Program PWSCF v.5.1.1 starts on 8Oct2015 at 23:20: 1 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 14 4 676 281 46 Max 27 15 5 681 293 51 Sum 1269 719 223 32539 13731 2343 bravais-lattice index = 14 lattice parameter (alat) = 7.1192 a.u. unit-cell volume = 325.4102 (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)= 7.119206 celldm(2)= 1.000000 celldm(3)= 0.939978 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.281906 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.281906 0.959442 0.000000 ) a(3) = ( 0.000000 0.000000 0.939978 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.293822 -0.000000 ) b(2) = ( 0.000000 1.042272 -0.000000 ) b(3) = ( 0.000000 0.000000 1.063855 ) 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) = ( 0.0070917 0.0094752 -0.0000000), wk = 0.0019763 k( 3) = ( 0.0141834 0.0189504 -0.0000000), wk = 0.0019763 k( 4) = ( 0.0212751 0.0284256 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0283669 0.0379008 -0.0000000), wk = 0.0019763 k( 6) = ( 0.0354586 0.0473760 -0.0000000), wk = 0.0019763 k( 7) = ( 0.0425503 0.0568512 -0.0000000), wk = 0.0019763 k( 8) = ( 0.0496420 0.0663264 -0.0000000), wk = 0.0019763 k( 9) = ( 0.0567337 0.0758016 -0.0000000), wk = 0.0019763 k( 10) = ( 0.0638254 0.0852768 -0.0000000), wk = 0.0019763 k( 11) = ( 0.0709171 0.0947520 -0.0000000), wk = 0.0019763 k( 12) = ( 0.0780089 0.1042272 -0.0000000), wk = 0.0019763 k( 13) = ( 0.0851006 0.1137024 -0.0000000), wk = 0.0019763 k( 14) = ( 0.0921923 0.1231776 -0.0000000), wk = 0.0019763 k( 15) = ( 0.0992840 0.1326528 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1063757 0.1421280 -0.0000000), wk = 0.0019763 k( 17) = ( 0.1134674 0.1516032 -0.0000000), wk = 0.0019763 k( 18) = ( 0.1205592 0.1610784 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1276509 0.1705537 -0.0000000), wk = 0.0019763 k( 20) = ( 0.1347426 0.1800288 -0.0000000), wk = 0.0019763 k( 21) = ( 0.1418343 0.1895041 -0.0000000), wk = 0.0019763 k( 22) = ( 0.1489260 0.1989793 -0.0000000), wk = 0.0019763 k( 23) = ( 0.1560177 0.2084545 -0.0000000), wk = 0.0019763 k( 24) = ( 0.1631094 0.2179297 -0.0000000), wk = 0.0019763 k( 25) = ( 0.1702012 0.2274049 -0.0000000), wk = 0.0019763 k( 26) = ( 0.1772929 0.2368801 -0.0000000), wk = 0.0019763 k( 27) = ( 0.1843846 0.2463553 -0.0000000), wk = 0.0019763 k( 28) = ( 0.1914763 0.2558305 -0.0000000), wk = 0.0019763 k( 29) = ( 0.1985680 0.2653057 -0.0000000), wk = 0.0019763 k( 30) = ( 0.2056598 0.2747809 -0.0000000), wk = 0.0019763 k( 31) = ( 0.2127515 0.2842561 -0.0000000), wk = 0.0019763 k( 32) = ( 0.2198432 0.2937313 -0.0000000), wk = 0.0019763 k( 33) = ( 0.2269349 0.3032065 -0.0000000), wk = 0.0019763 k( 34) = ( 0.2340266 0.3126817 -0.0000000), wk = 0.0019763 k( 35) = ( 0.2411183 0.3221569 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2482100 0.3316321 -0.0000000), wk = 0.0019763 k( 37) = ( 0.2553017 0.3411073 -0.0000000), wk = 0.0019763 k( 38) = ( 0.2623935 0.3505825 -0.0000000), wk = 0.0019763 k( 39) = ( 0.2694852 0.3600577 -0.0000000), wk = 0.0019763 k( 40) = ( 0.2765769 0.3695329 -0.0000000), wk = 0.0019763 k( 41) = ( 0.2836686 0.3790081 -0.0000000), wk = 0.0019763 k( 42) = ( 0.2907603 0.3884833 -0.0000000), wk = 0.0019763 k( 43) = ( 0.2978520 0.3979585 -0.0000000), wk = 0.0019763 k( 44) = ( 0.3049438 0.4074337 -0.0000000), wk = 0.0019763 k( 45) = ( 0.3120355 0.4169089 -0.0000000), wk = 0.0019763 k( 46) = ( 0.3191272 0.4263841 -0.0000000), wk = 0.0019763 k( 47) = ( 0.3262189 0.4358593 -0.0000000), wk = 0.0019763 k( 48) = ( 0.3333106 0.4453345 -0.0000000), wk = 0.0019763 k( 49) = ( 0.3404023 0.4548097 -0.0000000), wk = 0.0019763 k( 50) = ( 0.3474940 0.4642849 -0.0000000), wk = 0.0019763 k( 51) = ( 0.3545858 0.4737601 -0.0000000), wk = 0.0019763 k( 52) = ( 0.3616775 0.4832353 -0.0000000), wk = 0.0019763 k( 53) = ( 0.3687692 0.4927105 -0.0000000), wk = 0.0019763 k( 54) = ( 0.3758609 0.5021857 -0.0000000), wk = 0.0019763 k( 55) = ( 0.3829526 0.5116609 -0.0000000), wk = 0.0019763 k( 56) = ( 0.3900443 0.5211362 -0.0000000), wk = 0.0019763 k( 57) = ( 0.3900443 0.5211362 -0.0000000), wk = 0.0019763 k( 58) = ( 0.3782248 0.5211361 -0.0000000), wk = 0.0019763 k( 59) = ( 0.3664053 0.5211361 -0.0000000), wk = 0.0019763 k( 60) = ( 0.3545858 0.5211361 -0.0000000), wk = 0.0019763 k( 61) = ( 0.3427662 0.5211361 -0.0000000), wk = 0.0019763 k( 62) = ( 0.3309467 0.5211361 -0.0000000), wk = 0.0019763 k( 63) = ( 0.3191272 0.5211361 -0.0000000), wk = 0.0019763 k( 64) = ( 0.3073077 0.5211362 -0.0000000), wk = 0.0019763 k( 65) = ( 0.2954881 0.5211362 -0.0000000), wk = 0.0019763 k( 66) = ( 0.2836686 0.5211361 -0.0000000), wk = 0.0019763 k( 67) = ( 0.2718491 0.5211362 -0.0000000), wk = 0.0019763 k( 68) = ( 0.2600296 0.5211362 -0.0000000), wk = 0.0019763 k( 69) = ( 0.2482100 0.5211362 -0.0000000), wk = 0.0019763 k( 70) = ( 0.2363905 0.5211362 -0.0000000), wk = 0.0019763 k( 71) = ( 0.2245710 0.5211362 -0.0000000), wk = 0.0019763 k( 72) = ( 0.2127515 0.5211362 -0.0000000), wk = 0.0019763 k( 73) = ( 0.2009319 0.5211362 -0.0000000), wk = 0.0019763 k( 74) = ( 0.1891124 0.5211362 -0.0000000), wk = 0.0019763 k( 75) = ( 0.1772929 0.5211362 -0.0000000), wk = 0.0019763 k( 76) = ( 0.1654734 0.5211362 -0.0000000), wk = 0.0019763 k( 77) = ( 0.1536538 0.5211362 -0.0000000), wk = 0.0019763 k( 78) = ( 0.1418343 0.5211362 -0.0000000), wk = 0.0019763 k( 79) = ( 0.1300148 0.5211362 -0.0000000), wk = 0.0019763 k( 80) = ( 0.1181953 0.5211361 -0.0000000), wk = 0.0019763 k( 81) = ( 0.1063757 0.5211361 -0.0000000), wk = 0.0019763 k( 82) = ( 0.0945562 0.5211361 -0.0000000), wk = 0.0019763 k( 83) = ( 0.0827367 0.5211361 -0.0000000), wk = 0.0019763 k( 84) = ( 0.0709171 0.5211361 -0.0000000), wk = 0.0019763 k( 85) = ( 0.0590976 0.5211362 -0.0000000), wk = 0.0019763 k( 86) = ( 0.0472781 0.5211361 -0.0000000), wk = 0.0019763 k( 87) = ( 0.0354586 0.5211362 -0.0000000), wk = 0.0019763 k( 88) = ( 0.0236391 0.5211362 -0.0000000), wk = 0.0019763 k( 89) = ( 0.0118195 0.5211362 -0.0000000), wk = 0.0019763 k( 90) = ( 0.0000000 0.5211362 -0.0000000), wk = 0.0019763 k( 91) = ( 0.0000000 0.5211362 -0.0000000), wk = 0.0019763 k( 92) = ( 0.0000000 0.5211362 0.0118206), wk = 0.0019763 k( 93) = ( 0.0000000 0.5211362 0.0236412), wk = 0.0019763 k( 94) = ( 0.0000000 0.5211362 0.0354618), wk = 0.0019763 k( 95) = ( 0.0000000 0.5211362 0.0472824), wk = 0.0019763 k( 96) = ( 0.0000000 0.5211362 0.0591030), wk = 0.0019763 k( 97) = ( 0.0000000 0.5211362 0.0709236), wk = 0.0019763 k( 98) = ( 0.0000000 0.5211362 0.0827442), wk = 0.0019763 k( 99) = ( 0.0000000 0.5211362 0.0945649), wk = 0.0019763 k( 100) = ( 0.0000000 0.5211362 0.1063855), wk = 0.0019763 k( 101) = ( 0.0000000 0.5211362 0.1182061), wk = 0.0019763 k( 102) = ( 0.0000000 0.5211362 0.1300267), wk = 0.0019763 k( 103) = ( 0.0000000 0.5211362 0.1418473), wk = 0.0019763 k( 104) = ( 0.0000000 0.5211362 0.1536679), wk = 0.0019763 k( 105) = ( 0.0000000 0.5211362 0.1654885), wk = 0.0019763 k( 106) = ( 0.0000000 0.5211362 0.1773091), wk = 0.0019763 k( 107) = ( 0.0000000 0.5211362 0.1891297), wk = 0.0019763 k( 108) = ( 0.0000000 0.5211362 0.2009503), wk = 0.0019763 k( 109) = ( 0.0000000 0.5211362 0.2127709), wk = 0.0019763 k( 110) = ( 0.0000000 0.5211362 0.2245915), wk = 0.0019763 k( 111) = ( 0.0000000 0.5211362 0.2364121), wk = 0.0019763 k( 112) = ( 0.0000000 0.5211362 0.2482327), wk = 0.0019763 k( 113) = ( 0.0000000 0.5211362 0.2600533), wk = 0.0019763 k( 114) = ( 0.0000000 0.5211362 0.2718740), wk = 0.0019763 k( 115) = ( 0.0000000 0.5211362 0.2836946), wk = 0.0019763 k( 116) = ( 0.0000000 0.5211362 0.2955152), wk = 0.0019763 k( 117) = ( 0.0000000 0.5211362 0.3073358), wk = 0.0019763 k( 118) = ( 0.0000000 0.5211362 0.3191564), wk = 0.0019763 k( 119) = ( 0.0000000 0.5211362 0.3309770), wk = 0.0019763 k( 120) = ( 0.0000000 0.5211362 0.3427976), wk = 0.0019763 k( 121) = ( 0.0000000 0.5211362 0.3546182), wk = 0.0019763 k( 122) = ( 0.0000000 0.5211362 0.3664388), wk = 0.0019763 k( 123) = ( 0.0000000 0.5211362 0.3782594), wk = 0.0019763 k( 124) = ( 0.0000000 0.5211362 0.3900800), wk = 0.0019763 k( 125) = ( 0.0000000 0.5211362 0.4019006), wk = 0.0019763 k( 126) = ( 0.0000000 0.5211362 0.4137212), wk = 0.0019763 k( 127) = ( 0.0000000 0.5211362 0.4255418), wk = 0.0019763 k( 128) = ( 0.0000000 0.5211362 0.4373624), wk = 0.0019763 k( 129) = ( 0.0000000 0.5211362 0.4491830), wk = 0.0019763 k( 130) = ( 0.0000000 0.5211362 0.4610036), wk = 0.0019763 k( 131) = ( 0.0000000 0.5211362 0.4728243), wk = 0.0019763 k( 132) = ( 0.0000000 0.5211362 0.4846449), wk = 0.0019763 k( 133) = ( 