 368) = ( -0.3902678 0.5210192 0.2834293), wk = 0.0019763 k( 369) = ( -0.3902678 0.5210192 0.2952388), wk = 0.0019763 k( 370) = ( -0.3902678 0.5210192 0.3070484), wk = 0.0019763 k( 371) = ( -0.3902678 0.5210192 0.3188579), wk = 0.0019763 k( 372) = ( -0.3902678 0.5210192 0.3306675), wk = 0.0019763 k( 373) = ( -0.3902678 0.5210192 0.3424770), wk = 0.0019763 k( 374) = ( -0.3902678 0.5210192 0.3542866), wk = 0.0019763 k( 375) = ( -0.3902678 0.5210192 0.3660961), wk = 0.0019763 k( 376) = ( -0.3902678 0.5210192 0.3779057), wk = 0.0019763 k( 377) = ( -0.3902678 0.5210192 0.3897152), wk = 0.0019763 k( 378) = ( -0.3902678 0.5210192 0.4015248), wk = 0.0019763 k( 379) = ( -0.3902678 0.5210192 0.4133344), wk = 0.0019763 k( 380) = ( -0.3902678 0.5210192 0.4251439), wk = 0.0019763 k( 381) = ( -0.3902678 0.5210192 0.4369535), wk = 0.0019763 k( 382) = ( -0.3902678 0.5210192 0.4487630), wk = 0.0019763 k( 383) = ( -0.3902678 0.5210192 0.4605726), wk = 0.0019763 k( 384) = ( -0.3902678 0.5210192 0.4723821), wk = 0.0019763 k( 385) = ( -0.3902678 0.5210192 0.4841917), wk = 0.0019763 k( 386) = ( -0.3902678 0.5210192 0.4960012), wk = 0.0019763 k( 387) = ( -0.3902678 0.5210192 0.5078108), wk = 0.0019763 k( 388) = ( -0.3902678 0.5210192 0.5196203), wk = 0.0019763 k( 389) = ( -0.3902678 0.5210192 0.5314299), wk = 0.0019763 k( 390) = ( -0.3902678 0.5210192 0.5314299), wk = 0.0019763 k( 391) = ( -0.3971261 0.5118632 0.5314299), wk = 0.0019763 k( 392) = ( -0.4039843 0.5027072 0.5314299), wk = 0.0019763 k( 393) = ( -0.4108426 0.4935512 0.5314299), wk = 0.0019763 k( 394) = ( -0.4177009 0.4843953 0.5314299), wk = 0.0019763 k( 395) = ( -0.4245591 0.4752393 0.5314299), wk = 0.0019763 k( 396) = ( -0.4314174 0.4660833 0.5314299), wk = 0.0019763 k( 397) = ( -0.4382757 0.4569273 0.5314299), wk = 0.0019763 k( 398) = ( -0.4451339 0.4477713 0.5314299), wk = 0.0019763 k( 399) = ( -0.4519922 0.4386153 0.5314299), wk = 0.0019763 k( 400) = ( -0.4588504 0.4294594 0.5314299), wk = 0.0019763 k( 401) = ( -0.4657087 0.4203034 0.5314299), wk = 0.0019763 k( 402) = ( -0.4725669 0.4111474 0.5314299), wk = 0.0019763 k( 403) = ( -0.4794252 0.4019914 0.5314299), wk = 0.0019763 k( 404) = ( -0.4862835 0.3928354 0.5314299), wk = 0.0019763 k( 405) = ( -0.4931417 0.3836794 0.5314299), wk = 0.0019763 k( 406) = ( -0.5000000 0.3745235 0.5314299), wk = 0.0019763 k( 407) = ( -0.5000000 0.3745235 0.5314299), wk = 0.0019763 k( 408) = ( -0.5000000 0.3745235 0.5196203), wk = 0.0019763 k( 409) = ( -0.5000000 0.3745235 0.5078108), wk = 0.0019763 k( 410) = ( -0.5000000 0.3745235 0.4960012), wk = 0.0019763 k( 411) = ( -0.5000000 0.3745235 0.4841917), wk = 0.0019763 k( 412) = ( -0.5000000 0.3745235 0.4723821), wk = 0.0019763 k( 413) = ( -0.5000000 0.3745235 0.4605726), wk = 0.0019763 k( 414) = ( -0.5000000 0.3745235 0.4487630), wk = 0.0019763 k( 415) = ( -0.5000000 0.3745235 0.4369535), wk = 0.0019763 k( 416) = ( -0.5000000 0.3745235 0.4251439), wk = 0.0019763 k( 417) = ( -0.5000000 0.3745235 0.4133344), wk = 0.0019763 k( 418) = ( -0.5000000 0.3745235 0.4015248), wk = 0.0019763 k( 419) = ( -0.5000000 0.3745235 0.3897152), wk = 0.0019763 k( 420) = ( -0.5000000 0.3745235 0.3779057), wk = 0.0019763 k( 421) = ( -0.5000000 0.3745235 0.3660961), wk = 0.0019763 k( 422) = ( -0.5000000 0.3745235 0.3542866), wk = 0.0019763 k( 423) = ( -0.5000000 0.3745235 0.3424770), wk = 0.0019763 k( 424) = ( -0.5000000 0.3745235 0.3306675), wk = 0.0019763 k( 425) = ( -0.5000000 0.3745235 0.3188579), wk = 0.0019763 k( 426) = ( -0.5000000 0.3745235 0.3070484), wk = 0.0019763 k( 427) = ( -0.5000000 0.3745235 0.2952388), wk = 0.0019763 k( 428) = ( -0.5000000 0.3745235 0.2834293), wk = 0.0019763 k( 429) = ( -0.5000000 0.3745235 0.2716197), wk = 0.0019763 k( 430) = ( -0.5000000 0.3745235 0.2598102), wk = 0.0019763 k( 431) = ( -0.5000000 0.3745235 0.2480006), wk = 0.0019763 k( 432) = ( -0.5000000 0.3745235 0.2361911), wk = 0.0019763 k( 433) = ( -0.5000000 0.3745235 0.2243815), wk = 0.0019763 k( 434) = ( -0.5000000 0.3745235 0.2125720), wk = 0.0019763 k( 435) = ( -0.5000000 0.3745235 0.2007624), wk = 0.0019763 k( 436) = ( -0.5000000 0.3745235 0.1889528), wk = 0.0019763 k( 437) = ( -0.5000000 0.3745235 0.1771433), wk = 0.0019763 k( 438) = ( -0.5000000 0.3745235 0.1653337), wk = 0.0019763 k( 439) = ( -0.5000000 0.3745235 0.1535242), wk = 0.0019763 k( 440) = ( -0.5000000 0.3745235 0.1417146), wk = 0.0019763 k( 441) = ( -0.5000000 0.3745235 0.1299051), wk = 0.0019763 k( 442) = ( -0.5000000 0.3745235 0.1180955), wk = 0.0019763 k( 443) = ( -0.5000000 0.3745235 0.1062860), wk = 0.0019763 k( 444) = ( -0.5000000 0.3745235 0.0944764), wk = 0.0019763 k( 445) = ( -0.5000000 0.3745235 0.0826669), wk = 0.0019763 k( 446) = ( -0.5000000 0.3745235 0.0708573), wk = 0.0019763 k( 447) = ( -0.5000000 0.3745235 0.0590478), wk = 0.0019763 k( 448) = ( -0.5000000 0.3745235 0.0472382), wk = 0.0019763 k( 449) = ( -0.5000000 0.3745235 0.0354287), wk = 0.0019763 k( 450) = ( -0.5000000 0.3745235 0.0236191), wk = 0.0019763 k( 451) = ( -0.5000000 0.3745235 0.0118096), wk = 0.0019763 k( 452) = ( -0.5000000 0.3745235 0.0000000), wk = 0.0019763 k( 453) = ( 0.0000000 0.0000000 0.5314299), wk = 0.0019763 k( 454) = ( -0.0094340 0.0070665 0.5314299), wk = 0.0019763 k( 455) = ( -0.0188679 0.0141330 0.5314299), wk = 0.0019763 k( 456) = ( -0.0283019 0.0211994 0.5314299), wk = 0.0019763 k( 457) = ( -0.0377359 0.0282659 0.5314299), wk = 0.0019763 k( 458) = ( -0.0471698 0.0353324 0.5314299), wk = 0.0019763 k( 459) = ( -0.0566038 0.0423989 0.5314299), wk = 0.0019763 k( 460) = ( -0.0660377 0.0494654 0.5314299), wk = 0.0019763 k( 461) = ( -0.0754717 0.0565318 0.5314299), wk = 0.0019763 k( 462) = ( -0.0849057 0.0635983 0.5314299), wk = 0.0019763 k( 463) = ( -0.0943396 0.0706648 0.5314299), wk = 0.0019763 k( 464) = ( -0.1037736 0.0777313 0.5314299), wk = 0.0019763 k( 465) = ( -0.1132076 0.0847978 0.5314299), wk = 0.0019763 k( 466) = ( -0.1226415 0.0918642 0.5314299), wk = 0.0019763 k( 467) = ( -0.1320755 0.0989307 0.5314299), wk = 0.0019763 k( 468) = ( -0.1415094 0.1059972 0.5314299), wk = 0.0019763 k( 469) = ( -0.1509434 0.1130637 0.5314299), wk = 0.0019763 k( 470) = ( -0.1603774 0.1201302 0.5314299), wk = 0.0019763 k( 471) = ( -0.1698113 0.1271966 0.5314299), wk = 0.0019763 k( 472) = ( -0.1792453 0.1342631 0.5314299), wk = 0.0019763 k( 473) = ( -0.1886792 0.1413296 0.5314299), wk = 0.0019763 k( 474) = ( -0.1981132 0.1483961 0.5314299), wk = 0.0019763 k( 475) = ( -0.2075472 0.1554626 0.5314299), wk = 0.0019763 k( 476) = ( -0.2169811 0.1625290 0.5314299), wk = 0.0019763 k( 477) = ( -0.2264151 0.1695955 0.5314299), wk = 0.0019763 k( 478) = ( -0.2358491 0.1766620 0.5314299), wk = 0.0019763 k( 479) = ( -0.2452830 0.1837285 0.5314299), wk = 0.0019763 k( 480) = ( -0.2547170 0.1907950 0.5314299), wk = 0.0019763 k( 481) = ( -0.2641509 0.1978614 0.5314299), wk = 0.0019763 k( 482) = ( -0.2735849 0.2049279 0.5314299), wk = 0.0019763 k( 483) = ( -0.2830189 0.2119944 0.5314299), wk = 0.0019763 k( 484) = ( -0.2924528 0.2190609 0.5314299), wk = 0.0019763 k( 485) = ( -0.3018868 0.2261274 0.5314299), wk = 0.0019763 k( 486) = ( -0.3113207 0.2331938 0.5314299), wk = 0.0019763 k( 487) = ( -0.3207547 0.2402603 0.5314299), wk = 0.0019763 k( 488) = ( -0.3301887 0.2473268 0.5314299), wk = 0.0019763 k( 489) = ( -0.3396226 0.2543933 0.5314299), wk = 0.0019763 k( 490) = ( -0.3490566 0.2614598 0.5314299), wk = 0.0019763 k( 491) = ( -0.3584906 0.2685263 0.5314299), wk = 0.0019763 k( 492) = ( -0.3679245 0.2755927 0.5314299), wk = 0.0019763 k( 493) = ( -0.3773585 0.2826592 0.5314299), wk = 0.0019763 k( 494) = ( -0.3867925 0.2897257 0.5314299), wk = 0.0019763 k( 495) = ( -0.3962264 0.2967922 0.5314299), wk = 0.0019763 k( 496) = ( -0.4056604 0.3038587 0.5314299), wk = 0.0019763 k( 497) = ( -0.4150943 0.3109251 0.5314299), wk = 0.0019763 k( 498) = ( -0.4245283 0.3179916 0.5314299), wk = 0.0019763 k( 499) = ( -0.4339623 0.3250581 0.5314299), wk = 0.0019763 k( 500) = ( -0.4433962 0.3321246 0.5314299), wk = 0.0019763 k( 501) = ( -0.4528302 0.3391911 0.5314299), wk = 0.0019763 k( 502) = ( -0.4622641 0.3462575 0.5314299), wk = 0.0019763 k( 503) = ( -0.4716981 0.3533240 0.5314299), wk = 0.0019763 k( 504) = ( -0.4811321 0.3603905 0.5314299), wk = 0.0019763 k( 505) = ( -0.4905660 0.3674570 0.5314299), wk = 0.0019763 k( 506) = ( -0.5000000 0.3745235 0.5314299), wk = 0.0019763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0070958 0.0070958 0.0000000), wk = 0.0019763 k( 3) = ( 0.0141916 0.0141916 0.0000000), wk = 0.0019763 k( 4) = ( 0.0212873 0.0212873 0.0000000), wk = 0.0019763 k( 5) = ( 0.0283831 0.0283831 0.0000000), wk = 0.0019763 k( 6) = ( 0.0354789 0.0354789 0.0000000), wk = 0.0019763 k( 7) = ( 0.0425747 0.0425747 0.0000000), wk = 0.0019763 k( 8) = ( 0.0496704 0.0496704 0.0000000), wk = 0.0019763 k( 9) = ( 0.0567662 0.0567662 0.0000000), wk = 0.0019763 k( 10) = ( 0.0638620 0.0638620 0.0000000), wk = 0.0019763 k( 11) = ( 0.0709578 0.0709578 -0.0000000), wk = 0.0019763 k( 12) = ( 0.0780536 0.0780536 0.0000000), wk = 0.0019763 k( 13) = ( 0.0851493 0.0851493 0.0000000), wk = 0.0019763 k( 14) = ( 0.0922451 0.0922451 0.0000000), wk = 0.0019763 k( 15) = ( 0.0993409 0.0993409 0.0000000), wk = 0.0019763 k( 16) = ( 0.1064367 0.1064367 0.0000000), wk = 0.0019763 k( 17) = ( 0.1135325 0.1135325 0.0000000), wk = 0.0019763 k( 18) = ( 0.1206282 0.1206282 0.0000000), wk = 0.0019763 k( 19) = ( 0.1277240 0.1277240 0.0000000), wk = 0.0019763 k( 20) = ( 0.1348198 0.1348198 0.0000000), wk = 0.0019763 k( 21) = ( 0.1419156 0.1419156 0.0000000), wk = 0.0019763 k( 22) = ( 0.1490113 0.1490114 0.0000000), wk = 0.0019763 k( 23) = ( 0.1561071 0.1561071 0.0000000), wk = 0.0019763 k( 24) = ( 0.1632029 0.1632029 0.0000000), wk = 0.0019763 k( 25) = ( 0.1702987 0.1702987 0.0000000), wk = 0.0019763 k( 26) = ( 0.1773945 0.1773945 0.0000000), wk = 0.0019763 k( 27) = ( 0.1844902 0.1844902 0.0000000), wk = 0.0019763 k( 28) = ( 0.1915860 0.1915860 -0.0000000), wk = 0.0019763 k( 29) = ( 0.1986818 0.1986818 0.0000000), wk = 0.0019763 k( 30) = ( 0.2057776 0.2057776 0.0000000), wk = 0.0019763 k( 31) = ( 0.2128734 0.2128734 0.0000000), wk = 0.0019763 k( 32) = ( 0.2199691 0.2199691 0.0000000), wk = 0.0019763 k( 33) = ( 0.2270649 0.2270649 0.0000000), wk = 0.0019763 k( 34) = ( 0.2341607 0.2341607 0.0000000), wk = 0.0019763 k( 35) = ( 0.2412565 0.2412565 0.0000000), wk = 0.0019763 k( 36) = ( 0.2483522 0.2483522 0.0000000), wk = 0.0019763 k( 37) = ( 0.2554480 0.2554480 0.0000000), wk = 0.0019763 k( 38) = ( 0.2625438 0.2625438 0.0000000), wk = 0.0019763 k( 39) = ( 0.2696396 0.2696396 0.0000000), wk = 0.0019763 k( 40) = ( 0.2767354 0.2767354 0.0000000), wk = 0.0019763 k( 41) = ( 0.2838311 0.2838311 0.0000000), wk = 0.0019763 k( 42) = ( 0.2909269 0.2909269 0.0000000), wk = 0.0019763 k( 43) = ( 0.2980227 0.2980227 0.0000000), wk = 0.0019763 k( 44) = ( 0.3051185 0.3051185 0.0000000), wk = 0.0019763 k( 45) = ( 0.3122143 0.3122143 0.0000000), wk = 0.0019763 k( 46) = ( 0.3193100 0.3193100 0.0000000), wk = 0.0019763 k( 47) = ( 0.3264058 0.3264058 0.0000000), wk = 0.0019763 k( 48) = ( 0.3335016 0.3335016 0.0000000), wk = 0.0019763 k( 49) = ( 0.3405974 0.3405974 0.0000000), wk = 0.0019763 k( 50) = ( 0.3476932 0.3476932 0.0000000), wk = 0.0019763 k( 51) = ( 0.3547889 0.3547889 0.0000000), wk = 0.0019763 k( 52) = ( 0.3618847 0.3618847 0.0000000), wk = 0.0019763 k( 53) = ( 0.3689805 0.3689805 0.0000000), wk = 0.0019763 k( 54) = ( 0.3760763 0.3760763 0.0000000), wk = 0.0019763 k( 55) = ( 0.3831720 0.3831720 -0.0000000), wk = 0.0019763 k( 56) = ( 0.3902678 0.3902678 0.0000000), wk = 0.0019763 k( 57) = ( 0.3902678 0.3902678 0.0000000), wk = 0.0019763 k( 58) = ( 0.3784415 0.3935930 0.0000000), wk = 0.0019763 k( 59) = ( 0.3666152 0.3969183 0.0000000), wk = 0.0019763 k( 60) = ( 0.3547889 0.4002435 0.0000000), wk = 0.0019763 k( 61) = ( 0.3429626 0.4035687 0.0000000), wk = 0.0019763 k( 62) = ( 0.3311363 0.4068939 0.0000000), wk = 0.0019763 k( 63) = ( 0.3193100 0.4102191 0.0000000), wk = 0.0019763 k( 64) = ( 0.3074837 0.4135443 0.0000000), wk = 0.0019763 k( 65) = ( 0.2956574 0.4168696 0.0000000), wk = 0.0019763 k( 66) = ( 0.2838311 0.4201948 0.0000000), wk = 0.0019763 k( 67) = ( 0.2720048 0.4235200 0.0000000), wk = 0.0019763 k( 68) = ( 0.2601786 0.4268452 0.0000000), wk = 0.0019763 k( 69) = ( 0.2483522 0.4301704 0.0000000), wk = 0.0019763 k( 70) = ( 0.2365260 0.4334957 0.0000000), wk = 0.0019763 k( 71) = ( 0.2246997 0.4368209 0.0000000), wk = 0.0019763 k( 72) = ( 0.2128734 0.4401461 0.0000000), wk = 0.0019763 k( 73) = ( 0.2010471 0.4434713 0.0000000), wk = 0.0019763 k( 74) = ( 0.1892208 0.4467965 0.0000000), wk = 0.0019763 k( 75) = ( 0.1773945 0.4501217 0.0000000), wk = 0.0019763 k( 76) = ( 0.1655682 0.4534470 0.0000000), wk = 0.0019763 k( 77) = ( 0.1537419 0.4567722 0.0000000), wk = 0.0019763 k( 78) = ( 0.1419156 0.4600974 0.0000000), wk = 0.0019763 k( 79) = ( 0.1300893 0.4634226 0.0000000), wk = 0.0019763 k( 80) = ( 0.1182630 0.4667478 0.0000000), wk = 0.0019763 k( 81) = ( 0.1064367 0.4700730 0.0000000), wk = 0.0019763 k( 82) = ( 0.0946104 0.4733983 0.0000000), wk = 0.0019763 k( 83) = ( 0.0827841 0.4767235 0.0000000), wk = 0.0019763 k( 84) = ( 0.0709578 0.4800487 0.0000000), wk = 0.0019763 k( 85) = ( 0.0591315 0.4833739 0.0000000), wk = 0.0019763 k( 86) = ( 0.0473052 0.4866991 0.0000000), wk = 0.0019763 k( 87) = ( 0.0354789 0.4900244 0.0000000), wk = 0.0019763 k( 88) = ( 0.0236526 0.4933496 0.0000000), wk = 0.0019763 k( 89) = ( 0.0118263 0.4966748 0.0000000), wk = 0.0019763 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 91) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019763 k( 92) = ( 0.0000000 0.5000000 0.0111111), wk = 0.0019763 k( 93) = ( 0.0000000 0.5000000 0.0222222), wk = 0.0019763 k( 94) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0019763 k( 95) = ( 0.0000000 0.5000000 0.0444444), wk = 0.0019763 k( 96) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0019763 k( 97) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0019763 k( 98) = ( 0.0000000 0.5000000 0.0777778), wk = 0.0019763 k( 99) = ( 0.0000000 0.5000000 0.0888889), wk = 0.0019763 k( 100) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0019763 k( 101) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0019763 k( 102) = ( 0.0000000 0.5000000 0.1222222), wk = 0.0019763 k( 103) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0019763 k( 104) = ( 0.0000000 0.5000000 0.1444444), wk = 0.0019763 k( 105) = ( 0.0000000 0.5000000 0.1555556), wk = 0.0019763 k( 106) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0019763 k( 107) = ( 0.0000000 0.5000000 0.1777778), wk = 0.0019763 k( 108) = ( 0.0000000 0.5000000 0.1888889), wk = 0.0019763 k( 109) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0019763 k( 110) = ( 0.0000000 0.5000000 0.2111111), wk = 0.0019763 k( 111) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0019763 k( 112) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0019763 k( 113) = ( 0.0000000 0.5000000 0.2444444), wk = 0.0019763 k( 114) = ( 0.0000000 0.5000000 0.2555556), wk = 0.0019763 k( 115) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0019763 k( 116) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0019763 k( 117) = ( 0.0000000 0.5000000 0.2888889), wk = 0.0019763 k( 118) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0019763 k( 119) = ( 0.0000000 0.5000000 0.3111111), wk = 0.0019763 k( 120) = ( 0.0000000 0.5000000 0.3222222), wk = 0.0019763 k( 121) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0019763 k( 122) = ( 0.0000000 0.5000000 0.3444444), wk = 0.0019763 k( 123) = ( 0.0000000 0.5000000 0.3555556), wk = 0.0019763 k( 124) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0019763 k( 125) = ( 0.0000000 0.5000000 0.3777778), wk = 0.0019763 k( 126) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0019763 k( 127) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0019763 k( 128) = ( 0.0000000 0.5000000 0.4111111), wk = 0.0019763 k( 129) = ( 0.0000000 0.5000000 0.4222222), wk = 0.0019763 k( 130) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0019763 k( 131) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0019763 k( 132) = ( 0.0000000 0.5000000 0.4555556), wk = 0.0019763 k( 133) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0019763 k( 134) = ( 0.0000000 0.5000000 0.4777778), wk = 0.0019763 k( 135) = ( 0.0000000 0.5000000 0.4888889), wk = 0.0019763 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019763 k( 137) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019763 k( 138) = ( 0.0118263 0.4966748 0.5000000), wk = 0.0019763 k( 139) = ( 0.0236526 0.4933496 0.5000000), wk = 0.0019763 k( 140) = ( 0.0354789 0.4900244 0.5000000), wk = 0.0019763 k( 141) = ( 0.0473052 0.4866991 0.5000000), wk = 0.0019763 k( 142) = ( 0.0591315 0.4833739 0.5000000), wk = 0.0019763 k( 143) = ( 0.0709578 0.4800487 0.5000000), wk = 0.0019763 k( 144) = ( 0.0827841 0.4767235 0.5000000), wk = 0.0019763 k( 145) = ( 0.0946104 0.4733983 0.5000000), wk = 0.0019763 k( 146) = ( 0.1064367 0.4700730 0.5000000), wk = 0.0019763 k( 147) = ( 0.1182630 0.4667478 0.5000000), wk = 0.0019763 k( 148) = ( 0.1300893 0.4634226 0.5000000), wk = 0.0019763 k( 149) = ( 0.1419156 0.4600974 0.5000000), wk = 0.0019763 k( 150) = ( 0.1537419 0.4567722 0.5000000), wk = 0.0019763 k( 151) = ( 0.1655682 0.4534470 0.5000000), wk = 0.0019763 k( 152) = ( 0.1773945 0.4501217 0.5000000), wk = 0.0019763 k( 153) = ( 0.1892208 0.4467965 0.5000000), wk = 0.0019763 k( 154) = ( 0.2010471 0.4434713 0.5000000), wk = 0.0019763 k( 155) = ( 0.2128734 0.4401461 0.5000000), wk = 0.0019763 k( 156) = ( 0.2246997 0.4368209 0.5000000), wk = 0.0019763 k( 157) = ( 0.2365260 0.4334957 0.5000000), wk = 0.0019763 k( 158) = ( 0.2483522 0.4301704 0.5000000), wk = 0.0019763 k( 159) = ( 0.2601786 0.4268452 0.5000000), wk = 0.0019763 k( 160) = ( 0.2720048 0.4235200 0.5000000), wk = 0.0019763 k( 161) = ( 0.2838311 0.4201948 0.5000000), wk = 0.0019763 k( 162) = ( 0.2956574 0.4168696 0.5000000), wk = 0.0019763 k( 163) = ( 0.3074837 0.4135443 0.5000000), wk = 0.0019763 k( 164) = ( 0.3193100 0.4102191 0.5000000), wk = 0.0019763 k( 165) = ( 0.3311363 0.4068939 0.5000000), wk = 0.0019763 k( 166) = ( 0.3429626 0.4035687 0.5000000), wk = 0.0019763 k( 167) = ( 0.3547889 0.4002435 0.5000000), wk = 0.0019763 k( 168) = ( 0.3666152 0.3969183 0.5000000), wk = 0.0019763 k( 169) = ( 0.3784415 0.3935930 0.5000000), wk = 0.0019763 k( 170) = ( 0.3902678 0.3902678 0.5000000), wk = 0.0019763 k( 171) = ( 0.3902678 0.3902678 0.5000000), wk = 0.0019763 k( 172) = ( 0.3831720 0.3831720 0.5000000), wk = 0.0019763 k( 173) = ( 0.3760763 0.3760763 0.5000000), wk = 0.0019763 k( 174) = ( 0.3689805 0.3689805 0.5000000), wk = 0.0019763 k( 175) = ( 0.3618847 0.3618847 0.5000000), wk = 0.0019763 k( 176) = ( 0.3547889 0.3547889 0.5000000), wk = 0.0019763 k( 177) = ( 0.3476932 0.3476932 0.5000000), wk = 0.0019763 k( 178) = ( 0.3405974 0.3405974 0.5000000), wk = 0.0019763 k( 179) = ( 0.3335016 0.3335016 0.5000000), wk = 0.0019763 k( 180) = ( 0.3264058 0.3264058 0.5000000), wk = 0.0019763 k( 181) = ( 0.3193100 0.3193100 0.5000000), wk = 0.0019763 k( 182) = ( 0.3122143 0.3122143 0.5000000), wk = 0.0019763 k( 183) = ( 0.3051185 0.3051185 0.5000000), wk = 0.0019763 k( 184) = ( 0.2980227 0.2980227 0.5000000), wk = 0.0019763 k( 185) = ( 0.2909269 0.2909269 0.5000000), wk = 0.0019763 k( 186) = ( 0.2838311 0.2838311 0.5000000), wk = 0.0019763 k( 187) = ( 0.2767354 0.2767354 0.5000000), wk = 0.0019763 k( 188) = ( 0.2696396 0.2696396 0.5000000), wk = 0.0019763 k( 189) = ( 0.2625438 0.2625438 0.5000000), wk = 0.0019763 k( 190) = ( 0.2554480 0.2554480 0.5000000), wk = 0.0019763 k( 191) = ( 0.2483522 0.2483522 0.5000000), wk = 0.0019763 k( 192) = ( 0.2412565 0.2412565 0.5000000), wk = 0.0019763 k( 193) = ( 0.2341607 0.2341607 0.5000000), wk = 0.0019763 k( 194) = ( 0.2270649 0.2270649 0.5000000), wk = 0.0019763 k( 195) = ( 0.2199691 0.2199691 0.5000000), wk = 0.0019763 k( 196) = ( 0.2128734 0.2128734 0.5000000), wk = 0.0019763 k( 197) = ( 0.2057776 0.2057776 0.5000000), wk = 0.0019763 k( 198) = ( 0.1986818 0.1986818 0.5000000), wk = 0.0019763 k( 199) = ( 0.1915860 0.1915860 0.5000000), wk = 0.0019763 k( 200) = ( 0.1844902 0.1844902 0.5000000), wk = 0.0019763 k( 201) = ( 0.1773945 0.1773945 0.5000000), wk = 0.0019763 k( 202) = ( 0.1702987 0.1702987 0.5000000), wk = 0.0019763 k( 203) = ( 0.1632029 0.1632029 0.5000000), wk = 0.0019763 k( 204) = ( 0.1561071 0.1561071 0.5000000), wk = 0.0019763 k( 205) = ( 0.1490113 0.1490114 0.5000000), wk = 0.0019763 k( 206) = ( 0.1419156 0.1419156 0.5000000), wk = 0.0019763 k( 207) = ( 0.1348198 0.1348198 0.5000000), wk = 0.0019763 k( 208) = ( 0.1277240 0.1277240 0.5000000), wk = 0.0019763 k( 209) = ( 0.1206282 0.1206282 0.5000000), wk = 0.0019763 k( 210) = ( 0.1135325 0.1135325 0.5000000), wk = 0.0019763 k( 211) = ( 0.1064367 0.1064367 0.5000000), wk = 0.0019763 k( 212) = ( 0.0993409 0.0993409 0.5000000), wk = 0.0019763 k( 213) = ( 0.0922451 0.0922451 0.5000000), wk = 0.0019763 k( 214) = ( 0.0851493 0.0851493 0.5000000), wk = 0.0019763 k( 215) = ( 0.0780536 0.0780536 0.5000000), wk = 0.0019763 k( 216) = ( 0.0709578 0.0709578 0.5000000), wk = 0.0019763 k( 217) = ( 0.0638620 0.0638620 0.5000000), wk = 0.0019763 k( 218) = ( 0.0567662 0.0567662 0.5000000), wk = 0.0019763 k( 219) = ( 0.0496704 0.0496704 0.5000000), wk = 0.0019763 k( 220) = ( 0.0425747 0.0425747 0.5000000), wk = 0.0019763 k( 221) = ( 0.0354789 0.0354789 0.5000000), wk = 0.0019763 k( 222) = ( 0.0283831 0.0283831 0.5000000), wk = 0.0019763 k( 223) = ( 0.0212873 0.0212873 0.5000000), wk = 0.0019763 k( 224) = ( 0.0141916 0.0141916 0.5000000), wk = 0.0019763 k( 225) = ( 0.0070958 0.0070958 0.5000000), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 228) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0019763 k( 229) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0019763 k( 230) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0019763 k( 231) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0019763 k( 232) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0019763 k( 233) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0019763 k( 234) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0019763 k( 235) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0019763 k( 236) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0019763 k( 237) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0019763 k( 238) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0019763 k( 239) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0019763 k( 240) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0019763 k( 241) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0019763 k( 242) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019763 k( 243) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0019763 k( 244) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0019763 k( 245) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0019763 k( 246) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0019763 k( 247) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0019763 k( 248) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0019763 k( 249) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0019763 k( 250) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0019763 k( 251) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0019763 k( 252) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0019763 k( 253) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0019763 k( 254) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0019763 k( 255) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0019763 k( 256) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0019763 k( 257) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019763 k( 258) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0019763 k( 259) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0019763 k( 260) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0019763 k( 261) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0019763 k( 262) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0019763 k( 263) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0019763 k( 264) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0019763 k( 265) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0019763 k( 266) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0019763 k( 267) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0019763 k( 268) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0019763 k( 269) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0019763 k( 270) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0019763 k( 271) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0019763 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 273) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 274) = ( -0.0094340 0.0094340 -0.0000000), wk = 0.0019763 k( 275) = ( -0.0188679 0.0188679 -0.0000000), wk = 0.0019763 k( 276) = ( -0.0283019 0.0283019 -0.0000000), wk = 0.0019763 k( 277) = ( -0.0377359 0.0377359 -0.0000000), wk = 0.0019763 k( 278) = ( -0.0471698 0.0471698 -0.0000000), wk = 0.0019763 k( 279) = ( -0.0566038 0.0566038 -0.0000000), wk = 0.0019763 k( 280) = ( -0.0660377 0.0660377 -0.0000000), wk = 0.0019763 k( 281) = ( -0.0754717 0.0754717 -0.0000000), wk = 0.0019763 k( 282) = ( -0.0849057 0.0849057 -0.0000000), wk = 0.0019763 k( 283) = ( -0.0943396 0.0943396 -0.0000000), wk = 0.0019763 k( 284) = ( -0.1037736 0.1037736 -0.0000000), wk = 0.0019763 k( 285) = ( -0.1132076 0.1132076 -0.0000000), wk = 0.0019763 k( 286) = ( -0.1226415 0.1226415 -0.0000000), wk = 0.0019763 k( 287) = ( -0.1320755 0.1320755 -0.0000000), wk = 0.0019763 k( 288) = ( -0.1415094 0.1415094 -0.0000000), wk = 0.0019763 k( 289) = ( -0.1509434 0.1509434 -0.0000000), wk = 0.0019763 k( 290) = ( -0.1603774 0.1603774 -0.0000000), wk = 0.0019763 k( 291) = ( -0.1698113 0.1698113 -0.0000000), wk = 0.0019763 k( 292) = ( -0.1792453 0.1792453 -0.0000000), wk = 0.0019763 k( 293) = ( -0.1886792 0.1886792 -0.0000000), wk = 0.0019763 k( 294) = ( -0.1981132 0.1981132 -0.0000000), wk = 0.0019763 k( 295) = ( -0.2075472 0.2075472 -0.0000000), wk = 0.0019763 k( 296) = ( -0.2169811 0.2169811 -0.0000000), wk = 0.0019763 k( 297) = ( -0.2264151 0.2264151 -0.0000000), wk = 0.0019763 k( 298) = ( -0.2358491 0.2358491 -0.0000000), wk = 0.0019763 k( 299) = ( -0.2452830 0.2452830 -0.0000000), wk = 0.0019763 k( 300) = ( -0.2547170 0.2547170 0.0000000), wk = 0.0019763 k( 301) = ( -0.2641509 0.2641509 -0.0000000), wk = 0.0019763 k( 302) = ( -0.2735849 0.2735849 -0.0000000), wk = 0.0019763 k( 303) = ( -0.2830189 0.2830189 -0.0000000), wk = 0.0019763 k( 304) = ( -0.2924528 0.2924528 -0.0000000), wk = 0.0019763 k( 305) = ( -0.3018868 0.3018868 -0.0000000), wk = 0.0019763 k( 306) = ( -0.3113207 0.3113207 -0.0000000), wk = 0.0019763 k( 307) = ( -0.3207547 0.3207547 -0.0000000), wk = 0.0019763 k( 308) = ( -0.3301887 0.3301887 -0.0000000), wk = 0.0019763 k( 309) = ( -0.3396226 0.3396226 -0.0000000), wk = 0.0019763 k( 310) = ( -0.3490566 0.3490566 -0.0000000), wk = 0.0019763 k( 311) = ( -0.3584906 0.3584906 -0.0000000), wk = 0.0019763 k( 312) = ( -0.3679245 0.3679245 -0.0000000), wk = 0.0019763 k( 313) = ( -0.3773585 0.3773585 -0.0000000), wk = 0.0019763 k( 314) = ( -0.3867925 0.3867925 -0.0000000), wk = 0.0019763 k( 315) = ( -0.3962264 0.3962264 -0.0000000), wk = 0.0019763 k( 316) = ( -0.4056604 0.4056604 -0.0000000), wk = 0.0019763 k( 317) = ( -0.4150943 0.4150943 -0.0000000), wk = 0.0019763 k( 318) = ( -0.4245283 0.4245283 -0.0000000), wk = 0.0019763 k( 319) = ( -0.4339623 0.4339623 -0.0000000), wk = 0.0019763 k( 320) = ( -0.4433962 0.4433962 -0.0000000), wk = 0.0019763 k( 321) = ( -0.4528302 0.4528302 -0.0000000), wk = 0.0019763 k( 322) = ( -0.4622641 0.4622641 -0.0000000), wk = 0.0019763 k( 323) = ( -0.4716981 0.4716981 -0.0000000), wk = 0.0019763 k( 324) = ( -0.4811321 0.4811321 -0.0000000), wk = 0.0019763 k( 325) = ( -0.4905660 0.4905660 -0.0000000), wk = 0.0019763 k( 326) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0019763 k( 327) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0019763 k( 328) = ( -0.4931417 0.5068583 -0.0000000), wk = 0.0019763 k( 329) = ( -0.4862835 0.5137165 0.0000000), wk = 0.0019763 k( 330) = ( -0.4794252 0.5205748 -0.0000000), wk = 0.0019763 k( 331) = ( -0.4725669 0.5274330 -0.0000000), wk = 0.0019763 k( 332) = ( -0.4657087 0.5342913 0.0000000), wk = 0.0019763 k( 333) = ( -0.4588504 0.5411496 -0.0000000), wk = 0.0019763 k( 334) = ( -0.4519922 0.5480078 -0.0000000), wk = 0.0019763 k( 335) = ( -0.4451339 0.5548661 0.0000000), wk = 0.0019763 k( 336) = ( -0.4382757 0.5617243 -0.0000000), wk = 0.0019763 k( 337) = ( -0.4314174 0.5685826 0.0000000), wk = 0.0019763 k( 338) = ( -0.4245591 0.5754409 -0.0000000), wk = 0.0019763 k( 339) = ( -0.4177009 0.5822991 -0.0000000), wk = 0.0019763 k( 340) = ( -0.4108426 0.5891574 0.0000000), wk = 0.0019763 k( 341) = ( -0.4039843 0.5960157 -0.0000000), wk = 0.0019763 k( 342) = ( -0.3971261 0.6028739 0.0000000), wk = 0.0019763 k( 343) = ( -0.3902678 0.6097322 0.0000000), wk = 0.0019763 k( 344) = ( -0.3902678 0.6097322 0.0000000), wk = 0.0019763 k( 345) = ( -0.3902678 0.6097322 0.0111111), wk = 0.0019763 k( 346) = ( -0.3902678 0.6097322 0.0222222), wk = 0.0019763 k( 347) = ( -0.3902678 0.6097322 0.0333333), wk = 0.0019763 k( 348) = ( -0.3902678 0.6097322 0.0444444), wk = 0.0019763 k( 349) = ( -0.3902678 0.6097322 0.0555556), wk = 0.0019763 k( 350) = ( -0.3902678 0.6097322 0.0666667), wk = 0.0019763 k( 351) = ( -0.3902678 0.6097322 0.0777778), wk = 0.0019763 k( 352) = ( -0.3902678 0.6097322 0.0888889), wk = 0.0019763 k( 353) = ( -0.3902678 0.6097322 0.1000000), wk = 0.0019763 k( 354) = ( -0.3902678 0.6097322 0.1111111), wk = 0.0019763 k( 355) = ( -0.3902678 0.6097322 0.1222222), wk = 0.0019763 k( 356) = ( -0.3902678 0.6097322 0.1333333), wk = 0.0019763 k( 357) = ( -0.3902678 0.6097322 0.1444444), wk = 0.0019763 k( 358) = ( -0.3902678 0.6097322 0.1555556), wk = 0.0019763 k( 359) = ( -0.3902678 0.6097322 0.1666667), wk = 0.0019763 k( 360) = ( -0.3902678 0.6097322 0.1777778), wk = 0.0019763 k( 361) = ( -0.3902678 0.6097322 0.1888889), wk = 0.0019763 k( 362) = ( -0.3902678 0.6097322 0.2000000), wk = 0.0019763 k( 363) = ( -0.3902678 0.6097322 0.2111111), wk = 0.0019763 k( 364) = ( -0.3902678 0.6097322 0.2222222), wk = 0.0019763 