0.0000000 0.5211362 0.4964655), wk = 0.0019763 k( 134) = ( 0.0000000 0.5211362 0.5082861), wk = 0.0019763 k( 135) = ( 0.0000000 0.5211362 0.5201067), wk = 0.0019763 k( 136) = ( 0.0000000 0.5211362 0.5319273), wk = 0.0019763 k( 137) = ( 0.0000000 0.5211362 0.5319273), wk = 0.0019763 k( 138) = ( 0.0118195 0.5211362 0.5319273), wk = 0.0019763 k( 139) = ( 0.0236391 0.5211362 0.5319273), wk = 0.0019763 k( 140) = ( 0.0354586 0.5211362 0.5319273), wk = 0.0019763 k( 141) = ( 0.0472781 0.5211361 0.5319273), wk = 0.0019763 k( 142) = ( 0.0590976 0.5211362 0.5319273), wk = 0.0019763 k( 143) = ( 0.0709171 0.5211361 0.5319273), wk = 0.0019763 k( 144) = ( 0.0827367 0.5211361 0.5319273), wk = 0.0019763 k( 145) = ( 0.0945562 0.5211361 0.5319273), wk = 0.0019763 k( 146) = ( 0.1063757 0.5211361 0.5319273), wk = 0.0019763 k( 147) = ( 0.1181953 0.5211361 0.5319273), wk = 0.0019763 k( 148) = ( 0.1300148 0.5211362 0.5319273), wk = 0.0019763 k( 149) = ( 0.1418343 0.5211362 0.5319273), wk = 0.0019763 k( 150) = ( 0.1536538 0.5211362 0.5319273), wk = 0.0019763 k( 151) = ( 0.1654734 0.5211362 0.5319273), wk = 0.0019763 k( 152) = ( 0.1772929 0.5211362 0.5319273), wk = 0.0019763 k( 153) = ( 0.1891124 0.5211362 0.5319273), wk = 0.0019763 k( 154) = ( 0.2009319 0.5211362 0.5319273), wk = 0.0019763 k( 155) = ( 0.2127515 0.5211362 0.5319273), wk = 0.0019763 k( 156) = ( 0.2245710 0.5211362 0.5319273), wk = 0.0019763 k( 157) = ( 0.2363905 0.5211362 0.5319273), wk = 0.0019763 k( 158) = ( 0.2482100 0.5211362 0.5319273), wk = 0.0019763 k( 159) = ( 0.2600296 0.5211362 0.5319273), wk = 0.0019763 k( 160) = ( 0.2718491 0.5211362 0.5319273), wk = 0.0019763 k( 161) = ( 0.2836686 0.5211361 0.5319273), wk = 0.0019763 k( 162) = ( 0.2954881 0.5211362 0.5319273), wk = 0.0019763 k( 163) = ( 0.3073077 0.5211362 0.5319273), wk = 0.0019763 k( 164) = ( 0.3191272 0.5211361 0.5319273), wk = 0.0019763 k( 165) = ( 0.3309467 0.5211361 0.5319273), wk = 0.0019763 k( 166) = ( 0.3427662 0.5211361 0.5319273), wk = 0.0019763 k( 167) = ( 0.3545858 0.5211361 0.5319273), wk = 0.0019763 k( 168) = ( 0.3664053 0.5211361 0.5319273), wk = 0.0019763 k( 169) = ( 0.3782248 0.5211361 0.5319273), wk = 0.0019763 k( 170) = ( 0.3900443 0.5211362 0.5319273), wk = 0.0019763 k( 171) = ( 0.3900443 0.5211362 0.5319273), wk = 0.0019763 k( 172) = ( 0.3829526 0.5116609 0.5319273), wk = 0.0019763 k( 173) = ( 0.3758609 0.5021857 0.5319273), wk = 0.0019763 k( 174) = ( 0.3687692 0.4927105 0.5319273), wk = 0.0019763 k( 175) = ( 0.3616775 0.4832353 0.5319273), wk = 0.0019763 k( 176) = ( 0.3545858 0.4737601 0.5319273), wk = 0.0019763 k( 177) = ( 0.3474940 0.4642849 0.5319273), wk = 0.0019763 k( 178) = ( 0.3404023 0.4548097 0.5319273), wk = 0.0019763 k( 179) = ( 0.3333106 0.4453345 0.5319273), wk = 0.0019763 k( 180) = ( 0.3262189 0.4358593 0.5319273), wk = 0.0019763 k( 181) = ( 0.3191272 0.4263841 0.5319273), wk = 0.0019763 k( 182) = ( 0.3120355 0.4169089 0.5319273), wk = 0.0019763 k( 183) = ( 0.3049438 0.4074337 0.5319273), wk = 0.0019763 k( 184) = ( 0.2978520 0.3979585 0.5319273), wk = 0.0019763 k( 185) = ( 0.2907603 0.3884833 0.5319273), wk = 0.0019763 k( 186) = ( 0.2836686 0.3790081 0.5319273), wk = 0.0019763 k( 187) = ( 0.2765769 0.3695329 0.5319273), wk = 0.0019763 k( 188) = ( 0.2694852 0.3600577 0.5319273), wk = 0.0019763 k( 189) = ( 0.2623935 0.3505825 0.5319273), wk = 0.0019763 k( 190) = ( 0.2553017 0.3411073 0.5319273), wk = 0.0019763 k( 191) = ( 0.2482100 0.3316321 0.5319273), wk = 0.0019763 k( 192) = ( 0.2411183 0.3221569 0.5319273), wk = 0.0019763 k( 193) = ( 0.2340266 0.3126817 0.5319273), wk = 0.0019763 k( 194) = ( 0.2269349 0.3032065 0.5319273), wk = 0.0019763 k( 195) = ( 0.2198432 0.2937313 0.5319273), wk = 0.0019763 k( 196) = ( 0.2127515 0.2842561 0.5319273), wk = 0.0019763 k( 197) = ( 0.2056598 0.2747809 0.5319273), wk = 0.0019763 k( 198) = ( 0.1985680 0.2653057 0.5319273), wk = 0.0019763 k( 199) = ( 0.1914763 0.2558305 0.5319273), wk = 0.0019763 k( 200) = ( 0.1843846 0.2463553 0.5319273), wk = 0.0019763 k( 201) = ( 0.1772929 0.2368801 0.5319273), wk = 0.0019763 k( 202) = ( 0.1702012 0.2274049 0.5319273), wk = 0.0019763 k( 203) = ( 0.1631094 0.2179297 0.5319273), wk = 0.0019763 k( 204) = ( 0.1560177 0.2084545 0.5319273), wk = 0.0019763 k( 205) = ( 0.1489260 