k( 365) = ( -0.3902678 0.6097322 0.2333333), wk = 0.0019763 k( 366) = ( -0.3902678 0.6097322 0.2444444), wk = 0.0019763 k( 367) = ( -0.3902678 0.6097322 0.2555556), wk = 0.0019763 k( 368) = ( -0.3902678 0.6097322 0.2666667), wk = 0.0019763 k( 369) = ( -0.3902678 0.6097322 0.2777778), wk = 0.0019763 k( 370) = ( -0.3902678 0.6097322 0.2888889), wk = 0.0019763 k( 371) = ( -0.3902678 0.6097322 0.3000000), wk = 0.0019763 k( 372) = ( -0.3902678 0.6097322 0.3111111), wk = 0.0019763 k( 373) = ( -0.3902678 0.6097322 0.3222222), wk = 0.0019763 k( 374) = ( -0.3902678 0.6097322 0.3333333), wk = 0.0019763 k( 375) = ( -0.3902678 0.6097322 0.3444444), wk = 0.0019763 k( 376) = ( -0.3902678 0.6097322 0.3555556), wk = 0.0019763 k( 377) = ( -0.3902678 0.6097322 0.3666667), wk = 0.0019763 k( 378) = ( -0.3902678 0.6097322 0.3777778), wk = 0.0019763 k( 379) = ( -0.3902678 0.6097322 0.3888889), wk = 0.0019763 k( 380) = ( -0.3902678 0.6097322 0.4000000), wk = 0.0019763 k( 381) = ( -0.3902678 0.6097322 0.4111111), wk = 0.0019763 k( 382) = ( -0.3902678 0.6097322 0.4222222), wk = 0.0019763 k( 383) = ( -0.3902678 0.6097322 0.4333333), wk = 0.0019763 k( 384) = ( -0.3902678 0.6097322 0.4444444), wk = 0.0019763 k( 385) = ( -0.3902678 0.6097322 0.4555556), wk = 0.0019763 k( 386) = ( -0.3902678 0.6097322 0.4666667), wk = 0.0019763 k( 387) = ( -0.3902678 0.6097322 0.4777778), wk = 0.0019763 k( 388) = ( -0.3902678 0.6097322 0.4888889), wk = 0.0019763 k( 389) = ( -0.3902678 0.6097322 0.5000000), wk = 0.0019763 k( 390) = ( -0.3902678 0.6097322 0.5000000), wk = 0.0019763 k( 391) = ( -0.3971261 0.6028739 0.5000000), wk = 0.0019763 k( 392) = ( -0.4039843 0.5960157 0.5000000), wk = 0.0019763 k( 393) = ( -0.4108426 0.5891574 0.5000000), wk = 0.0019763 k( 394) = ( -0.4177009 0.5822991 0.5000000), wk = 0.0019763 k( 395) = ( -0.4245591 0.5754409 0.5000000), wk = 0.0019763 k( 396) = ( -0.4314174 0.5685826 0.5000000), wk = 0.0019763 k( 397) = ( -0.4382757 0.5617243 0.5000000), wk = 0.0019763 k( 398) = ( -0.4451339 0.5548661 0.5000000), wk = 0.0019763 k( 399) = ( -0.4519922 0.5480078 0.5000000), wk = 0.0019763 k( 400) = ( -0.4588504 0.5411496 0.5000000), wk = 0.0019763 k( 401) = ( -0.4657087 0.5342913 0.5000000), wk = 0.0019763 k( 402) = ( -0.4725669 0.5274330 0.5000000), wk = 0.0019763 k( 403) = ( -0.4794252 0.5205748 0.5000000), wk = 0.0019763 k( 404) = ( -0.4862835 0.5137165 0.5000000), wk = 0.0019763 k( 405) = ( -0.4931417 0.5068583 0.5000000), wk = 0.0019763 k( 406) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 k( 407) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 k( 408) = ( -0.5000000 0.5000000 0.4888889), wk = 0.0019763 k( 409) = ( -0.5000000 0.5000000 0.4777778), wk = 0.0019763 k( 410) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0019763 k( 411) = ( -0.5000000 0.5000000 0.4555556), wk = 0.0019763 k( 412) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0019763 k( 413) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0019763 k( 414) = ( -0.5000000 0.5000000 0.4222222), wk = 0.0019763 k( 415) = ( -0.5000000 0.5000000 0.4111111), wk = 0.0019763 k( 416) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0019763 k( 417) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0019763 k( 418) = ( -0.5000000 0.5000000 0.3777778), wk = 0.0019763 k( 419) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0019763 k( 420) = ( -0.5000000 0.5000000 0.3555556), wk = 0.0019763 k( 421) = ( -0.5000000 0.5000000 0.3444444), wk = 0.0019763 k( 422) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0019763 k( 423) = ( -0.5000000 0.5000000 0.3222222), wk = 0.0019763 k( 424) = ( -0.5000000 0.5000000 0.3111111), wk = 0.0019763 k( 425) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0019763 k( 426) = ( -0.5000000 0.5000000 0.2888889), wk = 0.0019763 k( 427) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0019763 k( 428) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0019763 k( 429) = ( -0.5000000 0.5000000 0.2555556), wk = 0.0019763 k( 430) = ( -0.5000000 0.5000000 0.2444444), wk = 0.0019763 k( 431) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0019763 k( 432) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0019763 k( 433) = ( -0.5000000 0.5000000 0.2111111), wk = 0.0019763 k( 434) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0019763 k( 435) = ( -0.5000000 0.5000000 0.1888889), wk = 0.0019763 k( 436) = ( -0.5000000 0.5000000 0.1777778), wk = 0.0019763 k( 437) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0019763 k( 438) = ( -0.5000000 0.5000000 0.1555556), wk = 0.0019763 k( 439) = ( -0.5000000 0.5000000 0.1444444), wk = 0.0019763 k( 440) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0019763 k( 441) = ( -0.5000000 0.5000000 0.1222222), wk = 0.0019763 k( 442) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0019763 k( 443) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0019763 k( 444) = ( -0.5000000 0.5000000 0.0888889), wk = 0.0019763 k( 445) = ( -0.5000000 0.5000000 0.0777778), wk = 0.0019763 k( 446) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0019763 k( 447) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0019763 k( 448) = ( -0.5000000 0.5000000 0.0444444), wk = 0.0019763 k( 449) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0019763 k( 450) = ( -0.5000000 0.5000000 0.0222222), wk = 0.0019763 k( 451) = ( -0.5000000 0.5000000 0.0111111), wk = 0.0019763 k( 452) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0019763 k( 453) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019763 k( 454) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0019763 k( 455) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0019763 k( 456) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0019763 k( 457) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0019763 k( 458) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0019763 k( 459) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0019763 k( 460) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0019763 k( 461) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0019763 k( 462) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0019763 k( 463) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0019763 k( 464) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0019763 k( 465) = ( -0.1132076 0.1132076 0.5000000), wk = 0.0019763 k( 466) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0019763 k( 467) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0019763 k( 468) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0019763 k( 469) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0019763 k( 470) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0019763 k( 471) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0019763 k( 472) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0019763 k( 473) = ( -0.1886792 0.1886792 0.5000000), wk = 0.0019763 k( 474) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0019763 k( 475) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0019763 k( 476) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0019763 k( 477) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0019763 k( 478) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0019763 k( 479) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0019763 k( 480) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0019763 k( 481) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0019763 k( 482) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0019763 k( 483) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0019763 k( 484) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0019763 k( 485) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0019763 k( 486) = ( -0.3113207 0.3113207 0.5000000), wk = 0.0019763 k( 487) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0019763 k( 488) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0019763 k( 489) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0019763 k( 490) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0019763 k( 491) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0019763 k( 492) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0019763 k( 493) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0019763 k( 494) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0019763 k( 495) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0019763 k( 496) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0019763 k( 497) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0019763 k( 498) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0019763 k( 499) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0019763 k( 500) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0019763 k( 501) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0019763 k( 502) = ( -0.4622641 0.4622641 0.5000000), wk = 0.0019763 k( 503) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0019763 k( 504) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0019763 k( 505) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0019763 k( 506) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019763 Dense grid: 32603 G-vectors FFT dimensions: ( 45, 45, 40) Smooth grid: 13743 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 76, 36) NL pseudopotentials 0.06 Mb ( 38, 96) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 683) G-vector shells 0.00 Mb ( 336) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 76, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./YCoC2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.7 secs Computing kpt #: 3 total cpu time spent up to now is 43.3 secs Computing kpt #: 4 total cpu time spent up to now is 43.8 secs Computing kpt #: 5 total cpu time spent up to now is 44.4 secs Computing kpt #: 6 total cpu time spent up to now is 44.9 secs Computing kpt #: 7 total cpu time spent up to now is 45.5 secs Computing kpt #: 8 total cpu time spent up to now is 46.1 secs Computing kpt #: 9 total cpu time spent up to now is 46.6 secs Computing kpt #: 10 total cpu time spent up to now is 47.2 secs Computing kpt #: 11 total cpu time spent up to now is 47.7 secs Computing kpt #: 12 total cpu time spent up to now is 48.3 secs Computing kpt #: 13 total cpu time spent up to now is 48.9 secs Computing kpt #: 14 total cpu time spent up to now is 49.6 secs Computing kpt #: 15 total cpu time spent up to now is 50.3 secs Computing kpt #: 16 total cpu time spent up to now is 51.0 secs Computing kpt #: 17 total cpu time spent up to now is 51.6 secs Computing kpt #: 18 total cpu time spent up to now is 52.3 secs Computing kpt #: 19 total cpu time spent up to now is 52.9 secs Computing kpt #: 20 total cpu time spent up to now is 53.6 secs Computing kpt #: 21 total cpu time spent up to now is 54.2 secs Computing kpt #: 22 total cpu time spent up to now is 55.0 secs Computing kpt #: 23 total cpu time spent up to now is 55.6 secs Computing kpt #: 24 total cpu time spent up to now is 56.1 secs Computing kpt #: 25 total cpu time spent up to now is 56.7 secs Computing kpt #: 26 total cpu time spent up to now is 57.3 secs Computing kpt #: 27 total cpu time spent up to now is 58.1 secs Computing kpt #: 28 total cpu time spent up to now is 58.8 secs Computing kpt #: 29 total cpu time spent up to now is 59.3 secs Computing kpt #: 30 total cpu time spent up to now is 59.9 secs Computing kpt #: 31 total cpu time spent up to now is 60.5 secs Computing kpt #: 32 total cpu time spent up to now is 61.0 secs Computing kpt #: 33 total cpu time spent up to now is 61.6 secs Computing kpt #: 34 total cpu time spent up to now is 62.2 secs Computing kpt #: 35 total cpu time spent up to now is 62.9 secs Computing kpt #: 36 total cpu time spent up to now is 63.5 secs Computing kpt #: 37 total cpu time spent up to now is 64.0 secs Computing kpt #: 38 total cpu time spent up to now is 64.5 secs Computing kpt #: 39 total cpu time spent up to now is 65.0 secs Computing kpt #: 40 total cpu time spent up to now is 65.5 secs Computing kpt #: 41 total cpu time spent up to now is 66.0 secs Computing kpt #: 42 total cpu time spent up to now is 66.5 secs Computing kpt #: 43 total cpu time spent up to now is 67.0 secs Computing kpt #: 44 total cpu time spent up to now is 67.7 secs Computing kpt #: 45 total cpu time spent up to now is 68.2 secs Computing kpt #: 46 total cpu time spent up to now is 68.7 secs Computing kpt #: 47 total cpu time spent up to now is 69.3 secs Computing kpt #: 48 total cpu time spent up to now is 69.8 secs Computing kpt #: 49 total cpu time spent up to now is 70.5 secs Computing kpt #: 50 total cpu time spent up to now is 71.4 secs Computing kpt #: 51 total cpu time spent up to now is 71.9 secs Computing kpt #: 52 total cpu time spent up to now is 72.5 secs Computing kpt #: 53 total cpu time spent up to now is 73.0 secs Computing kpt #: 54 total cpu time spent up to now is 73.4 secs Computing kpt #: 55 total cpu time spent up to now is 73.9 secs Computing kpt #: 56 total cpu time spent up to now is 74.4 secs Computing kpt #: 57 total cpu time spent up to now is 74.9 secs Computing kpt #: 58 total cpu time spent up to now is 75.4 secs Computing kpt #: 59 total cpu time spent up to now is 76.0 secs Computing kpt #: 60 total cpu time spent up to now is 76.5 secs Computing kpt #: 61 total cpu time spent up to now is 77.0 secs Computing kpt #: 62 total cpu time spent up to now is 77.5 secs Computing kpt #: 63 total cpu time spent up to now is 78.0 secs Computing kpt #: 64 total cpu time spent up to now is 78.6 secs Computing kpt #: 65 total cpu time spent up to now is 79.2 secs Computing kpt #: 66 total cpu time spent up to now is 79.8 secs Computing kpt #: 67 total cpu time spent up to now is 80.4 secs Computing kpt #: 68 total cpu time spent up to now is 80.9 secs Computing kpt #: 69 total cpu time spent up to now is 81.4 secs Computing kpt #: 70 total cpu time spent up to now is 82.0 secs Computing kpt #: 71 total cpu time spent up to now is 82.5 secs Computing kpt #: 72 total cpu time spent up to now is 83.0 secs Computing kpt #: 73 total cpu time spent up to now is 83.6 secs Computing kpt #: 74 total cpu time spent up to now is 84.1 secs Computing kpt #: 75 total cpu time spent up to now is 84.8 secs Computing kpt #: 76 total cpu time spent up to now is 85.5 secs Computing kpt #: 77 total cpu time spent up to now is 86.1 secs Computing kpt #: 78 total cpu time spent up to now is 86.8 secs Computing kpt #: 79 total cpu time spent up to now is 87.4 secs Computing kpt #: 80 total cpu time spent up to now is 88.1 secs Computing kpt #: 81 total cpu time spent up to now is 89.0 secs Computing kpt #: 82 total cpu time spent up to now is 89.5 secs Computing kpt #: 83 total cpu time spent up to now is 90.3 secs Computing kpt #: 84 total cpu time spent up to now is 90.9 secs Computing kpt #: 85 total cpu time spent up to now is 91.6 secs Computing kpt #: 86 total cpu time spent up to now is 92.2 secs Computing kpt #: 87 total cpu time spent up to now is 93.2 secs Computing kpt #: 88 total cpu time spent up to now is 93.8 secs Computing kpt #: 89 total cpu time spent up to now is 94.5 secs Computing kpt #: 90 total cpu time spent up to now is 95.1 secs Computing kpt #: 91 total cpu time spent up to now is 95.6 secs Computing kpt #: 92 total cpu time spent up to now is 96.4 secs Computing kpt #: 93 total cpu time spent up to now is 96.9 secs Computing kpt #: 94 total cpu time spent up to now is 97.6 secs Computing kpt #: 95 total cpu time spent up to now is 98.1 secs Computing kpt #: 96 total cpu time spent up to now is 99.1 secs Computing kpt #: 97 total cpu time spent up to now is 99.6 secs Computing kpt #: 98 total cpu time spent up to now is 100.2 secs Computing kpt #: 99 total cpu time spent up to now is 101.0 secs Computing kpt #: 100 total cpu time spent up to now is 101.6 secs Computing kpt #: 101 total cpu time spent up to now is 102.1 secs Computing kpt #: 102 total cpu time spent up to now is 103.0 secs Computing kpt #: 103 total cpu time spent up to now is 103.6 secs Computing kpt #: 104 total cpu time spent up to now is 104.2 secs Computing kpt #: 105 total cpu time spent up to now is 104.8 secs Computing kpt #: 106 total cpu time spent up to now is 105.7 secs Computing kpt #: 107 total cpu time spent up to now is 106.3 secs Computing kpt #: 108 total cpu time spent up to now is 107.0 secs Computing kpt #: 109 total cpu time spent up to now is 107.8 secs Computing kpt #: 110 total cpu time spent up to now is 108.4 secs Computing kpt #: 111 total cpu time spent up to now is 109.0 secs Computing kpt #: 112 total cpu time spent up to now is 109.6 secs Computing kpt #: 113 total cpu time spent up to now is 110.1 secs Computing kpt #: 114 total cpu time spent up to now is 110.7 secs Computing kpt #: 115 total cpu time spent up to now is 111.3 secs Computing kpt #: 116 total cpu time spent up to now is 111.8 secs Computing kpt #: 117 total cpu time spent up to now is 112.5 secs Computing kpt #: 118 total cpu time spent up to now is 113.2 secs Computing kpt #: 119 total cpu time spent up to now is 113.8 secs Computing kpt #: 120 total cpu time spent up to now is 114.4 secs Computing kpt #: 121 total cpu time spent up to now is 115.1 secs Computing kpt #: 122 total cpu time spent up to now is 115.8 secs Computing kpt #: 123 total cpu time spent up to now is 116.4 secs Computing kpt #: 124 total cpu time spent up to now is 117.0 secs Computing kpt #: 125 total cpu time spent up to now is 117.7 secs Computing kpt #: 126 total cpu time spent up to now is 118.4 secs Computing kpt #: 127 total cpu time spent up to now is 119.0 secs Computing kpt #: 128 total cpu time spent up to now is 119.6 secs Computing kpt #: 129 total cpu time spent up to now is 120.2 secs Computing kpt #: 130 total cpu time spent up to now is 120.8 secs Computing kpt #: 131 total cpu time spent up to now is 121.3 secs Computing kpt #: 132 total cpu time spent up to now is 121.9 secs Computing kpt #: 133 total cpu time spent up to now is 122.6 secs Computing kpt #: 134 total cpu time spent up to now is 123.3 secs Computing kpt #: 135 total cpu time spent up to now is 123.9 secs Computing kpt #: 136 total cpu time spent up to now is 124.6 secs Computing kpt #: 137 total cpu time spent up to now is 125.2 secs Computing kpt #: 138 total cpu time spent up to now is 125.9 secs Computing kpt #: 139 total cpu time spent up to now is 126.5 secs Computing kpt #: 140 total cpu time spent up to now is 127.0 secs Computing kpt #: 141 total cpu time spent up to now is 127.6 secs Computing kpt #: 142 total cpu time spent up to now is 128.2 secs Computing kpt #: 143 total cpu time spent up to now is 128.8 secs Computing kpt #: 144 total cpu time spent up to now is 129.4 secs Computing kpt #: 145 total cpu time spent up to now is 130.3 secs Computing kpt #: 146 total cpu time spent up to now is 130.9 secs Computing kpt #: 147 total cpu time spent up to now is 131.5 secs Computing kpt #: 148 total cpu time spent up to now is 132.1 secs Computing kpt #: 149 total cpu time spent up to now is 132.9 secs Computing kpt #: 150 total cpu time spent up to now is 133.5 secs Computing kpt #: 151 total cpu time spent up to now is 134.2 secs Computing kpt #: 152 total cpu time spent up to now is 134.9 secs Computing kpt #: 153 total cpu time spent up to now is 135.5 secs Computing kpt #: 154 total cpu time spent up to now is 136.1 secs Computing kpt #: 155 total cpu time spent up to now is 136.7 secs Computing kpt #: 156 total cpu time spent up to now is 137.2 secs Computing kpt #: 157 total cpu time spent up to now is 137.9 secs Computing kpt #: 158 total cpu time spent up to now is 138.5 secs Computing kpt #: 159 total cpu time spent up to now is 139.1 secs Computing kpt #: 160 total cpu time spent up to now is 140.0 secs Computing kpt #: 161 total cpu time spent up to now is 140.8 secs Computing kpt #: 162 total cpu time spent up to now is 141.5 secs Computing kpt #: 163 total cpu time spent up to now is 142.1 secs Computing kpt #: 164 total cpu time spent up to now is 142.7 secs Computing kpt #: 165 total cpu time spent up to now is 143.3 secs Computing kpt #: 166 total cpu time spent up to now is 143.9 secs Computing kpt #: 167 total cpu time spent up to now is 144.4 secs Computing kpt #: 168 total cpu time spent up to now is 145.0 secs Computing kpt #: 169 total cpu time spent up to now is 145.6 secs Computing kpt #: 170 total cpu time spent up to now is 146.2 secs Computing kpt #: 171 total cpu time spent up to now is 146.9 secs Computing kpt #: 172 total cpu time spent up to now is 147.5 secs Computing kpt #: 173 total cpu time spent up to now is 148.2 secs Computing kpt #: 174 total cpu time spent up to now is 149.0 secs Computing kpt #: 175 total cpu time spent up to now is 149.6 secs Computing kpt #: 176 total cpu time spent up to now is 150.1 secs Computing kpt #: 177 total cpu time spent up to now is 150.7 secs Computing kpt #: 178 total cpu time spent up to now is 151.5 secs Computing kpt #: 179 total cpu time spent up to now is 152.5 secs Computing kpt #: 180 total cpu time spent up to now is 153.5 secs Computing kpt #: 181 total cpu time spent up to now is 154.2 secs Computing kpt #: 182 total cpu time spent up to now is 154.8 secs Computing kpt #: 183 total cpu time spent up to now is 155.7 secs Computing kpt #: 184 total cpu time spent up to now is 156.3 secs Computing kpt #: 185 total cpu time spent up to now is 156.9 secs Computing kpt #: 186 total cpu time spent up to now is 157.5 secs Computing kpt #: 187 total cpu time spent up to now is 158.2 secs Computing kpt #: 188 total cpu time spent up to now is 158.9 secs Computing kpt #: 189 total cpu time spent up to now is 159.5 secs Computing kpt #: 190 total cpu time spent up to now is 160.1 secs Computing kpt #: 191 total cpu time spent up to now is 160.7 secs Computing kpt #: 192 total cpu time spent up to now is 161.5 secs Computing kpt #: 193 total cpu time spent up to now is 162.0 secs Computing kpt #: 194 total cpu time spent up to now is 162.6 secs Computing kpt #: 195 total cpu time spent up to now is 163.2 secs Computing kpt #: 196 total cpu time spent up to now is 163.7 secs Computing kpt #: 197 total cpu time spent up to now is 164.4 secs Computing kpt #: 198 total cpu time spent up to now is 165.0 secs Computing kpt #: 199 total cpu time spent up to now is 165.6 secs Computing kpt #: 200 total cpu time spent up to now is 166.2 secs Computing kpt #: 201 total cpu time spent up to now is 166.8 secs Computing kpt #: 202 total cpu time spent up to now is 167.5 secs Computing kpt #: 203 total cpu time spent up to now is 168.1 secs Computing kpt #: 204 total cpu time spent up to now is 168.7 secs Computing kpt #: 205 total cpu time spent up to now is 169.3 secs Computing kpt #: 206 total cpu time spent up to now is 169.8 secs Computing kpt #: 207 total cpu time spent up to now is 170.3 secs Computing kpt #: 208 total cpu time spent up to now is 170.8 secs Computing kpt #: 209 total cpu time spent up to now is 171.3 secs Computing kpt #: 210 total cpu time spent up to now is 171.9 secs Computing kpt #: 211 total cpu time spent up to now is 172.5 secs Computing kpt #: 212 total cpu time spent up to now is 173.1 secs Computing kpt #: 213 total cpu time spent up to now is 173.6 secs Computing kpt #: 214 total cpu time spent up to now is 174.2 secs Computing kpt #: 215 total cpu time spent up to now is 174.9 secs Computing kpt #: 216 total cpu time spent up to now is 175.5 secs Computing kpt #: 217 total cpu time spent up to now is 176.1 secs Computing kpt #: 218 total cpu time spent up to now is 176.6 secs Computing kpt #: 219 total cpu time spent up to now is 177.1 secs Computing kpt #: 220 total cpu time spent up to now is 177.6 secs Computing kpt #: 221 total cpu time spent up to now is 178.1 secs Computing kpt #: 222 total cpu time spent up to now is 178.7 secs Computing kpt #: 223 total cpu time spent up to now is 179.4 secs Computing kpt #: 224 total cpu time spent up to now is 179.9 secs Computing kpt #: 225 total cpu time spent up to now is 180.5 secs Computing kpt #: 226 total cpu time spent up to now is 181.1 secs Computing kpt #: 227 total cpu time spent up to now is 181.6 secs Computing kpt #: 228 total cpu time spent up to now is 182.2 secs Computing kpt #: 229 total cpu time spent up to now is 182.9 secs Computing kpt #: 230 total cpu time spent up to now is 183.6 secs Computing kpt #: 231 total cpu time spent up to now is 184.2 secs Computing kpt #: 232 total cpu time spent up to now is 184.8 secs Computing kpt #: 233 total cpu time spent up to now is 185.3 secs Computing kpt #: 234 total cpu time spent up to now is 185.8 secs Computing kpt #: 235 total cpu time spent up to now is 186.3 secs Computing kpt #: 236 total cpu time spent up to now is 186.9 secs Computing kpt #: 237 total cpu time spent up to now is 187.5 secs Computing kpt #: 238 total cpu time spent up to now is 188.0 secs Computing kpt #: 239 total cpu time spent up to now is 188.6 secs Computing kpt #: 240 total cpu time spent up to now is 189.3 secs Computing kpt #: 241 total cpu time spent up to now is 189.9 secs Computing kpt #: 242 total cpu time spent up to now is 190.4 secs Computing kpt #: 243 total cpu time spent up to now is 191.0 secs Computing kpt #: 244 total cpu time spent up to now is 191.8 secs Computing kpt #: 245 total cpu time spent up to now is 192.3 secs Computing kpt #: 246 total cpu time spent up to now is 192.9 secs Computing kpt #: 247 total cpu time spent up to now is 193.4 secs Computing kpt #: 248 total cpu time spent up to now is 193.9 secs Computing kpt #: 249 total cpu time spent up to now is 194.4 secs Computing kpt #: 250 total cpu time spent up to now is 195.0 secs Computing kpt #: 251 total cpu time spent up to now is 195.9 secs Computing kpt #: 252 total cpu time spent up to now is 196.6 secs Computing kpt #: 253 total cpu time spent up to now is 197.2 secs Computing kpt #: 254 total cpu time spent up to now is 197.7 secs Computing kpt #: 255 total cpu time spent up to now is 198.3 secs Computing kpt #: 256 total cpu time spent up to now is 199.0 secs Computing kpt #: 257 total cpu time spent up to now is 199.6 secs Computing kpt #: 258 total cpu time spent up to now is 200.1 secs Computing kpt #: 259 total cpu time spent up to now is 200.6 secs Computing kpt #: 260 total cpu time spent up to now is 201.1 secs Computing kpt #: 261 total cpu time spent up to now is 201.9 secs Computing kpt #: 262 total cpu time spent up to now is 202.5 secs Computing kpt #: 263 total cpu time spent up to now is 203.2 secs Computing kpt #: 264 total cpu time spent up to now is 203.8 secs Computing kpt #: 265 total cpu time spent up to now is 204.5 secs Computing kpt #: 266 total cpu time spent up to now is 205.0 secs Computing kpt #: 267 total cpu time spent up to now is 205.7 secs Computing kpt #: 268 total cpu time spent up to now is 206.5 secs Computing kpt #: 269 total cpu time spent up to now is 207.1 secs Computing kpt #: 270 total cpu time spent up to now is 207.7 secs Computing kpt #: 271 total cpu time spent up to now is 208.2 secs Computing kpt #: 272 total cpu time spent up to now is 208.8 secs Computing kpt #: 273 total cpu time spent up to now is 209.3 secs Computing kpt #: 274 total cpu time spent up to now is 210.0 secs Computing kpt #: 275 total cpu time spent up to now is 210.8 secs Computing kpt #: 276 total cpu time spent up to now is 211.4 secs Computing kpt #: 277 total cpu time spent up to now is 211.9 secs Computing kpt #: 278 total cpu time spent up to now is 212.5 secs Computing kpt #: 279 total cpu time spent up to now is 213.0 secs Computing kpt #: 280 total cpu time spent up to now is 213.5 secs Computing kpt #: 281 total cpu time spent up to now is 214.3 secs Computing kpt #: 282 total cpu time spent up to now is 214.9 secs Computing kpt #: 283 total cpu time spent up to now is 215.5 secs Computing kpt #: 284 total cpu time spent up to now is 216.1 secs Computing kpt #: 285 total cpu time spent up to now is 216.7 secs Computing kpt #: 286 total cpu time spent up to now is 217.2 secs Computing kpt #: 287 total cpu time spent up to now is 217.8 secs Computing kpt #: 288 total cpu time spent up to now is 218.4 secs Computing kpt #: 289 total cpu time spent up to now is 219.0 secs Computing kpt #: 290 total cpu time spent up to now is 219.5 secs Computing kpt #: 291 total cpu time spent up to now is 220.0 secs Computing kpt #: 292 total cpu time spent up to now is 220.5 secs Computing kpt #: 293 total cpu time spent up to now is 221.0 secs Computing kpt #: 294 total cpu time spent up to now is 221.6 secs Computing kpt #: 295 total cpu time spent up to now is 222.1 secs Computing kpt #: 296 total cpu time spent up to now is 222.7 secs Computing kpt #: 297 total cpu time spent up to now is 223.5 secs Computing kpt #: 298 total cpu time spent up to now is 224.0 secs Computing kpt #: 299 total cpu time spent up to now is 224.6 secs Computing kpt #: 300 total cpu time spent up to now is 225.2 secs Computing kpt #: 301 total cpu time spent up to now is 225.6 secs Computing kpt #: 302 total cpu time spent up to now is 226.1 secs Computing kpt #: 303 total cpu time spent up to now is 226.6 secs Computing kpt #: 304 total cpu time spent up to now is 227.1 secs Computing kpt #: 305 total cpu time spent up to now is 227.6 secs Computing kpt #: 306 total cpu time spent up to now is 228.1 secs Computing kpt #: 307 total cpu time spent up to now is 228.5 secs Computing kpt #: 308 total cpu time spent up to now is 229.0 secs Computing kpt #: 309 total cpu time spent up to now is 229.6 secs Computing kpt #: 310 total cpu time spent up to now is 230.1 secs Computing kpt #: 311 total cpu time spent up to now is 230.7 secs Computing kpt #: 312 total cpu time spent up to now is 231.2 secs Computing kpt #: 313 total cpu time spent up to now is 232.0 secs Computing kpt #: 314 total cpu time spent up to now is 232.6 secs Computing kpt #: 315 total cpu time spent up to now is 233.1 secs Computing kpt #: 316 total cpu time spent up to now is 233.7 secs Computing kpt #: 317 total cpu time spent up to now is 234.2 secs Computing kpt #: 318 total cpu time spent up to now is 234.9 secs Computing kpt #: 319 total cpu time spent up to now is 235.3 secs Computing kpt #: 320 total cpu time spent up to now is 235.8 secs Computing kpt #: 321 total