0.1989793 0.5319273), wk = 0.0019763 k( 206) = ( 0.1418343 0.1895041 0.5319273), wk = 0.0019763 k( 207) = ( 0.1347426 0.1800288 0.5319273), wk = 0.0019763 k( 208) = ( 0.1276509 0.1705537 0.5319273), wk = 0.0019763 k( 209) = ( 0.1205592 0.1610784 0.5319273), wk = 0.0019763 k( 210) = ( 0.1134674 0.1516032 0.5319273), wk = 0.0019763 k( 211) = ( 0.1063757 0.1421280 0.5319273), wk = 0.0019763 k( 212) = ( 0.0992840 0.1326528 0.5319273), wk = 0.0019763 k( 213) = ( 0.0921923 0.1231776 0.5319273), wk = 0.0019763 k( 214) = ( 0.0851006 0.1137024 0.5319273), wk = 0.0019763 k( 215) = ( 0.0780089 0.1042272 0.5319273), wk = 0.0019763 k( 216) = ( 0.0709171 0.0947520 0.5319273), wk = 0.0019763 k( 217) = ( 0.0638254 0.0852768 0.5319273), wk = 0.0019763 k( 218) = ( 0.0567337 0.0758016 0.5319273), wk = 0.0019763 k( 219) = ( 0.0496420 0.0663264 0.5319273), wk = 0.0019763 k( 220) = ( 0.0425503 0.0568512 0.5319273), wk = 0.0019763 k( 221) = ( 0.0354586 0.0473760 0.5319273), wk = 0.0019763 k( 222) = ( 0.0283669 0.0379008 0.5319273), wk = 0.0019763 k( 223) = ( 0.0212751 0.0284256 0.5319273), wk = 0.0019763 k( 224) = ( 0.0141834 0.0189504 0.5319273), wk = 0.0019763 k( 225) = ( 0.0070917 0.0094752 0.5319273), wk = 0.0019763 k( 226) = ( 0.0000000 0.0000000 0.5319273), wk = 0.0019763 k( 227) = ( 0.0000000 0.0000000 0.5319273), wk = 0.0019763 k( 228) = ( 0.0000000 0.0000000 0.5201067), wk = 0.0019763 k( 229) = ( 0.0000000 0.0000000 0.5082861), wk = 0.0019763 k( 230) = ( 0.0000000 0.0000000 0.4964655), wk = 0.0019763 k( 231) = ( 0.0000000 0.0000000 0.4846449), wk = 0.0019763 k( 232) = ( 0.0000000 0.0000000 0.4728243), wk = 0.0019763 k( 233) = ( 0.0000000 0.0000000 0.4610036), wk = 0.0019763 k( 234) = ( 0.0000000 0.0000000 0.4491830), wk = 0.0019763 k( 235) = ( 0.0000000 0.0000000 0.4373624), wk = 0.0019763 k( 236) = ( 0.0000000 0.0000000 0.4255418), wk = 0.0019763 k( 237) = ( 0.0000000 0.0000000 0.4137212), wk = 0.0019763 k( 238) = ( 0.0000000 0.0000000 0.4019006), wk = 0.0019763 k( 239) = ( 0.0000000 0.0000000 0.3900800), wk = 0.0019763 k( 240) = ( 0.0000000 0.0000000 0.3782594), wk = 0.0019763 k( 241) = ( 0.0000000 0.0000000 0.3664388), wk = 0.0019763 k( 242) = ( 0.0000000 0.0000000 0.3546182), wk = 0.0019763 k( 243) = ( 0.0000000 0.0000000 0.3427976), wk = 0.0019763 k( 244) = ( 0.0000000 0.0000000 0.3309770), wk = 0.0019763 k( 245) = ( 0.0000000 0.0000000 0.3191564), wk = 0.0019763 k( 246) = ( 0.0000000 0.0000000 0.3073358), wk = 0.0019763 k( 247) = ( 0.0000000 0.0000000 0.2955152), wk = 0.0019763 k( 248) = ( 0.0000000 0.0000000 0.2836946), wk = 0.0019763 k( 249) = ( 0.0000000 0.0000000 0.2718740), wk = 0.0019763 k( 250) = ( 0.0000000 0.0000000 0.2600533), wk = 0.0019763 k( 251) = ( 0.0000000 0.0000000 0.2482327), wk = 0.0019763 k( 252) = ( 0.0000000 0.0000000 0.2364121), wk = 0.0019763 k( 253) = ( 0.0000000 0.0000000 0.2245915), wk = 0.0019763 k( 254) = ( 0.0000000 0.0000000 0.2127709), wk = 0.0019763 k( 255) = ( 0.0000000 0.0000000 0.2009503), wk = 0.0019763 k( 256) = ( 0.0000000 0.0000000 0.1891297), wk = 0.0019763 k( 257) = ( 0.0000000 0.0000000 0.1773091), wk = 0.0019763 k( 258) = ( 0.0000000 0.0000000 0.1654885), wk = 0.0019763 k( 259) = ( 0.0000000 0.0000000 0.1536679), wk = 0.0019763 k( 260) = ( 0.0000000 0.0000000 0.1418473), wk = 0.0019763 k( 261) = ( 0.0000000 0.0000000 0.1300267), wk = 0.0019763 k( 262) = ( 0.0000000 0.0000000 0.1182061), wk = 0.0019763 k( 263) = ( 0.0000000 0.0000000 0.1063855), wk = 0.0019763 k( 264) = ( 0.0000000 0.0000000 0.0945649), wk = 0.0019763 k( 265) = ( 0.0000000 0.0000000 0.0827442), wk = 0.0019763 k( 266) = ( 0.0000000 0.0000000 0.0709236), wk = 0.0019763 k( 267) = ( 0.0000000 0.0000000 0.0591030), wk = 0.0019763 k( 268) = ( 0.0000000 0.0000000 0.0472824), wk = 0.0019763 k( 269) = ( 0.0000000 0.0000000 0.0354618), wk = 0.0019763 k( 270) = ( 0.0000000 0.0000000 0.0236412), wk = 0.0019763 k( 271) = ( 0.0000000 0.0000000 0.0118206), 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 0.0070608 0.0000000), wk = 0.0019763 k( 275) = ( -0.0188679 0.0141217 0.0000000), wk = 0.0019763 k( 276) = ( -0.0283019 0.0211825 0.0000000), wk = 0.0019763 k( 277) = ( -0.0377359 0.0282434 0.0000000), wk = 0.0019763 k( 278) = ( -0.0471698 0.0353042 0.0000000), wk = 0.0019763 k( 279) = ( -0.0566038 0.0423651 0.0000000), wk = 0.0019763 k( 280) = ( -0.0660377 0.0494259 0.0000000), wk = 0.0019763 k( 281) = ( -0.0754717 0.0564868 0.0000000), wk = 0.0019763 k( 282) = ( -0.0849057 0.0635476 0.0000000), wk = 0.0019763 k( 283) = ( -0.0943396 0.0706085 0.0000000), wk = 0.0019763 k( 284) = ( -0.1037736 0.0776693 0.0000000), wk = 0.0019763 k( 285) = ( -0.1132076 0.0847302 0.0000000), wk = 0.0019763 k( 286) = ( -0.1226415 0.0917910 0.0000000), wk = 0.0019763 k( 287) = ( -0.1320755 0.0988519 0.0000000), wk = 0.0019763 k( 288) = ( -0.1415094 0.1059127 0.0000000), wk = 0.0019763 k( 289) = ( -0.1509434 0.1129736 0.0000000), wk = 0.0019763 k( 290) = ( -0.1603774 0.1200344 0.0000000), wk = 0.0019763 k( 291) = ( -0.1698113 0.1270953 0.0000000), wk = 0.0019763 k( 292) = ( -0.1792453 0.1341561 0.0000000), wk = 0.0019763 k( 293) = ( -0.1886792 0.1412170 0.0000000), wk = 0.0019763 k( 294) = ( -0.1981132 0.1482778 0.0000000), wk = 0.0019763 k( 295) = ( -0.2075472 0.1553387 0.0000000), wk = 0.0019763 k( 296) = ( -0.2169811 0.1623995 0.0000000), wk = 0.0019763 k( 297) = ( -0.2264151 0.1694604 0.0000000), wk = 0.0019763 k( 298) = ( -0.2358491 0.1765212 0.0000000), wk = 0.0019763 k( 299) = ( -0.2452830 0.1835821 0.0000000), wk = 0.0019763 k( 300) = ( -0.2547170 0.1906429 0.0000000), wk = 0.0019763 k( 301) = ( -0.2641509 0.1977038 0.0000000), wk = 0.0019763 k( 302) = ( -0.2735849 0.2047646 0.0000000), wk = 0.0019763 k( 303) = ( -0.2830189 0.2118255 0.0000000), wk = 0.0019763 k( 304) = ( -0.2924528 0.2188863 0.0000000), wk = 0.0019763 k( 305) = ( -0.3018868 0.2259472 0.0000000), wk = 0.0019763 k( 306) = ( -0.3113207 0.2330080 0.0000000), wk = 0.0019763 k( 307) = ( -0.3207547 0.2400689 0.0000000), wk = 0.0019763 k( 308) = ( -0.3301887 0.2471297 0.0000000), wk = 0.0019763 k( 309) = ( -0.3396226 0.2541906 0.0000000), wk = 0.0019763 k( 310) = ( -0.3490566 0.2612514 0.0000000), wk = 0.0019763 k( 311) = ( -0.3584906 0.2683123 0.0000000), wk = 0.0019763 k( 312) = ( -0.3679245 0.2753731 0.0000000), wk = 0.0019763 k( 313) = ( -0.3773585 0.2824340 0.0000000), wk = 0.0019763 k( 314) = ( -0.3867925 0.2894948 0.0000000), wk = 0.0019763 k( 315) = ( -0.3962264 0.2965557 0.0000000), wk = 0.0019763 k( 316) = ( -0.4056604 0.3036165 0.0000000), wk = 0.0019763 k( 317) = ( -0.4150943 0.3106774 0.0000000), wk = 0.0019763 k( 318) = ( -0.4245283 0.3177382 0.0000000), wk = 0.0019763 k( 319) = ( -0.4339623 0.3247990 0.0000000), wk = 0.0019763 k( 320) = ( -0.4433962 0.3318599 0.0000000), wk = 0.0019763 k( 321) = ( -0.4528302 0.3389207 0.0000000), wk = 0.0019763 k( 322) = ( -0.4622641 0.3459816 0.0000000), wk = 0.0019763 k( 323) = ( -0.4716981 0.3530424 0.0000000), wk = 0.0019763 k( 324) = ( -0.4811321 0.3601033 0.0000000), wk = 0.0019763 k( 325) = ( -0.4905660 0.3671641 0.0000000), wk = 0.0019763 k( 326) = ( -0.5000000 0.3742250 0.0000000), wk = 0.0019763 k( 327) = ( -0.5000000 0.3742250 0.0000000), wk = 0.0019763 k( 328) = ( -0.4931278 0.3834069 -0.0000000), wk = 0.0019763 k( 329) = ( -0.4862555 0.3925889 -0.0000000), wk = 0.0019763 k( 330) = ( -0.4793833 0.4017708 -0.0000000), wk = 0.0019763 k( 331) = ( -0.4725111 0.4109528 -0.0000000), wk = 0.0019763 k( 332) = ( -0.4656389 0.4201347 -0.0000000), wk = 0.0019763 k( 333) = ( -0.4587666 0.4293167 -0.0000000), wk = 0.0019763 k( 334) = ( -0.4518944 0.4384986 -0.0000000), wk = 0.0019763 k( 335) = ( -0.4450222 0.4476806 -0.0000000), wk = 0.0019763 k( 336) = ( -0.4381499 0.4568625 -0.0000000), wk = 0.0019763 k( 337) = ( -0.4312777 0.4660445 -0.0000000), wk = 0.0019763 k( 338) = ( -0.4244055 0.4752264 -0.0000000), wk = 0.0019763 k( 339) = ( -0.4175333 0.4844084 -0.0000000), wk = 0.0019763 k( 340) = ( -0.4106610 0.4935903 -0.0000000), wk = 0.0019763 k( 341) = ( -0.4037888 0.5027723 -0.0000000), wk = 0.0019763 k( 342) = ( -0.3969166 0.5119542 -0.0000000), wk = 0.0019763 k( 343) = ( -0.3900443 0.5211361 -0.0000000), wk = 0.0019763 k( 344) = ( -0.3900443 0.5211361 -0.0000000), wk = 0.0019763 k( 345) = ( -0.3900443 0.5211361 0.0118206), wk = 0.0019763 k( 346) = ( -0.3900443 0.5211361 0.0236412), wk = 0.0019763 k( 347) = ( -0.3900443 0.5211361 0.0354618), wk = 0.0019763 k( 348) = ( -0.3900443 0.5211361 0.0472824), wk = 0.0019763 k( 349) = ( -0.3900443 0.5211361 0.0591030), wk = 0.0019763 k( 