cpu time spent up to now is 236.3 secs Computing kpt #: 322 total cpu time spent up to now is 236.8 secs Computing kpt #: 323 total cpu time spent up to now is 237.3 secs Computing kpt #: 324 total cpu time spent up to now is 237.8 secs Computing kpt #: 325 total cpu time spent up to now is 238.3 secs Computing kpt #: 326 total cpu time spent up to now is 238.9 secs Computing kpt #: 327 total cpu time spent up to now is 239.4 secs Computing kpt #: 328 total cpu time spent up to now is 239.9 secs Computing kpt #: 329 total cpu time spent up to now is 240.5 secs Computing kpt #: 330 total cpu time spent up to now is 241.2 secs Computing kpt #: 331 total cpu time spent up to now is 241.8 secs Computing kpt #: 332 total cpu time spent up to now is 242.3 secs Computing kpt #: 333 total cpu time spent up to now is 242.9 secs Computing kpt #: 334 total cpu time spent up to now is 243.4 secs Computing kpt #: 335 total cpu time spent up to now is 243.9 secs Computing kpt #: 336 total cpu time spent up to now is 244.4 secs Computing kpt #: 337 total cpu time spent up to now is 244.9 secs Computing kpt #: 338 total cpu time spent up to now is 245.4 secs Computing kpt #: 339 total cpu time spent up to now is 246.0 secs Computing kpt #: 340 total cpu time spent up to now is 246.8 secs Computing kpt #: 341 total cpu time spent up to now is 247.3 secs Computing kpt #: 342 total cpu time spent up to now is 248.0 secs Computing kpt #: 343 total cpu time spent up to now is 248.7 secs Computing kpt #: 344 total cpu time spent up to now is 249.3 secs Computing kpt #: 345 total cpu time spent up to now is 249.7 secs Computing kpt #: 346 total cpu time spent up to now is 250.2 secs Computing kpt #: 347 total cpu time spent up to now is 251.0 secs Computing kpt #: 348 total cpu time spent up to now is 251.5 secs Computing kpt #: 349 total cpu time spent up to now is 252.0 secs Computing kpt #: 350 total cpu time spent up to now is 252.5 secs Computing kpt #: 351 total cpu time spent up to now is 252.9 secs Computing kpt #: 352 total cpu time spent up to now is 253.4 secs Computing kpt #: 353 total cpu time spent up to now is 254.2 secs Computing kpt #: 354 total cpu time spent up to now is 254.8 secs Computing kpt #: 355 total cpu time spent up to now is 255.3 secs Computing kpt #: 356 total cpu time spent up to now is 256.1 secs Computing kpt #: 357 total cpu time spent up to now is 257.0 secs Computing kpt #: 358 total cpu time spent up to now is 257.5 secs Computing kpt #: 359 total cpu time spent up to now is 258.0 secs Computing kpt #: 360 total cpu time spent up to now is 258.5 secs Computing kpt #: 361 total cpu time spent up to now is 259.0 secs Computing kpt #: 362 total cpu time spent up to now is 259.5 secs Computing kpt #: 363 total cpu time spent up to now is 260.1 secs Computing kpt #: 364 total cpu time spent up to now is 260.9 secs Computing kpt #: 365 total cpu time spent up to now is 261.7 secs Computing kpt #: 366 total cpu time spent up to now is 262.4 secs Computing kpt #: 367 total cpu time spent up to now is 263.0 secs Computing kpt #: 368 total cpu time spent up to now is 263.5 secs Computing kpt #: 369 total cpu time spent up to now is 264.1 secs Computing kpt #: 370 total cpu time spent up to now is 264.6 secs Computing kpt #: 371 total cpu time spent up to now is 265.2 secs Computing kpt #: 372 total cpu time spent up to now is 265.9 secs Computing kpt #: 373 total cpu time spent up to now is 266.6 secs Computing kpt #: 374 total cpu time spent up to now is 267.2 secs Computing kpt #: 375 total cpu time spent up to now is 267.9 secs Computing kpt #: 376 total cpu time spent up to now is 268.7 secs Computing kpt #: 377 total cpu time spent up to now is 269.3 secs Computing kpt #: 378 total cpu time spent up to now is 270.0 secs Computing kpt #: 379 total cpu time spent up to now is 270.6 secs Computing kpt #: 380 total cpu time spent up to now is 271.4 secs Computing kpt #: 381 total cpu time spent up to now is 272.1 secs Computing kpt #: 382 total cpu time spent up to now is 272.6 secs Computing kpt #: 383 total cpu time spent up to now is 273.2 secs Computing kpt #: 384 total cpu time spent up to now is 274.0 secs Computing kpt #: 385 total cpu time spent up to now is 274.6 secs Computing kpt #: 386 total cpu time spent up to now is 275.3 secs Computing kpt #: 387 total cpu time spent up to now is 276.0 secs Computing kpt #: 388 total cpu time spent up to now is 276.7 secs Computing kpt #: 389 total cpu time spent up to now is 277.4 secs Computing kpt #: 390 total cpu time spent up to now is 278.0 secs Computing kpt #: 391 total cpu time spent up to now is 278.5 secs Computing kpt #: 392 total cpu time spent up to now is 279.3 secs Computing kpt #: 393 total cpu time spent up to now is 279.9 secs Computing kpt #: 394 total cpu time spent up to now is 280.5 secs Computing kpt #: 395 total cpu time spent up to now is 281.1 secs Computing kpt #: 396 total cpu time spent up to now is 281.6 secs Computing kpt #: 397 total cpu time spent up to now is 282.2 secs Computing kpt #: 398 total cpu time spent up to now is 282.7 secs Computing kpt #: 399 total cpu time spent up to now is 283.3 secs Computing kpt #: 400 total cpu time spent up to now is 284.4 secs Computing kpt #: 401 total cpu time spent up to now is 284.9 secs Computing kpt #: 402 total cpu time spent up to now is 285.5 secs Computing kpt #: 403 total cpu time spent up to now is 286.1 secs Computing kpt #: 404 total cpu time spent up to now is 286.7 secs Computing kpt #: 405 total cpu time spent up to now is 287.6 secs Computing kpt #: 406 total cpu time spent up to now is 288.2 secs Computing kpt #: 407 total cpu time spent up to now is 288.7 secs Computing kpt #: 408 total cpu time spent up to now is 289.2 secs Computing kpt #: 409 total cpu time spent up to now is 289.8 secs Computing kpt #: 410 total cpu time spent up to now is 290.4 secs Computing kpt #: 411 total cpu time spent up to now is 291.0 secs Computing kpt #: 412 total cpu time spent up to now is 291.7 secs Computing kpt #: 413 total cpu time spent up to now is 292.4 secs Computing kpt #: 414 total cpu time spent up to now is 293.2 secs Computing kpt #: 415 total cpu time spent up to now is 294.1 secs Computing kpt #: 416 total cpu time spent up to now is 294.7 secs Computing kpt #: 417 total cpu time spent up to now is 295.5 secs Computing kpt #: 418 total cpu time spent up to now is 296.1 secs Computing kpt #: 419 total cpu time spent up to now is 296.6 secs Computing kpt #: 420 total cpu time spent up to now is 297.2 secs Computing kpt #: 421 total cpu time spent up to now is 297.7 secs Computing kpt #: 422 total cpu time spent up to now is 298.2 secs Computing kpt #: 423 total cpu time spent up to now is 298.8 secs Computing kpt #: 424 total cpu time spent up to now is 299.7 secs Computing kpt #: 425 total cpu time spent up to now is 300.3 secs Computing kpt #: 426 total cpu time spent up to now is 300.9 secs Computing kpt #: 427 total cpu time spent up to now is 301.6 secs Computing kpt #: 428 total cpu time spent up to now is 302.4 secs Computing kpt #: 429 total cpu time spent up to now is 303.1 secs Computing kpt #: 430 total cpu time spent up to now is 303.6 secs Computing kpt #: 431 total cpu time spent up to now is 304.1 secs Computing kpt #: 432 total cpu time spent up to now is 304.6 secs Computing kpt #: 433 total cpu time spent up to now is 305.1 secs Computing kpt #: 434 total cpu time spent up to now is 305.8 secs Computing kpt #: 435 total cpu time spent up to now is 306.3 secs Computing kpt #: 436 total cpu time spent up to now is 306.8 secs Computing kpt #: 437 total cpu time spent up to now is 307.6 secs Computing kpt #: 438 total cpu time spent up to now is 308.1 secs Computing kpt #: 439 total cpu time spent up to now is 308.7 secs Computing kpt #: 440 total cpu time spent up to now is 309.2 secs Computing kpt #: 441 total cpu time spent up to now is 310.0 secs Computing kpt #: 442 total cpu time spent up to now is 310.5 secs Computing kpt #: 443 total cpu time spent up to now is 311.3 secs Computing kpt #: 444 total cpu time spent up to now is 311.9 secs Computing kpt #: 445 total cpu time spent up to now is 312.6 secs Computing kpt #: 446 total cpu time spent up to now is 313.1 secs Computing kpt #: 447 total cpu time spent up to now is 313.6 secs Computing kpt #: 448 total cpu time spent up to now is 314.1 secs Computing kpt #: 449 total cpu time spent up to now is 314.6 secs Computing kpt #: 450 total cpu time spent up to now is 315.1 secs Computing kpt #: 451 total cpu time spent up to now is 315.6 secs Computing kpt #: 452 total cpu time spent up to now is 316.2 secs Computing kpt #: 453 total cpu time spent up to now is 316.9 secs Computing kpt #: 454 total cpu time spent up to now is 317.5 secs Computing kpt #: 455 total cpu time spent up to now is 318.0 secs Computing kpt #: 456 total cpu time spent up to now is 318.8 secs Computing kpt #: 457 total cpu time spent up to now is 319.5 secs Computing kpt #: 458 total cpu time spent up to now is 320.2 secs Computing kpt #: 459 total cpu time spent up to now is 320.7 secs Computing kpt #: 460 total cpu time spent up to now is 321.2 secs Computing kpt #: 461 total cpu time spent up to now is 321.7 secs Computing kpt #: 462 total cpu time spent up to now is 322.3 secs Computing kpt #: 463 total cpu time spent up to now is 322.7 secs Computing kpt #: 464 total cpu time spent up to now is 323.3 secs Computing kpt #: 465 total cpu time spent up to now is 323.8 secs Computing kpt #: 466 total cpu time spent up to now is 324.5 secs Computing kpt #: 467 total cpu time spent up to now is 325.0 secs Computing kpt #: 468 total cpu time spent up to now is 325.6 secs Computing kpt #: 469 total cpu time spent up to now is 326.1 secs Computing kpt #: 470 total cpu time spent up to now is 326.7 secs Computing kpt #: 471 total cpu time spent up to now is 327.3 secs Computing kpt #: 472 total cpu time spent up to now is 327.8 secs Computing kpt #: 473 total cpu time spent up to now is 328.6 secs Computing kpt #: 474 total cpu time spent up to now is 329.1 secs Computing kpt #: 475 total cpu time spent up to now is 329.6 secs Computing kpt #: 476 total cpu time spent up to now is 330.1 secs Computing kpt #: 477 total cpu time spent up to now is 330.6 secs Computing kpt #: 478 total cpu time spent up to now is 331.1 secs Computing kpt #: 479 total cpu time spent up to now is 331.6 secs Computing kpt #: 480 total cpu time spent up to now is 332.3 secs Computing kpt #: 481 total cpu time spent up to now is 333.1 secs Computing kpt #: 482 total cpu time spent up to now is 333.8 secs Computing kpt #: 483 total cpu time spent up to now is 334.3 secs Computing kpt #: 484 total cpu time spent up to now is 334.8 secs Computing kpt #: 485 total cpu time spent up to now is 335.3 secs Computing kpt #: 486 total cpu time spent up to now is 335.8 secs Computing kpt #: 487 total cpu time spent up to now is 336.4 secs Computing kpt #: 488 total cpu time spent up to now is 336.9 secs Computing kpt #: 489 total cpu time spent up to now is 337.4 secs Computing kpt #: 490 total cpu time spent up to now is 338.0 secs Computing kpt #: 491 total cpu time spent up to now is 338.6 secs Computing kpt #: 492 total cpu time spent up to now is 339.1 secs Computing kpt #: 493 total cpu time spent up to now is 339.8 secs Computing kpt #: 494 total cpu time spent up to now is 340.5 secs Computing kpt #: 495 total cpu time spent up to now is 341.2 secs Computing kpt #: 496 total cpu time spent up to now is 342.0 secs Computing kpt #: 497 total cpu time spent up to now is 342.8 secs Computing kpt #: 498 total cpu time spent up to now is 343.4 secs Computing kpt #: 499 total cpu time spent up to now is 344.0 secs Computing kpt #: 500 total cpu time spent up to now is 344.6 secs Computing kpt #: 501 total cpu time spent up to now is 345.2 secs Computing kpt #: 502 total cpu time spent up to now is 345.8 secs Computing kpt #: 503 total cpu time spent up to now is 346.4 secs Computing kpt #: 504 total cpu time spent up to now is 347.3 secs Computing kpt #: 505 total cpu time spent up to now is 347.9 secs Computing kpt #: 506 total cpu time spent up to now is 348.6 secs ethr = 3.57E-11, avg # of iterations = 18.4 total cpu time spent up to now is 348.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.4125 -29.4125 -10.3688 -10.3688 -8.9447 -8.9447 -8.9259 -8.9259 -2.2765 -2.2765 4.6201 4.6201 6.7325 6.7325 8.3574 8.3574 9.5356 9.5356 9.9192 9.9192 11.1331 11.1331 11.2924 11.2924 11.4325 11.4325 12.4358 12.4358 13.8488 13.8488 14.0008 14.0008 14.6054 14.6054 16.7822 16.7822 k = 0.0071 0.0095-0.0000 ( 1719 PWs) bands (ev): -29.4125 -29.4125 -10.3693 -10.3685 -8.9456 -8.9442 -8.9260 -8.9258 -2.2760 -2.2754 4.6170 4.6181 6.7352 6.7361 8.3574 8.3586 9.5340 9.5344 9.9201 9.9201 11.1330 11.1348 11.2871 11.2896 11.4318 11.4323 12.4289 12.4397 13.8430 13.8453 14.0053 14.0156 14.6059 14.6069 16.7786 16.7836 k = 0.0142 0.0189-0.0000 ( 1719 PWs) bands (ev): -29.4124 -29.4124 -10.3699 -10.3685 -8.9468 -8.9441 -8.9263 -8.9259 -2.2738 -2.2726 4.6086 4.6108 6.7440 6.7458 8.3587 8.3610 9.5296 9.5304 9.9227 9.9227 11.1345 11.1383 11.2739 11.2786 11.4303 11.4314 12.4191 12.4406 13.8321 13.8344 14.0276 14.0457 14.6084 14.6103 16.7730 16.7830 k = 0.0213 0.0284-0.0000 ( 1719 PWs) bands (ev): -29.4123 -29.4123 -10.3707 -10.3685 -8.9485 -8.9444 -8.9266 -8.9260 -2.2701 -2.2682 4.5953 4.5985 6.7587 6.7615 8.3612 8.3645 9.5223 9.5235 9.9270 9.9271 11.1371 11.1436 11.2532 11.2596 11.4279 11.4298 12.4068 12.4384 13.8211 13.8216 14.0619 14.0857 14.6128 14.6156 16.7655 16.7804 k = 0.0284 0.0379-0.0000 ( 1723 PWs) bands (ev): -29.4122 -29.4122 -10.3718 -10.3688 -8.9505 -8.9450 -8.9271 -8.9262 -2.2647 -2.2622 4.5774 4.5814 6.7790 6.7826 8.3648 8.3693 9.5124 9.5139 9.9331 9.9331 11.1399 11.1505 11.2263 11.2327 11.4248 11.4276 12.3923 12.4333 13.8105 13.8126 14.1040 14.1322 14.6188 14.6224 16.7565 16.7759 k = 0.0355 0.0474-0.0000 ( 1725 PWs) bands (ev): -29.4121 -29.4121 -10.3729 -10.3693 -8.9530 -8.9460 -8.9277 -8.9265 -2.2577 -2.2546 4.5552 4.5601 6.8045 6.8088 8.3696 8.3753 9.4997 9.5016 9.9407 9.9408 11.1395 11.1592 11.1972 11.1985 11.4211 11.4251 12.3761 12.4256 13.8029 13.8077 14.1515 14.1833 14.6260 14.6304 16.7462 16.7699 k = 0.0426 0.0568-0.0000 ( 1725 PWs) bands (ev): -29.4119 -29.4119 -10.3743 -10.3699 -8.9558 -8.9473 -8.9285 -8.9268 -2.2492 -2.2454 4.5293 4.5349 6.8346 6.8394 8.3756 8.3823 9.4844 9.4868 9.9500 9.9500 11.1220 11.1558 11.1712 11.1798 11.4169 11.4225 12.3588 12.4158 13.7994 13.8070 14.2030 14.2378 14.6341 14.6390 16.7351 16.7626 k = 0.0497 0.0663-0.0000 ( 1717 PWs) bands (ev): -29.4117 -29.4117 -10.3758 -10.3707 -8.9590 -8.9489 -8.9293 -8.9272 -2.2392 -2.2347 4.5002 4.5063 6.8686 6.8740 8.3827 8.3904 9.4666 9.4694 9.9607 9.9608 11.0816 11.1090 11.1808 11.1829 11.4123 11.4200 12.3406 12.4043 13.8004 13.8104 14.2574 14.2948 14.6424 14.6478 16.7238 16.7545 k = 0.0568 0.0758-0.0000 ( 1717 PWs) bands (ev): -29.4114 -29.4114 -10.3775 -10.3717 -8.9626 -8.9508 -8.9303 -8.9276 -2.2277 -2.2225 4.4684 4.4750 6.9060 6.9118 8.3907 8.3995 9.4464 9.4496 9.9727 9.9729 11.0302 11.0560 11.1884 11.1967 11.4074 11.4179 12.3218 12.3911 13.8056 13.8177 14.3139 14.3536 14.6504 14.6560 16.7128 16.7462 k = 0.0639 0.0853-0.0000 ( 1717 PWs) bands (ev): -29.4112 -29.4112 -10.3794 -10.3728 -8.9666 -8.9531 -8.9313 -8.9282 -2.2147 -2.2088 4.4344 4.4413 6.9462 6.9522 8.3996 8.4095 9.4239 9.4275 9.9859 9.9863 10.9729 10.9983 11.1982 11.2121 11.4025 11.4167 12.3026 12.3768 13.8148 13.8288 14.3718 14.4135 14.6575 14.6631 16.7028 16.7384 k = 0.0710 0.0947-0.0000 ( 1717 PWs) bands (ev): -29.4109 -29.4109 -10.3814 -10.3741 -8.9709 -8.9557 -8.9325 -8.9287 -2.2004 -2.1937 4.3988 4.4058 6.9883 6.9946 8.4093 8.4202 9.3992 9.4032 10.0001 10.0007 10.9117 10.9368 11.2087 11.2287 11.3979 11.4168 12.2834 12.3616 13.8278 13.8433 14.4307 14.4739 14.6629 14.6682 16.6946 16.7316 k = 0.0781 0.1042-0.0000 ( 1721 PWs) bands (ev): -29.4105 -29.4105 -10.3836 -10.3756 -8.9755 -8.9586 -8.9337 -8.9293 -2.1847 -2.1773 4.3619 4.3689 7.0320 7.0383 8.4196 8.4315 9.3725 9.3769 10.0151 10.0158 10.8477 10.8727 11.2192 11.2462 11.3940 11.4189 12.2642 12.3457 13.8442 13.8610 14.4899 14.5345 14.6658 14.6706 16.6890 16.7266 k = 0.0851 0.1137-0.0000 ( 1725 PWs) bands (ev): -29.4102 -29.4102 -10.3859 -10.3772 -8.9804 -8.9618 -8.9350 -8.9300 -2.1678 -2.1596 4.3243 4.3313 7.0765 7.0828 8.4303 8.4432 9.3440 9.3488 10.0305 10.0315 10.7823 10.8070 11.2287 11.2639 11.3915 11.4237 12.2450 12.3292 13.8637 13.8815 14.5490 14.5948 14.6657 14.6695 16.6868 16.7243 k = 0.0922 0.1231-0.0000 ( 1729 PWs) bands (ev): -29.4098 -29.4098 -10.3884 -10.3790 -8.9855 -8.9652 -8.9363 -8.9307 -2.1497 -2.1406 4.2863 4.2931 7.1212 7.1276 8.4410 8.4551 9.3138 9.3190 10.0458 10.0473 10.7168 10.7411 11.2368 11.2806 11.3915 11.4317 12.2260 12.3124 13.8861 13.9047 14.6072 14.6535 14.6623 14.6653 16.6887 16.7252 k = 0.0993 0.1326-0.0000 ( 1723 PWs) bands (ev): -29.4094 -29.4094 -10.3909 -10.3809 -8.9910 -8.9690 -8.9376 -8.9315 -2.1305 -2.1205 4.2484 4.2549 7.1658 7.1721 8.4517 8.4667 9.2820 9.2876 10.0607 10.0626 10.6527 10.6765 11.2430 11.2948 11.3960 11.4435 12.2072 12.2954 13.9110 13.9301 14.6482 14.6540 14.6711 14.7137 16.6954 16.7299 k = 0.1064 0.1421-0.0000 ( 1723 PWs) bands (ev): -29.4090 -29.4090 -10.3936 -10.3829 -8.9966 -8.9730 -8.9390 -8.9323 -2.1102 -2.0994 4.2108 4.2169 7.2096 7.2157 8.4617 8.4777 9.2488 9.2548 10.0739 10.0765 10.5917 10.6148 11.2468 11.3042 11.4068 11.4593 12.1885 12.2780 13.9381 13.9577 14.6379 14.6390 14.7253 14.7712 16.7074 16.7388 k = 0.1135 0.1516-0.0000 ( 1731 PWs) bands (ev): -29.4085 -29.4085 -10.3964 -10.3851 -9.0025 -8.9772 -8.9405 -8.9332 -2.0890 -2.0772 4.1738 4.1794 7.2522 7.2582 8.4705 8.4876 9.2145 9.2208 10.0845 10.0878 10.5359 10.5580 11.2484 11.3084 11.4245 11.4789 12.1697 12.2603 13.9673 13.9871 14.6184 14.6194 14.7810 14.8274 16.7252 16.7514 k = 0.1206 0.1610-0.0000 ( 1727 PWs) bands (ev): -29.4081 -29.4080 -10.3994 -10.3873 -9.0086 -8.9817 -8.9419 -8.9340 -2.0668 -2.0541 4.1379 4.1429 7.2933 7.2990 8.4777 8.4958 9.1791 9.1858 10.0909 10.0952 10.4879 10.5087 11.2482 11.3084 11.4482 11.5023 12.1508 12.2423 13.9984 14.0182 14.5922 14.5953 14.8356 14.8820 16.7490 16.7661 k = 0.1277 0.1705-0.0000 ( 1719 PWs) bands (ev): -29.4076 -29.4076 -10.4024 -10.3897 -9.0148 -8.9864 -8.9433 -8.9349 -2.0439 -2.0302 4.1032 4.1074 7.3323 7.3378 8.4825 8.5018 9.1428 9.1499 10.0913 10.0969 10.4502 10.4695 11.2464 11.3057 11.4762 11.5290 12.1319 12.2240 14.0312 14.0510 14.5605 14.5657 14.8887 14.9348 16.7768 16.7789 k = 0.1348 0.1800-0.0000 ( 1719 PWs) bands (ev): -29.4070 -29.4070 -10.4055 -10.3921 -9.0212 -8.9913 -8.9448 -8.9359 -2.0203 -2.0055 4.0698 4.0734 7.3690 7.3741 8.4842 8.5048 9.1058 9.1132 10.0848 10.0917 10.4250 10.4424 11.2432 11.3013 11.5073 11.5585 12.1125 12.2051 14.0655 14.0851 14.5235 14.5308 14.9400 14.9855 16.7764 16.8148 k = 0.1419 0.1895-0.0000 ( 1719 PWs) bands (ev): -29.4065 -29.4065 -10.4086 -10.3947 -9.0277 -8.9963 -8.9462 -8.9368 -1.9960 -1.9802 4.0382 4.0409 7.4029 7.4077 8.4822 8.5041 9.0683 9.0760 10.0717 10.0798 10.4124 10.4282 11.2390 11.2959 11.5411 11.5907 12.0926 12.1855 14.1012 14.1206 14.4816 14.4909 14.9892 15.0340 16.7675 16.8406 k = 0.1490 0.1989-0.0000 ( 1723 PWs) bands (ev): -29.4060 -29.4060 -10.4119 -10.3973 -9.0344 -9.0015 -8.9476 -8.9378 -1.9712 -1.9543 4.0084 4.0101 7.4338 7.4382 8.4759 8.4991 9.0303 9.0383 10.0547 10.0634 10.4110 10.4255 11.2338 11.2895 11.5770 11.6253 12.0721 12.1651 14.1383 14.1573 14.4352 14.4464 15.0363 15.0802 16.7547 16.8258 k = 0.1561 0.2084-0.0000 ( 1727 PWs) bands (ev): -29.4054 -29.4054 -10.4152 -10.4001 -9.0411 -9.0069 -8.9491 -8.9388 -1.9460 -1.9280 3.9806 3.9813 7.4614 7.4653 8.4646 8.4893 8.9921 9.0004 10.0369 10.0458 10.4179 10.4317 11.2279 11.2826 11.6149 11.6620 12.0507 12.1438 14.1765 14.1952 14.3848 14.3978 15.0810 15.1237 16.7395 16.8099 k = 0.1632 0.2179-0.0000 ( 1727 PWs) bands (ev): -29.4048 -29.4048 -10.4185 -10.4029 -9.0479 -9.0124 -8.9504 -8.9398 -1.9204 -1.9013 3.9547 3.9550 7.4853 7.4887 8.4482 8.4745 8.9537 8.9623 10.0215 10.0300 10.4308 10.4443 11.2213 11.2751 11.6547 11.7007 12.0284 12.1214 14.2160 14.2342 14.3311 14.3457 15.1231 15.1646 16.7223 16.7928 k = 0.1703 0.2274-0.0000 ( 1723 PWs) bands (ev): -29.4043 -29.4042 -10.4219 -10.4057 -9.0547 -9.0179 -8.9518 -8.9407 -1.8946 -1.8744 3.9303 3.9318 7.5051 7.5080 8.4267 8.4545 8.9154 8.9242 10.0106 10.0184 10.4475 10.4610 11.2140 11.2671 11.6961 11.7414 12.0049 12.0978 14.2564 14.2736 14.2753 14.2907 15.1626 15.2027 16.7030 16.7740 k = 0.1774 0.2368-0.0000 ( 1719 PWs) bands (ev): -29.4037 -29.4036 -10.4253 -10.4086 -9.0615 -9.0236 -8.9531 -8.9417 -1.8686 -1.8472 3.9084 3.9111 7.5205 7.5228 8.4005 8.4299 8.8772 8.8862 10.0054 10.0123 10.4666 10.4804 11.2061 11.2585 11.7393 11.7840 11.9800 12.0727 14.2160 14.2330 14.2984 14.3154 15.1991 15.2378 16.6816 16.7530 k = 0.1845 0.2463-0.0000 ( 1727 PWs) bands (ev): -29.4031 -29.4030 -10.4287 -10.4115 -9.0684 -9.0293 -8.9544 -8.9426 -1.8426 -1.8201 3.8890 3.8929 7.5308 7.5326 8.3702 8.4011 8.8393 8.8484 10.0064 10.0123 10.4872 10.5015 11.1973 11.2491 11.7837 11.8281 11.9535 12.0459 14.1557 14.1738 14.3410 14.3574 15.2327 15.2699 16.6580 16.7299 k = 0.1916 0.2558-0.0000 ( 1731 PWs) bands (ev): -29.4025 -29.4024 -10.4322 -10.4145 -9.0752 -9.0351 -8.9557 -8.9436 -1.8166 -1.7929 3.8723 3.8774 7.5356 7.5368 8.3370 8.3694 8.8018 8.8110 10.0135 10.0183 10.5087 10.5236 11.1877 11.2389 11.8295 11.8737 11.9254 12.0174 14.0945 14.1133 14.3846 14.4003 15.2631 15.2988 16.6323 16.7044 k = 0.1987 0.2652-0.0000 ( 1729 PWs) bands (ev): -29.4018 -29.4018 -10.4356 -10.4175 -9.0820 -9.0409 -8.9568 -8.9445 -1.7908 -1.7659 3.8584 3.8648 7.5343 7.5349 8.3022 8.3359 8.7647 8.7741 10.0263 10.0302 10.5308 10.5463 11.1773 11.2279 11.8750 11.8971 11.9208 11.9872 14.0329 14.0522 14.4291 14.4442 15.2905 15.3246 16.6048 16.6770 k = 0.2058 0.2747-0.0000 ( 1733 PWs) bands (ev): -29.4012 -29.4012 -10.4390 -10.4205 -9.0888 -9.0468 -8.9579 -8.9454 -1.7651 -1.7391 3.8473 3.8551 7.5262 7.5263 8.2671 8.3019 8.7282 8.7377 10.0440 10.0470 10.5530 10.5691 11.1658 11.2159 11.8616 11.9270 11.9519 11.9721 13.9713 13.9910 14.4745 14.4888 15.3146 15.3474 16.5760 16.6479 k = 0.2129 0.2842-0.0000 ( 1737 PWs) bands (ev): -29.4006 -29.4006 -10.4424 -10.4235 -9.0954 -9.0526 -8.9590 -8.9462 -1.7398 -1.7126 3.8392 3.8484 7.5106 7.5108 8.2331 8.2687 8.6924 8.7019 10.0659 10.0683 10.5751 10.5919 11.1534 11.2028 11.8274 11.9186 11.9765 12.0207 13.9104 13.9301 14.5206 14.5342 15.3356 15.3672 16.5465 16.6179 k = 0.2200 0.2937-0.0000 ( 1741 PWs) bands (ev): -29.4000 -29.4000 -10.4458 -10.4265 -9.1020 -9.0585 -8.9600 -8.9470 -1.7148 -1.6865 3.8342 3.8447 7.4874 7.4877 8.2013 8.2374 8.6574 8.6670 10.0911 10.0930 10.5972 10.6146 11.1397 11.1885 11.7906 11.8816 12.0275 12.0719 13.8506 13.8700 14.5673 14.5801 15.3537 15.3842 16.5171 16.5875 k = 0.2271 0.3031-0.0000 ( 1745 PWs) bands (ev): -29.3993 -29.3993 -10.4491 -10.4296 -9.1085 -9.0644 -8.9609 -8.9478 -1.6903 -1.6609 3.8322 3.8442 7.4566 7.4567 8.1726 8.2089 8.6232 8.6328 10.1186 10.1203 10.6194 10.6372 11.1248 11.1728 11.7514 11.8421 12.0795 12.1243 13.7924 13.8114 14.6144 14.6264 15.3691 15.3988 16.4884 16.5576 k = 0.2342 0.3126-0.0000 ( 1749 PWs) bands (ev): -29.3987 -29.3987 -10.4524 -10.4326 -9.1149 -9.0702 -8.9618 -8.9485 -1.6663 -1.6359 3.8335 3.8468 7.4182 7.4185 8.1475 8.1834 8.5900 8.5996 10.1474 10.1493 10.6415 10.6597 11.1085 11.1557 11.7098 11.8003 12.1323 12.1777 13.7363 13.7546 14.6617 14.6728 15.3821 15.4113 16.4610 16.5287 k = 0.2413 0.3221-0.0000 ( 1745 PWs) bands (ev): -29.3981 -29.3981 -10.4556 -10.4356 -9.1212 -9.0760 -8.9625 -8.9492 -1.6429 -1.6115 3.8379 3.8527 7.3729 7.3738 8.1258 8.1612 8.5577 8.5674 10.1767 10.1790 10.6639 10.6824 11.0908 11.1371 11.6659 11.7563 12.1858 12.2320 13.6828 13.7000 14.7089 14.7191 15.3934 15.4224 16.4356 16.5014 k = 0.2484 0.3316-0.0000 ( 1741 PWs) bands (ev): -29.3975 -29.3975 -10.4588 -10.4385 -9.1273 -9.0818 -8.9632 -8.9498 -1.6201 -1.5878 3.8457 3.8618 7.3215 7.3232 8.1071 8.1417 8.5266 8.5363 10.2055 10.2086 10.6866 10.7053 11.0718 11.1169 11.6197 11.7101 12.2399 12.2869 13.6325 13.6483 14.7554 14.7648 15.4036 15.4326 16.4123 16.4760 k = 0.2554 0.3410-0.0000 ( 1733 PWs) bands (ev): -29.3969 -29.3968 -10.4619 -10.4415 -9.1332 -9.0874 -8.9638 -8.9504 -1.5980 -1.5648 3.8567 3.8741 7.2652 7.2677 8.0910 8.1246 8.4966 8.5063 10.2328 10.2371 10.7099 10.7287 11.0512 11.0952 11.5715 11.6621 12.2940 12.3422 13.5857 13.5999 14.8008 14.8094 15.4136 15.4429 16.3915 16.4529 k = 0.2625 0.3505-0.0000 ( 1725 PWs) bands (ev): -29.3963 -29.3962 -10.4649 -10.4444 -9.1390 -9.0931 -8.9642 -8.9509 -1.5767 -1.5427 3.8710 3.8897 7.2049 7.2082 8.0767 8.1093 8.4677 8.4774 10.2579 10.2637 10.7340 10.7531 11.0291 11.0716 11.5214 11.6125 12.3479 12.3974 13.5432 13.5554 14.8443 14.8522 15.4244 15.4540 16.3732 16.4322 k = 0.2696 0.3600-0.0000 ( 1721 PWs) bands (ev): -29.3957 -29.3956 -10.4678 -10.4473 -9.1446 -9.0986 -8.9647 -8.9514 -1.5562 -1.5215 3.8885 3.9086 7.1416 7.1457 8.0635 8.0950 8.4400 8.4497 10.2800 10.2876 10.7588 10.7785 11.0056 11.0464 11.4696 11.5616 12.4011 12.4521 13.5054 13.5153 14.8852 14.8927 15.4370 15.4671 16.3574 16.4138 k = 0.2767 0.3694-0.0000 ( 1721 PWs) bands (ev): -29.3951 -29.3950 -10.4707 -10.4501 -9.1500 -9.1041 -8.9650 -8.9518 -1.5365 -1.5011 3.9094 3.9307 7.0761 7.0810 8.0509 8.0812 8.4136 8.4233 10.2983 10.3079 10.7842 10.8051 10.9809 11.0196 11.4167 11.5100 12.4530 12.5057 13.4731 13.4803 14.9225 14.9298 15.4528 15.4830 16.3440 16.3978 k = 0.2838 0.3789-0.0000 ( 1721 PWs) bands (ev): -29.3945 -29.3945 -10.4735 -10.4529 -9.1552 -9.1095 -8.9652 -8.9522 -1.5177 -1.4818 3.9335 3.9560 7.0093 7.0148 8.0383 8.0675 8.3884 8.3981 10.3126 10.3242 10.8092 10.8328 10.9557 10.9915 11.3631 11.4584 12.5029 12.5574 13.4470 13.4513 14.9556 14.9631 15.4726 15.5028 16.3329 16.3842 k = 0.2909 0.3884-0.0000 ( 1717 PWs) bands (ev): -29.3939 -29.3939 -10.4761 -10.4557 -9.1603 -9.1148 -8.9654 -8.9525 -1.4997 -1.4634 3.9609 3.9845 6.9417 6.9478 8.0254 8.0534 8.3645 8.3742 10.3225 10.3360 10.8310 10.8605 10.9324 10.9631 11.3095 11.4079 12.5501 12.6064 13.4279 13.4292 14.9837 14.9920 15.4973 15.5271 16.3240 16.3728 k = 0.2980 0.3979-0.0000 ( 1717 PWs) bands (ev): -29.3934 -29.3933 -10.4787 -10.4584 -9.1651 -9.1200 -8.9655 -8.9528 -1.4826 -1.4460 3.9914 4.0162 6.8739 6.8804 8.0116 8.0384 8.3420 8.3515 10.3279 10.3431 10.8417 10.8827 10.9178 10.9392 11.2570 11.3596 12.5936 12.6515 13.4152 13.4168 15.0068 15.0162 15.5272 15.5561 16.3172 16.3635 k = 0.3051 0.4073-0.0000 ( 1717 PWs) bands (ev): -29.3928 -29.3928 -10.4812 -10.4610 -9.1697 -9.1250 -8.9655 -8.9530 -1.4665 -1.4296 4.0251 4.0508 6.8063 6.8131 7.9966 8.0223 8.3207 8.3302 10.3288 10.3453 10.8306 10.8775 10.9206 10.9401 11.2075 11.3159 12.6325 12.6916 13.4102 13.4146 15.0252 15.0361 15.5620 15.5894 16.3123 16.3565 k = 0.3122 0.4168-0.0000 ( 1709 PWs) bands (ev): -29.3923 -29.3922 -10.4836 -10.4636 -9.1741 -9.1300 -8.9654 -8.9531 -1.4512 -1.4142 4.0618 4.0885 6.7393 6.7464 7.9803 8.0047 8.3008 8.3102 10.3255 10.3428 10.8044 10.8488 10.9313 10.9585 11.1653 11.2799 12.6660 12.7257 13.4154 13.4219 15.0393 15.0521 15.6008 15.6265 16.3095 16.3517 k = 0.3193 0.4263-0.0000 ( 1711 PWs) bands (ev): -29.3918 -29.3917 -10.4859 -10.4661 -9.1783 -9.1348 -8.9652 -8.9532 -1.4368 -1.3998 4.1015 4.1290 6.6731 6.6804 7.9622 7.9854 8.2823 8.2916 10.3182 10.3357 10.7721 10.8144 10.9367 10.9676 11.1391 11.2558 12.6936 12.7530 13.4313 13.4391 15.0501 15.0648 15.6426 15.6661 16.3089 16.3494 k = 0.3264 0.4358-0.0000 ( 1711 PWs) bands (ev): -29.3913 -29.3912 -10.4880 -10.4686 -9.1822 -9.1396 -8.9650 -8.9533 -1.4233 -1.3864 4.1440 4.1723 6.6082 6.6156 7.9422 7.9640 8.2650 8.2742 10.3071 10.3243 10.7370 10.7779 10.9302 10.9539 11.1390 11.2474 12.7151 12.7733 13.4579 13.4661 15.0585 15.0752 15.6860 15.7070 16.3106 16.3499 k = 0.3335 0.4452-0.0000 ( 1709 PWs) bands (ev): -29.3908 -29.3907 -10.4901 -10.4711 -9.1859 -9.1442 -8.9647 -8.9533 -1.4106 -1.3740 4.1894 4.2183 6.5446 6.5521 7.9200 7.9406 8.2491 8.2581 10.2927 10.3091 10.7001 10.7403 10.9105 10.9210 11.1612 11.2550 12.7312 12.7872 13.4945 13.5023 15.0653 15.0838 15.7295 15.7478 16.3152 16.3535 k = 0.3406 0.4547-0.0000 ( 1709 PWs) bands (ev): -29.3903 -29.3903 -10.4921 -10.4734 -9.1894 -9.1486 -8.9643 -8.9533 -1.3988 -1.3626 4.2373 4.2668 6.4827 6.4901 7.8956 7.9148 8.2344 8.2433 10.2753 10.2903 10.6621 10.7019 10.8795 10.8806 11.1945 11.2751 12.7424 12.7956 13.5400 13.5467 15.0711 15.0914 15.7718 15.7871 16.3230 16.3608 k = 0.3477 0.4642-0.0000 ( 1709 PWs) bands (ev): -29.3898 -29.3898 -10.4939 -10.4757 -9.1927 -9.1530 -8.9639 -8.9532 -1.3878 -1.3521 4.2877 4.3178 6.4226 6.4299 7.8687 7.8865 8.2211 8.2298 10.2553 10.2685 10.6233 10.6630 10.8355 10.8447 11.2329 11.3035 12.7497 12.7997 13.5928 13.5981 15.0765 15.0986 15.8112 15.8233 16.3347 16.3724 k = 0.3548 0.4737-0.0000 ( 1709 PWs) bands (ev): -29.3894 -29.3894 -10.4956 -10.4779 -9.1957 -9.1572 -8.9634 -8.9532 -1.3775 -1.3425 4.3405 4.3709 6.3644 6.3716 7.8393 7.8556 8.2089 8.2174 10.2331 10.2441 10.5841 10.6239 10.7916 10.8059 11.2735 11.3369 12.7541 12.8007 13.6516 13.6554 15.0821 15.1057 15.8466 15.8553 16.3508 16.3887 k = 0.3619 0.4831-0.0000 ( 1709 PWs) bands (ev): -29.3890 -29.3890 -10.4973 -10.4801 -9.1985 -9.1613 -8.9629 -8.9530 -1.3680 -1.3338 4.3955 4.4262 6.3083 6.3153 7.8072 7.8221 8.1980 8.2063 10.2091 10.2176 10.5448 10.5846 10.7490 10.7662 11.3153 11.3732 12.7562 12.7995 13.7152 13.7174 15.0881 15.1131 15.8768 15.8822 16.3717 16.4099 k = 0.3690 0.4926-0.0000 ( 1705 PWs) bands (ev): -29.3886 -29.3886 -10.4988 -10.4822 -9.2011 -9.1652 -8.9623 -8.9529 -1.3593 -1.3260 4.4524 4.4833 6.2545 6.2612 7.7726 7.7860 8.1882 8.1963 10.1838 10.1898 10.5057 10.5454 10.7081 10.7269 11.3573 11.4109 12.7570 12.7969 13.7823 13.7830 15.0948 15.1210 15.9013 15.9033 16.3974 16.4359 k = 0.3761 0.5021-0.0000 ( 1701 PWs) bands (ev): -29.3882 -29.3882 -10.5002 -10.4842 -9.2034 -9.1689 -8.9617 -8.9527 -1.3512 -1.3189 4.5111 4.5420 6.2029 6.2093 7.7354 7.7472 8.1796 8.1874 10.1577 10.1612 10.4670 10.5065 10.6694 10.6885 11.3991 11.4491 12.7568 12.7935 13.8515 13.8521 15.1024 15.1296 15.9188 15.9198 16.4274 16.4661 k = 0.3832 0.5115-0.0000 ( 1701 PWs) bands (ev): -29.3878 -29.3878 -10.5015 -10.4862 -9.2055 -9.1726 -8.9611 -8.9526 -1.3438 -1.3126 4.5713 4.6021 6.1538 6.1598 7.6956 7.7058 8.1720 8.1796 10.1312 10.1323 10.4291 10.4681 10.6328 10.6516 11.4403 11.4871 12.7559 12.7897 13.9220 13.9238 15.1110 15.1390 15.9290 15.9327 16.4609 16.4995 k = 0.3903 0.5210-0.0000 ( 1701 PWs) bands (ev): -29.3875 -29.3875 -10.5026 -10.4881 -9.2074 -9.1761 -8.9604 -8.9524 -1.3369 -1.3070 4.6327 4.6634 6.1071 6.1128 7.6534 7.6620 8.1655 8.1728 10.1037 10.1048 10.3921 10.4302 10.5984 10.6163 11.4805 11.5245 12.7548 12.7858 13.9940 13.9967 15.1206 15.1493 15.9345 15.9405 16.4968 16.5351 k = 0.3903 0.5210-0.0000 ( 1701 PWs) bands (ev): -29.3875 -29.3875 -10.5026 -10.4881 -9.2074 -9.1761 -8.9604 -8.9524 -1.3369 -1.3070 4.6327 4.6634 6.1071 6.1128 7.6534 7.6620 8.1655 8.1728 10.1037 10.1048 10.3921 10.4302 10.5984 10.6163 11.4805 11.5245 12.7548 12.7858 13.9940 13.9967 15.1206 15.1493 15.9345 15.9405 16.4968 16.5351 k = 0.3784 0.5210-0.0000 ( 1703 PWs) bands (ev): -29.3877 -29.3877 -10.5019 -10.4869 -9.2062 -9.1739 -8.9608 -8.9525 -1.3413 -1.3107 4.5944 4.6251 6.1364 6.1423 7.6797 7.6893 8.1699 8.1773 10.1210 10.1212 10.4145 10.4532 10.6188 10.6372 11.4564 11.5022 12.7532 12.7858 13.9526 13.9549 15.1135 15.1420 15.9245 15.9287 16.4821 16.5201 k = 0.3666 0.5210-0.0000 ( 1707 PWs) bands (ev): -29.3880 -29.3879 -10.5010 -10.4857 -9.2047 -9.1716 -8.9610 -8.9525 -1.3465 -1.3152 4.5538 4.5845 6.1699 6.1761 7.7064 7.7171 8.1757 8.1833 10.1379 10.1396 10.4380 10.4771 10.6400 10.6587 11.4320 11.4798 12.7467 12.7809 13.9160 13.9177 15.1041 15.1324 15.8984 15.9000 16.4829 16.5197 k = 0.3548 0.5210-0.0000 ( 1707 PWs) bands (ev): -29.3882 -29.3882 -10.5000 -10.4843 -9.2030 -9.1692 -8.9612 -8.9524 -1.3525 -1.3206 4.5113 4.5419 6.2077 6.2140 7.7333 7.7450 8.1830 8.1908 10.1553 10.1586 10.4625 10.5020 10.6620 10.6808 11.4076 11.4577 12.7348 12.7706 13.8848 13.8860 15.0919 15.1202 15.8572 15.8585 16.4981 16.5333 k = 0.3430 0.5210-0.0000 ( 1710 PWs) bands (ev): -29.3885 -29.3885 -10.4988 -10.4829 -9.2010 -9.1666 -8.9612 -8.9523 -1.3591 -1.3269 4.4672 4.4975 6.2495 6.2560 7.7600 7.7728 8.1917 8.1996 10.1727 10.1776 10.4878 10.5276 10.6847 10.7030 11.3837 11.4365 12.7171 12.7545 13.8597 13.8605 15.0760 15.1045 15.8050 15.8090 16.5247 16.5583 k = 0.3311 0.5210-0.0000 ( 1706 PWs) bands (ev): -29.3888 -29.3888 -10.4976 -10.4814 -9.1988 -9.1639 -8.9610 -8.9520 -1.3664 -1.3338 4.4219 4.4518 6.2951 6.3018 7.7865 7.8004 8.2018 8.2099 10.1896 10.1962 10.5139 10.5539 10.7079 10.7251 11.3609 11.4170 12.6936 12.7324 13.8413 13.8417 15.0555 15.0842 15.7486 15.7548 16.5592 16.5916 k = 0.3193 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3892 -29.3892 -10.4962 -10.4799 -9.1964 -9.1612 -8.9607 -8.9516 -1.3743 -1.3414 4.3756 4.4050 6.3444 6.3511 7.8125 7.8275 8.2132 8.2213 10.2056 10.2137 10.5406 10.5807 10.7309 10.7463 11.3401 11.4000 12.6645 12.7045 13.8295 13.8298 15.0291 15.0584 15.6922 15.7002 16.5989 16.6305 k = 0.3075 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3895 -29.3895 -10.4948 -10.4784 -9.1938 -9.1585 -8.9602 -8.9511 -1.3826 -1.3497 4.3288 4.3577 6.3970 6.4037 7.8380 7.8541 8.2257 8.2340 10.2201 10.2296 10.5677 10.6080 10.7530 10.7658 11.3224 11.3866 12.6299 12.6710 13.8244 13.8248 14.9957 15.0257 15.6396 15.6488 16.6418 16.6731 k = 0.2957 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3899 -29.3899 -10.4933 -10.4768 -9.1911 -9.1558 -8.9595 -8.9505 -1.3914 -1.3584 4.2817 4.3100 6.4525 6.4592 7.8631 7.8803 8.2395 8.2479 10.2327 10.2434 10.5949 10.6355 10.7732 10.7829 11.3091 11.3782 12.5905 12.6325 13.8259 13.8265 14.9545 14.9853 15.5933 15.6034 16.6867 16.7179 k = 0.2838 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3903 -29.3903 -10.4917 -10.4753 -9.1883 -9.1531 -8.9586 -8.9497 -1.4005 -1.3676 4.2347 4.2623 6.5107 6.5173 7.8878 7.9061 8.2543 8.2628 10.2430 10.2546 10.6221 10.6631 10.7904 10.7964 11.3017 11.3760 12.5468 12.5897 13.8334 13.8344 14.9051 14.9369 15.5548 15.5656 16.7324 16.7638 k = 0.2720 0.5210-0.0000 ( 1707 PWs) bands (ev): -29.3907 -29.3907 -10.4901 -10.4738 -9.1855 -9.1505 -8.9574 -8.9487 -1.4098 -1.3772 4.1879 4.2148 6.5711 6.5775 7.9123 7.9316 8.2701 8.2787 10.2505 10.2625 10.6488 10.6905 10.8034 10.8056 11.3019 11.3811 12.4996 12.5432 13.8467 13.8481 14.8482 14.8810 15.5247 15.5360 16.7782 16.8101 k = 0.2602 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3911 -29.3911 -10.4884 -10.4723 -9.1825 -9.1481 -8.9561 -8.9476 -1.4193 -1.3870 4.1418 4.1679 6.6333 6.6394 7.9367 7.9569 8.2868 8.2955 10.2547 10.2667 10.6745 10.7173 10.8106 10.8116 11.3106 11.3942 12.4497 12.4940 13.8651 13.8670 14.7847 14.8185 15.5025 15.5142 16.8236 16.8561 k = 0.2484 0.5210-0.0000 ( 1702 PWs) bands (ev): -29.3915 -29.3915 -10.4867 -10.4708 -9.1796 -9.1458 -8.9545 -8.9463 -1.4289 -1.3971 4.0964 4.1217 6.6969 6.7027 7.9612 7.9824 8.3044 8.3131 10.2550 10.2667 10.6984 10.7423 10.8122 10.8159 11.3284 11.4153 12.3978 12.4427 13.8882 13.8907 14.7162 14.7511 15.4873 15.4995 16.8681 16.9014 k = 0.2365 0.5210-0.0000 ( 1705 PWs) bands (ev): -29.3920 -29.3919 -10.4851 -10.4694 -9.1766 -9.1437 -8.9526 -8.9449 -1.4386 -1.4073 4.0521 4.0765 6.7615 6.7668 7.9860 8.0081 8.3227 8.3314 10.2511 10.2619 10.7185 10.7625 10.8127 10.8194 11.3546 11.4438 12.3445 12.3900 13.9156 13.9187 14.6442 14.6802 15.4781 15.4906 16.9112 16.9454 k = 0.2247 0.5210-0.0000 ( 1709 PWs) bands (ev): -29.3924 -29.3924 -10.4834 -10.4681 -9.1737 -9.1417 -8.9506 -8.9433 -1.4482 -1.4177 4.0089 4.0325 6.8264 6.8312 8.0116 8.0345 8.3416 8.3502 10.2423 10.2520 10.7319 10.7721 10.8163 10.8294 11.3884 11.4788 12.2905 12.3366 13.9468 13.9504 14.5702 14.6071 15.4738 15.4867 16.9527 16.9878 k = 0.2129 0.5210-0.0000 ( 1712 PWs) bands (ev): -29.3928 -29.3928 -10.4817 -10.4669 -9.1709 -9.1399 -8.9484 -8.9415 -1.4578 -1.4280 3.9672 3.9897 6.8912 6.8955 8.0381 8.0619 8.3610 8.3696 10.2284 10.2365 10.7361 10.7700 10.8265 10.8480 11.4283 11.5191 12.2364 12.2831 13.9815 13.9856 14.4952 14.5331 15.4736 15.4868 16.9923 17.0284 k = 0.2010 0.5210-0.0000 ( 1712 PWs) bands (ev): -29.3932 -29.3932 -10.4801 -10.4657 -9.1681 -9.1384 -8.9460 -8.9396 -1.4671 -1.4383 3.9269 3.9485 6.9554 6.9590 8.0662 8.0906 8.3807 8.3892 10.2089 10.2153 10.7326 10.7620 10.8429 10.8707 11.4729 11.5635 12.1828 12.2300 14.0192 14.0238 14.4203 14.4592 15.4768 15.4904 17.0297 17.0669 k = 0.1892 0.5210-0.0000 ( 1714 PWs) bands (ev): -29.3936 -29.3936 -10.4784 -10.4646 -9.1654 -9.1371 -8.9434 -8.9376 -1.4762 -1.4485 3.8884 3.9089 7.0182 7.0212 8.0960 8.1211 8.4006 8.4091 10.1837 10.1883 10.7253 10.7521 10.8624 10.8942 11.5210 11.6108 12.1301 12.1778 14.0597 14.0647 14.3464 14.3860 15.4828 15.4968 17.0648 17.1031 k = 0.1774 0.5210-0.0000 ( 1714 PWs) bands (ev): -29.3940 -29.3940 -10.4768 -10.4635 -9.1628 -9.1359 -8.9407 -8.9355 -1.4851 -1.4585 3.8517 3.8711 7.0790 7.0814 8.1281 8.1537 8.4206 8.4289 10.1528 10.1556 10.7169 10.7422 10.8829 10.9174 11.5714 11.6600 12.0788 12.1269 14.1025 14.1077 14.2741 14.3143 15.4913 15.5055 17.0974 17.1367 k = 0.1656 0.5210-0.0000 ( 1715 PWs) bands (ev): -29.3944 -29.3944 -10.4753 -10.4626 -9.1603 -9.1350 -8.9380 -8.9333 -1.4936 -1.4682 3.8168 3.8352 7.1373 7.1390 8.1629 8.1889 8.4405 8.4487 10.1165 10.1174 10.7088 10.7329 10.9034 10.9397 11.6233 11.7102 12.0292 12.0777 14.1469 14.1505 14.2061 14.2450 15.5017 15.5161 17.1275 17.1677 k = 0.1537 0.5210-0.0000 ( 1717 PWs) bands (ev): -29.3947 -29.3947 -10.4738 -10.4618 -9.1579 -9.1343 -8.9352 -8.9311 -1.5016 -1.4776 3.7841 3.8013 7.1925 7.1936 8.2007 8.2270 8.4602 8.4682 10.0743 10.0750 10.7016 10.7247 10.9232 10.9607 11.6757 11.7604 11.9819 12.0306 14.1311 14.1697 14.2013 14.2045 15.5138 15.5284 17.1550 17.1959 k = 0.1419 0.5210-0.0000 ( 1719 PWs) bands (ev): -29.3951 -29.3951 -10.4723 -10.4611 -9.1557 -9.1337 -8.9324 -8.9288 -1.5092 -1.4867 3.7534 3.7694 7.2439 7.2445 8.2419 8.2682 8.4794 8.4872 10.0267 10.0289 10.6956 10.7175 10.9420 10.9803 11.7280 11.8096 11.9373 11.9863 14.0676 14.1092 14.2448 14.2513 15.5272 15.5419 17.1799 17.2212 k = 0.1301 0.5210-0.0000 ( 1724 PWs) bands (ev): -29.3954 -29.3954 -10.4709 -10.4604 -9.1536 -9.1334 -8.9296 -8.9265 -1.5163 -1.4953 3.7250 3.7398 7.2911 7.2912 8.2865 8.3127 8.4981 8.5056 9.9753 9.9788 10.6906 10.7115 10.9595 10.9981 11.7793 11.8558 11.8958 11.9461 14.0060 14.0475 14.2934 14.3002 15.5417 15.5562 17.2023 17.2432 k = 0.1183 0.5210-0.0000 ( 1726 PWs) bands (ev): -29.3957 -29.3957 -10.4696 -10.4599 -9.1516 -9.1332 -8.9269 -8.9243 -1.5229 -1.5035 3.6988 3.7124 7.3336 7.3338 8.3346 8.3605 8.5160 8.5233 9.9206 9.9253 10.6868 10.7063 10.9758 11.0140 11.8271 11.8597 11.8839 11.9251 13.9479 13.9888 14.3428 14.3496 15.5569 15.5711 17.2220 17.2609 k = 0.1064 0.5210-0.0000 ( 1728 PWs) bands (ev): -29.3960 -29.3960 -10.4683 -10.4595 -9.1497 -9.1331 -8.9244 -8.9222 -1.5288 -1.5111 3.6750 3.6873 7.3714 7.3718 8.3859 8.4113 8.5330 8.5400 9.8635 9.8692 10.6839 10.7019 10.9906 11.0279 11.8195 11.8602 11.8807 11.9564 13.8939 13.9336 14.3919 14.3987 15.5724 15.5862 17.2318 17.2467 k = 0.0946 0.5210-0.0000 ( 1728 PWs) bands (ev): -29.3963 -29.3963 -10.4671 -10.4592 -9.1480 -9.1332 -8.9220 -8.9202 -1.5341 -1.5182 3.6537 3.6647 7.4046 7.4051 8.4397 8.4645 8.5488 8.5557 9.8047 9.8112 10.6817 10.6982 11.0040 11.0398 11.7891 11.8286 11.9258 11.9956 13.8444 13.8824 14.4402 14.4468 15.5880 15.6011 17.1548 17.1641 k = 0.0828 0.5210-0.0000 ( 1728 PWs) bands (ev): -29.3965 -29.3965 -10.4660 -10.4590 -9.1464 -9.1334 -8.9197 -8.9183 -1.5388 -1.5247 3.6348 3.6445 7.4331 7.4338 8.4951 8.5194 8.5636 8.5706 9.7449 9.7522 10.6802 10.6950 11.0161 11.0496 11.7621 11.7991 11.9687 12.0322 13.7997 13.8354 14.4867 14.4930 15.6031 15.6155 17.0720 17.0809 k = 0.0710 0.5210-0.0000 ( 1728 PWs) bands (ev): -29.3967 -29.3967 -10.4649 -10.4588 -9.1449 -9.1338 -8.9177 -8.9166 -1.5427 -1.5305 3.6185 3.6268 7.4573 7.4579 8.5491 8.5710 8.5808 8.5863 9.6853 9.6931 10.6793 10.6922 11.0267 11.0572 11.7390 11.7726 12.0082 12.0649 13.7605 13.7930 14.5305 14.5363 15.6176 15.6288 16.9963 17.0044 k = 0.0591 0.5210-0.0000 ( 1726 PWs) bands (ev): -29.3969 -29.3969 -10.4639 -10.4588 -9.1435 -9.1342 -8.9160 -8.9151 -1.5459 -1.5357 3.6047 3.6116 7.4772 7.4778 8.5846 8.5868 8.6184 8.6312 9.6273 9.6353 10.6789 10.6899 11.0361 11.0629 11.7200 11.7495 12.0438 12.0928 13.7269 13.7556 14.5706 14.5757 15.6309 15.6407 16.9291 16.9363 k = 0.0473 0.5210-0.0000 ( 1724 PWs) bands (ev): -29.3970 -29.3970 -10.4630 -10.4589 -9.1421 -9.1348 -8.9145 -8.9138 -1.5484 -1.5401 3.5934 3.5990 7.4932 7.4937 8.5967 8.5977 8.6687 8.6831 9.5728 9.5805 10.6789 10.6877 11.0442 11.0666 11.7054 11.7300 12.0749 12.1154 13.6995 13.7236 14.6057 14.6101 15.6426 15.6508 16.8720 16.8779 k = 0.0355 0.5210-0.0000 ( 1720 PWs) bands (ev): -29.3971 -29.3971 -10.4622 -10.4591 -9.1409 -9.1354 -8.9133 -8.9129 -1.5501 -1.5438 3.5849 3.5891 7.5054 7.5057 8.6044 8.6057 8.7172 8.7296 9.5244 9.5313 10.6792 10.6859 11.0511 11.0685 11.6949 11.7139 12.1010 12.1322 13.6786 13.6975 14.6347 14.6382 15.6525 15.6588 16.8260 16.8307 k = 0.0237 0.5210-0.0000 ( 1718 PWs) bands (ev): -29.3972 -29.3972 -10.4614 -10.4594 -9.1398 -9.1361 -8.9125 -8.9122 -1.5510 -1.5468 3.5789 3.5817 7.5139 7.5142 8.6101 8.6111 8.7577 8.7670 9.4856 9.4909 10.6797 10.6842 11.0569 11.0688 11.6884 11.7014 12.1217 12.1428 13.6645 13.6775 14.6566 14.6590 15.6601 15.6644 16.7925 16.7956 k = 0.0118 0.5210-0.0000 ( 1714 PWs) bands (ev): -29.3973 -29.3973 -10.4608 -10.4597 -9.1387 -9.1369 -8.9119 -8.9118 -1.5511 -1.5490 3.5756 3.5771 7.5190 7.5192 8.6137 8.6142 8.7859 8.7908 9.4604 9.4634 10.6805 10.6828 11.0617 11.0678 11.6860 11.6926 12.1364 12.1471 13.6574 13.6640 14.6704 14.6716 15.6652 15.6674 16.7723 16.7739 k = 0.0000 0.5210-0.0000 ( 1714 PWs) bands (ev): -29.3973 -29.3973 -10.4602 -10.4602 -9.1378 -9.1378 -8.9117 -8.9117 -1.5505 -1.5505 3.5750 3.5750 7.5208 7.5208 8.6150 8.6150 8.7976 8.7976 9.4526 9.4526 10.6815 10.6815 11.0653 11.0653 11.6874 11.6874 12.1450 12.1450 13.6572 13.6572 14.6755 14.6755 15.6677 15.6677 16.7660 16.7660 k = 0.0000 0.5210-0.0000 ( 1714 PWs) bands (ev): -29.3973 -29.3973 -10.4602 -10.4602 -9.1378 -9.1378 -8.9117 -8.9117 -1.5505 -1.5505 3.5750 3.5750 7.5208 7.5208 8.6150 8.6150 8.7976 8.7976 9.4526 9.4526 10.6815 10.6815 11.0653 11.0653 11.6874 11.6874 12.1450 12.1450 13.6572 13.6572 14.6755 14.6755 15.6677 15.6677 16.7660 16.7660 k = 0.0000 0.5210 0.0118 ( 1714 PWs) bands (ev): -29.3973 -29.3973 -10.4606 -10.4599 -9.1383 -9.1372 -8.9123 -8.9117 -1.5514 -1.5493 3.5745 3.5769 7.5205 7.5210 8.6122 8.6129 8.7985 8.7996 9.4514 9.4523 10.6791 10.6841 11.0620 11.0693 11.6821 11.6905 12.1433 12.1481 13.6543 13.6579 14.6736 14.6782 15.6669 15.6694 16.7652 16.7694 k = 0.0000 0.5210 0.0236 ( 1718 PWs) bands (ev): -29.3971 -29.3971 -10.4612 -10.4597 -9.1389 -9.1366 -8.9135 -8.9123 -1.5522 -1.5480 3.5753 3.5801 7.5202 7.5211 8.6045 8.6061 8.8022 8.8042 9.4487 9.4503 10.6766 10.6866 11.0594 11.0739 11.6748 11.6914 12.1431 12.1525 13.6493 13.6563 14.6727 14.6817 15.6670 15.6720 16.7670 16.7754 k = 0.0000 0.5210 0.0354 ( 1716 PWs) bands (ev): -29.3970 -29.3970 -10.4619 -10.4596 -9.1394 -9.1360 -8.9154 -8.9135 -1.5527 -1.5465 3.5774 3.5847 7.5198 7.5212 8.5925 8.5952 8.8081 8.8109 9.4445 9.4469 10.6743 10.6892 11.0575 11.0793 11.6656 11.6901 12.1444 12.1581 13.6422 13.6526 14.6728 14.6861 15.6680 15.6755 16.7713 16.7837 k = 0.0000 0.5210 0.0472 ( 1716 PWs) bands (ev): -29.3967 -29.3967 -10.4627 -10.4597 -9.1400 -9.1354 -8.9178 -8.9153 -1.5531 -1.5449 3.5809 3.5906 7.5194 7.5212 8.5768 8.5808 8.8156 8.8189 9.4389 9.4422 10.6720 10.6917 11.0565 11.0854 11.6546 11.6867 12.1471 12.1648 13.6330 13.6466 14.6742 14.6914 15.6699 15.6798 16.7780 16.7944 k = 0.0000 0.5210 0.0590 ( 1718 PWs) bands (ev): -29.3964 -29.3964 -10.4636 -10.4599 -9.1406 -9.1348 -8.9207 -8.9177 -1.5533 -1.5431 3.5857 3.5977 7.5190 7.5212 8.5579 8.5635 8.8239 8.8276 9.4321 9.4361 10.6697 10.6940 11.0562 11.0922 11.6422 11.6814 12.1511 12.1724 13.6217 13.6383 14.6770 14.6979 15.6727 15.6849 16.7871 16.8072 k = 0.0000 0.5210 0.0709 ( 1720 PWs) bands (ev): -29.3960 -29.3960 -10.4647 -10.4602 -9.1412 -9.1342 -8.9242 -8.9205 -1.5533 -1.5413 3.5919 3.6061 7.5185 7.5212 8.5364 8.5436 8.8327 8.8366 9.4243 9.4290 10.6674 10.6961 11.0569 11.0998 11.6284 11.6742 12.1563 12.1806 13.6085 13.6278 14.6816 14.7057 15.6763 15.6908 16.7982 16.8218 k = 0.0000 0.5210 0.0827 ( 1720 PWs) bands (ev): -29.3956 -29.3956 -10.4658 -10.4607 -9.1419 -9.1337 -8.9280 -8.9238 -1.5532 -1.5393 3.5994 3.6157 7.5180 7.5212 8.5124 8.5215 8.8413 8.8453 9.4157 9.4211 10.6649 10.6977 11.0587 11.1083 11.6136 11.6656 12.1624 12.1895 13.5933 13.6150 14.6881 14.7151 15.6808 15.6974 16.8113 16.8381 k = 0.0000 0.5210 0.0945 ( 1722 PWs) bands (ev): -29.3951 -29.3951 -10.4671 -10.4613 -9.1427 -9.1333 -8.9323 -8.9276 -1.5529 -1.5372 3.6081 3.6265 7.5176 7.5211 8.4864 8.4974 8.8494 8.8535 9.4067 9.4127 10.6623 10.6988 11.0616 11.1177 11.5979 11.6556 12.1694 12.1987 13.5763 13.6002 14.6968 14.7261 15.6861 15.7048 16.8262 16.8559 k = 0.0000 0.5210 0.1063 ( 1722 PWs) bands (ev): -29.3945 -29.3945 -10.4685 -10.4621 -9.1436 -9.1329 -8.9369 -8.9316 -1.5524 -1.5351 3.6182 3.6384 7.5171 7.5211 8.4584 8.4715 8.8566 8.8607 9.3975 9.4041 10.6594 10.6992 11.0658 11.1279 11.5816 11.6447 12.1770 12.2082 13.5574 13.5833 14.7078 14.7391 15.6923 15.7129 16.8426 16.8749 k = 0.0000 0.5210 0.1181 ( 1724 PWs) bands (ev): -29.3939 -29.3939 -10.4701 -10.4630 -9.1447 -9.1327 -8.9417 -8.9359 -1.5518 -1.5330 3.6294 3.6515 7.5167 7.5211 8.4286 8.4438 8.8625 8.8667 9.3887 9.3957 10.6562 10.6989 11.0711 11.1389 11.5650 11.6332 12.1850 12.2178 13.5369 13.5644 14.7214 14.7540 15.6994 15.7217 16.8603 16.8950 k = 0.0000 0.5210 0.1299 ( 1720 PWs) bands (ev): -29.3932 -29.3932 -10.4717 -10.4641 -9.1460 -9.1327 -8.9467 -8.9404 -1.5511 -1.5308 3.6419 3.6656 7.5164 7.5211 8.3971 8.4144 8.8668 8.8710 9.3806 9.3879 10.6529 10.6979 11.0776 11.1506 11.5485 11.6214 12.1933 12.2275 13.5148 13.5438 14.7375 14.7711 15.7074 15.7314 16.8791 16.9160 k = 0.0000 0.5210 0.1417 ( 1716 PWs) bands (ev): -29.3925 -29.3925 -10.4735 -10.4653 -9.1476 -9.1329 -8.9517 -8.9450 -1.5503 -1.5287 3.6555 3.6807 7.5161 7.5212 8.3641 8.3835 8.8691 8.8733 9.3736 9.3812 10.6493 10.6961 11.0852 11.1629 11.5322 11.6095 12.2017 12.2370 13.4913 13.5215 14.7561 14.7904 15.7164 15.7418 16.8990 16.9377 k = 0.0000 0.5210 0.1535 ( 1718 PWs) bands (ev): -29.3917 -29.3917 -10.4755 -10.4667 -9.1494 -9.1334 -8.9567 -8.9496 -1.5495 -1.5266 3.6702 3.6968 7.5160 7.5214 8.3296 8.3511 8.8691 8.8732 9.3681 9.3760 10.6455 10.6935 11.0936 11.1754 11.5166 11.5979 12.2101 12.2463 13.4663 13.4977 14.7774 14.8119 15.7264 15.7532 16.9198 16.9601 k = 0.0000 0.5210 0.1653 ( 1718 PWs) bands (ev): -29.3909 -29.3909 -10.4775 -10.4683 -9.1516 -9.1342 -8.9617 -8.9540 -1.5485 -1.5245 3.6860 3.7139 7.5159 7.5216 8.2937 8.3172 8.8667 8.8705 9.3646 9.3726 10.6415 10.6902 11.1026 11.1877 11.5021 11.5871 12.2183 12.2553 13.4402 13.4726 14.8011 14.8355 15.7374 15.7655 16.9413 16.9830 k = 0.0000 0.5210 0.1771 ( 1714 PWs) bands (ev): -29.3900 -29.3900 -10.4797 -10.4701 -9.1541 -9.1355 -8.9664 -8.9583 -1.5475 -1.5226 3.7029 3.7317 7.5159 7.5220 8.2566 8.2820 8.8615 8.8651 9.3634 9.3714 10.6374 10.6864 11.1119 11.1994 11.4895 11.5776 12.2263 12.2640 13.4130 13.4463 14.8272 14.8613 15.7496 15.7788 16.9636 17.0065 k = 0.0000 0.5210 0.1890 ( 1710 PWs) bands (ev): -29.3891 -29.3891 -10.4820 -10.4720 -9.1570 -9.1372 -8.9708 -8.9623 -1.5465 -1.5207 3.7207 3.7504 7.5161 7.5225 8.2183 8.2455 8.8535 8.8568 9.3645 9.3725 10.6333 10.6821 11.1211 11.2097 11.4794 11.5697 12.2339 12.2721 13.3849 13.4191 14.8556 14.8891 15.7630 15.7931 16.9865 17.0304 k = 0.0000 0.5210 0.2008 ( 1714 PWs) bands (ev): -29.3882 -29.3882 -10.4845 -10.4741 -9.1603 -9.1393 -8.9748 -8.9660 -1.5455 -1.5190 3.7393 3.7698 7.5163 7.5231 8.1789 8.2078 8.8428 8.8457 9.3680 9.3760 10.6291 10.6773 11.1297 11.2177 11.4725 11.5639 12.2411 12.2797 13.3559 13.3910 14.8860 14.9188 15.7775 15.8085 17.0100 17.0548 k = 0.0000 0.5210 0.2126 ( 1714 PWs) bands (ev): -29.3873 -29.3873 -10.4870 -10.4764 -9.1640 -9.1420 -8.9785 -8.9693 -1.5445 -1.5175 3.7589 3.7899 7.5167 7.5238 8.1386 8.1691 8.8296 8.8320 9.3738 9.3817 10.6250 10.6723 11.1372 11.2226 11.4699 11.5608 12.2479 12.2868 13.3262 13.3623 14.9184 14.9502 15.7932 15.8251 17.0341 17.0796 k = 0.0000 0.5210 0.2244 ( 1716 PWs) bands (ev): -29.3863 -29.3863 -10.4897 -10.4788 -9.1680 -9.1453 -8.9816 -8.9722 -1.5435 -1.5161 3.7792 3.8105 7.5171 7.5245 8.0975 8.1295 8.8140 8.8160 9.3818 9.3896 10.6211 10.6672 11.1432 11.2239 11.4720 11.5608 12.2541 12.2932 13.2958 13.3329 14.9524 14.9832 15.8102 15.8427 17.0589 17.1048 k = 0.0000 0.5210 0.2362 ( 1714 PWs) bands (ev): -29.3853 -29.3853 -10.4925 -10.4814 -9.1724 -9.1491 -8.9841 -8.9747 -1.5426 -1.5148 3.8001 3.8317 7.5176 7.5254 8.0557 8.0891 8.7965 8.7980 9.3918 9.3994 10.6175 10.6621 11.1473 11.2215 11.4790 11.5644 12.2598 12.2989 13.2650 13.3031 14.9879 15.0176 15.8284 15.8615 17.0843 17.1306 k = 0.0000 0.5210 0.2480 ( 1714 PWs) bands (ev): -29.3843 -29.3843 -10.4954 -10.4841 -9.1772 -9.1533 -8.9862 -8.9767 -1.5417 -1.5138 3.8218 3.8533 7.5182 7.5264 8.0135 8.0481 8.7774 8.7784 9.4034 9.4108 10.6141 10.6570 11.1493 11.2157 11.4904 11.5716 12.2650 12.3039 13.2337 13.2729 15.0246 15.0532 15.8478 15.8812 17.1105 17.1569 k = 0.0000 0.5210 0.2598 ( 1716 PWs) bands (ev): -29.3833 -29.3833 -10.4984 -10.4870 -9.1822 -9.1581 -8.9876 -8.9782 -1.5408 -1.5129 3.8439 3.8753 7.5187 7.5274 7.9708 8.0065 8.7569 8.7577 9.4163 9.4236 10.6110 10.6521 11.1489 11.2070 11.5057 11.5826 12.2696 12.3082 13.2021 13.2424 15.0623 15.0897 15.8681 15.9019 17.1374 17.1837 k = 0.0000 0.5210 0.2716 ( 1716 PWs) bands (ev): -29.3823 -29.3823 -10.5014 -10.4900 -9.1874 -9.1632 -8.9886 -8.9793 -1.5400 -1.5122 3.8665 3.8977 7.5192 7.5285 7.9280 7.9647 8.7354 8.7361 9.4305 9.4375 10.6083 10.6474 11.1464 11.1962 11.5242 11.5973 12.2737 12.3118 13.1703 13.2117 15.1008 15.1270 15.8894 15.9233 17.1652 17.2112 k = 0.0000 0.5210 0.2834 ( 1718 PWs) bands (ev): -29.3813 -29.3812 -10.5045 -10.4932 -9.1928 -9.1687 -8.9891 -8.9801 -1.5393 -1.5118 3.8894 3.9202 7.5197 7.5295 7.8851 7.9228 8.7132 8.7141 9.4455 9.4522 10.6059 10.6429 11.1419 11.1840 11.5451 11.6151 12.2772 12.3147 13.1383 13.1808 15.1398 15.1648 15.9113 15.9453 17.1939 17.2393 k = 0.0000 0.5210 0.2952 ( 1718 PWs) bands (ev): -29.3802 -29.3802 -10.5077 -10.4964 -9.1983 -9.1745 -8.9892 -8.9804 -1.5386 -1.5115 3.9126 3.9428 7.5200 7.5305 7.8424 7.8810 8.6907 8.6919 9.4611 9.4675 10.6040 10.6388 11.1358 11.1710 11.5681 11.6359 12.2804 12.3169 13.1062 13.1499 15.1791 15.2030 15.9337 15.9674 17.2237 17.2681 k = 0.0000 0.5210 0.3070 ( 1722 PWs) bands (ev): -29.3793 -29.3792 -10.5108 -10.4998 -9.2038 -9.1804 -8.9889 -8.9805 -1.5380 -1.5114 3.9360 3.9654 7.5199 7.5314 7.8002 7.8397 8.6682 8.6696 9.4772 9.4831 10.6024 10.6349 11.1282 11.1575 11.5925 11.6589 12.2831 12.3184 13.0742 13.1189 15.2185 15.2414 15.9561 15.9895 17.2545 17.2977 k = 0.0000 0.5210 0.3189 ( 1720 PWs) bands (ev): -29.3783 -29.3783 -10.5140 -10.5032 -9.2093 -9.1864 -8.9883 -8.9803 -1.5374 -1.5115 3.9594 3.9879 7.5194 7.5320 7.7587 7.7991 8.6459 8.6476 9.4935 9.4990 10.6011 10.6314 11.1196 11.1438 11.6182 11.6839 12.2854 12.3194 13.0423 13.0879 15.2578 15.2799 15.9783 16.0109 17.2866 17.3281 k = 0.0000 0.5210 0.3307 ( 1722 PWs) bands (ev): -29.3773 -29.3773 -10.5172 -10.5066 -9.2147 -9.1925 -8.9874 -8.9799 -1.5369 -1.5117 3.9827 4.0102 7.5182 7.5321 7.7182 7.7597 8.6241 8.6259 9.5099 9.5149 10.6002 10.6281 11.1103 11.1302 11.6449 11.7103 12.2874 12.3197 13.0106 13.0571 15.2970 15.3182 15.9998 16.0314 17.3200 17.3594 k = 0.0000 0.5210 0.3425 ( 1726 PWs) bands (ev): -29.3764 -29.3764 -10.5203 -10.5101 -9.2199 -9.1986 -8.9863 -8.9792 -1.5364 -1.5121 4.0058 4.0323 7.5159 7.5315 7.6794 7.7219 8.6029 8.6049 9.5262 9.5306 10.5996 10.6251 11.1005 11.1170 11.6723 11.7377 12.2891 12.3196 12.9793 13.0265 15.3359 15.3562 16.0200 16.0504 17.3547 17.3916 k = 0.0000 0.5210 0.3543 ( 1728 PWs) bands (ev): -29.3755 -29.3755 -10.5234 -10.5135 -9.2250 -9.2046 -8.9851 -8.9785 -1.5360 -1.5127 4.0286 4.0538 7.5120 7.5293 7.6431 7.6867 8.5825 8.5847 9.5422 9.5461 10.5992 10.6224 11.0905 11.1042 11.7001 11.7657 12.2907 12.3190 12.9484 12.9961 15.3744 15.3940 16.0385 16.0674 17.3907 17.4247 k = 0.0000 0.5210 0.3661 ( 1730 PWs) bands (ev): -29.3746 -29.3746 -10.5264 -10.5169 -9.2298 -9.2104 -8.9837 -8.9776 -1.5356 -1.5134 4.0510 4.0749 7.5056 7.5241 7.6111 7.6550 8.5631 8.5654 9.5579 9.5612 10.5990 10.6199 11.0806 11.0920 11.7282 11.7941 12.2920 12.3180 12.9180 12.9660 15.4125 15.4313 16.0548 16.0819 17.4278 17.4585 k = 0.0000 0.5210 0.3779 ( 1732 PWs) bands (ev): -29.3738 -29.3738 -10.5293 -10.5203 -9.2343 -9.2160 -8.9823 -8.9766 -1.5353 -1.5142 4.0727 4.0952 7.4955 7.5129 7.5865 7.6282 8.5448 8.5471 9.5731 9.5759 10.5989 10.6175 11.0708 11.0805 11.7563 11.8223 12.2934 12.3168 12.8884 12.9364 15.4501 15.4682 16.0684 16.0935 17.4660 17.4931 k = 0.0000 0.5210 0.3897 ( 1730 PWs) bands (ev): -29.3730 -29.3730 -10.5321 -10.5236 -9.2386 -9.2214 -8.9808 -8.9756 -1.5349 -1.5152 4.0937 4.1148 7.4808 7.4934 7.5718 7.6074 8.5276 8.5299 9.5878 9.5899 10.5990 10.6154 11.0614 11.0697 11.7843 11.8502 12.2947 12.3154 12.8596 12.9073 15.4872 15.5046 16.0790 16.1018 17.5047 17.5283 k = 0.0000 0.5210 0.4015 ( 1730 PWs) bands (ev): -29.3723 -29.3723 -10.5347 -10.5267 -9.2425 -9.2266 -8.9793 -8.9746 -1.5346 -1.5162 4.1139 4.1333 7.4616 7.4684 7.5646 7.5926 8.5116 8.5139 9.6017 9.6034 10.5990 10.6134 11.0525 11.0597 11.8118 11.8773 12.2961 12.3140 12.8319 12.8787 15.5238 15.5404 16.0862 16.1067 17.5437 17.5637 k = 0.0000 0.5210 0.4133 ( 1732 PWs) bands (ev): -29.3716 -29.3716 -10.5371 -10.5298 -9.2461 -9.2314 -8.9779 -8.9736 -1.5342 -1.5172 4.1330 4.1508 7.4386 7.4421 7.5613 7.5828 8.4970 8.4992 9.6148 9.6160 10.5991 10.6114 11.0442 11.0505 11.8387 11.9033 12.2975 12.3127 12.8053 12.8510 15.5599 15.5756 16.0898 16.1078 17.5823 17.5991 k = 0.0000 0.5210 0.4251 ( 1730 PWs) bands (ev): -29.3710 -29.3710 -10.5394 -10.5326 -9.2493 -9.2359 -8.9764 -8.9726 -1.5338 -1.5184 4.1509 4.1671 7.4133 7.4174 7.5598 7.5764 8.4837 8.4858 9.6270 9.6278 10.5991 10.6097 11.0366 11.0422 11.8648 11.9279 12.2991 12.3116 12.7801 12.8241 15.5953 15.6102 16.0897 16.1054 17.6199 17.6340 k = 0.0000 0.5210 0.4370 ( 1730 PWs) bands (ev): -29.3704 -29.3704 -10.5414 -10.5353 -9.2521 -9.2401 -8.9751 -8.9717 -1.5334 -1.5195 4.1675 4.1820 7.3886 7.3938 7.5591 7.5721 8.4717 8.4737 9.6381 9.6387 10.5991 10.6080 11.0297 11.0346 11.8898 11.9505 12.3008 12.3109 12.7565 12.7984 15.6301 15.6441 16.0861 16.0993 17.6557 17.6680 k = 0.0000 0.5210 0.4488 ( 1736 PWs) bands (ev): -29.3699 -29.3699 -10.5432 -10.5378 -9.2545 -9.2439 -8.9738 -8.9709 -1.5330 -1.5207 4.1826 4.1954 7.3659 7.3716 7.5588 7.5691 8.4612 8.4630 9.6481 9.6485 10.5991 10.6064 11.0236 11.0279 11.9134 11.9709 12.3026 12.3107 12.7349 12.7738 15.6640 15.6770 16.0790 16.0900 17.6890 17.7002 k = 0.0000 0.5210 0.4606 ( 1732 PWs) bands (ev): -29.3695 -29.3694 -10.5447 -10.5401 -9.2564 -9.2473 -8.9727 -8.9702 -1.5325 -1.5219 4.1962 4.2072 7.3456 7.3514 7.5588 7.5669 8.4521 8.4537 9.6570 9.6572 10.5990 10.6050 11.0184 11.0222 11.9356 11.9885 12.3046 12.3110 12.7155 12.7509 15.6970 15.7089 16.0689 16.0778 17.7193 17.7299 k = 0.0000 0.5210 0.4724 ( 1730 PWs) bands (ev): -29.3691 -29.3691 -10.5460 -10.5421 -9.2580 -9.2504 -8.9717 -8.9696 -1.5320 -1.5231 4.2081 4.2172 7.3282 7.3336 7.5589 7.5653 8.4445 8.4459 9.6645 9.6648 10.5990 10.6036 11.0141 11.0172 11.9559 12.0030 12.3066 12.3119 12.6987 12.7299 15.7288 15.7395 16.0562 16.0632 17.7463 17.7562 k = 0.0000 0.5210 0.4842 ( 1728 PWs) bands (ev): -29.3688 -29.3688 -10.5469 -10.5438 -9.2592 -9.2530 -8.9708 -8.9691 -1.5314 -1.5242 4.2181 4.2255 7.3139 7.3185 7.5591 7.5641 8.4382 8.4394 9.6708 9.6711 10.5989 10.6025 11.0106 11.0132 11.9741 12.0140 12.3088 12.3131 12.6849 12.7111 15.7587 15.7680 16.0416 16.0470 17.7693 17.7783 k = 0.0000 0.5210 0.4960 ( 1726 PWs) bands (ev): -29.3685 -29.3685 -10.5476 -10.5453 -9.2599 -9.2553 -8.9700 -8.9688 -1.5307 -1.5253 4.2262 4.2317 7.3027 7.3063 7.5595 7.5630 8.4334 8.4343 9.6758 9.6761 10.5989 10.6015 11.0080 11.0099 11.9900 12.0213 12.3109 12.3143 12.6745 12.6950 15.7861 15.7937 16.0264 16.0304 17.7882 17.7956 k = 0.0000 0.5210 0.5078 ( 1728 PWs) bands (ev): -29.3683 -29.3683 -10.5480 -10.5464 -9.2602 -9.2571 -8.9694 -8.9686 -1.5300 -1.5264 4.2323 4.2360 7.2948 7.2973 7.5599 7.5622 8.4301 8.4306 9.6794 9.6796 10.5990 10.6007 11.0062 11.0075 12.0032 12.0248 12.3129 12.3153 12.6678 12.6819 15.8093 15.8150 16.0121 16.0149 17.8024 17.8077 k = 0.0000 0.5210 0.5196 ( 1730 PWs) bands (ev): -29.3682 -29.3682 -10.5481 -10.5473 -9.2600 -9.2585 -8.9690 -8.9686 -1.5292 -1.5274 4.2364 4.2382 7.2903 7.2916 7.5603 7.5614 8.4281 8.4284 9.6816 9.6817 10.5992 10.6000 11.0051 11.0058 12.0136 12.0246 12.3145 12.3157 12.6652 12.6724 15.8261 15.8292 16.0016 16.0031 17.8117 17.8144 k = 0.0000 0.5210 0.5314 ( 1728 PWs) bands (ev): -29.3682 -29.3682 -10.5478 -10.5478 -9.2595 -9.2595 -8.9687 -8.9687 -1.5283 -1.5283 4.2383 4.2383 7.2893 7.2893 7.5608 7.5608 8.4275 8.4275 9.6824 9.6824 10.5995 10.5995 11.0051 11.0051 12.0208 12.0208 12.3155 12.3155 12.6667 12.6667 15.8334 15.8334 15.9981 15.9981 17.8157 17.8157 k = 0.0000 0.5210 0.5314 ( 1728 PWs) bands (ev): -29.3682 -29.3682 -10.5478 -10.5478 -9.2595 -9.2595 -8.9687 -8.9687 -1.5283 -1.5283 4.2383 4.2383 7.2893 7.2893 7.5608 7.5608 8.4275 8.4275 9.6824 9.6824 10.5995 10.5995 11.0051 11.0051 12.0208 12.0208 12.3155 12.3155 12.6667 12.6667 15.8334 15.8334 15.9981 15.9981 17.8157 17.8157 k = 0.0118 0.5210 0.5314 ( 1730 PWs) bands (ev): -29.3682 -29.3682 -10.5481 -10.5476 -9.2596 -9.2593 -8.9694 -8.9684 -1.5283 -1.5280 4.2378 4.2381 7.2887 7.2917 7.5597 7.5608 8.4242 8.4267 9.6854 9.6867 10.5924 10.5988 11.0048 11.0139 12.0192 12.0200 12.3121 12.3151 12.6665 12.6676 15.8302 15.8314 15.9974 16.0020 17.8155 17.8190 k = 0.0237 0.5210 0.5314 ( 1726 PWs) bands (ev): -29.3681 -29.3681 -10.5484 -10.5474 -9.2596 -9.2589 -8.9706 -8.9685 -1.5279 -1.5273 4.2365 4.2371 7.2900 7.2960 7.5572 7.5594 8.4169 8.4217 9.6955 9.6981 10.5785 10.5904 11.0131 11.0304 12.0151 12.0170 12.3051 12.3110 12.6668 12.6692 15.8220 15.8244 16.0000 16.0090 17.8183 17.8253 k = 0.0355 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3680 -29.3680 -10.5487 -10.5473 -9.2594 -9.2585 -8.9722 -8.9690 -1.5272 -1.5263 4.2344 4.2354 7.2932 7.3022 7.5535 7.5568 8.4058 8.4130 9.7125 9.7163 10.5591 10.5754 11.0288 11.0530 12.0084 12.0114 12.2951 12.3034 12.6678 12.6714 15.8090 15.8124 16.0057 16.0191 17.8241 17.8344 k = 0.0473 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3679 -29.3679 -10.5490 -10.5471 -9.2592 -9.2579 -8.9741 -8.9700 -1.5262 -1.5249 4.2316 4.2330 7.2981 7.3102 7.5486 7.5530 8.3915 8.4008 9.7359 9.7407 10.5357 10.5550 11.0504 11.0803 11.9984 12.0031 12.2826 12.2929 12.6694 12.6743 15.7913 15.7958 16.0145 16.0320 17.8327 17.8462 k = 0.0591 0.5210 0.5314 ( 1720 PWs) bands (ev): -29.3678 -29.3678 -10.5494 -10.5470 -9.2588 -9.2572 -8.9765 -8.9713 -1.5248 -1.5232 4.2282 4.2299 7.3048 7.3198 7.5423 7.5478 8.3744 8.3857 9.7650 9.7708 10.5098 10.5311 11.0765 11.1110 11.9849 11.9915 12.2686 12.2801 12.6717 12.6780 15.7693 15.7748 16.0261 16.0475 17.8438 17.8602 k = 0.0710 0.5210 0.5314 ( 1718 PWs) bands (ev): -29.3676 -29.3676 -10.5498 -10.5470 -9.2584 -9.2564 -8.9793 -8.9730 -1.5231 -1.5212 4.2242 4.2263 7.3130 7.3311 7.5347 7.5414 8.3552 8.3683 9.7992 9.8058 10.4823 10.5047 11.1057 11.1441 11.9671 11.9762 12.2540 12.2659 12.6746 12.6823 15.7435 15.7499 16.0405 16.0654 17.8572 17.8761 k = 0.0828 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3674 -29.3674 -10.5502 -10.5469 -9.2578 -9.2555 -8.9824 -8.9751 -1.5211 -1.5189 4.2197 4.2221 7.3228 7.3440 7.5258 7.5336 8.3343 8.3491 9.8377 9.8450 10.4539 10.4770 11.1372 11.1787 11.9446 11.9566 12.2398 12.2514 12.6783 12.6875 15.7143 15.7215 16.0573 16.0855 17.8724 17.8937 k = 0.0946 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3672 -29.3672 -10.5506 -10.5469 -9.2571 -9.2546 -8.9858 -8.9776 -1.5189 -1.5164 4.2147 4.2174 7.3339 7.3582 7.5155 7.5245 8.3125 8.3287 9.8797 9.8876 10.4253 10.4486 11.1700 11.2143 11.9171 11.9324 12.2266 12.2372 12.6827 12.6934 15.6821 15.6901 16.0763 16.1073 17.8892 17.9125 k = 0.1064 0.5210 0.5314 ( 1718 PWs) bands (ev): -29.3670 -29.3670 -10.5511 -10.5470 -9.2564 -9.2535 -8.9895 -8.9804 -1.5164 -1.5136 4.2094 4.2125 7.3461 7.3737 7.5039 7.5141 8.2901 8.3077 9.9245 9.9329 10.3968 10.4202 11.2035 11.2504 11.8848 11.9034 12.2150 12.2241 12.6878 12.7002 15.6473 15.6562 16.0974 16.1308 17.9073 17.9323 k = 0.1183 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3667 -29.3667 -10.5516 -10.5471 -9.2556 -9.2524 -8.9936 -8.9835 -1.5136 -1.5106 4.2039 4.2073 7.3592 7.3902 7.4909 7.5025 8.2677 8.2864 9.9713 9.9802 10.3689 10.3922 11.2374 11.2866 11.8480 11.8700 12.2051 12.2126 12.6938 12.7079 15.6106 15.6201 16.1201 16.1557 17.9262 17.9526 k = 0.1301 0.5210 0.5314 ( 1722 PWs) bands (ev): -29.3664 -29.3664 -10.5521 -10.5472 -9.2547 -9.2512 -8.9978 -8.9869 -1.5107 -1.5074 4.1983 4.2020 7.3727 7.4073 7.4767 7.4900 8.2456 8.2653 10.0195 10.0288 10.3419 10.3651 11.2713 11.3228 11.8076 11.8326 12.1971 12.2027 12.7006 12.7165 15.5722 15.5824 16.1445 16.1818 17.9457 17.9732 k = 0.1419 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3661 -29.3661 -10.5526 -10.5474 -9.2537 -9.2499 -9.0023 -8.9905 -1.5076 -1.5040 4.1927 4.1968 7.3858 7.4240 7.4622 7.4770 8.2242 8.2448 10.0681 10.0780 10.3160 10.3392 11.3048 11.3585 11.7643 11.7918 12.1905 12.1943 12.7083 12.7261 15.5326 15.5435 16.1702 16.2088 17.9654 17.9938 k = 0.1537 0.5210 0.5314 ( 1726 PWs) bands (ev): -29.3657 -29.3657 -10.5532 -10.5476 -9.2527 -9.2486 -9.0070 -8.9944 -1.5043 -1.5005 4.1873 4.1916 7.3966 7.4319 7.4554 7.4654 8.2037 8.2250 10.1162 10.1271 10.2915 10.3151 11.3378 11.3936 11.7191 11.7487 12.1851 12.1874 12.7168 12.7366 15.4923 15.5039 16.1972 16.2368 17.9850 18.0141 k = 0.1656 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3654 -29.3654 -10.5538 -10.5478 -9.2517 -9.2473 -9.0118 -8.9984 -1.5009 -1.4969 4.1822 4.1868 7.4007 7.4183 7.4594 7.4690 8.1845 8.2064 10.1623 10.1748 10.2691 10.2937 11.3697 11.4279 11.6732 11.7041 12.1809 12.1817 12.7263 12.7480 15.4516 15.4639 16.2252 16.2656 18.0041 18.0338 k = 0.1774 0.5210 0.5314 ( 1726 PWs) bands (ev): -29.3650 -29.3650 -10.5544 -10.5481 -9.2506 -9.2459 -9.0167 -9.0025 -1.4974 -1.4932 4.1774 4.1824 7.3932 7.3984 7.4635 7.4875 8.1666 8.1889 10.2025 10.2171 10.2522 10.2783 11.4003 11.4611 11.6277 11.6592 12.1769 12.1775 12.7366 12.7604 15.4108 15.4238 16.2543 16.2951 18.0224 18.0525 k = 0.1892 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3646 -29.3646 -10.5550 -10.5485 -9.2495 -9.2446 -9.0217 -9.0068 -1.4939 -1.4895 4.1733 4.1785 7.3761 7.3767 7.4749 7.5067 8.1502 8.1729 10.2213 10.2222 10.2730 10.2830 11.4285 11.4928 11.5846 11.6152 12.1729 12.1748 12.7477 12.7737 15.3703 15.3841 16.2844 16.3253 18.0396 18.0699 k = 0.2010 0.5210 0.5314 ( 1722 PWs) bands (ev): -29.3643 -29.3642 -10.5557 -10.5489 -9.2484 -9.2432 -9.0267 -9.0111 -1.4904 -1.4858 4.1698 4.1753 7.3520 7.3555 7.4894 7.5260 8.1355 8.1583 10.2055 10.2158 10.3125 10.3125 11.4514 11.5216 11.5477 11.5745 12.1696 12.1726 12.7595 12.7877 15.3305 15.3451 16.3154 16.3562 18.0551 18.0855 k = 0.2129 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3639 -29.3639 -10.5563 -10.5493 -9.2473 -9.2419 -9.0316 -9.0155 -1.4868 -1.4820 4.1671 4.1729 7.3263 7.3313 7.5048 7.5448 8.1224 8.1453 10.1901 10.2029 10.3463 10.3496 11.4578 11.5240 11.5293 11.5619 12.1668 12.1708 12.7721 12.8025 15.2916 15.3071 16.3473 16.3877 18.0685 18.0990 k = 0.2247 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3635 -29.3634 -10.5570 -10.5497 -9.2463 -9.2406 -9.0365 -9.0199 -1.4833 -1.4783 4.1654 4.1714 7.2990 7.3049 7.5203 7.5631 8.1109 8.1338 10.1763 10.1901 10.3770 10.3819 11.4393 11.4916 11.5387 11.5864 12.1644 12.1694 12.7851 12.8179 15.2539 15.2704 16.3801 16.4200 18.0794 18.1099 k = 0.2365 0.5210 0.5314 ( 1712 PWs) bands (ev): -29.3630 -29.3630 -10.5577 -10.5502 -9.2452 -9.2394 -9.0414 -9.0242 -1.4798 -1.4748 4.1648 4.1710 7.2701 7.2767 7.5356 7.5806 8.1011 8.1239 10.1645 10.1787 10.4023 10.4083 11.4137 11.4609 11.5593 11.6127 12.1624 12.1682 12.7985 12.8336 15.2178 15.2352 16.4138 16.4531 18.0874 18.1179 k = 0.2484 0.5210 0.5314 ( 1710 PWs) bands (ev): -29.3626 -29.3626 -10.5584 -10.5507 -9.2443 -9.2382 -9.0460 -9.0285 -1.4765 -1.4713 4.1653 4.1717 7.2399 7.2468 7.5502 7.5970 8.0930 8.1156 10.1548 10.1691 10.4209 10.4280 11.3911 11.4357 11.5819 11.6381 12.1606 12.1673 12.8120 12.8494 15.1835 15.2018 16.4484 16.4869 18.0924 18.1228 k = 0.2602 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3622 -29.3622 -10.5591 -10.5513 -9.2434 -9.2371 -9.0506 -9.0326 -1.4733 -1.4680 4.1671 4.1737 7.2083 7.2154 7.5639 7.6123 8.0864 8.1087 10.1472 10.1616 10.4319 10.4401 11.3743 11.4169 11.6044 11.6622 12.1591 12.1664 12.8253 12.8651 15.1513 15.1705 16.4839 16.5215 18.0941 18.1245 k = 0.2720 0.5210 0.5314 ( 1716 PWs) bands (ev): -29.3618 -29.3618 -10.5598 -10.5519 -9.2426 -9.2362 -9.0549 -9.0367 -1.4702 -1.4649 4.1703 4.1771 7.1756 7.1826 7.5765 7.6262 8.0812 8.1032 10.1418 10.1563 10.4349 10.4444 11.3646 11.4052 11.6262 11.6850 12.1577 12.1657 12.8383 12.8804 15.1214 15.1415 16.5203 16.5569 18.0928 18.1231 k = 0.2838 0.5210 0.5314 ( 1716 PWs) bands (ev): -29.3615 -29.3615 -10.5604 -10.5525 -9.2418 -9.2353 -9.0589 -9.0405 -1.4673 -1.4620 4.1750 4.1820 7.1417 7.1487 7.5880 7.6387 8.0775 8.0992 10.1385 10.1530 10.4302 10.4409 11.3620 11.4007 11.6471 11.7064 12.1565 12.1651 12.8507 12.8949 15.0940 15.1150 16.5574 16.5930 18.0886 18.1188 k = 0.2957 0.5210 0.5314 ( 1724 PWs) bands (ev): -29.3611 -29.3611 -10.5611 -10.5531 -9.2412 -9.2346 -9.0627 -9.0442 -1.4646 -1.4592 4.1812 4.1883 7.1068 7.1137 7.5982 7.6496 8.0751 8.0964 10.1372 10.1518 10.4182 10.4300 11.3660 11.4029 11.6670 11.7266 12.1555 12.1645 12.8620 12.9082 15.0693 15.0910 16.5952 16.6298 18.0819 18.1119 k = 0.3075 0.5210 0.5314 ( 1722 PWs) bands (ev): -29.3607 -29.3607 -10.5618 -10.5537 -9.2406 -9.2340 -9.0662 -9.0476 -1.4622 -1.4568 4.1890 4.1963 7.0711 7.0778 7.6070 7.6589 8.0739 8.0948 10.1379 10.1526 10.4001 10.4129 11.3759 11.4110 11.6859 11.7457 12.1546 12.1641 12.8721 12.9201 15.0475 15.0698 16.6337 16.6671 18.0730 18.1028 k = 0.3193 0.5210 0.5314 ( 1718 PWs) bands (ev): -29.3604 -29.3604 -10.5624 -10.5544 -9.2401 -9.2336 -9.0694 -9.0508 -1.4599 -1.4545 4.1985 4.2059 7.0346 7.0412 7.6144 7.6666 8.0739 8.0943 10.1405 10.1553 10.3770 10.3905 11.3906 11.4241 11.7040 11.7636 12.1539 12.1637 12.8807 12.9302 15.0285 15.0513 16.6725 16.7049 18.0624 18.0919 k = 0.3311 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3600 -29.3600 -10.5630 -10.5550 -9.2398 -9.2333 -9.0722 -9.0538 -1.4579 -1.4525 4.2097 4.2171 6.9976 7.0039 7.6204 7.6725 8.0748 8.0948 10.1448 10.1596 10.3502 10.3641 11.4090 11.4411 11.7211 11.7805 12.1533 12.1634 12.8875 12.9382 15.0124 15.0356 16.7114 16.7428 18.0505 18.0795 k = 0.3430 0.5210 0.5314 ( 1714 PWs) bands (ev): -29.3597 -29.3597 -10.5635 -10.5556 -9.2395 -9.2331 -9.0747 -9.0564 -1.4562 -1.4508 4.2226 4.2301 6.9601 6.9662 7.6248 7.6766 8.0767 8.0962 10.1506 10.1652 10.3207 10.3346 11.4299 11.4607 11.7375 11.7964 12.1528 12.1631 12.8924 12.9440 14.9991 15.0223 16.7502 16.7806 18.0377 18.0661 k = 0.3548 0.5210 0.5314 ( 1710 PWs) bands (ev): -29.3594 -29.3594 -10.5641 -10.5562 -9.2394 -9.2331 -9.0768 -9.0588 -1.4547 -1.4494 4.2372 4.2447 6.9224 6.9282 7.6278 7.6791 8.0793 8.0984 10.1577 10.1718 10.2900 10.3034 11.4525 11.4822 11.7532 11.8114 12.1526 12.1630 12.8950 12.9471 14.9884 15.0114 16.7884 16.8179 18.0245 18.0522 k = 0.3666 0.5210 0.5314 ( 1706 PWs) bands (ev): -29.3592 -29.3592 -10.5645 -10.5568 -9.2393 -9.2332 -9.0786 -9.0609 -1.4534 -1.4483 4.2534 4.2610 6.8846 6.8900 7.6294 7.6799 8.0827 8.1013 10.1654 10.1782 10.2599 10.2715 11.4761 11.5049 11.7681 11.8256 12.1525 12.1630 12.8955 12.9477 14.9798 15.0024 16.8257 16.8542 18.0114 18.0383 k = 0.3784 0.5210 0.5314 ( 1708 PWs) bands (ev): -29.3589 -29.3589 -10.5650 -10.5574 -9.2394 -9.2334 -9.0800 -9.0628 -1.4525 -1.4474 4.2713 4.2789 6.8468 6.8519 7.6295 7.6790 8.0867 8.1048 10.1725 10.1806 10.2343 10.2409 11.4999 11.5279 11.7823 11.8389 12.1527 12.1631 12.8937 12.9457 14.9729 14.9949 16.8613 16.8891 17.9990 18.0249 k = 0.3903 0.5210 0.5314 ( 1706 PWs) bands (ev): -29.3587 -29.3587 -10.5653 -10.5580 -9.2395 -9.2337 -9.0811 -9.0643 -1.4518 -1.4468 4.2909 4.2984 6.8092 6.8140 7.6282 7.6766 8.0912 8.1089 10.1693 10.1731 10.2177 10.2237 11.5236 11.5510 11.7959 11.8514 12.1531 12.1634 12.8898 12.9411 14.9673 14.9884 16.8947 16.9218 17.9878 18.0125 k = 0.3903 0.5210 0.5314 ( 1706 PWs) bands (ev): -29.3587 -29.3587 -10.5653 -10.5580 -9.2395 -9.2337 -9.0811 -9.0643 -1.4518 -1.4468 4.2909 4.2984 6.8092 6.8140 7.6282 7.6766 8.0912 8.1089 10.1693 10.1731 10.2177 10.2237 11.5236 11.5510 11.7959 11.8514 12.1531 12.1634 12.8898 12.9411 14.9673 14.9884 16.8947 16.9218 17.9878 18.0125 k = 0.3832 0.5115 0.5314 ( 1706 PWs) bands (ev): -29.3590 -29.3590 -10.5647 -10.5571 -9.2392 -9.2331 -9.0795 -9.0619 -1.4528 -1.4476 4.2580 4.2656 6.8712 6.8766 7.6312 7.6815 8.0830 8.1014 10.1670 10.1790 10.2513 10.2624 11.4838 11.5120 11.7734 11.8306 12.1523 12.1628 12.8970 12.9496 14.9778 15.0004 16.8412 16.8693 18.0072 18.0340 k = 0.3761 0.5021 0.5314 ( 1706 PWs) bands (ev): -29.3594 -29.3594 -10.5641 -10.5562 -9.2390 -9.2325 -9.0777 -9.0594 -1.4539 -1.4485 4.2273 4.2349 6.9322 6.9380 7.6335 7.6856 8.0742 8.0933 10.1507 10.1653 10.3060 10.3212 11.4426 11.4714 11.7501 11.8088 12.1516 12.1624 12.9020 12.9555 14.9920 15.0161 16.7875 16.8168 18.0305 18.0594 k = 0.3690 0.4926 0.5314 ( 1710 PWs) bands (ev): -29.3598 -29.3598 -10.5634 -10.5553 -9.2388 -9.2320 -9.0757 -9.0567 -1.4550 -1.4495 4.1989 4.2064 6.9921 6.9983 7.6350 7.6885 8.0649 8.0846 10.1335 10.1486 10.3675 10.3849 11.4000 11.4291 11.7262 11.7861 12.1511 12.1621 12.9045 12.9586 15.0104 15.0357 16.7339 16.7643 18.0579 18.0887 k = 0.3619 0.4831 0.5314 ( 1714 PWs) bands (ev): -29.3602 -29.3602 -10.5627 -10.5543 -9.2386 -9.2315 -9.0735 -9.0539 -1.4563 -1.4507 4.1729 4.1803 7.0506 7.0571 7.6355 7.6903 8.0549 8.0752 10.1167 10.1318 10.4327 10.4523 11.3565 11.3854 11.7019 11.7626 12.1508 12.1620 12.9042 12.9584 15.0334 15.0598 16.6804 16.7119 18.0891 18.1217 k = 0.3548 0.4737 0.5314 ( 1718 PWs) bands (ev): -29.3606 -29.3606 -10.5620 -10.5534 -9.2385 -9.2311 -9.0711 -9.0510 -1.4577 -1.4520 4.1494 4.1567 7.1076 7.1144 7.6350 7.6906 8.0445 8.0652 10.1007 10.1156 10.5008 10.5229 11.3123 11.3405 11.6772 11.7384 12.1508 12.1621 12.9008 12.9548 15.0614 15.0886 16.6272 16.6598 18.1239 18.1579 k = 0.3477 0.4642 0.5314 ( 1722 PWs) bands (ev): -29.3610 -29.3610 -10.5612 -10.5525 -9.2383 -9.2307 -9.0685 -9.0479 -1.4592 -1.4533 4.1286 4.1357 7.1630 7.1699 7.6333 7.6894 8.0335 8.0546 10.0857 10.1004 10.5711 10.5963 11.2678 11.2946 11.6523 11.7138 12.1512 12.1625 12.8941 12.9477 15.0947 15.1225 16.5742 16.6080 18.1621 18.1967 k = 0.3406 0.4547 0.5314 ( 1726 PWs) bands (ev): -29.3615 -29.3615 -10.5604 -10.5516 -9.2382 -9.2304 -9.0657 -9.0447 -1.4608 -1.4548 4.1104 4.1173 7.2168 7.2235 7.6302 7.6865 8.0219 8.0434 10.0721 10.0864 10.6429 10.6724 11.2236 11.2477 11.6274 11.6887 12.1519 12.1633 12.8842 12.9370 15.1335 15.1616 16.5216 16.5564 18.2033 18.2368 k = 0.3335 0.4452 0.5314 ( 1726 PWs) bands (ev): -29.3619 -29.3619 -10.5595 -10.5506 -9.2381 -9.2301 -9.0627 -9.0413 -1.4624 -1.4564 4.0949 4.1016 7.2687 7.2752 7.6258 7.6817 8.0098 8.0316 10.0598 10.0738 10.7150 10.7506 11.1809 11.2002 11.6025 11.6633 12.1531 12.1645 12.8710 12.9228 15.1778 15.2061 16.4692 16.5053 18.2467 18.2733 k = 0.3264 0.4358 0.5314 ( 1726 PWs) bands (ev): -29.3624 -29.3624 -10.5587 -10.5497 -9.2381 -9.2298 -9.0594 -9.0378 -1.4641 -1.4581 4.0821 4.0886 7.3189 7.3248 7.6200 7.6751 7.9973 8.0192 10.0491 10.0627 10.7850 10.8308 11.1417 11.1523 11.5778 11.6378 12.1548 12.1661 12.8546 12.9052 15.2276 15.2559 16.4171 16.4544 18.2866 18.2903 k = 0.3193 0.4263 0.5314 ( 1724 PWs) bands (ev): -29.3629 -29.3629 -10.5578 -10.5488 -9.2380 -9.2297 -9.0560 -9.0341 -1.4659 -1.4599 4.0721 4.0783 7.3672 7.3721 7.6128 7.6664 7.9842 8.0063 10.0399 10.0531 10.8472 10.9120 11.1045 11.1116 11.5535 11.6123 12.1570 12.1683 12.8351 12.8845 15.2828 15.3110 16.3653 16.4039 18.2755 18.2779 k = 0.3122 0.4168 0.5314 ( 1724 PWs) bands (ev): -29.3634 -29.3634 -10.5569 -10.5479 -9.2380 -9.2296 -9.0523 -9.0303 -1.4678 -1.4617 4.0648 4.0707 7.4137 7.4168 7.6045 7.6557 7.9708 7.9928 10.0324 10.0452 10.8882 10.9913 11.0595 11.1036 11.5296 11.5868 12.1599 12.1711 12.8128 12.8608 15.3432 15.3712 16.3137 16.3537 18.2436 18.2452 k = 0.3051 0.4073 0.5314 ( 1724 PWs) bands (ev): -29.3639 -29.3639 -10.5560 -10.5470 -9.2381 -9.2295 -9.0485 -9.0264 -1.4697 -1.4637 4.0602 4.0659 7.4579 7.4583 7.5958 7.6429 7.9569 7.9788 10.0266 10.0389 10.8929 11.0008 11.0850 11.1325 11.5063 11.5616 12.1636 12.1747 12.7880 12.8345 15.4085 15.4363 16.2623 16.3038 18.2053 18.2088 k = 0.2980 0.3979 0.5314 ( 1712 PWs) bands (ev): -29.3644 -29.3644 -10.5550 -10.5461 -9.2381 -9.2295 -9.0444 -9.0224 -1.4716 -1.4656 4.0584 4.0637 7.4932 7.5010 7.5892 7.6279 7.9428 7.9644 10.0225 10.0344 10.8694 10.9551 11.1661 11.1902 11.4839 11.5369 12.1683 12.1793 12.7608 12.8061 15.4785 15.5061 16.2110 16.2540 18.1643 18.1686 k = 0.2909 0.3884 0.5314 ( 1712 PWs) bands (ev): -29.3650 -29.3650 -10.5541 -10.5453 -9.2382 -9.2295 -9.0402 -9.0182 -1.4736 -1.4677 4.0592 4.0641 7.5155 7.5416 7.5915 7.6110 7.9283 7.9494 10.0201 10.0314 10.8334 10.9076 11.2485 11.2599 11.4625 11.5129 12.1742 12.1849 12.7317 12.7757 15.5528 15.5801 16.1598 16.2045 18.1209 18.1252 k = 0.2838 0.3789 0.5314 ( 1708 PWs) bands (ev): -29.3655 -29.3655 -10.5532 -10.5444 -9.2383 -9.2296 -9.0358 -9.0140 -1.4755 -1.4697 4.0625 4.0671 7.5172 7.5778 7.5945 7.6103 7.9137 7.9341 10.0193 10.0300 10.7927 10.8604 11.3290 11.3325 11.4435 11.4904 12.1816 12.1918 12.7011 12.7439 15.6309 15.6579 16.1085 16.1550 18.0749 18.0789 k = 0.2767 0.3694 0.5314 ( 1716 PWs) bands (ev): -29.3661 -29.3661 -10.5522 -10.5437 -9.2384 -9.2297 -9.0313 -9.0097 -1.4775 -1.4718 4.0684 4.0726 7.5053 7.5687 7.6192 7.6386 7.8990 7.9183 10.0200 10.0301 10.7503 10.8138 11.3931 11.4018 11.4380 11.4744 12.1907 12.2005 12.6691 12.7109 15.7124 15.7393 16.0571 16.1055 18.0261 18.0295 k = 0.2696 0.3600 0.5314 ( 1720 PWs) bands (ev): -29.3666 -29.3666 -10.5513 -10.5429 -9.2385 -9.2299 -9.0266 -9.0052 -1.4794 -1.4738 4.0768 4.0806 7.4874 7.5458 7.6538 7.6687 7.8844 7.9022 10.0222 10.0316 10.7076 10.7682 11.3938 11.4264 11.4922 11.5046 12.2021 12.2112 12.6361 12.6772 15.7968 15.8236 16.0055 16.0560 17.9743 17.9768 k = 0.2625 0.3505 0.5314 ( 1724 PWs) bands (ev): -29.3672 -29.3672 -10.5504 -10.5422 -9.2387 -9.2301 -9.0218 -9.0007 -1.4813 -1.4758 4.0875 4.0910 7.4660 7.5207 7.6867 7.6976 7.8705 7.8859 10.0258 10.0342 10.6655 10.7238 11.3783 11.4105 11.5612 11.5727 12.2164 12.2245 12.6026 12.6432 15.8836 15.9102 15.9537 16.0064 17.9192 17.9206 k = 0.2554 0.3410 0.5314 ( 1728 PWs) bands (ev): -29.3678 -29.3678 -10.5496 -10.5415 -9.2388 -9.2304 -9.0168 -8.9961 -1.4832 -1.4778 4.1006 4.1036 7.4423 7.4937 7.7175 7.7236 7.8579 7.8695 10.0306 10.0381 10.6244 10.6807 11.3622 11.3903 11.6279 11.6410 12.2342 12.2410 12.5689 12.6092 15.9013 15.9556 15.9723 15.9998 17.8606 17.8607 k = 0.2484 0.3316 0.5314 ( 1728 PWs) bands (ev): -29.3683 -29.3683 -10.5487 -10.5408 -9.2390 -9.2306 -9.0118 -8.9914 -1.4850 -1.4797 4.1159 4.1185 7.4166 7.4650 7.7447 7.7456 7.8485 7.8536 10.0365 10.0428 10.5847 10.6394 11.3470 11.3701 11.6899 11.7046 12.2563 12.2614 12.5354 12.5757 15.8485 15.9057 16.0622 16.0894 17.7969 17.7981 k = 0.2413 0.3221 0.5314 ( 1728 PWs) bands (ev): -29.3689 -29.3689 -10.5478 -10.5402 -9.2392 -9.2309 -9.0066 -8.9867 -1.4867 -1.4816 4.1333 4.1355 7.3892 7.4348 7.7575 7.7699 7.8394 7.8454 10.0435 10.0484 10.5467 10.5999 11.3328 11.3502 11.7459 11.7616 12.2831 12.2861 12.5023 12.5431 15.7951 15.8550 16.1527 16.1800 17.7289 17.7315 k = 0.2342 0.3126 0.5314 ( 1728 PWs) bands (ev): -29.3695 -29.3695 -10.5470 -10.5396 -9.2393 -9.2312 -9.0013 -8.9819 -1.4883 -1.4833 4.1527 4.1545 7.3604 7.4032 7.7591 7.7849 7.8321 7.8514 10.0512 10.0546 10.5107 10.5624 11.3198 11.3310 11.7950 11.8113 12.3148 12.3154 12.4703 12.5121 15.7410 15.8036 16.2431 16.2706 17.6567 17.6607 k = 0.2271 0.3031 0.5314 ( 1728 PWs) bands (ev): -29.3701 -29.3701 -10.5462 -10.5390 -9.2395 -9.2316 -8.9960 -8.9771 -1.4898 -1.4850 4.1740 4.1754 7.3302 7.3705 7.7516 7.7821 7.8405 7.8645 10.0595 10.0613 10.4768 10.5272 11.3078 11.3126 11.8367 11.8533 12.3489 12.3502 12.4401 12.4840 15.6860 15.7516 16.3325 16.3603 17.5803 17.5856 k = 0.2200 0.2937 0.5314 ( 1728 PWs) bands (ev): -29.3706 -29.3706 -10.5454 -10.5385 -9.2396 -9.2319 -8.9906 -8.9723 -1.4912 -1.4866 4.1971 4.1981 7.2989 7.3366 7.7391 7.7684 7.8575 7.8803 10.0682 10.0683 10.4453 10.4944 11.2949 11.2970 11.8713 11.8879 12.3816 12.3840 12.4163 12.4637 15.6301 15.6987 16.4202 16.4481 17.4999 17.5063 k = 0.2129 0.2842 0.5314 ( 1728 PWs) bands (ev): -29.3712 -29.3712 -10.5447 -10.5380 -9.2398 -9.2322 -8.9852 -8.9674 -1.4925 -1.4880 4.2218 4.2225 7.2667 7.3019 7.7242 7.7514 7.8756 7.8964 10.0754 10.0775 10.4165 10.4642 11.2780 11.2871 11.8993 11.9159 12.3759 12.3961 12.4361 12.4706 15.5732 15.6449 16.5053 16.5333 17.4159 17.4232 k = 0.2058 0.2747 0.5314 ( 1728 PWs) bands (ev): -29.3718 -29.3718 -10.5440 -10.5376 -9.2399 -9.2326 -8.9798 -8.9626 -1.4936 -1.4893 4.2481 4.2483 7.2337 7.2665 7.7079 7.7332 7.8927 7.9117 10.0826 10.0869 10.3903 10.4367 11.2617 11.2780 11.9217 11.9385 12.3524 12.3820 12.4780 12.5080 15.5151 15.5900 16.5868 16.6147 17.3285 17.3367 k = 0.1987 0.2652 0.5314 ( 1728 PWs) bands (ev): -29.3724 -29.3724 -10.5433 -10.5372 -9.2400 -9.2329 -8.9743 -8.9578 -1.4946 -1.4905 4.2756 4.2757 7.2000 7.2305 7.6909 7.7144 7.9082 7.9257 10.0897 10.0963 10.3671 10.4120 11.2461 11.2696 11.9395 11.9568 12.3298 12.3624 12.5225 12.5544 15.4559 15.5341 16.6637 16.6914 17.2383 17.2471 k = 0.1916 0.2558 0.5314 ( 1728 PWs) bands (ev): -29.3729 -29.3729 -10.5427 -10.5368 -9.2401 -9.2333 -8.9689 -8.9529 -1.4955 -1.4916 4.3041 4.3046 7.1659 7.1942 7.6734 7.6952 7.9219 7.9381 10.0965 10.1055 10.3468 10.3903 11.2310 11.2617 11.9536 11.9716 12.3098 12.3436 12.5672 12.6025 15.3955 15.4770 16.7352 16.7624 17.1458 17.1550 k = 0.1845 0.2463 0.5314 ( 1724 PWs) bands (ev): -29.3735 -29.3735 -10.5421 -10.5365 -9.2402 -9.2336 -8.9634 -8.9482 -1.4962 -1.4925 4.3337 4.3345 7.1315 7.1576 7.6555 7.6758 7.9339 7.9488 10.1032 10.1146 10.3296 10.3716 11.2163 11.2540 11.9649 11.9838 12.2928 12.3269 12.6109 12.6502 15.3339 15.4186 16.8004 16.8265 17.0515 17.0612 k = 0.1774 0.2368 0.5314 ( 1724 PWs) bands (ev): -29.3740 -29.3740 -10.5416 -10.5363 -9.2403 -9.2339 -8.9580 -8.9434 -1.4968 -1.4932 4.3643 4.3655 7.0969 7.1210 7.6373 7.6561 7.9440 7.9578 10.1095 10.1234 10.3155 10.3560 11.2019 11.2462 11.9739 11.9940 12.2791 12.3132 12.6530 12.6965 15.2710 15.3589 16.8582 16.8818 16.9564 16.9676 k = 0.1703 0.2274 0.5314 ( 1720 PWs) bands (ev): -29.3746 -29.3746 -10.5411 -10.5360 -9.2404 -9.2342 -8.9527 -8.9387 -1.4972 -1.4938 4.3957 4.3972 7.0623 7.0845 7.6189 7.6362 7.9524 7.9650 10.1156 10.1318 10.3046 10.3435 11.1878 11.2382 11.9814 12.0027 12.2689 12.3026 12.6929 12.7406 15.2069 15.2979 16.8562 16.8632 16.9128 16.9392 k = 0.1632 0.2179 0.5314 ( 1720 PWs) bands (ev): -29.3751 -29.3751 -10.5406 -10.5358 -9.2404 -9.2345 -8.9474 -8.9341 -1.4975 -1.4943 4.4277 4.4295 7.0280 7.0482 7.6003 7.6162 7.9590 7.9706 10.1212 10.1398 10.2967 10.3339 11.1738 11.2297 11.9878 12.0101 12.2625 12.2955 12.7302 12.7821 15.1416 15.2356 16.7605 16.7683 16.9550 16.9789 k = 0.1561 0.2084 0.5314 ( 1724 PWs) bands (ev): -29.3756 -29.3756 -10.5402 -10.5357 -9.2404 -9.2348 -8.9422 -8.9296 -1.4977 -1.4947 4.4602 4.4623 6.9939 7.0124 7.5816 7.5961 7.9640 7.9745 10.1264 10.1473 10.2918 10.3274 11.1598 11.2204 11.9934 12.0165 12.2597 12.2920 12.7648 12.8208 15.0752 15.1721 16.6633 16.6711 16.9912 17.0131 k = 0.1490 0.1989 0.5314 ( 1724 PWs) bands (ev): -29.3761 -29.3761 -10.5398 -10.5355 -9.2404 -9.2351 -8.9372 -8.9252 -1.4977 -1.4949 4.4931 4.4955 6.9602 6.9771 7.5628 7.5759 7.9675 7.9770 10.1313 10.1543 10.2900 10.3238 11.1457 11.2103 11.9987 12.0222 12.2607 12.2922 12.7966 12.8566 15.0079 15.1074 16.5663 16.5739 17.0207 17.0407 k = 0.1419 0.1895 0.5314 ( 1724 PWs) bands (ev): -29.3766 -29.3766 -10.5394 -10.5355 -9.2404 -9.2353 -8.9322 -8.9209 -1.4977 -1.4950 4.5262 4.5287 6.9272 6.9424 7.5440 7.5558 7.9696 7.9782 10.1358 10.1608 10.2909 10.3229 11.1315 11.1992 12.0037 12.0271 12.2653 12.2960 12.8257 12.8896 14.9398 15.0417 16.4699 16.4771 17.0440 17.0620 k = 0.1348 0.1800 0.5314 ( 1724 PWs) bands (ev): -29.3771 -29.3771 -10.5391 -10.5354 -9.2403 -9.2355 -8.9273 -8.9167 -1.4975 -1.4950 4.5592 4.5620 6.8948 6.9086 7.5252 7.5357 7.9705 7.9781 10.1401 10.1667 10.2945 10.3247 11.1173 11.1872 12.0085 12.0316 12.2736 12.3035 12.8520 12.9196 14.8711 14.9752 16.3745 16.3812 17.0617 17.0779 k = 0.1277 0.1705 0.5314 ( 1720 PWs) bands (ev): -29.3775 -29.3775 -10.5388 -10.5354 -9.2403 -9.2357 -8.9226 -8.9126 -1.4972 -1.4948 4.5921 4.5951 6.8633 6.8758 7.5065 7.5157 7.9703 7.9770 10.1441 10.1721 10.3005 10.3288 11.1031 11.1743 12.0134 12.0357 12.2854 12.3144 12.8759 12.9470 14.8020 14.9080 16.2803 16.2866 17.0746 17.0890 k = 0.1206 0.1610 0.5314 ( 1716 PWs) bands (ev): -29.3780 -29.3780 -10.5386 -10.5354 -9.2402 -9.2359 -8.9180 -8.9087 -1.4968 -1.4946 4.6247 4.6278 6.8328 6.8440 7.4879 7.4959 7.9691 7.9750 10.1479 10.1771 10.3087 10.3352 11.0889 11.1605 12.0184 12.0394 12.3004 12.3285 12.8974 12.9718 14.7329 14.8403 16.1878 16.1936 17.0835 17.0962 k = 0.1135 0.1516 0.5314 ( 1720 PWs) bands (ev): -29.3784 -29.3784 -10.5384 -10.5354 -9.2401 -9.2361 -8.9137 -8.9050 -1.4963 -1.4943 4.6567 4.6598 6.8034 6.8134 7.4694 7.4763 7.9672 7.9723 10.1515 10.1815 10.3188 10.3434 11.0747 11.1459 12.0231 12.0428 12.3184 12.3456 12.9169 12.9942 14.6639 14.7724 16.0972 16.1025 17.0890 17.1002 k = 0.1064 0.1421 0.5314 ( 1720 PWs) bands (ev): -29.3788 -29.3788 -10.5382 -10.5354 -9.2400 -9.2363 -8.9095 -8.9014 -1.4958 -1.4939 4.6880 4.6912 6.7752 6.7841 7.4513 7.4571 7.9646 7.9689 10.1550 10.1855 10.3306 10.3533 11.0607 11.1309 12.0279 12.0460 12.3392 12.3652 12.9346 13.0145 14.5954 14.7046 16.0088 16.0136 17.0918 17.1017 k = 0.0993 0.1326 0.5314 ( 1716 PWs) bands (ev): -29.3792 -29.3792 -10.5380 -10.5355 -9.2399 -9.2364 -8.9054 -8.8980 -1.4952 -1.4934 4.7185 4.7217 6.7483 6.7562 7.4335 7.4384 7.9615 7.9651 10.1584 10.1891 10.3438 10.3646 11.0471 11.1155 12.0325 12.0491 12.3623 12.3871 12.9509 13.0329 14.5279 14.6373 15.9231 15.9275 17.0926 17.1012 k = 0.0922 0.1231 0.5314 ( 1716 PWs) bands (ev): -29.3795 -29.3795 -10.5379 -10.5356 -9.2398 -9.2366 -8.9016 -8.8948 -1.4945 -1.4930 4.7479 4.7511 6.7228 6.7298 7.4161 7.4202 7.9580 7.9611 10.1618 10.1922 10.3580 10.3770 11.0338 11.0998 12.0370 12.0520 12.3874 12.4108 12.9661 13.0496 14.4616 14.5706 15.8404 15.8443 17.0917 17.0992 k = 0.0851 0.1137 0.5314 ( 1716 PWs) bands (ev): -29.3799 -29.3799 -10.5378 -10.5357 -9.2396 -9.2367 -8.8981 -8.8918 -1.4939 -1.4925 4.7761 4.7793 6.6988 6.7049 7.3994 7.4026 7.9544 7.9568 10.1650 10.1949 10.3729 10.3901 11.0212 11.0841 12.0413 12.0548 12.4138 12.4357 12.9804 13.0648 14.3971 14.5051 15.7610 15.7645 17.0896 17.0962 k = 0.0781 0.1042 0.5314 ( 1720 PWs) bands (ev): -29.3802 -29.3802 -10.5377 -10.5358 -9.2395 -9.2368 -8.8947 -8.8890 -1.4932 -1.4919 4.8028 4.8060 6.6764 6.6818 7.3833 7.3858 7.9505 7.9525 10.1682 10.1972 10.3882 10.4037 11.0092 11.0687 12.0454 12.0574 12.4413 12.4616 12.9941 13.0787 14.3349 14.4410 15.6854 15.6884 17.0867 17.0924 k = 0.0710 0.0947 0.5314 ( 1724 PWs) bands (ev): -29.3805 -29.3805 -10.5376 -10.5359 -9.2393 -9.2369 -8.8916 -8.8865 -1.4926 -1.4914 4.8280 4.8310 6.6557 6.6604 7.3680 7.3699 7.9468 7.9483 10.1713 10.1991 10.4036 10.4174 10.9980 11.0536 12.0493 12.0599 12.4691 12.4877 13.0075 13.0914 14.2754 14.3788 15.6140 15.6166 17.0833 17.0882 k = 0.0639 0.0853 0.5314 ( 1720 PWs) bands (ev): -29.3807 -29.3807 -10.5375 -10.5360 -9.2392 -9.2370 -8.8887 -8.8842 -1.4919 -1.4909 4.8514 4.8543 6.6367 6.6408 7.3536 7.3550 7.9431 7.9443 10.1746 10.2007 10.4188 10.4309 10.9879 11.0391 12.0529 12.0623 12.4969 12.5138 13.0207 13.1030 14.2193 14.3191 15.5473 15.5495 17.0796 17.0838 k = 0.0568 0.0758 0.5314 ( 1720 PWs) bands (ev): -29.3810 -29.3810 -10.5374 -10.5361 -9.2390 -9.2371 -8.8861 -8.8821 -1.4913 -1.4904 4.8729 4.8756 6.6196 6.6230 7.3403 7.3413 7.9396 7.9405 10.1777 10.2018 10.4334 10.4439 10.9788 11.0253 12.0564 12.0645 12.5240 12.5390 13.0340 13.1133 14.1673 14.2622 15.4857 15.4876 17.0759 17.0794 k = 0.0497 0.0663 0.5314 ( 1716 PWs) bands (ev): -29.3812 -29.3812 -10.5374 -10.5362 -9.2389 -9.2372 -8.8837 -8.8802 -1.4907 -1.4899 4.8923 4.8947 6.6044 6.6072 7.3282 7.3288 7.9364 7.9370 10.1807 10.2027 10.4471 10.4561 10.9710 11.0124 12.0596 12.0665 12.5498 12.5630 13.0474 13.1224 14.1200 14.2086 15.4297 15.4313 17.0722 17.0752 k = 0.0426 0.0568 0.5314 ( 1716 PWs) bands (ev): -29.3813 -29.3813 -10.5373 -10.5363 -9.2387 -9.2373 -8.8817 -8.8787 -1.4902 -1.4895 4.9095 4.9117 6.5910 6.5934 7.3173 7.3177 7.9335 7.9339 10.1837 10.2031 10.4597 10.4673 10.9644 11.0005 12.0624 12.0683 12.5737 12.5851 13.0609 13.1301 14.0782 14.1590 15.3799 15.3812 17.0688 17.0712 k = 0.0355 0.0474 0.5314 ( 1708 PWs) bands (ev): -29.3815 -29.3815 -10.5372 -10.5364 -9.2386 -9.2374 -8.8798 -8.8774 -1.4897 -1.4891 4.9244 4.9262 6.5797 6.5817 7.3079 7.3081 7.9310 7.9313 10.1866 10.2032 10.4710 10.4771 10.9592 10.9897 12.0650 12.0699 12.5953 12.6049 13.0744 13.1360 14.0427 14.1139 15.3366 15.3377 17.0658 17.0678 k = 0.0284 0.0379 0.5314 ( 1706 PWs) bands (ev): -29.3816 -29.3816 -10.5372 -10.5365 -9.2384 -9.2375 -8.8783 -8.8763 -1.4893 -1.4888 4.9367 4.9382 6.5704 6.5719 7.3001 7.3002 7.9289 7.9291 10.1893 10.2029 10.4806 10.4854 10.9554 10.9801 12.0673 12.0711 12.6139 12.6216 13.0877 13.1400 14.0141 14.0741 15.3005 15.3013 17.0633 17.0648 k = 0.0213 0.0284 0.5314 ( 1704 PWs) bands (ev): -29.3817 -29.3817 -10.5371 -10.5366 -9.2383 -9.2376 -8.8770 -8.8756 -1.4889 -1.4886 4.9465 4.9476 6.5632 6.5643 7.2939 7.2939 7.9272 7.9273 10.1919 10.2022 10.4884 10.4919 10.9532 10.9718 12.0691 12.0719 12.6292 12.6350 13.1004 13.1415 13.9931 14.0401 15.2719 15.2725 17.0612 17.0623 k = 0.0142 0.0189 0.5314 ( 1700 PWs) bands (ev): -29.3818 -29.3818 -10.5371 -10.5367 -9.2381 -9.2377 -8.8761 -8.8751 -1.4886 -1.4884 4.9536 4.9544 6.5581 6.5588 7.2894 7.2894 7.9260 7.9260 10.1943 10.2013 10.4942 10.4965 10.9525 10.9650 12.0706 12.0724 12.6408 12.6446 13.1121 13.1405 13.9804 14.0127 15.2512 15.2516 17.0598 17.0605 k = 0.0071 0.0095 0.5314 ( 1708 PWs) bands (ev): -29.3818 -29.3818 -10.5370 -10.5368 -9.2380 -9.2378 -8.8754 -8.8749 -1.4885 -1.4884 4.9579 4.9583 6.5551 6.5554 7.2866 7.2866 7.9252 7.9252 10.1964 10.1999 10.4980 10.4991 10.9532 10.9595 12.0716 12.0725 12.6481 12.6501 13.1223 13.1368 13.9759 13.9924 15.2387 15.2389 17.0590 17.0593 k = 0.0000 0.0000 0.5314 ( 1702 PWs) bands (ev): -29.3819 -29.3819 -10.5369 -10.5369 -9.2379 -9.2379 -8.8750 -8.8750 -1.4884 -1.4884 4.9595 4.9595 6.5542 6.5542 7.2857 7.2857 7.9250 7.9250 10.1983 10.1983 10.4996 10.4996 10.9556 10.9556 12.0723 12.0723 12.6513 12.6513 13.1308 13.1308 13.9801 13.9801 15.2346 15.2346 17.0588 17.0588 k = 0.0000 0.0000 0.5314 ( 1702 PWs) bands (ev): -29.3819 -29.3819 -10.5369 -10.5369 -9.2379 -9.2379 -8.8750 -8.8750 -1.4884 -1.4884 4.9595 4.9595 6.5542 6.5542 7.2857 7.2857 7.9250 7.9250 10.1983 10.1983 10.4996 10.4996 10.9556 10.9556 12.0723 12.0723 12.6513 12.6513 13.1308 13.1308 13.9801 13.9801 15.2346 15.2346 17.0588 17.0588 k = 0.0000 0.0000 0.5196 ( 1706 PWs) bands (ev): -29.3819 -29.3819 -10.5371 -10.5362 -9.2382 -9.2370 -8.8751 -8.8751 -1.4899 -1.4888 4.9590 4.9590 6.5547 6.5557 7.2856 7.2884 7.9249 7.9252 10.1983 10.1991 10.5010 10.5014 10.9558 10.9562 12.0701 12.0709 12.6522 12.6532 13.1286 13.1307 13.9800 13.9803 15.2339 15.2357 17.0505 17.0575 k = 0.0000 0.0000 0.5078 ( 1704 PWs) bands (ev): -29.3820 -29.3820 -10.5367 -10.5350 -9.2380 -9.2356 -8.8754 -8.8753 -1.4935 -1.4911 4.9577 4.9577 6.5573 6.5594 7.2881 7.2937 7.9248 7.9253 10.1992 10.2008 10.5054 10.5063 10.9571 10.9577 12.0644 12.0662 12.6559 12.6579 13.1244 13.1285 13.9802 13.9807 15.2335 15.2371 17.0328 17.0465 k = 0.0000 0.0000 0.4960 ( 1708 PWs) bands (ev): -29.3822 -29.3822 -10.5358 -10.5334 -9.2373 -9.2336 -8.8758 -8.8757 -1.4989 -1.4954 4.9554 4.9555 6.5620 6.5651 7.2931 7.3016 7.9247 7.9255 10.2010 10.2034 10.5128 10.5141 10.9591 10.9600 12.0552 12.0579 12.6624 12.6654 13.1180 13.1240 13.9806 13.9813 15.2334 15.2387 17.0061 17.0260 k = 0.0000 0.0000 0.4842 ( 1712 PWs) bands (ev): -29.3825 -29.3825 -10.5345 -10.5312 -9.2360 -9.2312 -8.8764 -8.8762 -1.5063 -1.5017 4.9523 4.9524 6.5686 6.5727 7.3009 7.3121 7.9247 7.9258 10.2039 10.2070 10.5230 10.5246 10.9620 10.9632 12.0426 12.0461 12.6717 12.6758 13.1096 13.1175 13.9812 13.9821 15.2335 15.2404 16.9712 16.9967 k = 0.0000 0.0000 0.4724 ( 1716 PWs) bands (ev): -29.3828 -29.3828 -10.5326 -10.5285 -9.2341 -9.2281 -8.8772 -8.8769 -1.5155 -1.5098 4.9483 4.9485 6.5770 6.5821 7.3112 7.3253 7.9247 7.9262 10.2081 10.2118 10.5358 10.5377 10.9659 10.9673 12.0265 12.0310 12.6838 12.6890 13.0994 13.1089 13.9821 13.9832 15.2336 15.2421 16.9286 16.9591 k = 0.0000 0.0000 0.4606 ( 1712 PWs) bands (ev): -29.3832 -29.3832 -10.5303 -10.5254 -9.2317 -9.2246 -8.8781 -8.8777 -1.5265 -1.5197 4.9436 4.9437 6.5872 6.5932 7.3243 7.3411 7.9251 7.9269 10.2137 10.2180 10.5509 10.5531 10.9707 10.9723 12.0072 12.0126 12.6988 12.7052 13.0875 13.0985 13.9832 13.9845 15.2334 15.2435 16.8792 16.9140 k = 0.0000 0.0000 0.4488 ( 1712 PWs) bands (ev): -29.3837 -29.3837 -10.5275 -10.5218 -9.2287 -9.2205 -8.8791 -8.8787 -1.5393 -1.5315 4.9380 4.9382 6.5988 6.6058 7.3402 7.3595 7.9257 7.9279 10.2209 10.2258 10.5680 10.5704 10.9763 10.9780 11.9846 11.9910 12.7166 12.7243 13.0740 13.0863 13.9846 13.9861 15.2329 15.2443 16.8237 16.8623 k = 0.0000 0.0000 0.4370 ( 1712 PWs) bands (ev): -29.3842 -29.3842 -10.5242 -10.5178 -9.2252 -9.2159 -8.8803 -8.8798 -1.5537 -1.5449 4.9316 4.9318 6.6117 6.6195 7.3588 7.3806 7.9268 7.9293 10.2298 10.2352 10.5868 10.5895 10.9827 10.9844 11.9587 11.9662 12.7372 12.7463 13.0593 13.0725 13.9862 13.9880 15.2315 15.2443 16.7630 16.8049 k = 0.0000 0.0000 0.4251 ( 1714 PWs) bands (ev): -29.3848 -29.3848 -10.5206 -10.5135 -9.2211 -9.2108 -8.8816 -8.8810 -1.5698 -1.5600 4.9246 4.9248 6.6256 6.6342 7.3802 7.4044 7.9283 7.9312 10.2406 10.2464 10.6071 10.6099 10.9899 10.9915 11.9297 11.9383 12.7606 12.7713 13.0434 13.0573 13.9881 13.9902 15.2290 15.2429 16.6981 16.7428 k = 0.0000 0.0000 0.4133 ( 1712 PWs) bands (ev): -29.3855 -29.3855 -10.5165 -10.5088 -9.2165 -9.2052 -8.8831 -8.8824 -1.5873 -1.5767 4.9168 4.9170 6.6404 6.6496 7.4046 7.4310 7.9305 7.9338 10.2533 10.2596 10.6286 10.6316 10.9980 10.9993 11.8979 11.9078 12.7866 12.7992 13.0267 13.0407 13.9904 13.9926 15.2248 15.2399 16.6300 16.6771 k = 0.0000 0.0000 0.4015 ( 1712 PWs) bands (ev): -29.3862 -29.3862 -10.5121 -10.5037 -9.2113 -9.1990 -8.8846 -8.8839 -1.6064 -1.5949 4.9084 4.9087 6.6556 6.6654 7.4319 7.4602 7.9336 7.9372 10.2682 10.2749 10.6509 10.6541 11.0067 11.0076 11.8632 11.8744 12.8150 12.8300 13.0096 13.0231 13.9930 13.9955 15.2186 15.2345 16.5600 16.6093 k = 0.0000 0.0000 0.3897 ( 1712 PWs) bands (ev): -29.3869 -29.3869 -10.5074 -10.4984 -9.2055 -9.1924 -8.8863 -8.8855 -1.6267 -1.6144 4.8994 4.8997 6.6711 6.6813 7.4621 7.4922 7.9376 7.9415 10.2851 10.2922 10.6740 10.6774 11.0160 11.0163 11.8259 11.8387 12.8452 12.8636 12.9928 13.0045 13.9959 13.9987 15.2096 15.2262 16.4895 16.5405 k = 0.0000 0.0000 0.3779 ( 1720 PWs) bands (ev): -29.3878 -29.3878 -10.5025 -10.4929 -9.1992 -9.1853 -8.8881 -8.8873 -1.6483 -1.6353 4.8898 4.8901 6.6866 6.6970 7.4953 7.5268 7.9428 7.9469 10.3041 10.3115 10.6973 10.7010 11.0253 11.0260 11.7860 11.8006 12.8750 12.8996 12.9782 12.9854 13.9993 14.0024 15.1972 15.2143 16.4199 16.4723 k = 0.0000 0.0000 0.3661 ( 1720 PWs) bands (ev): -29.3886 -29.3886 -10.4972 -10.4871 -9.1924 -9.1777 -8.8900 -8.8891 -1.6710 -1.6574 4.8798 4.8801 6.7017 6.7122 7.5314 7.5640 7.9493 7.9536 10.3253 10.3331 10.7210 10.7249 11.0346 11.0366 11.7438 11.7606 12.8979 12.9361 12.9681 12.9730 14.0032 14.0066 15.1808 15.1981 16.3528 16.4063 k = 0.0000 0.0000 0.3543 ( 1720 PWs) bands (ev): -29.3895 -29.3895 -10.4918 -10.4812 -9.1850 -9.1697 -8.8920 -8.8910 -1.6948 -1.6805 4.8693 4.8697 6.7163 6.7267 7.5705 7.6037 7.9574 7.9617 10.3487 10.3568 10.7447 10.7490 11.0439 11.0476 11.6995 11.7190 12.9008 12.9397 12.9857 12.9898 14.0075 14.0112 15.1595 15.1767 16.2898 16.3440 k = 0.0000 0.0000 0.3425 ( 1716 PWs) bands (ev): -29.3905 -29.3905 -10.4861 -10.4752 -9.1772 -9.1612 -8.8940 -8.8930 -1.7194 -1.7046 4.8585 4.8588 6.7301 6.7402 7.6123 7.6457 7.9673 7.9714 10.3742 10.3827 10.7684 10.7731 11.0531 11.0590 11.6532 11.6760 12.8880 12.9199 13.0247 13.0289 14.0125 14.0166 15.1327 15.1494 16.2322 16.2867 k = 0.0000 0.0000 0.3307 ( 1722 PWs) bands (ev): -29.3915 -29.3915 -10.4804 -10.4690 -9.1688 -9.1523 -8.8961 -8.8950 -1.7448 -1.7295 4.8473 4.8477 6.7428 6.7525 7.6567 7.6897 7.9794 7.9829 10.4017 10.4105 10.7916 10.7967 11.0618 11.0707 11.6051 11.6320 12.8697 12.8985 13.0670 13.0757 14.0181 14.0225 15.1000 15.1157 16.1814 16.2358 k = 0.0000 0.0000 0.3189 ( 1718 PWs) bands (ev): -29.3925 -29.3925 -10.4745 -10.4628 -9.1600 -9.1431 -8.8983 -8.8971 -1.7708 -1.7552 4.8360 4.8363 6.7543 6.7634 7.7034 7.7354 7.9940 7.9966 10.4312 10.4403 10.8143 10.8201 11.0697 11.0826 11.5557 11.5876 12.8494 12.8765 13.1134 13.1249 14.0244 14.0292 15.0610 15.0754 16.1383 16.1921 k = 0.0000 0.0000 0.3070 ( 1718 PWs) bands (ev): -29.3935 -29.3935 -10.4686 -10.4567 -9.1507 -9.1334 -8.9005 -8.8993 -1.7974 -1.7814 4.8244 4.8247 6.7645 6.7729 7.7520 7.7820 8.0118 8.0128 10.4626 10.4720 10.8363 10.8430 11.0763 11.0945 11.5050 11.5435 12.8282 12.8542 13.1625 13.1763 14.0316 14.0368 15.0158 15.0285 16.1034 16.1564 k = 0.0000 0.0000 0.2952 ( 1718 PWs) bands (ev): -29.3945 -29.3945 -10.4626 -10.4505 -9.1410 -9.1235 -8.9028 -8.9015 -1.8243 -1.8082 4.8126 4.8130 6.7732 6.7809 7.8018 7.8286 8.0320 8.0336 10.4957 10.5054 10.8576 10.8653 11.0807 11.1059 11.4536 11.5005 12.8066 12.8319 13.2137 13.2294 14.0397 14.0454 14.9649 14.9756 16.0768 16.1287 k = 0.0000 0.0000 0.2834 ( 1722 PWs) bands (ev): -29.3956 -29.3956 -10.4567 -10.4444 -9.1310 -9.1133 -8.9051 -8.9037 -1.8515 -1.8352 4.8008 4.8011 6.7805 6.7873 7.8518 7.8741 8.0551 8.0605 10.5305 10.5404 10.8778 10.8869 11.0820 11.1161 11.4022 11.4598 12.7846 12.8093 13.2664 13.2840 14.0489 14.0551 14.9088 14.9175 16.0582 16.1089 k = 0.0000 0.0000 0.2716 ( 1722 PWs) bands (ev): -29.3967 -29.3967 -10.4507 -10.4384 -9.1206 -9.1029 -8.9074 -8.9059 -1.8789 -1.8625 4.7889 4.7893 6.7862 6.7921 7.9004 7.9167 8.0833 8.0938 10.5667 10.5769 10.8967 10.9078 11.0789 11.1242 11.3522 11.4231 12.7626 12.7868 13.3204 13.3395 14.0595 14.0661 14.8487 14.8552 16.0470 16.0965 k = 0.0000 0.0000 0.2598 ( 1722 PWs) bands (ev): -29.3977 -29.3977 -10.4449 -10.4325 -9.1099 -9.0922 -8.9097 -8.9081 -1.9062 -1.8899 4.7771 4.7774 6.7904 6.7955 7.9460 7.9554 8.1182 8.1346 10.6042 10.6147 10.9138 10.9278 11.0703 11.1273 11.3063 11.3921 12.7407 12.7644 13.3750 13.3956 14.0716 14.0786 14.7854 14.7899 16.0427 16.0911 k = 0.0000 0.0000 0.2480 ( 1722 PWs) bands (ev): -29.3988 -29.3988 -10.4391 -10.4268 -9.0990 -9.0814 -8.9120 -8.9103 -1.9335 -1.9172 4.7654 4.7657 6.7932 6.7974 7.9868 7.9897 8.1611 8.1828 10.6428 10.6534 10.9278 10.9469 11.0556 11.1198 11.2703 11.3685 12.7188 12.7422 13.4296 13.4517 14.0855 14.0929 14.7201 14.7227 16.0444 16.0919 k = 0.0000 0.0000 0.2362 ( 1727 PWs) bands (ev): -29.3999 -29.3999 -10.4334 -10.4213 -9.0879 -9.0706 -8.9143 -8.9125 -1.9605 -1.9444 4.7538 4.7541 6.7947 6.7980 8.0205 8.0225 8.2120 8.2375 10.6823 10.6929 10.9358 10.9646 11.0374 11.0953 11.2509 11.3528 12.6971 12.7201 13.4838 13.5071 14.1014 14.1092 14.6536 14.6546 16.0516 16.0983 k = 0.0000 0.0000 0.2244 ( 1729 PWs) bands (ev): -29.4009 -29.4009 -10.4279 -10.4160 -9.0767 -9.0597 -8.9165 -8.9146 -1.9871 -1.9712 4.7424 4.7427 6.7948 6.7974 8.0487 8.0540 8.2699 8.2973 10.7222 10.7325 10.9310 10.9797 11.0235 11.0563 11.2471 11.3443 12.6757 12.6983 13.5369 13.5612 14.1198 14.1278 14.5865 14.5870 16.0637 16.1099 k = 0.0000 0.0000 0.2126 ( 1733 PWs) bands (ev): -29.4019 -29.4019 -10.4226 -10.4109 -9.0654 -9.0489 -8.9187 -8.9167 -2.0132 -1.9976 4.7313 4.7316 6.7939 6.7958 8.0752 8.0824 8.3330 8.3609 10.7623 10.7708 10.9083 10.9798 11.0214 11.0220 11.2523 11.3418 12.6547 12.6769 13.5882 13.6133 14.1410 14.1490 14.5191 14.5209 16.0802 16.1262 k = 0.0000 0.0000 0.2008 ( 1733 PWs) bands (ev): -29.4029 -29.4029 -10.4175 -10.4060 -9.0541 -9.0382 -8.9209 -8.9187 -2.0387 -2.0235 4.7204 4.7207 6.7919 6.7932 8.1006 8.1087 8.4000 8.4276 10.8014 10.8015 10.8787 10.9379 11.0249 11.0280 11.2618 11.3437 12.6341 12.6559 13.6370 13.6625 14.1651 14.1729 14.4532 14.4561 16.1008 16.1467 k = 0.0000 0.0000 0.1890 ( 1721 PWs) bands (ev): -29.4039 -29.4039 -10.4125 -10.4014 -9.0429 -9.0277 -8.9230 -8.9206 -2.0634 -2.0487 4.7100 4.7103 6.7891 6.7899 8.1252 8.1337 8.4700 8.4965 10.7939 10.8332 10.8793 10.8892 11.0382 11.0384 11.2734 11.3485 12.6140 12.6354 13.6829 13.7084 14.1924 14.1998 14.3895 14.3934 16.1252 16.1712 k = 0.0000 0.0000 0.1771 ( 1725 PWs) bands (ev): -29.4048 -29.4048 -10.4078 -10.3971 -9.0318 -9.0174 -8.9250 -8.9224 -2.0872 -2.0731 4.7000 4.7002 6.7856 6.7859 8.1490 8.1575 8.5420 8.5671 10.7492 10.8078 10.8935 10.9116 11.0492 11.0528 11.2859 11.3551 12.5945 12.6154 13.7252 13.7503 14.2221 14.2290 14.3285 14.3336 16.1531 16.1992 k = 0.0000 0.0000 0.1653 ( 1723 PWs) bands (ev): -29.4058 -29.4057 -10.4033 -10.3931 -9.0210 -9.0075 -8.9269 -8.9241 -2.1101 -2.0966 4.6904 4.6907 6.7814 6.7815 8.1721 8.1804 8.6157 8.6391 10.6949 10.7487 10.9284 10.9497 11.0603 11.0673 11.2990 11.3631 12.5757 12.5961 13.7639 13.7880 14.2472 14.2537 14.2774 14.2838 16.1843 16.2307 k = 0.0000 0.0000 0.1535 ( 1727 PWs) bands (ev): -29.4066 -29.4066 -10.3990 -10.3893 -9.0104 -8.9980 -8.9288 -8.9257 -2.1319 -2.1190 4.6813 4.6815 6.7766 6.7770 8.1943 8.2023 8.6907 8.7122 10.6370 10.6856 10.9644 10.9883 11.0711 11.0821 11.3121 11.3715 12.5576 12.5774 13.7987 13.8215 14.2110 14.2135 14.2982 14.2990 16.2186 16.2654 k = 0.0000 0.0000 0.1417 ( 1729 PWs) bands (ev): -29.4074 -29.4074 -10.3950 -10.3859 -9.0002 -8.9889 -8.9305 -8.9271 -2.1525 -2.1404 4.6726 4.6729 6.7716 6.7723 8.2158 8.2233 8.7665 8.7859 10.5767 10.6209 10.9983 11.0258 11.0818 11.0975 11.3252 11.3803 12.5404 12.5595 13.8298 13.8511 14.1594 14.1632 14.3340 14.3341 16.2558 16.3032 k = 0.0000 0.0000 0.1299 ( 1725 PWs) bands (ev): -29.4082 -29.4082 -10.3913 -10.3828 -8.9905 -8.9805 -8.9321 -8.9283 -2.1718 -2.1604 4.6646 4.6648 6.7665 6.7673 8.2362 8.2432 8.8428 8.8601 10.5150 10.5552 11.0286 11.0608 11.0930 11.1145 11.3382 11.3891 12.5241 12.5425 13.8575 13.8770 14.1110 14.1151 14.3703 14.3715 16.2959 16.3437 k = 0.0000 0.0000 0.1181 ( 1729 PWs) bands (ev): -29.4089 -29.4089 -10.3878 -10.3799 -8.9812 -8.9728 -8.9336 -8.9293 -2.1897 -2.1792 4.6571 4.6573 6.7614 6.7624 8.2555 8.2619 8.9195 8.9345 10.4520 10.4887 11.0540 11.0875 11.1101 11.1339 11.3506 11.3974 12.5089 12.5263 13.8821 13.8998 14.0662 14.0703 14.4062 14.4088 16.3385 16.3869 k = 0.0000 0.0000 0.1063 ( 1725 PWs) bands (ev): -29.4096 -29.4096 -10.3846 -10.3774 -8.9726 -8.9660 -8.9349 -8.9299 -2.2062 -2.1965 4.6503 4.6504 6.7565 6.7576 8.2734 8.2792 8.9961 9.0089 10.3883 10.4217 11.0739 11.1007 11.1377 11.1559 11.3628 11.4055 12.4949 12.5112 13.9039 13.9198 14.0254 14.0293 14.4408 14.4446 16.3836 16.4325 k = 0.0000 0.0000 0.0945 ( 1725 PWs) bands (ev): -29.4102 -29.4102 -10.3817 -10.3752 -8.9647 -8.9600 -8.9361 -8.9302 -2.2210 -2.2123 4.6441 4.6442 6.7519 6.7529 8.2900 8.2951 9.0724 9.0828 10.3241 10.3544 11.0889 11.1090 11.1671 11.1794 11.3742 11.4127 12.4821 12.4972 13.9231 13.9373 13.9887 13.9923 14.4733 14.4779 16.4309 16.4801 k = 0.0000 0.0000 0.0827 ( 1725 PWs) bands (ev): -29.4107 -29.4107 -10.3791 -10.3733 -8.9576 -8.9552 -8.9370 -8.9300 -2.2343 -2.2266 4.6385 4.6387 6.7476 6.7486 8.3050 8.3095 9.1479 9.1561 10.2596 10.2870 11.1004 11.1154 11.1947 11.2028 11.3850 11.4191 12.4707 12.4844 13.9392 13.9526 13.9571 13.9593 14.5030 14.5081 16.4800 16.5294 k = 0.0000 0.0000 0.0709 ( 1725 PWs) bands (ev): -29.4112 -29.4112 -10.3767 -10.3718 -8.9516 -8.9515 -8.9374 -8.9294 -2.2458 -2.2391 4.6337 4.6338 6.7437 6.7447 8.3183 8.3221 9.2222 9.2281 10.1955 10.2199 11.1093 11.1207 11.2195 11.2249 11.3950 11.4246 12.4607 12.4729 13.9265 13.9304 13.9563 13.9658 14.5293 14.5346 16.5306 16.5797 k = 0.0000 0.0000 0.0590 ( 1727 PWs) bands (ev): -29.4116 -29.4116 -10.3747 -10.3705 -8.9489 -8.9471 -8.9369 -8.9283 -2.2556 -2.2499 4.6296 4.6297 6.7403 6.7412 8.3297 8.3329 9.2945 9.2982 10.1322 10.1538 11.1164 11.1251 11.2410 11.2446 11.4040 11.4290 12.4523 12.4628 13.9028 13.9059 13.9688 13.9769 14.5519 14.5570 16.5818 16.6300 k = 0.0000 0.0000 0.0472 ( 1731 PWs) bands (ev): -29.4119 -29.4119 -10.3729 -10.3696 -8.9473 -8.9448 -8.9350 -8.9270 -2.2635 -2.2590 4.6262 4.6263 6.7375 6.7382 8.3393 8.3419 9.3636 9.3652 10.0710 10.0895 11.1220 11.1284 11.2591 11.2615 11.4120 11.4322 12.4456 12.4541 13.8831 13.8856 13.9794 13.9859 14.5706 14.5751 16.6328 16.6789 k = 0.0000 0.0000 0.0354 ( 1723 PWs) bands (ev): -29.4121 -29.4121 -10.3714 -10.3689 -8.9462 -8.9441 -8.9322 -8.9259 -2.2696 -2.2662 4.6235 4.6236 6.7353 6.7358 8.3470 8.3489 9.4275 9.4275 10.0140 10.0292 11.1265 11.1311 11.2734 11.2749 11.4190 11.4342 12.4405 12.4470 13.8679 13.8698 13.9881 13.9929 14.5853 14.5890 16.6820 16.7237 k = 0.0000 0.0000 0.0236 ( 1719 PWs) bands (ev): -29.4123 -29.4123 -10.3703 -10.3686 -8.9455 -8.9441 -8.9294 -8.9253 -2.2738 -2.2715 4.6217 4.6217 6.7337 6.7341 8.3525 8.3538 9.4813 9.4824 9.9649 9.9761 11.1297 11.1327 11.2838 11.2847 11.4247 11.4350 12.4371 12.4416 13.8571 13.8583 13.9945 13.9978 14.5960 14.5986 16.7265 16.7600 k = 0.0000 0.0000 0.0118 ( 1719 PWs) bands (ev): -29.4124 -29.4124 -10.3694 -10.3685 -8.9451 -8.9444 -8.9273 -8.9252 -2.2761 -2.2750 4.6205 4.6205 6.7328 6.7330 8.3560 8.3566 9.5203 9.5215 9.9302 9.9364 11.1319 11.1333 11.2901 11.2905 11.4293 11.4344 12.4356 12.4378 13.8507 13.8513 13.9987 14.0003 14.6027 14.6040 16.7620 16.7814 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.4125 -29.4125 -10.3688 -10.3688 -8.9447 -8.9447 -8.9259 -8.9259 -2.2765 -2.2765 4.6201 4.6201 6.7325 6.7325 8.3574 8.3574 9.5356 9.5356 9.9192 9.9192 11.1331 11.1331 11.2924 11.2924 11.4325 11.4325 12.4358 12.4358 13.8488 13.8488 14.0008 14.0008 14.6054 14.6054 16.7822 16.7822 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.4125 -29.4125 -10.3688 -10.3688 -8.9447 -8.9447 -8.9259 -8.9259 -2.2765 -2.2765 4.6201 4.6201 6.7325 6.7325 8.3574 8.3574 9.5356 9.5356 9.9192 9.9192 11.1331 11.1331 11.2924 11.2924 11.4325 11.4325 12.4358 12.4358 13.8488 13.8488 14.0008 14.0008 14.6054 14.6054 16.7822 16.7822 k =-0.0094 0.0071 0.0000 ( 1717 PWs) bands (ev): -29.4124 -29.4124 -10.3689 -10.3689 -8.9449 -8.9449 -8.9260 -8.9260 -2.2756 -2.2756 4.6207 4.6207 6.7287 6.7287 8.3606 8.3606 9.5343 9.5343 9.9200 9.9200 11.1319 11.1319 11.2912 11.2912 11.4328 11.4328 12.4334 12.4334 13.8490 13.8490 14.0013 14.0013 14.6056 14.6056 16.7853 16.7853 k =-0.0189 0.0141 0.0000 ( 1717 PWs) bands (ev): -29.4124 -29.4124 -10.3693 -10.3693 -8.9454 -8.9454 -8.9264 -8.9264 -2.2728 -2.2728 4.6225 4.6225 6.7174 6.7174 8.3701 8.3701 9.5304 9.5304 9.9224 9.9224 11.1284 11.1284 11.2876 11.2876 11.4338 11.4338 12.4261 12.4261 13.8496 13.8496 14.0033 14.0033 14.6065 14.6065 16.7947 16.7947 k =-0.0283 0.0212 0.0000 ( 1717 PWs) bands (ev): -29.4122 -29.4122 -10.3699 -10.3699 -8.9463 -8.9463 -8.9270 -8.9270 -2.2683 -2.2683 4.6254 4.6254 6.6990 6.6990 8.3856 8.3856 9.5238 9.5238 9.9263 9.9263 11.1225 11.1225 11.2816 11.2816 11.4354 11.4354 12.4140 12.4140 13.8507 13.8507 14.0066 14.0066 14.6078 14.6078 16.8102 16.8102 k =-0.0377 0.0283 0.0000 ( 1717 PWs) bands (ev): -29.4121 -29.4121 -10.3707 -10.3707 -8.9476 -8.9476 -8.9278 -8.9278 -2.2619 -2.2619 4.6295 4.6295 6.6740 6.6740 8.4063 8.4063 9.5146 9.5146 9.9317 9.9317 11.1143 11.1143 11.2732 11.2732 11.4378 11.4378 12.3972 12.3972 13.8525 13.8525 14.0113 14.0113 14.6098 14.6098 16.8317 16.8317 k =-0.0472 0.0353 0.0000 ( 1717 PWs) bands (ev): -29.4119 -29.4119 -10.3717 -10.3717 -8.9494 -8.9494 -8.9287 -8.9287 -2.2538 -2.2538 4.6348 4.6348 6.6431 6.6431 8.4316 8.4316 9.5028 9.5028 9.9386 9.9386 11.1038 11.1038 11.2625 11.2625 11.4410 11.4410 12.3757 12.3757 13.8552 13.8552 14.0174 14.0174 14.6122 14.6122 16.8589 16.8589 k =-0.0566 0.0424 0.0000 ( 1725 PWs) bands (ev): -29.4116 -29.4116 -10.3730 -10.3730 -8.9517 -8.9517 -8.9297 -8.9297 -2.2439 -2.2439 4.6411 4.6411 6.6071 6.6071 8.4605 8.4605 9.4884 9.4884 9.9468 9.9468 11.0912 11.0912 11.2494 11.2494 11.4451 11.4451 12.3497 12.3497 13.8590 13.8590 14.0251 14.0251 14.6150 14.6150 16.8914 16.8914 k =-0.0660 0.0495 0.0000 ( 1719 PWs) bands (ev): -29.4113 -29.4113 -10.3744 -10.3744 -8.9545 -8.9545 -8.9307 -8.9307 -2.2323 -2.2323 4.6486 4.6486 6.5668 6.5668 8.4924 8.4924 9.4716 9.4716 9.9563 9.9563 11.0764 11.0764 11.2341 11.2341 11.4505 11.4505 12.3197 12.3197 13.8643 13.8643 14.0344 14.0344 14.6184 14.6184 16.9282 16.9282 k =-0.0755 0.0565 0.0000 ( 1723 PWs) bands (ev): -29.4109 -29.4109 -10.3761 -10.3761 -8.9579 -8.9579 -8.9317 -8.9317 -2.2191 -2.2191 4.6572 4.6572 6.5230 6.5230 8.5261 8.5261 9.4522 9.4522 9.9670 9.9670 11.0596 11.0596 11.2164 11.2164 11.4570 11.4570 12.2856 12.2856 13.8713 13.8713 14.0455 14.0455 14.6221 14.6221 16.9624 16.9624 k =-0.0849 0.0636 0.0000 ( 1727 PWs) bands (ev): -29.4106 -29.4106 -10.3780 -10.3780 -8.9618 -8.9618 -8.9326 -8.9326 -2.2042 -2.2042 4.6668 4.6668 6.4763 6.4763 8.5610 8.5610 9.4304 9.4304 9.9787 9.9787 11.0409 11.0409 11.1966 11.1966 11.4647 11.4647 12.2480 12.2480 13.8802 13.8802 14.0584 14.0584 14.6262 14.6262 16.9541 16.9541 k =-0.0943 0.0707 0.0000 ( 1731 PWs) bands (ev): -29.4101 -29.4101 -10.3802 -10.3802 -8.9662 -8.9662 -8.9335 -8.9335 -2.1878 -2.1878 4.6775 4.6775 6.4274 6.4274 8.5962 8.5962 9.4063 9.4063 9.9913 9.9913 11.0204 11.0204 11.1745 11.1745 11.4739 11.4739 12.2073 12.2073 13.8913 13.8913 14.0733 14.0733 14.6306 14.6306 16.9143 16.9143 k =-0.1038 0.0777 0.0000 ( 1735 PWs) bands (ev): -29.4096 -29.4096 -10.3825 -10.3825 -8.9711 -8.9711 -8.9344 -8.9344 -2.1699 -2.1699 4.6892 4.6892 6.3769 6.3769 8.6308 8.6308 9.3799 9.3799 10.0045 10.0045 10.9983 10.9983 11.1504 11.1504 11.4847 11.4847 12.1641 12.1641 13.9047 13.9047 14.0903 14.0903 14.6353 14.6353 16.8686 16.8686 k =-0.1132 0.0848 0.0000 ( 1739 PWs) bands (ev): -29.4091 -29.4091 -10.3850 -10.3850 -8.9765 -8.9765 -8.9353 -8.9353 -2.1506 -2.1506 4.7020 4.7020 6.3254 6.3254 8.6643 8.6643 9.3514 9.3514 10.0184 10.0184 10.9746 10.9746 11.1243 11.1243 11.4971 11.4971 12.1189 12.1189 13.9207 13.9207 14.1094 14.1094 14.6403 14.6403 16.8205 16.8205 k =-0.1226 0.0919 0.0000 ( 1739 PWs) bands (ev): -29.4086 -29.4086 -10.3876 -10.3876 -8.9823 -8.9823 -8.9361 -8.9361 -2.1299 -2.1299 4.7157 4.7157 6.2734 6.2734 8.6958 8.6958 9.3209 9.3209 10.0327 10.0327 10.9496 10.9496 11.0963 11.0963 11.5113 11.5113 12.0725 12.0725 13.9394 13.9394 14.1308 14.1308 14.6454 14.6454 16.7708 16.7708 k =-0.1321 0.0989 0.0000 ( 1737 PWs) bands (ev): -29.4080 -29.4080 -10.3905 -10.3905 -8.9885 -8.9885 -8.9369 -8.9369 -2.1080 -2.1080 4.7303 4.7303 6.2212 6.2212 8.7248 8.7248 9.2885 9.2885 10.0472 10.0472 10.9233 10.9233 11.0665 11.0665 11.5272 11.5272 12.0255 12.0255 13.9608 13.9608 14.1545 14.1545 14.6508 14.6508 16.7203 16.7203 k =-0.1415 0.1060 0.0000 ( 1737 PWs) bands (ev): -29.4074 -29.4074 -10.3935 -10.3935 -8.9950 -8.9950 -8.9376 -8.9376 -2.0848 -2.0848 4.7458 4.7458 6.1693 6.1693 8.7505 8.7505 9.2544 9.2544 10.0617 10.0617 10.8958 10.8958 11.0350 11.0350 11.5450 11.5450 11.9786 11.9786 13.9851 13.9851 14.1805 14.1805 14.6562 14.6562 16.6695 16.6695 k =-0.1509 0.1131 0.0000 ( 1737 PWs) bands (ev): -29.4067 -29.4067 -10.3967 -10.3967 -9.0019 -9.0019 -8.9384 -8.9384 -2.0606 -2.0606 4.7621 4.7621 6.1180 6.1180 8.7723 8.7723 9.2187 9.2187 10.0760 10.0760 10.8674 10.8674 11.0019 11.0019 11.5646 11.5646 11.9327 11.9327 14.0123 14.0123 14.2089 14.2089 14.6618 14.6618 16.6186 16.6186 k =-0.1604 0.1201 0.0000 ( 1736 PWs) bands (ev): -29.4061 -29.4061 -10.4000 -10.4000 -9.0090 -9.0090 -8.9392 -8.9392 -2.0354 -2.0354 4.7793 4.7793 6.0677 6.0677 8.7897 8.7897 9.1816 9.1816 10.0900 10.0900 10.8381 10.8381 10.9673 10.9673 11.5860 11.5860 11.8886 11.8886 14.0425 14.0425 14.2397 14.2397 14.6674 14.6674 16.5682 16.5682 k =-0.1698 0.1272 0.0000 ( 1730 PWs) bands (ev): -29.4054 -29.4054 -10.4035 -10.4035 -9.0164 -9.0164 -8.9399 -8.9399 -2.0093 -2.0093 4.7972 4.7972 6.0185 6.0185 8.8021 8.8021 9.1433 9.1433 10.1036 10.1036 10.8082 10.8082 10.9314 10.9314 11.6091 11.6091 11.8469 11.8469 14.0756 14.0756 14.2730 14.2730 14.6731 14.6731 16.5184 16.5184 k =-0.1792 0.1343 0.0000 ( 1730 PWs) bands (ev): -29.4046 -29.4046 -10.4070 -10.4070 -9.0239 -9.0239 -8.9406 -8.9406 -1.9823 -1.9823 4.8157 4.8157 5.9707 5.9707 8.8089 8.8089 9.1040 9.1040 10.1165 10.1165 10.7776 10.7776 10.8944 10.8944 11.6334 11.6334 11.8088 11.8088 14.1116 14.1116 14.3086 14.3086 14.6788 14.6788 16.4695 16.4695 k =-0.1887 0.1413 0.0000 ( 1730 PWs) bands (ev): -29.4039 -29.4039 -10.4107 -10.4107 -9.0317 -9.0317 -8.9413 -8.9413 -1.9547 -1.9547 4.8349 4.8349 5.9247 5.9247 8.8098 8.8098 9.0637 9.0637 10.1289 10.1289 10.7465 10.7465 10.8563 10.8563 11.6582 11.6582 11.7756 11.7756 14.1505 14.1505 14.3466 14.3466 14.6845 14.6845 16.4219 16.4219 k =-0.1981 0.1484 0.0000 ( 1730 PWs) bands (ev): -29.4031 -29.4031 -10.4145 -10.4145 -9.0395 -9.0395 -8.9420 -8.9420 -1.9264 -1.9264 4.8547 4.8547 5.8805 5.8805 8.8042 8.8042 9.0228 9.0228 10.1406 10.1406 10.7151 10.7151 10.8174 10.8174 11.6798 11.6798 11.7513 11.7513 14.1924 14.1924 14.3870 14.3870 14.6901 14.6901 16.3757 16.3757 k =-0.2075 0.1555 0.0000 ( 1726 PWs) bands (ev): -29.4023 -29.4023 -10.4184 -10.4184 -9.0475 -9.0475 -8.9427 -8.9427 -1.8977 -1.8977 4.8751 4.8751 5.8384 5.8384 8.7919 8.7919 8.9814 8.9814 10.1517 10.1517 10.6835 10.6835 10.7779 10.7779 11.6860 11.6860 11.7484 11.7484 14.2371 14.2371 14.4296 14.4296 14.6957 14.6957 16.3312 16.3312 k =-0.2170 0.1625 0.0000 ( 1730 PWs) bands (ev): -29.4015 -29.4015 -10.4224 -10.4224 -9.0556 -9.0556 -8.9434 -8.9434 -1.8685 -1.8685 4.8958 4.8958 5.7986 5.7986 8.7727 8.7727 8.9397 8.9397 10.1622 10.1622 10.6517 10.6517 10.7378 10.7378 11.6739 11.6739 11.7700 11.7700 14.2845 14.2845 14.4744 14.4744 14.7013 14.7013 16.2886 16.2886 k =-0.2264 0.1696 0.0000 ( 1726 PWs) bands (ev): -29.4007 -29.4007 -10.4264 -10.4264 -9.0637 -9.0637 -8.9440 -8.9440 -1.8391 -1.8391 4.9170 4.9170 5.7612 5.7612 8.7466 8.7466 8.8977 8.8977 10.1723 10.1723 10.6198 10.6198 10.6974 10.6974 11.6587 11.6587 11.8007 11.8007 14.3347 14.3347 14.5212 14.5212 14.7068 14.7068 16.2481 16.2481 k =-0.2358 0.1767 0.0000 ( 1726 PWs) bands (ev): -29.3999 -29.3999 -10.4304 -10.4304 -9.0718 -9.0718 -8.9446 -8.9446 -1.8095 -1.8095 4.9386 4.9386 5.7263 5.7263 8.7136 8.7136 8.8557 8.8557 10.1821 10.1821 10.5879 10.5879 10.6570 10.6570 11.6460 11.6460 11.8350 11.8350 14.3875 14.3875 14.5700 14.5700 14.7123 14.7123 16.2099 16.2099 k =-0.2453 0.1837 0.0000 ( 1726 PWs) bands (ev): -29.3991 -29.3991 -10.4345 -10.4345 -9.0799 -9.0799 -8.9452 -8.9452 -1.7799 -1.7799 4.9603 4.9603 5.6941 5.6941 8.6740 8.6740 8.8138 8.8138 10.1915 10.1915 10.5559 10.5559 10.6168 10.6168 11.6367 11.6367 11.8715 11.8715 14.4426 14.4426 14.6204 14.6204 14.7180 14.7180 16.1743 16.1743 k =-0.2547 0.1908 0.0000 ( 1726 PWs) bands (ev): -29.3983 -29.3983 -10.4386 -10.4386 -9.0879 -9.0879 -8.9458 -8.9458 -1.7503 -1.7503 4.9823 4.9823 5.6648 5.6648 8.6281 8.6281 8.7721 8.7721 10.2007 10.2007 10.5237 10.5237 10.5771 10.5771 11.6310 11.6310 11.9096 11.9096 14.4999 14.4999 14.6716 14.6716 14.7246 14.7246 16.1416 16.1416 k =-0.2642 0.1979 0.0000 ( 1722 PWs) bands (ev): -29.3975 -29.3975 -10.4427 -10.4427 -9.0959 -9.0959 -8.9463 -8.9463 -1.7208 -1.7208 5.0044 5.0044 5.6383 5.6383 8.5763 8.5763 8.7308 8.7308 10.2096 10.2096 10.4911 10.4911 10.5386 10.5386 11.6289 11.6289 11.9490 11.9490 14.5590 14.5590 14.7156 14.7156 14.7401 14.7401 16.1119 16.1119 k =-0.2736 0.2049 0.0000 ( 1726 PWs) bands (ev): -29.3967 -29.3967 -10.4468 -10.4468 -9.1038 -9.1038 -8.9468 -8.9468 -1.6916 -1.6916 5.0266 5.0266 5.6148 5.6148 8.5190 8.5190 8.6901 8.6901 10.2182 10.2182 10.4578 10.4578 10.5016 10.5016 11.6298 11.6298 11.9895 11.9895 14.6194 14.6194 14.7293 14.7293 14.7873 14.7873 16.0857 16.0857 k =-0.2830 0.2120 0.0000 ( 1722 PWs) bands (ev): -29.3959 -29.3959 -10.4509 -10.4509 -9.1115 -9.1115 -8.9473 -8.9473 -1.6628 -1.6628 5.0488 5.0488 5.5944 5.5944 8.4569 8.4569 8.6501 8.6501 10.2264 10.2264 10.4234 10.4234 10.4670 10.4670 11.6335 11.6335 12.0310 12.0310 14.6798 14.6798 14.7370 14.7370 14.8430 14.8430 16.0632 16.0632 k =-0.2925 0.2191 0.0000 ( 1722 PWs) bands (ev): -29.3951 -29.3951 -10.4549 -10.4549 -9.1191 -9.1191 -8.9478 -8.9478 -1.6344 -1.6344 5.0708 5.0708 5.5771 5.5771 8.3905 8.3905 8.6109 8.6109 10.2341 10.2341 10.3879 10.3879 10.4349 10.4349 11.6396 11.6396 12.0733 12.0733 14.7275 14.7275 14.7570 14.7570 14.9005 14.9005 16.0449 16.0449 k =-0.3019 0.2261 0.0000 ( 1718 PWs) bands (ev): -29.3943 -29.3943 -10.4589 -10.4589 -9.1265 -9.1265 -8.9482 -8.9482 -1.6066 -1.6066 5.0926 5.0926 5.5630 5.5630 8.3204 8.3204 8.5727 8.5727 10.2410 10.2410 10.3519 10.3519 10.4055 10.4055 11.6477 11.6477 12.1163 12.1163 14.7396 14.7396 14.8124 14.8124 14.9592 14.9592 16.0314 16.0314 k =-0.3113 0.2332 0.0000 ( 1718 PWs) bands (ev): -29.3935 -29.3935 -10.4628 -10.4628 -9.1337 -9.1337 -8.9486 -8.9486 -1.5795 -1.5795 5.1142 5.1142 5.5521 5.5521 8.2472 8.2472 8.5356 8.5356 10.2464 10.2464 10.3161 10.3161 10.3785 10.3785 11.6574 11.6574 12.1596 12.1596 14.7451 14.7451 14.8734 14.8734 15.0185 15.0185 16.0233 16.0233 k =-0.3208 0.2403 0.0000 ( 1716 PWs) bands (ev): -29.3928 -29.3928 -10.4666 -10.4666 -9.1407 -9.1407 -8.9490 -8.9490 -1.5531 -1.5531 5.1355 5.1355 5.5444 5.5444 8.1716 8.1716 8.4998 8.4998 10.2482 10.2482 10.2828 10.2828 10.3543 10.3543 11.6684 11.6684 12.2031 12.2031 14.7495 14.7495 14.9336 14.9336 15.0783 15.0783 16.0212 16.0212 k =-0.3302 0.2473 0.0000 ( 1718 PWs) bands (ev): -29.3920 -29.3920 -10.4703 -10.4703 -9.1475 -9.1475 -8.9493 -8.9493 -1.5276 -1.5276 5.1562 5.1562 5.5398 5.5398 8.0941 8.0941 8.4652 8.4652 10.2338 10.2338 10.2636 10.2636 10.3336 10.3336 11.6804 11.6804 12.2466 12.2466 14.7535 14.7535 14.9914 14.9914 15.1381 15.1381 16.0260 16.0260 k =-0.3396 0.2544 0.0000 ( 1720 PWs) bands (ev): -29.3913 -29.3913 -10.4739 -10.4739 -9.1540 -9.1540 -8.9497 -8.9497 -1.5031 -1.5031 5.1765 5.1765 5.5383 5.5383 8.0153 8.0153 8.4320 8.4320 10.2028 10.2028 10.2571 10.2571 10.3184 10.3184 11.6930 11.6930 12.2899 12.2899 14.7571 14.7571 15.0456 15.0456 15.1978 15.1978 16.0385 16.0385 k =-0.3491 0.2615 0.0000 ( 1720 PWs) bands (ev): -29.3907 -29.3907 -10.4773 -10.4773 -9.1602 -9.1602 -8.9500 -8.9500 -1.4795 -1.4795 5.1962 5.1962 5.5399 5.5399 7.9358 7.9358 8.4003 8.4003 10.1700 10.1700 10.2474 10.2474 10.3105 10.3105 11.7061 11.7061 12.3327 12.3327 14.7605 14.7605 15.0951 15.0951 15.2570 15.2570 16.0594 16.0594 k =-0.3585 0.2685 0.0000 ( 1716 PWs) bands (ev): -29.3900 -29.3900 -10.4807 -10.4807 -9.1661 -9.1661 -8.9502 -8.9502 -1.4570 -1.4570 5.2152 5.2152 5.5445 5.5445 7.8562 7.8562 8.3701 8.3701 10.1378 10.1378 10.2331 10.2331 10.3085 10.3085 11.7193 11.7193 12.3749 12.3749 14.7637 14.7637 15.1390 15.1390 15.3154 15.3154 16.0892 16.0892 k =-0.3679 0.2756 0.0000 ( 1716 PWs) bands (ev): -29.3894 -29.3894 -10.4838 -10.4838 -9.1717 -9.1717 -8.9505 -8.9505 -1.4357 -1.4357 5.2335 5.2335 5.5518 5.5518 7.7770 7.7770 8.3416 8.3416 10.1068 10.1068 10.2167 10.2167 10.3096 10.3096 11.7325 11.7325 12.4162 12.4162 14.7667 14.7667 15.1768 15.1768 15.3725 15.3725 16.1279 16.1279 k =-0.3774 0.2827 0.0000 ( 1708 PWs) bands (ev): -29.3888 -29.3888 -10.4868 -10.4868 -9.1770 -9.1770 -8.9507 -8.9507 -1.4155 -1.4155 5.2509 5.2509 5.5619 5.5619 7.6986 7.6986 8.3148 8.3148 10.0773 10.0773 10.1999 10.1999 10.3121 10.3121 11.7456 11.7456 12.4564 12.4564 14.7695 14.7695 15.2084 15.2084 15.4282 15.4282 16.1751 16.1751 k =-0.3868 0.2897 0.0000 ( 1706 PWs) bands (ev): -29.3882 -29.3882 -10.4897 -10.4897 -9.1820 -9.1820 -8.9509 -8.9509 -1.3967 -1.3967 5.2674 5.2674 5.5743 5.5743 7.6218 7.6218 8.2897 8.2897 10.0494 10.0494 10.1835 10.1835 10.3149 10.3149 11.7581 11.7581 12.4951 12.4951 14.7720 14.7720 15.2340 15.2340 15.4820 15.4820 16.2300 16.2300 k =-0.3962 0.2968 0.0000 ( 1706 PWs) bands (ev): -29.3877 -29.3877 -10.4923 -10.4923 -9.1866 -9.1866 -8.9511 -8.9511 -1.3792 -1.3792 5.2829 5.2829 5.5888 5.5888 7.5470 7.5470 8.2664 8.2664 10.0233 10.0233 10.1679 10.1679 10.3177 10.3177 11.7702 11.7702 12.5321 12.5321 14.7744 14.7744 15.2542 15.2542 15.5335 15.5335 16.2911 16.2911 k =-0.4057 0.3039 0.0000 ( 1712 PWs) bands (ev): -29.3873 -29.3873 -10.4948 -10.4948 -9.1908 -9.1908 -8.9512 -8.9512 -1.3631 -1.3631 5.2973 5.2973 5.6051 5.6051 7.4749 7.4749 8.2450 8.2450 9.9989 9.9989 10.1534 10.1534 10.3204 10.3204 11.7815 11.7815 12.5670 12.5670 14.7765 14.7765 15.2697 15.2697 15.5822 15.5822 16.3570 16.3570 k =-0.4151 0.3109 0.0000 ( 1712 PWs) bands (ev): -29.3868 -29.3868 -10.4970 -10.4970 -9.1947 -9.1947 -8.9514 -8.9514 -1.3483 -1.3483 5.3106 5.3106 5.6229 5.6229 7.4061 7.4061 8.2255 8.2255 9.9766 9.9766 10.1401 10.1401 10.3228 10.3228 11.7921 11.7921 12.5997 12.5997 14.7785 14.7785 15.2815 15.2815 15.6280 15.6280 16.4257 16.4257 k =-0.4245 0.3180 0.0000 ( 1720 PWs) bands (ev): -29.3864 -29.3864 -10.4991 -10.4991 -9.1982 -9.1982 -8.9515 -8.9515 -1.3351 -1.3351 5.3227 5.3227 5.6415 5.6415 7.3412 7.3412 8.2078 8.2078 9.9563 9.9563 10.1280 10.1280 10.3250 10.3250 11.8018 11.8018 12.6297 12.6297 14.7802 14.7802 15.2902 15.2902 15.6702 15.6702 16.4954 16.4954 k =-0.4340 0.3251 0.0000 ( 1720 PWs) bands (ev): -29.3861 -29.3861 -10.5009 -10.5009 -9.2013 -9.2013 -8.9516 -8.9516 -1.3233 -1.3233 5.3335 5.3335 5.6606 5.6606 7.2809 7.2809 8.1922 8.1922 9.9383 9.9383 10.1173 10.1173 10.3268 10.3268 11.8106 11.8106 12.6571 12.6571 14.7817 14.7817 15.2966 15.2966 15.7086 15.7086 16.5642 16.5642 k =-0.4434 0.3321 0.0000 ( 1714 PWs) bands (ev): -29.3858 -29.3858 -10.5025 -10.5025 -9.2040 -9.2040 -8.9517 -8.9517 -1.3130 -1.3130 5.3430 5.3430 5.6793 5.6793 7.2262 7.2262 8.1787 8.1787 9.9226 9.9226 10.1080 10.1080 10.3284 10.3284 11.8183 11.8183 12.6815 12.6815 14.7831 14.7831 15.3011 15.3011 15.7427 15.7427 16.6299 16.6299 k =-0.4528 0.3392 0.0000 ( 1718 PWs) bands (ev): -29.3855 -29.3855 -10.5038 -10.5038 -9.2063 -9.2063 -8.9517 -8.9517 -1.3043 -1.3043 5.3511 5.3511 5.6971 5.6971 7.1777 7.1777 8.1672 8.1672 9.9091 9.9091 10.1000 10.1000 10.3297 10.3297 11.8250 11.8250 12.7025 12.7025 14.7842 14.7842 15.3043 15.3043 15.7722 15.7722 16.6905 16.6905 k =-0.4623 0.3463 0.0000 ( 1724 PWs) bands (ev): -29.3853 -29.3853 -10.5050 -10.5050 -9.2081 -9.2081 -8.9518 -8.9518 -1.2972 -1.2972 5.3579 5.3579 5.7132 5.7132 7.1365 7.1365 8.1577 8.1577 9.8979 9.8979 10.0935 10.0935 10.3307 10.3307 11.8305 11.8305 12.7200 12.7200 14.7851 14.7851 15.3065 15.3065 15.7969 15.7969 16.7438 16.7438 k =-0.4717 0.3533 0.0000 ( 1720 PWs) bands (ev): -29.3851 -29.3851 -10.5058 -10.5058 -9.2096 -9.2096 -8.9518 -8.9518 -1.2916 -1.2916 5.3631 5.3631 5.7267 5.7267 7.1032 7.1032 8.1503 8.1503 9.8892 9.8892 10.0884 10.0884 10.3315 10.3315 11.8348 11.8348 12.7339 12.7339 14.7858 14.7858 15.3079 15.3079 15.8164 15.8164 16.7880 16.7880 k =-0.4811 0.3604 0.0000 ( 1720 PWs) bands (ev): -29.3850 -29.3850 -10.5064 -10.5064 -9.2107 -9.2107 -8.9519 -8.9519 -1.2876 -1.2876 5.3669 5.3669 5.7370 5.7370 7.0788 7.0788 8.1451 8.1451 9.8831 9.8831 10.0848 10.0848 10.3321 10.3321 11.8379 11.8379 12.7439 12.7439 14.7863 14.7863 15.3088 15.3088 15.8304 15.8304 16.8211 16.8211 k =-0.4906 0.3675 0.0000 ( 1720 PWs) bands (ev): -29.3849 -29.3849 -10.5068 -10.5068 -9.2113 -9.2113 -8.9519 -8.9519 -1.2852 -1.2852 5.3692 5.3692 5.7434 5.7434 7.0639 7.0639 8.1419 8.1419 9.8793 9.8793 10.0826 10.0826 10.3324 10.3324 11.8398 11.8398 12.7499 12.7499 14.7867 14.7867 15.3093 15.3093 15.8389 15.8389 16.8416 16.8416 k =-0.5000 0.3745 0.0000 ( 1722 PWs) bands (ev): -29.3849 -29.3849 -10.5070 -10.5070 -9.2115 -9.2115 -8.9519 -8.9519 -1.2844 -1.2844 5.3699 5.3699 5.7456 5.7456 7.0589 7.0589 8.1408 8.1408 9.8780 9.8780 10.0818 10.0818 10.3325 10.3325 11.8404 11.8404 12.7520 12.7520 14.7868 14.7868 15.3095 15.3095 15.8418 15.8418 16.8485 16.8485 k =-0.5000 0.3745 0.0000 ( 1722 PWs) bands (ev): -29.3849 -29.3849 -10.5070 -10.5070 -9.2115 -9.2115 -8.9519 -8.9519 -1.2844 -1.2844 5.3699 5.3699 5.7456 5.7456 7.0589 7.0589 8.1408 8.1408 9.8780 9.8780 10.0818 10.0818 10.3325 10.3325 11.8404 11.8404 12.7520 12.7520 14.7868 14.7868 15.3095 15.3095 15.8418 15.8418 16.8485 16.8485 k =-0.4931 0.3837-0.0000 ( 1716 PWs) bands (ev): -29.3849 -29.3849 -10.5074 -10.5064 -9.2125 -9.2103 -8.9522 -8.9516 -1.2856 -1.2834 5.3633 5.3674 5.7470 5.7473 7.0627 7.0634 8.1406 