350) = ( -0.3900443 0.5211361 0.0709236), wk = 0.0019763 k( 351) = ( -0.3900443 0.5211361 0.0827442), wk = 0.0019763 k( 352) = ( -0.3900443 0.5211361 0.0945649), wk = 0.0019763 k( 353) = ( -0.3900443 0.5211361 0.1063855), wk = 0.0019763 k( 354) = ( -0.3900443 0.5211361 0.1182061), wk = 0.0019763 k( 355) = ( -0.3900443 0.5211361 0.1300267), wk = 0.0019763 k( 356) = ( -0.3900443 0.5211361 0.1418473), wk = 0.0019763 k( 357) = ( -0.3900443 0.5211361 0.1536679), wk = 0.0019763 k( 358) = ( -0.3900443 0.5211361 0.1654885), wk = 0.0019763 k( 359) = ( -0.3900443 0.5211361 0.1773091), wk = 0.0019763 k( 360) = ( -0.3900443 0.5211361 0.1891297), wk = 0.0019763 k( 361) = ( -0.3900443 0.5211361 0.2009503), wk = 0.0019763 k( 362) = ( -0.3900443 0.5211361 0.2127709), wk = 0.0019763 k( 363) = ( -0.3900443 0.5211361 0.2245915), wk = 0.0019763 k( 364) = ( -0.3900443 0.5211361 0.2364121), wk = 0.0019763 k( 365) = ( -0.3900443 0.5211361 0.2482327), wk = 0.0019763 k( 366) = ( -0.3900443 0.5211361 0.2600533), wk = 0.0019763 k( 367) = ( -0.3900443 0.5211361 0.2718740), wk = 0.0019763 k( 368) = ( -0.3900443 0.5211361 0.2836946), wk = 0.0019763 k( 369) = ( -0.3900443 0.5211361 0.2955152), wk = 0.0019763 k( 370) = ( -0.3900443 0.5211361 0.3073358), wk = 0.0019763 k( 371) = ( -0.3900443 0.5211361 0.3191564), wk = 0.0019763 k( 372) = ( -0.3900443 0.5211361 0.3309770), wk = 0.0019763 k( 373) = ( -0.3900443 0.5211361 0.3427976), wk = 0.0019763 k( 374) = ( -0.3900443 0.5211361 0.3546182), wk = 0.0019763 k( 375) = ( -0.3900443 0.5211361 0.3664388), wk = 0.0019763 k( 376) = ( -0.3900443 0.5211361 0.3782594), wk = 0.0019763 k( 377) = ( -0.3900443 0.5211361 0.3900800), wk = 0.0019763 k( 378) = ( -0.3900443 0.5211361 0.4019006), wk = 0.0019763 k( 379) = ( -0.3900443 0.5211361 0.4137212), wk = 0.0019763 k( 380) = ( -0.3900443 0.5211361 0.4255418), wk = 0.0019763 k( 381) = ( -0.3900443 0.5211361 0.4373624), wk = 0.0019763 k( 382) = ( -0.3900443 0.5211361 0.4491830), wk = 0.0019763 k( 383) = ( -0.3900443 0.5211361 0.4610036), wk = 0.0019763 k( 384) = ( -0.3900443 0.5211361 0.4728243), wk = 0.0019763 k( 385) = ( -0.3900443 0.5211361 0.4846449), wk = 0.0019763 k( 386) = ( -0.3900443 0.5211361 0.4964655), wk = 0.0019763 k( 387) = ( -0.3900443 0.5211361 0.5082861), wk = 0.0019763 k( 388) = ( -0.3900443 0.5211361 0.5201067), wk = 0.0019763 k( 389) = ( -0.3900443 0.5211361 0.5319273), wk = 0.0019763 k( 390) = ( -0.3900443 0.5211361 0.5319273), wk = 0.0019763 k( 391) = ( -0.3969166 0.5119542 0.5319273), wk = 0.0019763 k( 392) = ( -0.4037888 0.5027723 0.5319273), wk = 0.0019763 k( 393) = ( -0.4106610 0.4935903 0.5319273), wk = 0.0019763 k( 394) = ( -0.4175333 0.4844084 0.5319273), wk = 0.0019763 k( 395) = ( -0.4244055 0.4752264 0.5319273), wk = 0.0019763 k( 396) = ( -0.4312777 0.4660445 0.5319273), wk = 0.0019763 k( 397) = ( -0.4381499 0.4568625 0.5319273), wk = 0.0019763 k( 398) = ( -0.4450222 0.4476806 0.5319273), wk = 0.0019763 k( 399) = ( -0.4518944 0.4384986 0.5319273), wk = 0.0019763 k( 400) = ( -0.4587666 0.4293167 0.5319273), wk = 0.0019763 k( 401) = ( -0.4656389 0.4201347 0.5319273), wk = 0.0019763 k( 402) = ( -0.4725111 0.4109528 0.5319273), wk = 0.0019763 k( 403) = ( -0.4793833 0.4017708 0.5319273), wk = 0.0019763 k( 404) = ( -0.4862555 0.3925889 0.5319273), wk = 0.0019763 k( 405) = ( -0.4931278 0.3834069 0.5319273), wk = 0.0019763 k( 406) = ( -0.5000000 0.3742250 0.5319273), wk = 0.0019763 k( 407) = ( -0.5000000 0.3742250 0.5319273), wk = 0.0019763 k( 408) = ( -0.5000000 0.3742250 0.5201067), wk = 0.0019763 k( 409) = ( -0.5000000 0.3742250 0.5082861), wk = 0.0019763 k( 410) = ( -0.5000000 0.3742250 0.4964655), wk = 0.0019763 k( 411) = ( -0.5000000 0.3742250 0.4846449), wk = 0.0019763 k( 412) = ( -0.5000000 0.3742250 0.4728243), wk = 0.0019763 k( 413) = ( -0.5000000 0.3742250 0.4610036), wk = 0.0019763 k( 414) = ( -0.5000000 0.3742250 0.4491830), wk = 0.0019763 k( 415) = ( -0.5000000 0.3742250 0.4373624), wk = 0.0019763 k( 416) = ( -0.5000000 0.3742250 0.4255418), wk = 0.0019763 k( 417) = ( -0.5000000 0.3742250 0.4137212), wk = 0.0019763 k( 418) = ( -0.5000000 0.3742250 0.4019006), wk = 0.0019763 k( 419) = ( -0.5000000 0.3742250 0.3900800), wk = 0.0019763 k( 420) = ( -0.5000000 0.3742250 0.3782594), wk = 0.0019763 k( 