8.1411 9.8783 9.8797 10.0817 10.0849 10.3334 10.3340 11.8375 11.8406 12.7512 12.7528 14.7818 14.7828 15.3059 15.3103 15.8414 15.8444 16.8454 16.8492 k =-0.4863 0.3928-0.0000 ( 1716 PWs) bands (ev): -29.3849 -29.3849 -10.5078 -10.5057 -9.2133 -9.2090 -8.9525 -8.9515 -1.2870 -1.2826 5.3477 5.3557 5.7514 5.7519 7.0747 7.0762 8.1403 8.1415 9.8801 9.8829 10.0846 10.0908 10.3366 10.3378 11.8315 11.8376 12.7506 12.7538 14.7680 14.7699 15.2996 15.3083 15.8433 15.8491 16.8399 16.8474 k =-0.4794 0.4020-0.0000 ( 1712 PWs) bands (ev): -29.3850 -29.3850 -10.5080 -10.5050 -9.2140 -9.2076 -8.9529 -8.9513 -1.2886 -1.2821 5.3237 5.3354 5.7588 5.7593 7.0946 7.0966 8.1402 8.1419 9.8839 9.8879 10.0904 10.0997 10.3420 10.3440 11.8227 11.8318 12.7500 12.7548 14.7457 14.7485 15.2910 15.3037 15.8473 15.8557 16.8320 16.8430 k =-0.4726 0.4111-0.0000 ( 1712 PWs) bands (ev): -29.3851 -29.3851 -10.5082 -10.5042 -9.2146 -9.2060 -8.9533 -8.9512 -1.2905 -1.2819 5.2922 5.3071 5.7692 5.7696 7.1215 7.1238 8.1401 8.1423 9.8893 9.8945 10.0990 10.1113 10.3497 10.3524 11.8109 11.8229 12.7495 12.7560 14.7154 14.7189 15.2804 15.2966 15.8533 15.8638 16.8215 16.8360 k =-0.4657 0.4203-0.0000 ( 1716 PWs) bands (ev): -29.3852 -29.3852 -10.5083 -10.5033 -9.2150 -9.2043 -8.9537 -8.9511 -1.2927 -1.2819 5.2540 5.2717 5.7826 5.7827 7.1545 7.1569 8.1401 8.1429 9.8966 9.9028 10.1105 10.1257 10.3595 10.3630 11.7962 11.8112 12.7492 12.7573 14.6778 14.6820 15.2681 15.2874 15.8608 15.8729 16.8083 16.8261 k =-0.4589 0.4295-0.0000 ( 1708 PWs) bands (ev): -29.3853 -29.3853 -10.5083 -10.5023 -9.2151 -9.2024 -8.9542 -8.9511 -1.2950 -1.2822 5.2101 5.2303 5.7986 5.7989 7.1926 7.1948 8.1403 8.1436 9.9060 9.9130 10.1249 10.1429 10.3715 10.3759 11.7790 11.7969 12.7490 12.7588 14.6336 14.6383 15.2546 15.2766 15.8694 15.8828 16.7925 16.8133 k =-0.4520 0.4386-0.0000 ( 1714 PWs) bands (ev): -29.3854 -29.3854 -10.5082 -10.5012 -9.2152 -9.2004 -8.9548 -8.9512 -1.2977 -1.2829 5.1615 5.1837 5.8172 5.8181 7.2347 7.2366 8.1407 8.1445 9.9171 9.9248 10.1417 10.1624 10.3855 10.3910 11.7590 11.7797 12.7487 12.7603 14.5835 14.5887 15.2403 15.2644 15.8789 15.8931 16.7738 16.7975 k =-0.4451 0.4478-0.0000 ( 1710 PWs) bands (ev): -29.3856 -29.3855 -10.5080 -10.5001 -9.2151 -9.1982 -8.9553 -8.9512 -1.3006 -1.2838 5.1090 5.1331 5.8387 5.8401 7.2800 7.2813 8.1414 8.1457 9.9304 9.9384 10.1613 10.1845 10.4016 10.4082 11.7364 11.7599 12.7488 12.7622 14.5286 14.5340 15.2255 15.2514 15.8888 15.9033 16.7522 16.7786 k =-0.4383 0.4569-0.0000 ( 1714 PWs) bands (ev): -29.3857 -29.3857 -10.5077 -10.4988 -9.2148 -9.1960 -8.9559 -8.9513 -1.3039 -1.2852 5.0536 5.0791 5.8629 5.8649 7.3274 7.3279 8.1425 8.1472 9.9455 9.9537 10.1832 10.2089 10.4196 10.4274 11.7114 11.7376 12.7490 12.7643 14.4694 14.4749 15.2106 15.2378 15.8985 15.9130 16.7278 16.7565 k =-0.4314 0.4661-0.0000 ( 1710 PWs) bands (ev): -29.3859 -29.3859 -10.5073 -10.4975 -9.2143 -9.1935 -8.9565 -8.9514 -1.3074 -1.2869 4.9958 5.0226 5.8898 5.8924 7.3757 7.3762 8.1440 8.1492 9.9628 9.9709 10.2074 10.2354 10.4395 10.4487 11.6842 11.7130 12.7494 12.7666 14.4067 14.4123 15.1958 15.2241 15.9080 15.9221 16.7006 16.7314 k =-0.4246 0.4752-0.0000 ( 1710 PWs) bands (ev): -29.3861 -29.3861 -10.5067 -10.4961 -9.2136 -9.1910 -8.9572 -8.9515 -1.3113 -1.2890 4.9365 4.9643 5.9195 5.9227 7.4239 7.4256 8.1460 8.1515 9.9821 9.9897 10.2338 10.2639 10.4613 10.4719 11.6546 11.6860 12.7499 12.7692 14.3413 14.3467 15.1814 15.2104 15.9167 15.9302 16.6707 16.7034 k =-0.4177 0.4844-0.0000 ( 1706 PWs) bands (ev): -29.3864 -29.3864 -10.5061 -10.4947 -9.2128 -9.1883 -8.9578 -8.9517 -1.3156 -1.2915 4.8760 4.9047 5.9519 5.9556 7.4721 7.4750 8.1485 8.1544 10.0033 10.0102 10.2621 10.2943 10.4850 10.4971 11.6231 11.6570 12.7507 12.7720 14.2737 14.2789 15.1675 15.1969 15.9243 15.9368 16.6385 16.6728 k =-0.4108 0.4936-0.0000 ( 1706 PWs) bands (ev): -29.3866 -29.3866 -10.5054 -10.4931 -9.2117 -9.1854 -8.9585 -8.9518 -1.3202 -1.2946 4.8150 4.8444 5.9868 5.9911 7.5195 7.5237 8.1516 8.1579 10.0262 10.0321 10.2923 10.3263 10.5105 10.5242 11.5898 11.6262 12.7516 12.7751 14.2046 14.2094 15.1544 15.1840 15.9303 15.9416 16.6044 16.6400 k =-0.4040 0.5027-0.0000 ( 1706 PWs) bands (ev): -29.3869 -29.3869 -10.5046 -10.4915 -9.2105 -9.1824 -8.9591 -8.9520 -1.3253 -1.2982 4.7539 4.7839 6.0244 6.0292 7.5657 7.5714 8.1555 8.1621 10.0508 10.0553 10.3242 10.3598 10.5378 10.5530 11.5548 11.5937 12.7526 12.7785 14.1346 14.1389 15.1422 15.1717 15.9344 15.9442 16.5689 16.6057 k =-0.3971 0.5119-0.0000 ( 1706 PWs) bands (ev): -29.3872 -29.3872 -10.5037 -10.4898 -9.2091 -9.1793 -8.9598 -8.9522 -1.3309 -1.3023 4.6930 4.7234 6.0645 6.0698 7.6104 7.6176 8.1600 8.1670 10.0766 10.0796 10.3575 10.3945 10.5672 10.5838 11.5183 11.5597 12.7537 12.7820 14.0642 14.0678 15.1309 15.1601 15.9360 15.9440 16.5327 16.5704 k =-0.3903 0.5210-0.0000 ( 1701 PWs) bands (ev): -29.3875 -29.3875 -10.5026 -10.4881 -9.2074 -9.1761 -8.9604 -8.9524 -1.3369 -1.3070 4.6327 4.6634 6.1071 6.1128 7.6534 7.6620 8.1655 8.1728 10.1037 10.1048 10.3921 10.4302 10.5984 10.6163 11.4805 11.5245 12.7548 12.7858 13.9940 13.9967 15.1206 15.1493 15.9345 15.9405 16.4968 16.5351 k =-0.3903 0.5210-0.0000 ( 1701 PWs) bands (ev): -29.3875 -29.3875 -10.5026 -10.4881 -9.2074 -9.1761 -8.9604 -8.9524 -1.3369 -1.3070 4.6327 4.6634 6.1071 6.1128 7.6534 7.6620 8.1655 8.1728 10.1037 10.1048 10.3921 10.4302 10.5984 10.6163 11.4805 11.5245 12.7548 12.7858 13.9940 13.9967 15.1206 15.1493 15.9345 15.9405 16.4968 16.5351 k =-0.3903 0.5210 0.0118 ( 1705 PWs) bands (ev): -29.3875 -29.3874 -10.5027 -10.4881 -9.2073 -9.1760 -8.9608 -8.9528 -1.3371 -1.3072 4.6325 4.6633 6.1078 6.1136 7.6530 7.6619 8.1652 8.1724 10.1035 10.1049 10.3923 10.4304 10.5986 10.6167 11.4806 11.5246 12.7542 12.7852 13.9932 13.9962 15.1222 15.1509 15.9333 15.9393 16.4991 16.5374 k =-0.3903 0.5210 0.0236 ( 1701 PWs) bands (ev): -29.3874 -29.3873 -10.5028 -10.4882 -9.2069 -9.1756 -8.9620 -8.9539 -1.3374 -1.3076 4.6320 4.6628 6.1100 6.1162 7.6521 7.6615 8.1643 8.1713 10.1034 10.1055 10.3928 10.4308 10.5995 10.6184 11.4808 11.5247 12.7522 12.7833 13.9912 13.9946 15.1273 15.1557 15.9298 15.9358 16.5059 16.5444 k =-0.3903 0.5210 0.0354 ( 1701 PWs) bands (ev): -29.3872 -29.3872 -10.5030 -10.4884 -9.2063 -9.1751 -8.9640 -8.9557 -1.3380 -1.3084 4.6312 4.6621 6.1136 6.1204 7.6505 7.6609 8.1628 8.1694 10.1032 10.1062 10.3936 10.4315 10.6008 10.6210 11.4812 11.5250 12.7488 12.7803 13.9878 13.9918 15.1354 15.1634 15.9241 15.9301 16.5173 16.5559 k =-0.3903 0.5210 0.0472 ( 1700 PWs) bands (ev): -29.3869 -29.3869 -10.5034 -10.4887 -9.2054 -9.1743 -8.9667 -8.9583 -1.3388 -1.3094 4.6300 4.6610 6.1186 6.1263 7.6485 7.6601 8.1606 8.1669 10.1030 10.1071 10.3949 10.4325 10.6029 10.6244 11.4818 11.5253 12.7442 12.7760 13.9834 13.9879 15.1465 15.1738 15.9165 15.9225 16.5332 16.5721 k =-0.3903 0.5210 0.0590 ( 1700 PWs) bands (ev): -29.3866 -29.3866 -10.5038 -10.4891 -9.2043 -9.1733 -8.9702 -8.9616 -1.3398 -1.3107 4.6283 4.6595 6.1253 6.1338 7.6461 7.6590 8.1578 8.1636 10.1028 10.1081 10.3967 10.4339 10.6057 10.6286 11.4825 11.5258 12.7382 12.7705 13.9778 13.9829 15.1603 15.1866 15.9075 15.9135 16.5536 16.5927 k =-0.3903 0.5210 0.0709 ( 1706 PWs) bands (ev): -29.3863 -29.3862 -10.5043 -10.4895 -9.2030 -9.1722 -8.9744 -8.9656 -1.3411 -1.3123 4.6262 4.6575 6.1334 6.1429 7.6433 7.6576 8.1541 8.1598 10.1026 10.1092 10.3989 10.4356 10.6092 10.6335 11.4833 11.5263 12.7309 12.7637 13.9714 13.9768 15.1761 15.2013 15.8974 15.9036 16.5783 16.6176 k =-0.3903 0.5210 0.0827 ( 1708 PWs) bands (ev): -29.3858 -29.3858 -10.5049 -10.4901 -9.2014 -9.1708 -8.9792 -8.9702 -1.3426 -1.3142 4.6236 4.6550 6.1432 6.1537 7.6404 7.6562 8.1495 8.1553 10.1022 10.1104 10.4017 10.4378 10.6138 10.6391 11.4842 11.5269 12.7224 12.7558 13.9641 13.9698 15.1936 15.2173 15.8871 15.8937 16.6071 16.6468 k =-0.3903 0.5210 0.0945 ( 1706 PWs) bands (ev): -29.3853 -29.3853 -10.5056 -10.4907 -9.1996 -9.1693 -8.9846 -8.9755 -1.3444 -1.3163 4.6205 4.6519 6.1546 6.1661 7.6374 7.6547 8.1441 8.1503 10.1018 10.1117 10.4051 10.4405 10.6191 10.6453 11.4853 11.5276 12.7128 12.7469 13.9561 13.9618 15.2118 15.2338 15.8773 15.8846 16.6400 16.6799 k =-0.3903 0.5210 0.1063 ( 1709 PWs) bands (ev): -29.3848 -29.3847 -10.5064 -10.4914 -9.1976 -9.1675 -8.9907 -8.9814 -1.3463 -1.3187 4.6167 4.6482 6.1676 6.1801 7.6345 7.6533 8.1377 8.1448 10.1013 10.1130 10.4089 10.4436 10.6253 10.6521 11.4864 11.5283 12.7020 12.7369 13.9473 13.9529 15.2301 15.2499 15.8689 15.8776 16.6766 16.7168 k =-0.3903 0.5210 0.1181 ( 1706 PWs) bands (ev): -29.3841 -29.3841 -10.5073 -10.4923 -9.1955 -9.1657 -8.9972 -8.9878 -1.3484 -1.3214 4.6123 4.6437 6.1823 6.1957 7.6318 7.6520 8.1304 8.1388 10.1006 10.1143 10.4133 10.4472 10.6327 10.6597 11.4877 11.5292 12.6903 12.7260 13.9378 13.9432 15.2473 15.2645 15.8633 15.8738 16.7167 16.7571 k =-0.3903 0.5210 0.1299 ( 1708 PWs) bands (ev): -29.3835 -29.3835 -10.5084 -10.4932 -9.1931 -9.1636 -9.0042 -8.9947 -1.3508 -1.3243 4.6072 4.6384 6.1985 6.2128 7.6294 7.6510 8.1223 8.1320 10.0997 10.1156 10.4179 10.4513 10.6412 10.6681 11.4891 11.5301 12.6774 12.7140 13.9277 13.9326 15.2624 15.2767 15.8616 15.8744 16.7600 16.8006 k =-0.3903 0.5210 0.1417 ( 1710 PWs) bands (ev): -29.3828 -29.3827 -10.5095 -10.4943 -9.1906 -9.1615 -9.0116 -9.0021 -1.3533 -1.3275 4.6014 4.6322 6.2163 6.2314 7.6275 7.6504 8.1133 8.1246 10.0987 10.1168 10.4226 10.4558 10.6509 10.6774 11.4905 11.5310 12.6637 12.7012 13.9166 13.9211 15.2742 15.2854 15.8652 15.8807 16.8062 16.8469 k =-0.3903 0.5210 0.1535 ( 1712 PWs) bands (ev): -29.3820 -29.3820 -10.5107 -10.4955 -9.1880 -9.1593 -9.0193 -9.0099 -1.3560 -1.3309 4.5948 4.6252 6.2355 6.2514 7.6262 7.6503 8.1035 8.1165 10.0976 10.1179 10.4273 10.4606 10.6620 10.6879 11.4920 11.5319 12.6491 12.6876 13.9046 13.9089 15.2818 15.2899 15.8752 15.8935 16.8551 16.8957 k =-0.3903 0.5210 0.1653 ( 1716 PWs) bands (ev): -29.3812 -29.3812 -10.5121 -10.4968 -9.1853 -9.1570 -9.0272 -9.0180 -1.3590 -1.3346 4.5875 4.6173 6.2562 6.2726 7.6257 7.6509 8.0928 8.1075 10.0963 10.1188 10.4316 10.4655 10.6748 10.6998 11.4935 11.5328 12.6336 12.6733 13.8912 13.8960 15.2846 15.2899 15.8922 15.9133 16.9062 16.9468 k =-0.3903 0.5210 0.1771 ( 1718 PWs) bands (ev): -29.3803 -29.3803 -10.5135 -10.4982 -9.1826 -9.1547 -9.0353 -9.0264 -1.3620 -1.3384 4.5794 4.6085 6.2781 6.2949 7.6262 7.6523 8.0815 8.0979 10.0950 10.1197 10.4354 10.4704 10.6893 10.7133 11.4951 11.5338 12.6175 12.6584 13.8764 13.8824 15.2822 15.2858 15.9165 15.9402 16.9593 16.9997 k =-0.3903 0.5210 0.1890 ( 1715 PWs) bands (ev): -29.3794 -29.3794 -10.5151 -10.4997 -9.1798 -9.1524 -9.0434 -9.0350 -1.3653 -1.3424 4.5705 4.5989 6.3012 6.3183 7.6278 7.6546 8.0694 8.0875 10.0935 10.1204 10.4385 10.4749 10.7058 10.7289 11.4968 11.5348 12.6008 12.6431 13.8600 13.8678 15.2746 15.2785 15.9477 15.9736 17.0141 17.0542 k =-0.3903 0.5210 0.2008 ( 1714 PWs) bands (ev): -29.3785 -29.3785 -10.5167 -10.5014 -9.1771 -9.1502 -9.0514 -9.0438 -1.3687 -1.3467 4.5610 4.5884 6.3253 6.3425 7.6306 7.6580 8.0566 8.0764 10.0921 10.1209 10.4408 10.4788 10.7244 10.7466 11.4984 11.5359 12.5834 12.6273 13.8419 13.8520 15.2628 15.2683 15.9852 16.0130 17.0703 17.1098 k =-0.3903 0.5210 0.2126 ( 1718 PWs) bands (ev): -29.3776 -29.3776 -10.5185 -10.5032 -9.1745 -9.1481 -9.0592 -9.0525 -1.3722 -1.3511 4.5507 4.5771 6.3501 6.3674 7.6348 7.6625 8.0432 8.0644 10.0905 10.1214 10.4420 10.4817 10.7452 10.7668 11.5001 11.5369 12.5656 12.6111 13.8219 13.8348 15.2481 15.2555 16.0282 16.0574 17.1275 17.1664 k =-0.3903 0.5210 0.2244 ( 1720 PWs) bands (ev): -29.3766 -29.3766 -10.5204 -10.5051 -9.1721 -9.1463 -9.0666 -9.0612 -1.3758 -1.3556 4.5399 4.5651 6.3757 6.3927 7.6405 7.6683 8.0291 8.0518 10.0890 10.1217 10.4422 10.4836 10.7683 10.7895 11.5018 11.5380 12.5473 12.5948 13.8001 13.8160 15.2316 15.2408 16.0757 16.1061 17.1855 17.2235 k =-0.3903 0.5210 0.2362 ( 1723 PWs) bands (ev): -29.3756 -29.3756 -10.5224 -10.5072 -9.1701 -9.1449 -9.0734 -9.0697 -1.3796 -1.3603 4.5284 4.5524 6.4016 6.4183 7.6478 7.6754 8.0146 8.0385 10.0876 10.1219 10.4412 10.4842 10.7937 10.8150 11.5035 11.5390 12.5287 12.5782 13.7762 13.7955 15.2139 15.2247 16.1269 16.1583 17.2441 17.2809 k =-0.3903 0.5210 0.2480 ( 1725 PWs) bands (ev): -29.3747 -29.3746 -10.5244 -10.5093 -9.1686 -9.1440 -9.0797 -9.0776 -1.3834 -1.3651 4.5165 4.5392 6.4278 6.4440 7.6567 7.6840 7.9996 8.0246 10.0863 10.1222 10.4390 10.4835 10.8214 10.8431 11.5052 11.5401 12.5098 12.5617 13.7502 13.7730 15.1957 15.2079 16.1808 16.2131 17.3030 17.3384 k =-0.3903 0.5210 0.2598 ( 1725 PWs) bands (ev): -29.3736 -29.3736 -10.5265 -10.5116 -9.1678 -9.1438 -9.0862 -9.0837 -1.3874 -1.3699 4.5041 4.5254 6.4540 6.4697 7.6672 7.6940 7.9842 8.0102 10.0851 10.1224 10.4355 10.4813 10.8516 10.8740 11.5069 11.5411 12.4909 12.5453 13.7219 13.7485 15.1773 15.1910 16.2368 16.2698 17.3619 17.3956 k =-0.3903 0.5210 0.2716 ( 1725 PWs) bands (ev): -29.3726 -29.3726 -10.5287 -10.5140 -9.1680 -9.1444 -9.0928 -9.0875 -1.3913 -1.3749 4.4914 4.5114 6.4800 6.4950 7.6792 7.7054 7.9687 7.9953 10.0842 10.1226 10.4309 10.4778 10.8841 10.9075 11.5086 11.5421 12.4717 12.5289 13.6913 13.7217 15.1592 15.1743 16.2940 16.3276 17.4208 17.4524 k =-0.3903 0.5210 0.2834 ( 1727 PWs) bands (ev): -29.3716 -29.3716 -10.5310 -10.5164 -9.1693 -9.1461 -9.0985 -9.0899 -1.3953 -1.3798 4.4784 4.4970 6.5057 6.5199 7.6925 7.7181 7.9533 7.9802 10.0834 10.1230 10.4252 10.4730 10.9187 10.9434 11.5103 11.5431 12.4525 12.5126 13.6583 13.6926 15.1416 15.1580 16.3516 16.3859 17.4794 17.5085 k =-0.3903 0.5210 0.2952 ( 1729 PWs) bands (ev): -29.3706 -29.3706 -10.5333 -10.5190 -9.1718 -9.1489 -9.1027 -9.0910 -1.3993 -1.3848 4.4653 4.4824 6.5308 6.5442 7.7069 7.7320 7.9380 7.9651 10.0828 10.1235 10.4183 10.4669 10.9556 10.9817 11.5120 11.5442 12.4333 12.4966 13.6229 13.6613 15.1248 15.1423 16.4091 16.4439 17.5377 17.5636 k =-0.3903 0.5210 0.3070 ( 1731 PWs) bands (ev): -29.3697 -29.3697 -10.5357 -10.5216 -9.1754 -9.1529 -9.1052 -9.0910 -1.4034 -1.3898 4.4520 4.4678 6.5553 6.5678 7.7216 7.7469 7.9235 7.9504 10.0825 10.1240 10.4104 10.4596 10.9945 11.0223 11.5137 11.5452 12.4142 12.4809 13.5853 13.6277 15.1087 15.1273 16.4655 16.5008 17.5953 17.6176 k =-0.3903 0.5210 0.3189 ( 1729 PWs) bands (ev): -29.3687 -29.3687 -10.5380 -10.5242 -9.1798 -9.1579 -9.1063 -9.0903 -1.4073 -1.3947 4.4388 4.4533 6.5790 6.5906 7.7358 7.7626 7.9102 7.9369 10.0826 10.1249 10.4015 10.4512 11.0353 11.0649 11.5155 11.5463 12.3952 12.4655 13.5455 13.5918 15.0937 15.1132 16.5202 16.5559 17.6523 17.6703 k =-0.3903 0.5210 0.3307 ( 1725 PWs) bands (ev): -29.3677 -29.3677 -10.5404 -10.5269 -9.1847 -9.1637 -9.1061 -9.0890 -1.4113 -1.3995 4.4257 4.4389 6.6018 6.6126 7.7477 7.7784 7.8987 7.9257 10.0831 10.1260 10.3917 10.4417 11.0779 11.1095 11.5172 11.5473 12.3764 12.4504 13.5036 13.5538 15.0795 15.0999 16.5725 16.6086 17.7077 17.7217 k =-0.3903 0.5210 0.3425 ( 1727 PWs) bands (ev): -29.3668 -29.3668 -10.5428 -10.5296 -9.1900 -9.1699 -9.1051 -9.0873 -1.4152 -1.4042 4.4128 4.4247 6.6235 6.6337 7.7555 7.7932 7.8899 7.9191 10.0838 10.1274 10.3810 10.4313 11.1222 11.1558 11.5190 11.5484 12.3576 12.4357 13.4598 13.5138 15.0664 15.0874 16.6216 16.6579 17.7593 17.7728 k =-0.3903 0.5210 0.3543 ( 1729 PWs) bands (ev): -29.3659 -29.3659 -10.5451 -10.5323 -9.1953 -9.1763 -9.1035 -9.0854 -1.4189 -1.4089 4.4001 4.4109 6.6443 6.6538 7.7578 7.8040 7.8859 7.9189 10.0850 10.1291 10.3695 10.4200 11.1678 11.2036 11.5208 11.5494 12.3391 12.4212 13.4144 13.4720 15.0541 15.0757 16.6670 16.7034 17.8039 17.8245 k =-0.3903 0.5210 0.3661 ( 1731 PWs) bands (ev): -29.3651 -29.3651 -10.5474 -10.5350 -9.2007 -9.1826 -9.1016 -9.0833 -1.4226 -1.4133 4.3878 4.3976 6.6639 6.6729 7.7545 7.8068 7.8902 7.9256 10.0865 10.1311 10.3574 10.4080 11.2147 11.2527 11.5228 11.5506 12.3207 12.4071 13.3677 13.4287 15.0428 15.0648 16.7081 16.7444 17.8401 17.8739 k =-0.3903 0.5210 0.3779 ( 1729 PWs) bands (ev): -29.3643 -29.3643 -10.5496 -10.5377 -9.2058 -9.1888 -9.0994 -9.0812 -1.4262 -1.4176 4.3760 4.3849 6.6824 6.6910 7.7467 7.8011 7.9031 7.9378 10.0886 10.1336 10.3447 10.3953 11.2625 11.3028 11.5251 11.5517 12.3025 12.3932 13.3199 13.3842 15.0323 15.0547 16.7446 16.7806 17.8673 17.9145 k =-0.3903 0.5210 0.3897 ( 1725 PWs) bands (ev): -29.3635 -29.3635 -10.5517 -10.5402 -9.2107 -9.1948 -9.0972 -9.0790 -1.4296 -1.4216 4.3646 4.3728 6.6998 6.7081 7.7359 7.7902 7.9213 7.9537 10.0912 10.1365 10.3315 10.3821 11.3111 11.3534 11.5279 11.5530 12.2845 12.3794 13.2716 13.3388 15.0227 15.0452 16.7764 16.8119 17.8865 17.9385 k =-0.3903 0.5210 0.4015 ( 1721 PWs) bands (ev): -29.3628 -29.3628 -10.5537 -10.5427 -9.2153 -9.2005 -9.0950 -9.0769 -1.4328 -1.4255 4.3538 4.3614 6.7161 6.7241 7.7235 7.7770 7.9419 7.9717 10.0943 10.1400 10.3179 10.3685 11.3599 11.4035 11.5319 11.5546 12.2666 12.3657 13.2232 13.2930 15.0139 15.0365 16.8034 16.8381 17.9003 17.9489 k =-0.3903 0.5210 0.4133 ( 1721 PWs) bands (ev): -29.3621 -29.3621 -10.5556 -10.5451 -9.2196 -9.2059 -9.0929 -9.0749 -1.4358 -1.4290 4.3436 4.3508 6.7311 6.7389 7.7104 7.7630 7.9631 7.9906 10.0980 10.1440 10.3040 10.3545 11.4083 11.4508 11.5392 11.5568 12.2488 12.3518 13.1753 13.2471 15.0059 15.0285 16.8258 16.8597 17.9116 17.9545 k =-0.3903 0.5210 0.4251 ( 1727 PWs) bands (ev): -29.3615 -29.3615 -10.5574 -10.5473 -9.2235 -9.2108 -9.0908 -9.0731 -1.4387 -1.4323 4.3341 4.3411 6.7450 6.7526 7.6972 7.7490 7.9842 8.0095 10.1022 10.1484 10.2898 10.3402 11.4548 11.4887 11.5552 11.5613 12.2311 12.3373 13.1284 13.2017 14.9986 15.0211 16.8440 16.8769 17.9221 17.9598 k =-0.3903 0.5210 0.4370 ( 1721 PWs) bands (ev): -29.3609 -29.3609 -10.5590 -10.5494 -9.2270 -9.2153 -9.0889 -9.0713 -1.4413 -1.4353 4.3254 4.3323 6.7578 6.7651 7.6844 7.7355 8.0043 8.0279 10.1072 10.1536 10.2758 10.3260 11.4943 11.5114 11.5668 11.5915 12.2136 12.3222 13.0835 13.1574 14.9921 15.0144 16.8583 16.8902 17.9325 17.9660 k =-0.3903 0.5210 0.4488 ( 1719 PWs) bands (ev): -29.3604 -29.3604 -10.5605 -10.5513 -9.2300 -9.2194 -9.0871 -9.0697 -1.4436 -1.4380 4.3176 4.3245 6.7692 6.7763 7.6724 7.7229 8.0231 8.0452 10.1127 10.1594 10.2617 10.3117 11.5116 11.5315 11.5866 11.6363 12.1965 12.3061 13.0413 13.1150 14.9863 15.0085 16.8695 16.9003 17.9429 17.9732 k =-0.3903 0.5210 0.4606 ( 1721 PWs) bands (ev): -29.3600 -29.3600 -10.5618 -10.5530 -9.2327 -9.2231 -9.0856 -9.0683 -1.4457 -1.4403 4.3107 4.3177 6.7794 6.7861 7.6614 7.7113 8.0402 8.0611 10.1189 10.1658 10.2477 10.2975 11.5168 11.5422 11.6220 11.6834 12.1798 12.2884 13.0028 13.0750 14.9813 15.0032 16.8778 16.9078 17.9531 17.9811 k =-0.3903 0.5210 0.4724 ( 1719 PWs) bands (ev): -29.3596 -29.3596 -10.5628 -10.5545 -9.2348 -9.2262 -9.0842 -9.0671 -1.4476 -1.4423 4.3047 4.3118 6.7882 6.7946 7.6517 7.7012 8.0552 8.0751 10.1258 10.1729 10.2340 10.2836 11.5195 11.5464 11.6624 11.7289 12.1643 12.2690 12.9688 13.0384 14.9770 14.9987 16.8840 16.9131 17.9626 17.9891 k =-0.3903 0.5210 0.4842 ( 1717 PWs) bands (ev): -29.3593 -29.3593 -10.5637 -10.5557 -9.2366 -9.2288 -9.0831 -9.0661 -1.4491 -1.4439 4.2998 4.3070 6.7956 6.8015 7.6434 7.6926 8.0678 8.0869 10.1335 10.1806 10.2209 10.2700 11.5212 11.5486 11.7019 11.7705 12.1511 12.2478 12.9403 13.0061 14.9735 14.9950 16.8884 16.9167 17.9711 17.9966 k =-0.3903 0.5210 0.4960 ( 1711 PWs) bands (ev): -29.3590 -29.3590 -10.5644 -10.5567 -9.2379 -9.2309 -9.0822 -9.0653 -1.4502 -1.4452 4.2959 4.3033 6.8015 6.8070 7.6369 7.6857 8.0779 8.0964 10.1419 10.1885 10.2086 10.2569 11.5223 11.5498 11.7379 11.8056 12.1420 12.2250 12.9180 12.9791 14.9708 14.9921 16.8914 16.9192 17.9781 18.0032 k =-0.3903 0.5210 0.5078 ( 1713 PWs) bands (ev): -29.3589 -29.3589 -10.5649 -10.5574 -9.2388 -9.2324 -9.0816 -9.0648 -1.4511 -1.4461 4.2931 4.3006 6.8057 6.8109 7.6321 7.6807 8.0852 8.1033 10.1509 10.1917 10.2023 10.2443 11.5230 11.5504 11.7677 11.8316 12.1389 12.2014 12.9022 12.9585 14.9688 14.9900 16.8933 16.9207 17.9834 18.0083 k =-0.3903 0.5210 0.5196 ( 1707 PWs) bands (ev): -29.3587 -29.3587 -10.5652 -10.5578 -9.2393 -9.2334 -9.0812 -9.0644 -1.4516 -1.4466 4.2914 4.2990 6.8083 6.8133 7.6292 7.6776 8.0897 8.1075 10.1606 10.1822 10.2099 10.2325 11.5234 11.5508 11.7884 11.8467 12.1439 12.1788 12.8929 12.9456 14.9677 14.9888 16.8944 16.9215 17.9867 18.0115 k =-0.3903 0.5210 0.5314 ( 1706 PWs) bands (ev): -29.3587 -29.3587 -10.5653 -10.5580 -9.2395 -9.2337 -9.0811 -9.0643 -1.4518 -1.4468 4.2909 4.2984 6.8092 6.8140 7.6282 7.6766 8.0912 8.1089 10.1693 10.1731 10.2177 10.2237 11.5236 11.5510 11.7959 11.8514 12.1531 12.1634 12.8898 12.9411 14.9673 14.9884 16.8947 16.9218 17.9878 18.0125 k =-0.3903 0.5210 0.5314 ( 1706 PWs) bands (ev): -29.3587 -29.3587 -10.5653 -10.5580 -9.2395 -9.2337 -9.0811 -9.0643 -1.4518 -1.4468 4.2909 4.2984 6.8092 6.8140 7.6282 7.6766 8.0912 8.1089 10.1693 10.1731 10.2177 10.2237 11.5236 11.5510 11.7959 11.8514 12.1531 12.1634 12.8898 12.9411 14.9673 14.9884 16.8947 16.9218 17.9878 18.0125 k =-0.3971 0.5119 0.5314 ( 1708 PWs) bands (ev): -29.3584 -29.3584 -10.5659 -10.5588 -9.2397 -9.2343 -9.0824 -9.0665 -1.4509 -1.4462 4.3245 4.3320 6.7486 6.7529 7.6249 7.6711 8.0986 8.1155 10.1274 10.1399 10.2174 10.2330 11.5605 11.5868 11.8169 11.8705 12.1541 12.1640 12.8812 12.9309 14.9601 14.9796 16.9463 16.9722 17.9731 17.9957 k =-0.4040 0.5027 0.5314 ( 1710 PWs) bands (ev): -29.3581 -29.3581 -10.5663 -10.5596 -9.2400 -9.2349 -9.0836 -9.0685 -1.4501 -1.4456 4.3597 4.3672 6.6876 6.6914 7.6212 7.6651 8.1055 8.1216 10.0817 10.0941 10.2331 10.2493 11.5956 11.6208 11.8371 11.8884 12.1552 12.1648 12.8712 12.9191 14.9555 14.9733 16.9974 17.0221 17.9621 17.9828 k =-0.4108 0.4936 0.5314 ( 1714 PWs) bands (ev): -29.3578 -29.3578 -10.5668 -10.5604 -9.2402 -9.2355 -9.0846 -9.0705 -1.4494 -1.4451 4.3964 4.4037 6.6265 6.6297 7.6173 7.6587 8.1119 8.1271 10.0379 10.0495 10.2507 10.2668 11.6290 11.6529 11.8563 11.9051 12.1564 12.1655 12.8604 12.9061 14.9529 14.9689 17.0479 17.0714 17.9548 17.9735 k =-0.4177 0.4844 0.5314 ( 1718 PWs) bands (ev): -29.3576 -29.3576 -10.5672 -10.5612 -9.2405 -9.2361 -9.0855 -9.0723 -1.4488 -1.4448 4.4342 4.4414 6.5656 6.5683 7.6132 7.6521 8.1177 8.1320 9.9972 10.0079 10.2686 10.2843 11.6605 11.6829 11.8744 11.9205 12.1577 12.1663 12.8490 12.8923 14.9519 14.9662 17.0975 17.1198 17.9511 17.9680 k =-0.4246 0.4752 0.5314 ( 1718 PWs) bands (ev): -29.3573 -29.3573 -10.5675 -10.5620 -9.2407 -9.2367 -9.0862 -9.0740 -1.4482 -1.4445 4.4728 4.4797 6.5054 6.5077 7.6092 7.6453 8.1232 8.1364 9.9597 9.9696 10.2862 10.3014 11.6900 11.7108 11.8914 11.9346 12.1591 12.1672 12.8375 12.8781 14.9521 14.9648 17.1459 17.1669 17.9508 17.9658 k =-0.4314 0.4661 0.5314 ( 1718 PWs) bands (ev): -29.3571 -29.3571 -10.5678 -10.5627 -9.2409 -9.2373 -9.0868 -9.0756 -1.4477 -1.4443 4.5118 4.5184 6.4464 6.4482 7.6054 7.6385 8.1281 8.1403 9.9256 9.9346 10.3034 10.3177 11.7174 11.7365 11.9072 11.9472 12.1605 12.1680 12.8262 12.8639 14.9532 14.9642 17.1928 17.2123 17.9535 17.9668 k =-0.4383 0.4569 0.5314 ( 1722 PWs) bands (ev): -29.3569 -29.3569 -10.5681 -10.5634 -9.2411 -9.2379 -9.0873 -9.0771 -1.4473 -1.4441 4.5506 4.5570 6.3891 6.3904 7.6017 7.6318 8.1326 8.1437 9.8948 9.9029 10.3196 10.3331 11.7425 11.7599 11.9218 11.9584 12.1620 12.1687 12.8153 12.8499 14.9548 14.9643 17.2377 17.2557 17.9589 17.9705 k =-0.4451 0.4478 0.5314 ( 1722 PWs) bands (ev): -29.3568 -29.3568 -10.5682 -10.5640 -9.2413 -9.2384 -9.0876 -9.0785 -1.4468 -1.4440 4.5889 4.5948 6.3342 6.3351 7.5984 7.6254 8.1366 8.1466 9.8674 9.8747 10.3349 10.3474 11.7652 11.7808 11.9351 11.9682 12.1634 12.1694 12.8052 12.8364 14.9567 14.9648 17.2802 17.2966 17.9665 17.9765 k =-0.4520 0.4386 0.5314 ( 1718 PWs) bands (ev): -29.3566 -29.3566 -10.5684 -10.5646 -9.2415 -9.2389 -9.0878 -9.0797 -1.4465 -1.4440 4.6259 4.6314 6.2823 6.2829 7.5955 7.6193 8.1402 8.1491 9.8434 9.8498 10.3490 10.3603 11.7857 11.7994 11.9472 11.9764 12.1647 12.1700 12.7961 12.8238 14.9588 14.9656 17.3198 17.3345 17.9758 17.9842 k =-0.4589 0.4295 0.5314 ( 1722 PWs) bands (ev): -29.3565 -29.3565 -10.5684 -10.5652 -9.2416 -9.2394 -9.0878 -9.0809 -1.4462 -1.4440 4.6609 4.6658 6.2344 6.2346 7.5930 7.6136 8.1434 8.1510 9.8227 9.8282 10.3618 10.3718 11.8036 11.8154 11.9579 11.9832 12.1660 12.1705 12.7881 12.8122 14.9608 14.9664 17.3559 17.3689 17.9860 17.9931 k =-0.4657 0.4203 0.5314 ( 1726 PWs) bands (ev): -29.3564 -29.3564 -10.5685 -10.5658 -9.2417 -9.2399 -9.0878 -9.0820 -1.4459 -1.4440 4.6929 4.6972 6.1913 6.1913 7.5911 7.6083 8.1461 8.1525 9.8053 9.8099 10.3730 10.3815 11.8189 11.8288 11.9673 11.9886 12.1671 12.1709 12.7815 12.8018 14.9627 14.9672 17.3880 17.3990 17.9966 18.0023 k =-0.4726 0.4111 0.5314 ( 1726 PWs) bands (ev): -29.3563 -29.3563 -10.5684 -10.5663 -9.2417 -9.2403 -9.0877 -9.0830 -1.4456 -1.4441 4.7212 4.7247 6.1538 6.1540 7.5898 7.6036 8.1485 8.1537 9.7913 9.7950 10.3826 10.3895 11.8317 11.8396 11.9753 11.9925 12.1682 12.1712 12.7763 12.7927 14.9644 14.9678 17.4155 17.4245 18.0068 18.0112 k =-0.4794 0.4020 0.5314 ( 1726 PWs) bands (ev): -29.3562 -29.3562 -10.5683 -10.5667 -9.2417 -9.2406 -9.0874 -9.0839 -1.4453 -1.4442 4.7446 4.7474 6.1233 6.1235 7.5891 7.5995 8.1505 8.1544 9.7805 9.7832 10.3903 10.3956 11.8419 11.8479 11.9821 11.9950 12.1691 12.1713 12.7727 12.7851 14.9658 14.9683 17.4378 17.4447 18.0158 18.0191 k =-0.4863 0.3928 0.5314 ( 1730 PWs) bands (ev): -29.3561 -29.3561 -10.5682 -10.5671 -9.2416 -9.2409 -9.0871 -9.0847 -1.4451 -1.4444 4.7623 4.7642 6.1007 6.1009 7.5891 7.5961 8.1521 8.1547 9.7729 9.7748 10.3961 10.3997 11.8495 11.8534 11.9875 11.9961 12.1699 12.1713 12.7707 12.7789 14.9669 14.9686 17.4545 17.4592 18.0230 18.0251 k =-0.4931 0.3837 0.5314 ( 1728 PWs) bands (ev): -29.3561 -29.3561 -10.5680 -10.5674 -9.2415 -9.2412 -9.0866 -9.0855 -1.4449 -1.4445 4.7735 4.7745 6.0868 6.0869 7.5898 7.5933 8.1533 8.1546 9.7686 9.7695 10.4001 10.4019 11.8544 11.8563 11.9916 11.9960 12.1705 12.1713 12.7703 12.7744 14.9678 14.9686 17.4652 17.4676 18.0278 18.0288 k =-0.5000 0.3745 0.5314 ( 1720 PWs) bands (ev): -29.3561 -29.3561 -10.5677 -10.5677 -9.2414 -9.2414 -9.0861 -9.0861 -1.4447 -1.4447 4.7777 4.7777 6.0822 6.0822 7.5912 7.5912 8.1541 8.1541 9.7676 9.7676 10.4021 10.4021 11.8567 11.8567 11.9945 11.9945 12.1710 12.1710 12.7716 12.7716 14.9683 14.9683 17.4696 17.4696 18.0298 18.0298 k =-0.5000 0.3745 0.5314 ( 1720 PWs) bands (ev): -29.3561 -29.3561 -10.5677 -10.5677 -9.2414 -9.2414 -9.0861 -9.0861 -1.4447 -1.4447 4.7777 4.7777 6.0822 6.0822 7.5912 7.5912 8.1541 8.1541 9.7676 9.7676 10.4021 10.4021 11.8567 11.8567 11.9945 11.9945 12.1710 12.1710 12.7716 12.7716 14.9683 14.9683 17.4696 17.4696 18.0298 18.0298 k =-0.5000 0.3745 0.5196 ( 1728 PWs) bands (ev): -29.3561 -29.3561 -10.5680 -10.5673 -9.2418 -9.2405 -9.0863 -9.0860 -1.4447 -1.4443 4.7783 4.7784 6.0817 6.0818 7.5919 7.5927 8.1522 8.1522 9.7667 9.7682 10.4009 10.4029 11.8561 11.8569 11.9564 12.0032 12.1514 12.2139 12.7677 12.7842 14.9675 14.9682 17.4593 17.4636 18.0355 18.0413 k =-0.5000 0.3745 0.5078 ( 1728 PWs) bands (ev): -29.3562 -29.3562 -10.5680 -10.5665 -9.2418 -9.2391 -9.0868 -9.0862 -1.4442 -1.4434 4.7803 4.7804 6.0804 6.0806 7.5949 7.5964 8.1465 8.1466 9.7656 9.7687 10.3996 10.4036 11.8542 11.8570 11.9078 11.9709 12.1673 12.2618 12.7732 12.8052 14.9657 14.9672 17.4345 17.4423 18.0575 18.0684 k =-0.5000 0.3745 0.4960 ( 1732 PWs) bands (ev): -29.3564 -29.3564 -10.5678 -10.5656 -9.2413 -9.2373 -9.0875 -9.0866 -1.4433 -1.4422 4.7837 4.7838 6.0782 6.0785 7.6000 7.6022 8.1370 8.1372 9.7642 9.7688 10.3981 10.4040 11.8391 11.8568 11.8670 11.9175 12.1992 12.3074 12.7890 12.8340 14.9630 14.9652 17.3984 17.4087 18.0926 18.1075 k =-0.5000 0.3745 0.4842 ( 1732 PWs) bands (ev): -29.3567 -29.3567 -10.5674 -10.5644 -9.2403 -9.2350 -9.0884 -9.0871 -1.4420 -1.4405 4.7884 4.7886 6.0753 6.0757 7.6072 7.6100 8.1239 8.1241 9.7628 9.7689 10.3962 10.4042 11.7877 11.8517 11.8598 11.8616 12.2337 12.3479 12.8154 12.8702 14.9594 14.9624 17.3546 17.3665 18.1374 18.1553 k =-0.5000 0.3745 0.4724 ( 1728 PWs) bands (ev): -29.3570 -29.3570 -10.5668 -10.5631 -9.2389 -9.2323 -9.0894 -9.0878 -1.4402 -1.4383 4.7945 4.7947 6.0716 6.0722 7.6165 7.6198 8.1072 8.1075 9.7612 9.7687 10.3944 10.4043 11.7288 11.7923 11.8574 11.8585 12.2665 12.3820 12.8523 12.9132 14.9550 14.9587 17.3057 17.3184 18.1889 18.2090 k =-0.5000 0.3745 0.4606 ( 1726 PWs) bands (ev): -29.3573 -29.3573 -10.5659 -10.5615 -9.2371 -9.2292 -9.0906 -9.0887 -1.4380 -1.4358 4.8018 4.8020 6.0672 6.0681 7.6277 7.6313 8.0871 8.0876 9.7594 9.7683 10.3924 10.4041 11.6682 11.7279 11.8571 11.8578 12.2967 12.4098 12.8989 12.9624 14.9499 14.9542 17.2535 17.2667 18.2449 18.2662 k =-0.5000 0.3745 0.4488 ( 1730 PWs) bands (ev): -29.3578 -29.3578 -10.5648 -10.5598 -9.2348 -9.2256 -9.0920 -9.0897 -1.4354 -1.4329 4.8104 4.8107 6.0622 6.0634 7.6407 7.6445 8.0637 8.0644 9.7575 9.7678 10.3900 10.4035 11.6070 11.6631 11.8567 11.8572 12.3241 12.4323 12.9537 13.0170 14.9439 14.9490 17.1993 17.2126 18.3040 18.3227 k =-0.5000 0.3745 0.4370 ( 1734 PWs) bands (ev): -29.3583 -29.3583 -10.5636 -10.5579 -9.2322 -9.2217 -9.0935 -9.0909 -1.4325 -1.4296 4.8202 4.8205 6.0566 6.0581 7.6553 7.6590 8.0372 8.0384 9.7555 9.7671 10.3873 10.4026 11.5458 11.5986 11.8564 11.8567 12.3489 12.4506 13.0150 13.0761 14.9374 14.9431 17.1439 17.1573 18.3211 18.3246 k =-0.5000 0.3745 0.4251 ( 1734 PWs) bands (ev): -29.3589 -29.3589 -10.5622 -10.5559 -9.2291 -9.2174 -9.0952 -9.0921 -1.4292 -1.4260 4.8312 4.8316 6.0506 6.0525 7.6714 7.6747 8.0079 8.0097 9.7534 9.7664 10.3843 10.4014 11.4849 11.5347 11.8560 11.8562 12.3717 12.4661 13.0813 13.1392 14.9303 14.9365 17.0880 17.1012 18.2683 18.2686 k =-0.5000 0.3745 0.4133 ( 1732 PWs) bands (ev): -29.3595 -29.3595 -10.5606 -10.5537 -9.2257 -9.2128 -9.0969 -9.0934 -1.4255 -1.4220 4.8433 4.8437 6.0441 6.0465 7.6889 7.6911 7.9759 7.9789 9.7513 9.7656 10.3812 10.3999 11.4246 11.4718 11.8554 11.8556 12.3927 12.4796 13.1514 13.2053 14.9226 14.9295 17.0320 17.0450 18.2076 18.2095 k =-0.5000 0.3745 0.4015 ( 1732 PWs) bands (ev): -29.3602 -29.3602 -10.5589 -10.5514 -9.2220 -9.2078 -9.0986 -9.0946 -1.4216 -1.4178 4.8566 4.8570 6.0373 6.0403 7.7075 7.7076 7.9415 7.9465 9.7493 9.7648 10.3776 10.3979 11.3651 11.4098 11.8550 11.8550 12.4122 12.4918 13.2244 13.2741 14.9146 14.9220 16.9762 16.9889 18.1434 18.1464 k =-0.5000 0.3745 0.3897 ( 1732 PWs) bands (ev): -29.3609 -29.3609 -10.5570 -10.5491 -9.2180 -9.2027 -9.1002 -9.0959 -1.4173 -1.4132 4.8708 4.8713 6.0301 6.0338 7.7234 7.7270 7.9051 7.9137 9.7473 9.7639 10.3737 10.3955 11.3064 11.3490 11.8545 11.8545 12.4307 12.5032 13.2994 13.3449 14.9062 14.9141 16.9207 16.9331 18.0763 18.0804 k =-0.5000 0.3745 0.3779 ( 1724 PWs) bands (ev): -29.3617 -29.3617 -10.5550 -10.5466 -9.2138 -9.1974 -9.1018 -9.0969 -1.4128 -1.4084 4.8861 4.8866 6.0228 6.0271 7.7361 7.7474 7.8668 7.8826 9.7455 9.7632 10.3695 10.3927 11.2490 11.2895 11.8540 11.8540 12.4483 12.5141 13.3760 13.4173 14.8977 14.9060 16.8659 16.8780 18.0071 18.0122 k =-0.5000 0.3745 0.3661 ( 1724 PWs) bands (ev): -29.3625 -29.3625 -10.5530 -10.5442 -9.2096 -9.1922 -9.1031 -9.0979 -1.4080 -1.4034 4.9022 4.9028 6.0152 6.0204 7.7410 7.7683 7.8269 7.8584 9.7438 9.7625 10.3648 10.3893 11.1927 11.2314 11.8534 11.8534 12.4652 12.5247 13.4538 13.4910 14.8889 14.8977 16.8118 16.8236 17.9363 17.9426 k =-0.5000 0.3745 0.3543 ( 1724 PWs) bands (ev): -29.3633 -29.3633 -10.5509 -10.5417 -9.2053 -9.1870 -9.1041 -9.0985 -1.4030 -1.3983 4.9192 4.9198 6.0075 6.0135 7.7305 7.7854 7.7901 7.8485 9.7422 9.7620 10.3596 10.3854 11.1378 11.1748 11.8529 11.8529 12.4814 12.5351 13.5324 13.5657 14.8801 14.8893 16.7586 16.7699 17.8646 17.8720 k =-0.5000 0.3745 0.3425 ( 1720 PWs) bands (ev): -29.3642 -29.3642 -10.5487 -10.5391 -9.2011 -9.1821 -9.1045 -9.0987 -1.3979 -1.3929 4.9369 4.9376 5.9996 6.0065 7.7041 7.7437 7.8113 7.8539 9.7409 9.7616 10.3540 10.3810 11.0843 11.1197 11.8523 11.8523 12.4974 12.5456 13.6115 13.6411 14.8714 14.8809 16.7063 16.7173 17.7926 17.8010 k =-0.5000 0.3745 0.3307 ( 1720 PWs) bands (ev): -29.3651 -29.3651 -10.5465 -10.5367 -9.1971 -9.1777 -9.1042 -9.0983 -1.3926 -1.3875 4.9553 4.9560 5.9916 5.9994 7.6685 7.7011 7.8330 7.8677 9.7398 9.7614 10.3479 10.3760 11.0324 11.0663 11.8517 11.8518 12.5128 12.5559 13.6911 13.7172 14.8627 14.8725 16.6549 16.6656 17.7206 17.7301 k =-0.5000 0.3745 0.3189 ( 1720 PWs) bands (ev): -29.3661 -29.3661 -10.5442 -10.5342 -9.1935 -9.1740 -9.1030 -9.0974 -1.3871 -1.3819 4.9744 4.9751 5.9834 5.9921 7.6289 7.6582 7.8546 7.8850 9.7391 9.7615 10.3413 10.3704 10.9821 11.0145 11.8511 11.8512 12.5278 12.5662 13.7708 13.7935 14.8543 14.8643 16.6047 16.6150 17.6491 17.6598 k =-0.5000 0.3745 0.3070 ( 1718 PWs) bands (ev): -29.3670 -29.3670 -10.5420 -10.5318 -9.1905 -9.1713 -9.1006 -9.0956 -1.3816 -1.3763 4.9939 4.9946 5.9750 5.9848 7.5876 7.6152 7.8759 7.9038 9.7387 9.7619 10.3342 10.3643 10.9335 10.9645 11.8505 11.8507 12.5425 12.5766 13.8506 13.8701 14.8461 14.8563 16.5556 16.5655 17.5786 17.5905 k =-0.5000 0.3745 0.2952 ( 1718 PWs) bands (ev): -29.3680 -29.3680 -10.5398 -10.5294 -9.1880 -9.1696 -9.0970 -9.0929 -1.3760 -1.3706 5.0138 5.0146 5.9664 5.9772 7.5457 7.5726 7.8969 7.9230 9.7387 9.7627 10.3266 10.3575 10.8866 10.9162 11.8499 11.8501 12.5568 12.5869 13.9303 13.9468 14.8382 14.8486 16.5076 16.5172 17.5094 17.5226 k =-0.5000 0.3745 0.2834 ( 1722 PWs) bands (ev): -29.3690 -29.3690 -10.5376 -10.5272 -9.1863 -9.1690 -9.0922 -9.0894 -1.3704 -1.3649 5.0341 5.0349 5.9577 5.9694 7.5038 7.5307 7.9173 7.9423 9.7391 9.7638 10.3183 10.3500 10.8415 10.8698 11.8493 11.8496 12.5708 12.5971 14.0099 14.0235 14.8307 14.8412 16.4609 16.4701 17.4418 17.4563 k =-0.5000 0.3745 0.2716 ( 1718 PWs) bands (ev): -29.3700 -29.3700 -10.5354 -10.5250 -9.1852 -9.1692 -9.0863 -9.0849 -1.3648 -1.3593 5.0546 5.0555 5.9486 5.9614 7.4626 7.4896 7.9372 7.9611 9.7400 9.7653 10.3096 10.3420 10.7983 10.8253 11.8487 11.8490 12.5845 12.6074 14.0891 14.1000 14.8237 14.8343 16.4155 16.4243 17.3763 17.3920 k =-0.5000 0.3745 0.2598 ( 1718 PWs) bands (ev): -29.3710 -29.3710 -10.5333 -10.5229 -9.1848 -9.1702 -9.0796 -9.0795 -1.3592 -1.3537 5.0752 5.0761 5.9393 5.9530 7.4225 7.4498 7.9563 7.9794 9.7414 9.7673 10.3004 10.3333 10.7569 10.7827 11.8481 11.8485 12.5978 12.6175 14.1679 14.1762 14.8171 14.8277 16.3714 16.3798 17.3129 17.3300 k =-0.5000 0.3745 0.2480 ( 1720 PWs) bands (ev): -29.3720 -29.3720 -10.5313 -10.5210 -9.1850 -9.1718 -9.0734 -9.0722 -1.3537 -1.3482 5.0958 5.0968 5.9296 5.9441 7.3837 7.4114 7.9745 7.9969 9.7433 9.7697 10.2906 10.3240 10.7175 10.7419 11.8475 11.8479 12.6107 12.6275 14.2461 14.2520 14.8111 14.8217 16.3286 16.3367 17.2521 17.2706 k =-0.5000 0.3745 0.2362 ( 1720 PWs) bands (ev): -29.3730 -29.3730 -10.5293 -10.5191 -9.1857 -9.1738 -9.0666 -9.0643 -1.3482 -1.3428 5.1164 5.1175 5.9196 5.9349 7.3466 7.3746 7.9919 8.0136 9.7457 9.7727 10.2802 10.3141 10.6801 10.7032 11.8469 11.8473 12.6232 12.6373 14.3235 14.3273 14.8056 14.8162 16.2873 16.2950 17.1940 17.2140 k =-0.5000 0.3745 0.2244 ( 1720 PWs) bands (ev): -29.3740 -29.3740 -10.5274 -10.5174 -9.1868 -9.1761 -9.0594 -9.0561 -1.3429 -1.3375 5.1369 5.1380 5.9092 5.9252 7.3114 7.3398 8.0082 8.0293 9.7487 9.7761 10.2694 10.3035 10.6446 10.6664 11.8463 11.8468 12.6352 12.6470 14.4001 14.4018 14.8007 14.8113 16.2474 16.2547 17.1390 17.1605 k =-0.5000 0.3745 0.2126 ( 1722 PWs) bands (ev): -29.3750 -29.3750 -10.5256 -10.5158 -9.1883 -9.1785 -9.0517 -9.0478 -1.3376 -1.3324 5.1570 5.1581 5.8985 5.9149 7.2784 7.3070 8.0236 8.0439 9.7523 9.7801 10.2580 10.2924 10.6111 10.6316 11.8458 11.8463 12.6468 12.6564 14.4755 14.4756 14.7964 14.8070 16.2090 16.2160 17.0872 17.1103 k =-0.5000 0.3745 0.2008 ( 1724 PWs) bands (ev): -29.3759 -29.3759 -10.5238 -10.5143 -9.1899 -9.1812 -9.0438 -9.0393 -1.3326 -1.3274 5.1768 5.1780 5.8873 5.9042 7.2477 7.2764 8.0379 8.0575 9.7564 9.7845 10.2463 10.2807 10.5795 10.5988 11.8452 11.8458 12.6579 12.6656 14.5479 14.5498 14.7927 14.8033 16.1721 16.1788 17.0389 17.0636 k =-0.5000 0.3745 0.1890 ( 1716 PWs) bands (ev): -29.3768 -29.3768 -10.5221 -10.5130 -9.1918 -9.1838 -9.0358 -9.0308 -1.3276 -1.3226 5.1961 5.1973 5.8759 5.8929 7.2195 7.2481 8.0511 8.0700 9.7613 9.7897 10.2342 10.2686 10.5500 10.5680 11.8448 11.8454 12.6685 12.6745 14.6189 14.6226 14.7897 14.8005 16.1368 16.1432 16.9943 17.0207 k =-0.5000 0.3745 0.1771 ( 1716 PWs) bands (ev): -29.3777 -29.3777 -10.5206 -10.5118 -9.1937 -9.1865 -9.0277 -9.0225 -1.3229 -1.3181 5.2148 5.2161 5.8643 5.8813 7.1938 7.2221 8.0633 8.0813 9.7667 9.7953 10.2217 10.2560 10.5225 10.5392 11.8443 11.8449 12.6785 12.6830 14.6876 14.6934 14.7874 14.7989 16.1032 16.1092 16.9537 16.9817 k =-0.5000 0.3745 0.1653 ( 1706 PWs) bands (ev): -29.3786 -29.3786 -10.5191 -10.5107 -9.1956 -9.1892 -9.0197 -9.0143 -1.3184 -1.3137 5.2329 5.2342 5.8524 5.8693 7.1707 7.1984 8.0743 8.0916 9.7727 9.8014 10.2089 10.2431 10.4970 10.5125 11.8439 11.8445 12.6880 12.6912 14.7508 14.7606 14.7873 14.8017 16.0713 16.0769 16.9173 16.9470 k =-0.5000 0.3745 0.1535 ( 1702 PWs) bands (ev): -29.3794 -29.3794 -10.5177 -10.5097 -9.1976 -9.1918 -9.0118 -9.0064 -1.3141 -1.3097 5.2501 5.2515 5.8406 5.8570 7.1501 7.1770 8.0843 8.1007 9.7793 9.8081 10.1960 10.2298 10.4734 10.4876 11.8434 11.8441 12.6969 12.6989 14.7819 14.7829 14.8313 14.8339 16.0411 16.0464 16.8852 16.9167 k =-0.5000 0.3745 0.1417 ( 1702 PWs) bands (ev): -29.3801 -29.3801 -10.5164 -10.5089 -9.1995 -9.1943 -9.0042 -8.9988 -1.3100 -1.3059 5.2665 5.2679 5.8287 5.8446 7.1320 7.1579 8.0933 8.1086 9.7865 9.8151 10.1829 10.2162 10.4517 10.4647 11.8430 11.8436 12.7051 12.7062 14.7816 14.7864 14.8926 14.8946 16.0128 16.0178 16.8578 16.8909 k =-0.5000 0.3745 0.1299 ( 1706 PWs) bands (ev): -29.3809 -29.3809 -10.5151 -10.5082 -9.2014 -9.1967 -8.9969 -8.9917 -1.3062 -1.3023 5.2820 5.2833 5.8171 5.8323 7.1163 7.1410 8.1012 8.1156 9.7940 9.8224 10.1696 10.2024 10.4320 10.4437 11.8425 11.8431 12.7126 12.7130 14.7812 14.7866 14.9521 14.9553 15.9864 15.9910 16.8352 16.8698 k =-0.5000 0.3745 0.1181 ( 1710 PWs) bands (ev): -29.3815 -29.3815 -10.5140 -10.5076 -9.2031 -9.1990 -8.9899 -8.9849 -1.3027 -1.2991 5.2964 5.2978 5.8058 5.8201 7.1029 7.1261 8.1083 8.1215 9.8020 9.8300 10.1565 10.1885 10.4140 10.4246 11.8421 11.8427 12.7193 12.7196 14.7810 14.7864 15.0090 15.0127 15.9620 15.9662 16.8175 16.8534 k =-0.5000 0.3745 0.1063 ( 1710 PWs) bands (ev): -29.3822 -29.3822 -10.5130 -10.5071 -9.2048 -9.2011 -8.9834 -8.9787 -1.2995 -1.2962 5.3098 5.3111 5.7951 5.8083 7.0916 7.1131 8.1144 8.1266 9.8104 9.8378 10.1437 10.1746 10.3980 10.4074 11.8418 11.8424 12.7252 12.7258 14.7812 14.7863 15.0624 15.0661 15.9396 15.9435 16.8050 16.8418 k =-0.5000 0.3745 0.0945 ( 1714 PWs) bands (ev): -29.3827 -29.3827 -10.5120 -10.5067 -9.2063 -9.2031 -8.9774 -8.9731 -1.2966 -1.2936 5.3219 5.3231 5.7850 5.7970 7.0822 7.1019 8.1198 8.1307 9.8192 9.8457 10.1313 10.1610 10.3836 10.3919 11.8415 11.8420 12.7305 12.7314 14.7816 14.7863 15.1117 15.1151 15.9193 15.9229 16.7974 16.8347 k =-0.5000 0.3745 0.0827 ( 1714 PWs) bands (ev): -29.3832 -29.3832 -10.5111 -10.5065 -9.2076 -9.2048 -8.9719 -8.9680 -1.2939 -1.2913 5.3328 5.3340 5.7758 5.7865 7.0746 7.0923 8.1244 8.1341 9.8281 9.8534 10.1196 10.1476 10.3711 10.3783 11.8413 11.8417 12.7352 12.7364 14.7822 14.7864 15.1563 15.1594 15.9013 15.9045 16.7948 16.8319 k =-0.5000 0.3745 0.0709 ( 1722 PWs) bands (ev): -29.3837 -29.3837 -10.5103 -10.5063 -9.2088 -9.2064 -8.9670 -8.9636 -1.2916 -1.2893 5.3424 5.3434 5.7676 5.7769 7.0687 7.0841 8.1284 8.1368 9.8370 9.8606 10.1086 10.1345 10.3604 10.3665 11.8410 11.8414 12.7394 12.7406 14.7828 14.7865 15.1958 15.1985 15.8855 15.8883 16.7967 16.8327 k =-0.5000 0.3745 0.0590 ( 1722 PWs) bands (ev): -29.3840 -29.3840 -10.5096 -10.5062 -9.2097 -9.2078 -8.9627 -8.9598 -1.2895 -1.2876 5.3506 5.3515 5.7605 5.7683 7.0642 7.0772 8.1317 8.1388 9.8458 9.8672 10.0990 10.1223 10.3515 10.3565 11.8408 11.8412 12.7430 12.7442 14.7836 14.7867 15.2299 15.2321 15.8721 15.8744 16.8025 16.8363 k =-0.5000 0.3745 0.0472 ( 1720 PWs) bands (ev): -29.3843 -29.3843 -10.5089 -10.5062 -9.2105 -9.2090 -8.9591 -8.9567 -1.2878 -1.2863 5.3574 5.3582 5.7546 5.7610 7.0610 7.0716 8.1344 8.1402 9.8543 9.8728 10.0910 10.1110 10.3443 10.3483 11.8407 11.8410 12.7461 12.7471 14.7844 14.7869 15.2582 15.2599 15.8610 15.8629 16.8113 16.8415 k =-0.5000 0.3745 0.0354 ( 1720 PWs) bands (ev): -29.3846 -29.3846 -10.5083 -10.5063 -9.2111 -9.2099 -8.9562 -8.9544 -1.2865 -1.2853 5.3628 5.3634 5.7502 5.7549 7.0589 7.0670 8.1367 8.1410 9.8621 9.8770 10.0850 10.1010 10.3388 10.3417 11.8406 11.8408 12.7485 12.7493 14.7852 14.7871 15.2804 15.2816 15.8524 15.8539 16.8218 16.8467 k =-0.5000 0.3745 0.0236 ( 1720 PWs) bands (ev): -29.3848 -29.3848 -10.5078 -10.5064 -9.2114 -9.2107 -8.9540 -8.9528 -1.2854 -1.2846 5.3667 5.3671 5.7471 5.7503 7.0580 7.0633 8.1385 8.1414 9.8689 9.8794 10.0813 10.0925 10.3350 10.3369 11.8404 11.8405 12.7504 12.7509 14.7858 14.7871 15.2964 15.2972 15.8464 15.8474 16.8326 16.8505 k =-0.5000 0.3745 0.0118 ( 1722 PWs) bands (ev): -29.3849 -29.3849 -10.5073 -10.5066 -9.2116 -9.2112 -8.9526 -8.9520 -1.2847 -1.2843 5.3691 5.3693 5.7456 5.7472 7.0580 7.0607 8.1399 8.1413 9.8743 9.8797 10.0802 10.0860 10.3329 10.3338 11.8404 11.8404 12.7515 12.7518 14.7864 14.7870 15.3061 15.3065 15.8428 15.8433 16.8420 16.8514 k =-0.5000 0.3745 0.0000 ( 1722 PWs) bands (ev): -29.3849 -29.3849 -10.5070 -10.5070 -9.2115 -9.2115 -8.9519 -8.9519 -1.2844 -1.2844 5.3699 5.3699 5.7456 5.7456 7.0589 7.0589 8.1408 8.1408 9.8780 9.8780 10.0818 10.0818 10.3325 10.3325 11.8404 11.8404 12.7520 12.7520 14.7868 14.7868 15.3095 15.3095 15.8418 15.8418 16.8485 16.8485 k = 0.0000 0.0000 0.5314 ( 1702 PWs) bands (ev): -29.3819 -29.3819 -10.5369 -10.5369 -9.2379 -9.2379 -8.8750 -8.8750 -1.4884 -1.4884 4.9595 4.9595 6.5542 6.5542 7.2857 7.2857 7.9250 7.9250 10.1983 10.1983 10.4996 10.4996 10.9556 10.9556 12.0723 12.0723 12.6513 12.6513 13.1308 13.1308 13.9801 13.9801 15.2346 15.2346 17.0588 17.0588 k =-0.0094 0.0071 0.5314 ( 1708 PWs) bands (ev): -29.3818 -29.3818 -10.5369 -10.5369 -9.2379 -9.2379 -8.8752 -8.8752 -1.4885 -1.4885 4.9593 4.9593 6.5552 6.5552 7.2844 7.2844 7.9263 7.9263 10.1986 10.1986 10.4987 10.4987 10.9561 10.9561 12.0718 12.0718 12.6526 12.6526 13.1279 13.1279 13.9823 13.9823 15.2305 15.2305 17.0597 17.0597 k =-0.0189 0.0141 0.5314 ( 1704 PWs) bands (ev): -29.3818 -29.3818 -10.5369 -10.5369 -9.2379 -9.2379 -8.8758 -8.8758 -1.4886 -1.4886 4.9588 4.9588 6.5581 6.5581 7.2804 7.2804 7.9303 7.9303 10.1994 10.1994 10.4959 10.4959 10.9580 10.9580 12.0705 12.0705 12.6563 12.6563 13.1193 13.1193 13.9893 13.9893 15.2182 15.2182 17.0625 17.0625 k =-0.0283 0.0212 0.5314 ( 1706 PWs) bands (ev): -29.3817 -29.3817 -10.5370 -10.5370 -9.2380 -9.2380 -8.8769 -8.8769 -1.4889 -1.4889 4.9580 4.9580 6.5631 6.5631 7.2738 7.2738 7.9367 7.9367 10.2007 10.2007 10.4912 10.4912 10.9608 10.9608 12.0684 12.0684 12.6625 12.6625 13.1054 13.1054 14.0007 14.0007 15.1979 15.1979 17.0672 17.0672 k =-0.0377 0.0283 0.5314 ( 1706 PWs) bands (ev): -29.3815 -29.3815 -10.5370 -10.5370 -9.2381 -9.2381 -8.8783 -8.8783 -1.4894 -1.4894 4.9568 4.9568 6.5699 6.5699 7.2649 7.2649 7.9455 7.9455 10.2025 10.2025 10.4848 10.4848 10.9649 10.9649 12.0654 12.0654 12.6712 12.6712 13.0862 13.0862 14.0168 14.0168 15.1699 15.1699 17.0738 17.0738 k =-0.0472 0.0353 0.5314 ( 1710 PWs) bands (ev): -29.3813 -29.3813 -10.5371 -10.5371 -9.2382 -9.2382 -8.8801 -8.8801 -1.4899 -1.4899 4.9554 4.9554 6.5787 6.5787 7.2538 7.2538 7.9563 7.9563 10.2047 10.2047 10.4766 10.4766 10.9701 10.9701 12.0614 12.0614 12.6824 12.6824 13.0622 13.0622 14.0373 14.0373 15.1346 15.1346 17.0824 17.0824 k =-0.0566 0.0424 0.5314 ( 1710 PWs) bands (ev): -29.3811 -29.3811 -10.5371 -10.5371 -9.2383 -9.2383 -8.8823 -8.8823 -1.4905 -1.4905 4.9536 4.9536 6.5894 6.5894 7.2407 7.2407 7.9688 7.9688 10.2075 10.2075 10.4667 10.4667 10.9766 10.9766 12.0565 12.0565 12.6961 12.6961 13.0340 13.0340 14.0622 14.0622 15.0925 15.0925 17.0928 17.0928 k =-0.0660 0.0495 0.5314 ( 1710 PWs) bands (ev): -29.3808 -29.3808 -10.5372 -10.5372 -9.2385 -9.2385 -8.8849 -8.8849 -1.4912 -1.4912 4.9515 4.9515 6.6019 6.6019 7.2258 7.2258 7.9828 7.9828 10.2107 10.2107 10.4553 10.4553 10.9843 10.9843 12.0505 12.0505 12.7122 12.7122 13.0021 13.0021 14.0914 14.0914 15.0442 15.0442 17.1053 17.1053 k =-0.0755 0.0565 0.5314 ( 1710 PWs) bands (ev): -29.3804 -29.3804 -10.5373 -10.5373 -9.2387 -9.2387 -8.8878 -8.8878 -1.4920 -1.4920 4.9490 4.9490 6.6162 6.6162 7.2093 7.2093 7.9980 7.9980 10.2143 10.2143 10.4425 10.4425 10.9932 10.9932 12.0435 12.0435 12.7307 12.7307 12.9671 12.9671 14.1249 14.1249 14.9903 14.9903 17.1196 17.1196 k =-0.0849 0.0636 0.5314 ( 1714 PWs) bands (ev): -29.3801 -29.3801 -10.5374 -10.5374 -9.2388 -9.2388 -8.8911 -8.8911 -1.4928 -1.4928 4.9463 4.9463 6.6322 6.6322 7.1914 7.1914 8.0140 8.0140 10.2183 10.2183 10.4282 10.4282 11.0034 11.0034 12.0353 12.0353 12.7515 12.7515 12.9299 12.9299 14.1625 14.1625 14.9312 14.9312 17.1360 17.1360 k =-0.0943 0.0707 0.5314 ( 1714 PWs) bands (ev): -29.3797 -29.3797 -10.5376 -10.5376 -9.2390 -9.2390 -8.8948 -8.8948 -1.4937 -1.4937 4.9433 4.9433 6.6499 6.6499 7.1723 7.1723 8.0306 8.0306 10.2227 10.2227 10.4127 10.4127 11.0148 11.0148 12.0260 12.0260 12.7739 12.7739 12.8918 12.8918 14.2040 14.2040 14.8678 14.8678 17.1543 17.1543 k =-0.1038 0.0777 0.5314 ( 1714 PWs) bands (ev): -29.3792 -29.3792 -10.5378 -10.5378 -9.2392 -9.2392 -8.8987 -8.8987 -1.4945 -1.4945 4.9401 4.9401 6.6692 6.6692 7.1521 7.1521 8.0475 8.0475 10.2273 10.2273 10.3962 10.3962 11.0274 11.0274 12.0154 12.0154 12.7950 12.7950 12.8564 12.8564 14.2494 14.2494 14.8005 14.8005 17.1745 17.1745 k =-0.1132 0.0848 0.5314 ( 1718 PWs) bands (ev): -29.3787 -29.3787 -10.5380 -10.5380 -9.2395 -9.2395 -8.9030 -8.9030 -1.4954 -1.4954 4.9366 4.9366 6.6899 6.6899 7.1308 7.1308 8.0645 8.0645 10.2322 10.2322 10.3786 10.3786 11.0414 11.0414 12.0035 12.0035 12.7927 12.7927 12.8464 12.8464 14.2984 14.2984 14.7299 14.7299 17.1966 17.1966 k =-0.1226 0.0919 0.5314 ( 1714 PWs) bands (ev): -29.3782 -29.3782 -10.5382 -10.5382 -9.2397 -9.2397 -8.9076 -8.9076 -1.4963 -1.4963 4.9328 4.9328 6.7121 6.7121 7.1087 7.1087 8.0813 8.0813 10.2374 10.2374 10.3602 10.3602 11.0566 11.0566 11.9905 11.9905 12.7591 12.7591 12.8703 12.8703 14.3510 14.3510 14.6567 14.6567 17.2206 17.2206 k =-0.1321 0.0989 0.5314 ( 1722 PWs) bands (ev): -29.3777 -29.3777 -10.5385 -10.5385 -9.2399 -9.2399 -8.9124 -8.9124 -1.4971 -1.4971 4.9288 4.9288 6.7356 6.7356 7.0857 7.0857 8.0977 8.0977 10.2425 10.2425 10.3411 10.3411 11.0732 11.0732 11.9760 11.9760 12.7205 12.7205 12.9024 12.9024 14.4068 14.4068 14.5815 14.5815 17.2464 17.2464 k =-0.1415 0.1060 0.5314 ( 1720 PWs) bands (ev): -29.3771 -29.3771 -10.5388 -10.5388 -9.2401 -9.2401 -8.9175 -8.9175 -1.4979 -1.4979 4.9246 4.9246 6.7603 6.7603 7.0619 7.0619 8.1136 8.1136 10.2477 10.2477 10.3217 10.3217 11.0910 11.0910 11.9603 11.9603 12.6821 12.6821 12.9381 12.9381 14.4633 14.4633 14.5072 14.5072 17.2740 17.2740 k =-0.1509 0.1131 0.5314 ( 1720 PWs) bands (ev): -29.3765 -29.3765 -10.5392 -10.5392 -9.2403 -9.2403 -8.9228 -8.9228 -1.4985 -1.4985 4.9202 4.9202 6.7860 6.7860 7.0375 7.0375 8.1288 8.1288 10.2522 10.2522 10.3025 10.3025 11.1102 11.1102 11.9435 11.9435 12.6449 12.6449 12.9767 12.9767 14.4236 14.4236 14.5309 14.5309 17.3032 17.3032 k =-0.1604 0.1201 0.5314 ( 1720 PWs) bands (ev): -29.3759 -29.3759 -10.5396 -10.5396 -9.2404 -9.2404 -8.9283 -8.9283 -1.4991 -1.4991 4.9157 4.9157 6.8126 6.8126 7.0124 7.0124 8.1430 8.1430 10.2542 10.2542 10.2856 10.2856 11.1306 11.1306 11.9257 11.9257 12.6095 12.6095 13.0179 13.0179 14.3451 14.3451 14.5956 14.5956 17.3342 17.3342 k =-0.1698 0.1272 0.5314 ( 1720 PWs) bands (ev): -29.3752 -29.3752 -10.5401 -10.5401 -9.2406 -9.2406 -8.9340 -8.9340 -1.4996 -1.4996 4.9110 4.9110 6.8398 6.8398 6.9869 6.9869 8.1563 8.1563 10.2470 10.2470 10.2775 10.2775 11.1525 11.1525 11.9072 11.9072 12.5762 12.5762 13.0615 13.0615 14.2655 14.2655 14.6637 14.6637 17.3667 17.3667 k =-0.1792 0.1343 0.5314 ( 1712 PWs) bands (ev): -29.3745 -29.3745 -10.5406 -10.5406 -9.2408 -9.2408 -8.9399 -8.9399 -1.4999 -1.4999 4.9061 4.9061 6.8668 6.8668 6.9616 6.9616 8.1684 8.1684 10.2300 10.2300 10.2793 10.2793 11.1757 11.1757 11.8882 11.8882 12.5452 12.5452 13.1076 13.1076 14.1858 14.1858 14.7347 14.7347 17.4007 17.4007 k =-0.1887 0.1413 0.5314 ( 1714 PWs) bands (ev): -29.3738 -29.3738 -10.5412 -10.5412 -9.2409 -9.2409 -8.9459 -8.9459 -1.5001 -1.5001 4.9011 4.9011 6.8901 6.8901 6.9401 6.9401 8.1793 8.1793 10.2097 10.2097 10.2840 10.2840 11.2001 11.2001 11.8690 11.8690 12.5164 12.5164 13.1560 13.1560 14.1063 14.1063 14.8081 14.8081 17.4361 17.4361 k =-0.1981 0.1484 0.5314 ( 1710 PWs) bands (ev): -29.3731 -29.3731 -10.5418 -10.5418 -9.2410 -9.2410 -8.9520 -8.9520 -1.5001 -1.5001 4.8960 4.8960 6.8901 6.8901 6.9416 6.9416 8.1889 8.1889 10.1885 10.1885 10.2896 10.2896 11.2259 11.2259 11.8501 11.8501 12.4900 12.4900 13.2067 13.2067 14.0272 14.0272 14.8841 14.8841 17.4729 17.4729 k =-0.2075 0.1555 0.5314 ( 1710 PWs) bands (ev): -29.3724 -29.3724 -10.5424 -10.5424 -9.2411 -9.2411 -8.9583 -8.9583 -1.4999 -1.4999 4.8908 4.8908 6.8667 6.8667 6.9663 6.9663 8.1972 8.1972 10.1671 10.1671 10.2955 10.2955 11.2529 11.2529 11.8316 11.8316 12.4657 12.4657 13.2596 13.2596 13.9490 13.9490 14.9623 14.9623 17.5109 17.5109 k =-0.2170 0.1625 0.5314 ( 1702 PWs) bands (ev): -29.3716 -29.3716 -10.5431 -10.5431 -9.2412 -9.2412 -8.9646 -8.9646 -1.4995 -1.4995 4.8855 4.8855 6.8385 6.8385 6.9954 6.9954 8.2041 8.2041 10.1456 10.1456 10.3015 10.3015 11.2812 11.2812 11.8141 11.8141 12.4435 12.4435 13.3146 13.3146 13.8719 13.8719 15.0426 15.0426 17.5500 17.5500 k =-0.2264 0.1696 0.5314 ( 1708 PWs) bands (ev): -29.3709 -29.3709 -10.5439 -10.5439 -9.2413 -9.2413 -8.9709 -8.9709 -1.4990 -1.4990 4.8801 4.8801 6.8086 6.8086 7.0257 7.0257 8.2097 8.2097 10.1242 10.1242 10.3075 10.3075 11.3106 11.3106 11.7976 11.7976 12.4230 12.4230 13.3717 13.3717 13.7960 13.7960 15.1250 15.1250 17.5903 17.5903 k =-0.2358 0.1767 0.5314 ( 1708 PWs) bands (ev): -29.3701 -29.3701 -10.5448 -10.5448 -9.2413 -9.2413 -8.9773 -8.9773 -1.4982 -1.4982 4.8747 4.8747 6.7777 6.7777 7.0565 7.0565 8.2140 8.2140 10.1029 10.1029 10.3134 10.3134 11.3410 11.3410 11.7827 11.7827 12.4043 12.4043 13.4306 13.4306 13.7217 13.7217 15.2092 15.2092 17.6315 17.6315 k =-0.2453 0.1837 0.5314 ( 1712 PWs) bands (ev): -29.3694 -29.3694 -10.5456 -10.5456 -9.2413 -9.2413 -8.9836 -8.9836 -1.4972 -1.4972 4.8693 4.8693 6.7459 6.7459 7.0874 7.0874 8.2170 8.2170 10.0819 10.0819 10.3193 10.3193 11.3724 11.3724 11.7695 11.7695 12.3870 12.3870 13.4914 13.4914 13.6491 13.6491 15.2951 15.2951 17.6735 17.6735 k =-0.2547 0.1908 0.5314 ( 1712 PWs) bands (ev): -29.3686 -29.3686 -10.5466 -10.5466 -9.2413 -9.2413 -8.9899 -8.9899 -1.4960 -1.4960 4.8639 4.8639 6.7136 6.7136 7.1182 7.1182 8.2189 8.2189 10.0613 10.0613 10.3250 10.3250 11.4048 11.4048 11.7582 11.7582 12.3711 12.3711 13.5538 13.5538 13.5786 13.5786 15.3827 15.3827 17.7163 17.7163 k =-0.2642 0.1979 0.5314 ( 1712 PWs) bands (ev): -29.3679 -29.3679 -10.5475 -10.5475 -9.2413 -9.2413 -8.9962 -8.9962 -1.4946 -1.4946 4.8586 4.8586 6.6806 6.6806 7.1489 7.1489 8.2197 8.2197 10.0411 10.0411 10.3306 10.3306 11.4379 11.4379 11.7490 11.7490 12.3564 12.3564 13.5098 13.5098 13.6182 13.6182 15.4717 15.4717 17.7597 17.7597 k =-0.2736 0.2049 0.5314 ( 1708 PWs) bands (ev): -29.3671 -29.3671 -10.5485 -10.5485 -9.2413 -9.2413 -9.0024 -9.0024 -1.4930 -1.4930 4.8533 4.8533 6.6473 6.6473 7.1792 7.1792 8.2194 8.2194 10.0214 10.0214 10.3361 10.3361 11.4717 11.4717 11.7420 11.7420 12.3426 12.3426 13.4435 13.4435 13.6837 13.6837 15.5621 15.5621 17.8036 17.8036 k =-0.2830 0.2120 0.5314 ( 1712 PWs) bands (ev): -29.3663 -29.3663 -10.5496 -10.5496 -9.2413 -9.2413 -9.0085 -9.0085 -1.4912 -1.4912 4.8480 4.8480 6.6135 6.6135 7.2090 7.2090 8.2183 8.2183 10.0020 10.0020 10.3413 10.3413 11.5058 11.5058 11.7372 11.7372 12.3298 12.3298 13.3797 13.3797 13.7506 13.7506 15.6537 15.6537 17.8479 17.8479 k =-0.2925 0.2191 0.5314 ( 1712 PWs) bands (ev): -29.3656 -29.3656 -10.5506 -10.5506 -9.2413 -9.2413 -9.0145 -9.0145 -1.4892 -1.4892 4.8428 4.8428 6.5795 6.5795 7.2383 7.2383 8.2164 8.2164 9.9834 9.9834 10.3464 10.3464 11.5401 11.5401 11.7346 11.7346 12.3177 12.3177 13.3185 13.3185 13.8186 13.8186 15.7463 15.7463 17.8924 17.8924 k =-0.3019 0.2261 0.5314 ( 1714 PWs) bands (ev): -29.3649 -29.3649 -10.5517 -10.5517 -9.2412 -9.2412 -9.0203 -9.0203 -1.4871 -1.4871 4.8377 4.8377 6.5454 6.5454 7.2669 7.2669 8.2139 8.2139 9.9653 9.9653 10.3513 10.3513 11.5743 11.5743 11.7343 11.7343 12.3062 12.3062 13.2600 13.2600 13.8876 13.8876 15.8400 15.8400 17.9370 17.9370 k =-0.3113 0.2332 0.5314 ( 1710 PWs) bands (ev): -29.3642 -29.3642 -10.5528 -10.5528 -9.2412 -9.2412 -9.0260 -9.0260 -1.4847 -1.4847 4.8328 4.8328 6.5114 6.5114 7.2947 7.2947 8.2108 8.2108 9.9479 9.9479 10.3560 10.3560 11.6079 11.6079 11.7365 11.7365 12.2955 12.2955 13.2045 13.2045 13.9572 13.9572 15.9343 15.9343 17.9816 17.9816 k =-0.3208 0.2403 0.5314 ( 1710 PWs) bands (ev): -29.3635 -29.3635 -10.5539 -10.5539 -9.2411 -9.2411 -9.0315 -9.0315 -1.4823 -1.4823 4.8279 4.8279 6.4775 6.4775 7.3217 7.3217 8.2073 8.2073 9.9311 9.9311 10.3604 10.3604 11.6403 11.6403 11.7412 11.7412 12.2851 12.2851 13.1520 13.1520 14.0275 14.0275 16.0293 16.0293 18.0260 18.0260 k =-0.3302 0.2473 0.5314 ( 1722 PWs) bands (ev): -29.3628 -29.3628 -10.5551 -10.5551 -9.2411 -9.2411 -9.0369 -9.0369 -1.4798 -1.4798 4.8232 4.8232 6.4439 6.4439 7.3476 7.3476 8.2035 8.2035 9.9150 9.9150 10.3645 10.3645 11.6705 11.6705 11.7492 11.7492 12.2752 12.2752 13.1027 13.1027 14.0979 14.0979 16.1247 16.1247 18.0699 18.0699 k =-0.3396 0.2544 0.5314 ( 1722 PWs) bands (ev): -29.3621 -29.3621 -10.5562 -10.5562 -9.2411 -9.2411 -9.0419 -9.0419 -1.4771 -1.4771 4.8187 4.8187 6.4109 6.4109 7.3726 7.3726 8.1995 8.1995 9.8996 9.8996 10.3685 10.3685 11.6970 11.6970 11.7616 11.7616 12.2657 12.2657 13.0568 13.0568 14.1684 14.1684 16.2204 16.2204 18.1133 18.1133 k =-0.3491 0.2615 0.5314 ( 1726 PWs) bands (ev): -29.3615 -29.3615 -10.5573 -10.5573 -9.2410 -9.2410 -9.0468 -9.0468 -1.4744 -1.4744 4.8143 4.8143 6.3785 6.3785 7.3965 7.3965 8.1953 8.1953 9.8848 9.8848 10.3724 10.3724 11.7182 11.7182 11.7795 11.7795 12.2566 12.2566 13.0144 13.0144 14.2386 14.2386 16.3162 16.3162 18.1559 18.1559 k =-0.3585 0.2685 0.5314 ( 1726 PWs) bands (ev): -29.3609 -29.3609 -10.5584 -10.5584 -9.2410 -9.2410 -9.0514 -9.0514 -1.4717 -1.4717 4.8101 4.8101 6.3469 6.3469 7.4192 7.4192 8.1911 8.1911 9.8709 9.8709 10.3760 10.3760 11.7344 11.7344 11.8020 11.8020 12.2479 12.2479 12.9756 12.9756 14.3082 14.3082 16.4119 16.4119 18.1976 18.1976 k =-0.3679 0.2756 0.5314 ( 1726 PWs) bands (ev): -29.3603 -29.3603 -10.5594 -10.5594 -9.2410 -9.2410 -9.0558 -9.0558 -1.4689 -1.4689 4.8061 4.8061 6.3164 6.3164 7.4407 7.4407 8.1869 8.1869 9.8579 9.8579 10.3793 10.3793 11.7477 11.7477 11.8266 11.8266 12.2394 12.2394 12.9404 12.9404 14.3768 14.3768 16.5072 16.5072 18.2381 18.2381 k =-0.3774 0.2827 0.5314 ( 1730 PWs) bands (ev): -29.3597 -29.3597 -10.5604 -10.5604 -9.2410 -9.2410 -9.0599 -9.0599 -1.4662 -1.4662 4.8024 4.8024 6.2871 6.2871 7.4609 7.4609 8.1828 8.1828 9.8457 9.8457 10.3825 10.3825 11.7596 11.7596 11.8513 11.8513 12.2314 12.2314 12.9090 12.9090 14.4441 14.4441 16.6018 16.6018 18.2771 18.2771 k =-0.3868 0.2897 0.5314 ( 1732 PWs) bands (ev): -29.3592 -29.3592 -10.5614 -10.5614 -9.2410 -9.2410 -9.0637 -9.0637 -1.4635 -1.4635 4.7988 4.7988 6.2591 6.2591 7.4797 7.4797 8.1789 8.1789 9.8343 9.8343 10.3854 10.3854 11.7709 11.7709 11.8749 11.8749 12.2236 12.2236 12.8813 12.8813 14.5096 14.5096 16.6956 16.6956 18.3142 18.3142 k =-0.3962 0.2968 0.5314 ( 1728 PWs) bands (ev): -29.3587 -29.3587 -10.5623 -10.5623 -9.2410 -9.2410 -9.0673 -9.0673 -1.4609 -1.4609 4.7956 4.7956 6.2327 6.2327 7.4972 7.4972 8.1752 8.1752 9.8238 9.8238 10.3880 10.3880 11.7819 11.7819 11.8968 11.8968 12.2163 12.2163 12.8574 12.8574 14.5729 14.5729 16.7880 16.7880 18.3476 18.3476 k =-0.4057 0.3039 0.5314 ( 1732 PWs) bands (ev): -29.3583 -29.3583 -10.5632 -10.5632 -9.2410 -9.2410 -9.0705 -9.0705 -1.4584 -1.4584 4.7925 4.7925 6.2080 6.2080 7.5133 7.5133 8.1717 8.1717 9.8141 9.8141 10.3905 10.3905 11.7924 11.7924 11.9164 11.9164 12.2093 12.2093 12.8371 12.8371 14.6334 14.6334 16.8786 16.8786 18.3334 18.3334 k =-0.4151 0.3109 0.5314 ( 1732 PWs) bands (ev): -29.3579 -29.3579 -10.5640 -10.5640 -9.2411 -9.2411 -9.0735 -9.0735 -1.4560 -1.4560 4.7898 4.7898 6.1852 6.1852 7.5279 7.5279 8.1684 8.1684 9.8053 9.8053 10.3927 10.3927 11.8028 11.8028 11.9336 11.9336 12.2027 12.2027 12.8202 12.8202 14.6907 14.6907 16.9670 16.9670 18.2834 18.2834 k =-0.4245 0.3180 0.5314 ( 1732 PWs) bands (ev): -29.3575 -29.3575 -10.5648 -10.5648 -9.2411 -9.2411 -9.0761 -9.0761 -1.4538 -1.4538 4.7873 4.7873 6.1643 6.1643 7.5411 7.5411 8.1655 8.1655 9.7974 9.7974 10.3946 10.3946 11.8126 11.8126 11.9484 11.9484 12.1966 12.1966 12.8066 12.8066 14.7442 14.7442 17.0524 17.0524 18.2352 18.2352 k =-0.4340 0.3251 0.5314 ( 1732 PWs) bands (ev): -29.3572 -29.3572 -10.5655 -10.5655 -9.2412 -9.2412 -9.0784 -9.0784 -1.4518 -1.4518 4.7850 4.7850 6.1456 6.1456 7.5528 7.5528 8.1629 8.1629 9.7905 9.7905 10.3964 10.3964 11.8219 11.8219 11.9607 11.9607 12.1910 12.1910 12.7959 12.7959 14.7933 14.7933 17.1340 17.1340 18.1905 18.1905 k =-0.4434 0.3321 0.5314 ( 1728 PWs) bands (ev): -29.3569 -29.3569 -10.5660 -10.5660 -9.2412 -9.2412 -9.0805 -9.0805 -1.4499 -1.4499 4.7831 4.7831 6.1291 6.1291 7.5629 7.5629 8.1606 8.1606 9.7844 9.7844 10.3979 10.3979 11.8304 11.8304 11.9708 11.9708 12.1860 12.1860 12.7878 12.7878 14.8374 14.8374 17.2107 17.2107 18.1502 18.1502 k =-0.4528 0.3392 0.5314 ( 1728 PWs) bands (ev): -29.3567 -29.3567 -10.5666 -10.5666 -9.2412 -9.2412 -9.0822 -9.0822 -1.4484 -1.4484 4.7814 4.7814 6.1149 6.1149 7.5715 7.5715 8.1586 8.1586 9.7793 9.7793 10.3992 10.3992 11.8380 11.8380 11.9788 11.9788 12.1816 12.1816 12.7817 12.7817 14.8760 14.8760 17.2811 17.2811 18.1149 18.1149 k =-0.4623 0.3463 0.5314 ( 1728 PWs) bands (ev): -29.3565 -29.3565 -10.5670 -10.5670 -9.2413 -9.2413 -9.0836 -9.0836 -1.4471 -1.4471 4.7801 4.7801 6.1032 6.1032 7.5786 7.5786 8.1570 8.1570 9.7750 9.7750 10.4002 10.4002 11.8444 11.8444 11.9848 11.9848 12.1779 12.1779 12.7775 12.7775 14.9085 14.9085 17.3436 17.3436 18.0850 18.0850 k =-0.4717 0.3533 0.5314 ( 1728 PWs) bands (ev): -29.3563 -29.3563 -10.5673 -10.5673 -9.2413 -9.2413 -9.0847 -9.0847 -1.4460 -1.4460 4.7790 4.7790 6.0941 6.0941 7.5841 7.5841 8.1557 8.1557 9.7718 9.7718 10.4010 10.4010 11.8496 11.8496 11.9892 11.9892 12.1749 12.1749 12.7746 12.7746 14.9343 14.9343 17.3959 17.3959 18.0612 18.0612 k =-0.4811 0.3604 0.5314 ( 1728 PWs) bands (ev): -29.3562 -29.3562 -10.5676 -10.5676 -9.2413 -9.2413 -9.0855 -9.0855 -1.4453 -1.4453 4.7783 4.7783 6.0875 6.0875 7.5880 7.5880 8.1548 8.1548 9.7694 9.7694 10.4016 10.4016 11.8534 11.8534 11.9922 11.9922 12.1727 12.1727 12.7728 12.7728 14.9531 14.9531 17.4359 17.4359 18.0439 18.0439 k =-0.4906 0.3675 0.5314 ( 1724 PWs) bands (ev): -29.3561 -29.3561 -10.5677 -10.5677 -9.2414 -9.2414 -9.0859 -9.0859 -1.4448 -1.4448 4.7778 4.7778 6.0835 6.0835 7.5904 7.5904 8.1543 8.1543 9.7680 9.7680 10.4019 10.4019 11.8559 11.8559 11.9939 11.9939 12.1715 12.1715 12.7718 12.7718 14.9645 14.9645 17.4610 17.4610 18.0333 18.0333 k =-0.5000 0.3745 0.5314 ( 1720 PWs) bands (ev): -29.3561 -29.3561 -10.5677 -10.5677 -9.2414 -9.2414 -9.0861 -9.0861 -1.4447 -1.4447 4.7777 4.7777 6.0822 6.0822 7.5912 7.5912 8.1541 8.1541 9.7676 9.7676 10.4021 10.4021 11.8567 11.8567 11.9945 11.9945 12.1710 12.1710 12.7716 12.7716 14.9683 14.9683 17.4696 17.4696 18.0298 18.0298 Writing output data file YCoC2.save init_run : 3.44s CPU 13.56s WALL ( 1 calls) electrons : 304.09s CPU 310.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 304.07s CPU 309.87s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.84s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.44s WALL ( 1 calls) newd : 0.22s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.13s WALL ( 506 calls) cegterg : 249.27s CPU 251.69s WALL ( 536 calls) Called by sum_band: Called by *egterg: h_psi : 113.77s CPU 119.79s WALL ( 10365 calls) s_psi : 13.05s CPU 13.66s WALL ( 10365 calls) g_psi : 0.15s CPU 0.23s WALL ( 9323 calls) cdiaghg : 98.02s CPU 96.69s WALL ( 9829 calls) cegterg:over : 23.46s CPU 20.35s WALL ( 9323 calls) cegterg:upda : 1.53s CPU 3.45s WALL ( 9323 calls) cegterg:last : 2.03s CPU 2.82s WALL ( 2079 calls) Called by h_psi: h_psi:vloc : 88.46s CPU 93.68s WALL ( 10365 calls) h_psi:vnl : 25.25s CPU 25.76s WALL ( 10365 calls) add_vuspsi : 6.05s CPU 9.63s WALL ( 10365 calls) General routines calbec : 19.17s CPU 16.02s WALL ( 10365 calls) fft : 0.19s CPU 1.20s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 83.93s CPU 88.91s WALL ( 1023932 calls) interpolate : 0.00s CPU 0.06s WALL ( 4 calls) davcio : 0.04s CPU 2.06s WALL ( 1012 calls) Parallel routines fft_scatter : 67.09s CPU 71.95s WALL ( 1023955 calls) PWSCF : 5m48.76s CPU 7m10.31s WALL This run was terminated on: 23:34: 3 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=