421) = ( -0.5000000 0.3742250 0.3664388), wk = 0.0019763 k( 422) = ( -0.5000000 0.3742250 0.3546182), wk = 0.0019763 k( 423) = ( -0.5000000 0.3742250 0.3427976), wk = 0.0019763 k( 424) = ( -0.5000000 0.3742250 0.3309770), wk = 0.0019763 k( 425) = ( -0.5000000 0.3742250 0.3191564), wk = 0.0019763 k( 426) = ( -0.5000000 0.3742250 0.3073358), wk = 0.0019763 k( 427) = ( -0.5000000 0.3742250 0.2955152), wk = 0.0019763 k( 428) = ( -0.5000000 0.3742250 0.2836946), wk = 0.0019763 k( 429) = ( -0.5000000 0.3742250 0.2718740), wk = 0.0019763 k( 430) = ( -0.5000000 0.3742250 0.2600533), wk = 0.0019763 k( 431) = ( -0.5000000 0.3742250 0.2482327), wk = 0.0019763 k( 432) = ( -0.5000000 0.3742250 0.2364121), wk = 0.0019763 k( 433) = ( -0.5000000 0.3742250 0.2245915), wk = 0.0019763 k( 434) = ( -0.5000000 0.3742250 0.2127709), wk = 0.0019763 k( 435) = ( -0.5000000 0.3742250 0.2009503), wk = 0.0019763 k( 436) = ( -0.5000000 0.3742250 0.1891297), wk = 0.0019763 k( 437) = ( -0.5000000 0.3742250 0.1773091), wk = 0.0019763 k( 438) = ( -0.5000000 0.3742250 0.1654885), wk = 0.0019763 k( 439) = ( -0.5000000 0.3742250 0.1536679), wk = 0.0019763 k( 440) = ( -0.5000000 0.3742250 0.1418473), wk = 0.0019763 k( 441) = ( -0.5000000 0.3742250 0.1300267), wk = 0.0019763 k( 442) = ( -0.5000000 0.3742250 0.1182061), wk = 0.0019763 k( 443) = ( -0.5000000 0.3742250 0.1063855), wk = 0.0019763 k( 444) = ( -0.5000000 0.3742250 0.0945649), wk = 0.0019763 k( 445) = ( -0.5000000 0.3742250 0.0827442), wk = 0.0019763 k( 446) = ( -0.5000000 0.3742250 0.0709236), wk = 0.0019763 k( 447) = ( -0.5000000 0.3742250 0.0591030), wk = 0.0019763 k( 448) = ( -0.5000000 0.3742250 0.0472824), wk = 0.0019763 k( 449) = ( -0.5000000 0.3742250 0.0354618), wk = 0.0019763 k( 450) = ( -0.5000000 0.3742250 0.0236412), wk = 0.0019763 k( 451) = ( -0.5000000 0.3742250 0.0118206), wk = 0.0019763 k( 452) = ( -0.5000000 0.3742250 0.0000000), wk = 0.0019763 k( 453) = ( 0.0000000 0.0000000 0.5319273), wk = 0.0019763 k( 454) = ( -0.0094340 0.0070608 0.5319273), wk = 0.0019763 k( 455) = ( -0.0188679 0.0141217 0.5319273), wk = 0.0019763 k( 456) = ( -0.0283019 0.0211825 0.5319273), wk = 0.0019763 k( 457) = ( -0.0377359 0.0282434 0.5319273), wk = 0.0019763 k( 458) = ( -0.0471698 0.0353042 0.5319273), wk = 0.0019763 k( 459) = ( -0.0566038 0.0423651 0.5319273), wk = 0.0019763 k( 460) = ( -0.0660377 0.0494259 0.5319273), wk = 0.0019763 k( 461) = ( -0.0754717 0.0564868 0.5319273), wk = 0.0019763 k( 462) = ( -0.0849057 0.0635476 0.5319273), wk = 0.0019763 k( 463) = ( -0.0943396 0.0706085 0.5319273), wk = 0.0019763 k( 464) = ( -0.1037736 0.0776693 0.5319273), wk = 0.0019763 k( 465) = ( -0.1132076 0.0847302 0.5319273), wk = 0.0019763 k( 466) = ( -0.1226415 0.0917910 0.5319273), wk = 0.0019763 k( 467) = ( -0.1320755 0.0988519 0.5319273), wk = 0.0019763 k( 468) = ( -0.1415094 0.1059127 0.5319273), wk = 0.0019763 k( 469) = ( -0.1509434 0.1129736 0.5319273), wk = 0.0019763 k( 470) = ( -0.1603774 0.1200344 0.5319273), wk = 0.0019763 k( 471) = ( -0.1698113 0.1270953 0.5319273), wk = 0.0019763 k( 472) = ( -0.1792453 0.1341561 0.5319273), wk = 0.0019763 k( 473) = ( -0.1886792 0.1412170 0.5319273), wk = 0.0019763 k( 474) = ( -0.1981132 0.1482778 0.5319273), wk = 0.0019763 k( 475) = ( -0.2075472 0.1553387 0.5319273), wk = 0.0019763 k( 476) = ( -0.2169811 0.1623995 0.5319273), wk = 0.0019763 k( 477) = ( -0.2264151 0.1694604 0.5319273), wk = 0.0019763 k( 478) = ( -0.2358491 0.1765212 0.5319273), wk = 0.0019763 k( 479) = ( -0.2452830 0.1835821 0.5319273), wk = 0.0019763 k( 480) = ( -0.2547170 0.1906429 0.5319273), wk = 0.0019763 k( 481) = ( -0.2641509 0.1977038 0.5319273), wk = 0.0019763 k( 482) = ( -0.2735849 0.2047646 0.5319273), wk = 0.0019763 k( 483) = ( -0.2830189 0.2118255 0.5319273), wk = 0.0019763 k( 484) = ( -0.2924528 0.2188863 0.5319273), wk = 0.0019763 k( 485) = ( -0.3018868 0.2259472 0.5319273), wk = 0.0019763 k( 486) = ( -0.3113207 0.2330080 0.5319273), wk = 0.0019763 k( 487) = ( -0.3207547 0.2400689 0.5319273), wk = 0.0019763 k( 488) = ( -0.3301887 0.2471297 0.5319273), wk = 0.0019763 k( 489) = ( -0.3396226 0.2541906 0.5319273), wk = 0.0019763 k( 490) = ( -0.3490566 0.2612514 0.5319273), wk = 0.0019763 k( 491) = ( -0.3584906 0.2683123 0.5319273), wk = 0.0019763 k( 492) = ( -0.3679245 0.2753731 0.5319273), wk = 0.0019763 k( 493) = ( -0.3773585 0.2824340 0.5319273), wk = 0.0019763 k( 494) = ( -0.3867925 0.2894948 0.5319273), wk = 0.0019763 k( 495) = ( -0.3962264 0.2965557 0.5319273), wk = 0.0019763 k( 496) = ( -0.4056604 0.3036165 0.5319273), wk = 0.0019763 k( 497) = ( -0.4150943 0.3106774 0.5319273), wk = 0.0019763 k( 498) = ( -0.4245283 0.3177382 0.5319273), wk = 0.0019763 k( 499) = ( -0.4339623 0.3247990 0.5319273), wk = 0.0019763 k( 500) = ( -0.4433962 0.3318599 0.5319273), wk = 0.0019763 k( 501) = ( -0.4528302 0.3389207 0.5319273), wk = 0.0019763 k( 502) = ( -0.4622641 0.3459816 0.5319273), wk = 0.0019763 k( 503) = ( -0.4716981 0.3530424 0.5319273), wk = 0.0019763 k( 504) = ( -0.4811321 0.3601033 0.5319273), wk = 0.0019763 k( 505) = ( -0.4905660 0.3671641 0.5319273), wk = 0.0019763 k( 506) = ( -0.5000000 0.3742250 0.5319273), wk = 0.0019763 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019763 k( 2) = ( 0.0070917 0.0070917 0.0000000), wk = 0.0019763 k( 3) = ( 0.0141834 0.0141834 0.0000000), wk = 0.0019763 k( 4) = ( 0.0212751 0.0212751 -0.0000000), wk = 0.0019763 k( 5) = ( 0.0283669 0.0283669 0.0000000), wk = 0.0019763 k( 6) = ( 0.0354586 0.0354586 0.0000000), wk = 0.0019763 k( 7) = ( 0.0425503 0.0425503 0.0000000), wk = 0.0019763 k( 8) = ( 0.0496420 0.0496420 -0.0000000), wk = 0.0019763 k( 9) = ( 0.0567337 0.0567337 0.0000000), wk = 0.0019763 k( 10) = ( 0.0638254 0.0638254 0.0000000), wk = 0.0019763 k( 11) = ( 0.0709171 0.0709171 0.0000000), wk = 0.0019763 k( 12) = ( 0.0780089 0.0780089 0.0000000), wk = 0.0019763 k( 13) = ( 0.0851006 0.0851006 0.0000000), wk = 0.0019763 k( 14) = ( 0.0921923 0.0921923 0.0000000), wk = 0.0019763 k( 15) = ( 0.0992840 0.0992840 -0.0000000), wk = 0.0019763 k( 16) = ( 0.1063757 0.1063757 0.0000000), wk = 0.0019763 k( 17) = ( 0.1134674 0.1134674 0.0000000), wk = 0.0019763 k( 18) = ( 0.1205592 0.1205592 -0.0000000), wk = 0.0019763 k( 19) = ( 0.1276509 0.1276509 0.0000000), wk = 0.0019763 k( 20) = ( 0.1347426 0.1347426 0.0000000), wk = 0.0019763 k( 21) = ( 0.1418343 0.1418343 0.0000000), wk = 0.0019763 k( 22) = ( 0.1489260 0.1489260 -0.0000000), wk = 0.0019763 k( 23) = ( 0.1560177 0.1560177 0.0000000), wk = 0.0019763 k( 24) = ( 0.1631094 0.1631094 0.0000000), wk = 0.0019763 k( 25) = ( 0.1702012 0.1702012 0.0000000), wk = 0.0019763 k( 26) = ( 0.1772929 0.1772929 -0.0000000), wk = 0.0019763 k( 27) = ( 0.1843846 0.1843846 0.0000000), wk = 0.0019763 k( 28) = ( 0.1914763 0.1914763 0.0000000), wk = 0.0019763 k( 29) = ( 0.1985680 0.1985680 0.0000000), wk = 0.0019763 k( 30) = ( 0.2056598 0.2056598 0.0000000), wk = 0.0019763 k( 31) = ( 0.2127515 0.2127515 0.0000000), wk = 0.0019763 k( 32) = ( 0.2198432 0.2198432 -0.0000000), wk = 0.0019763 k( 33) = ( 0.2269349 0.2269349 0.0000000), wk = 0.0019763 k( 34) = ( 0.2340266 0.2340266 0.0000000), wk = 0.0019763 k( 35) = ( 0.2411183 0.2411183 -0.0000000), wk = 0.0019763 k( 36) = ( 0.2482100 0.2482100 0.0000000), wk = 0.0019763 k( 37) = ( 0.2553017 0.2553017 0.0000000), wk = 0.0019763 k( 38) = ( 0.2623935 0.2623935 0.0000000), wk = 0.0019763 k( 39) = ( 0.2694852 0.2694852 0.0000000), wk = 0.0019763 k( 40) = ( 0.2765769 0.2765769 0.0000000), wk = 0.0019763 k( 41) = ( 0.2836686 0.2836686 0.0000000), wk = 0.0019763 k( 42) = ( 0.2907603 0.2907603 0.0000000), wk = 0.0019763 k( 43) = ( 0.2978520 0.2978520 -0.0000000), wk = 0.0019763 k( 44) = ( 0.3049438 0.3049438 0.0000000), wk = 0.0019763 k( 45) = ( 0.3120355 0.3120355 0.0000000), wk = 0.0019763 k( 46) = ( 0.3191272 0.3191272 0.0000000), wk = 0.0019763 k( 47) = ( 0.3262189 0.3262189 0.0000000), wk = 0.0019763 k( 48) = ( 0.3333106 0.3333106 -0.0000000), wk = 0.0019763 k( 49) = ( 0.3404023 0.3404023 0.0000000), wk = 0.0019763 k( 50) = ( 0.3474940 0.3474940 0.0000000), wk = 0.0019763 k( 51) = ( 0.3545858 0.3545858 0.0000000), wk = 0.0019763 k( 52) = ( 0.3616775 0.3616775 -0.0000000), wk = 0.0019763 k( 53) = ( 0.3687692 0.3687692 0.0000000), wk = 0.0019763 k( 54) = ( 0.3758609 0.3758609 0.0000000), wk = 0.0019763 k( 55) = ( 0.3829526 0.3829526 0.0000000), wk = 0.0019763 k( 56) = ( 0.3900443 0.3900444 0.0000000), wk = 0.0019763 k( 57) = ( 0.3900443 0.3900444 0.0000000), wk = 0.0019763 k( 58) = ( 0.3782248 0.3933763 0.0000000), wk = 0.0019763 k( 59) = ( 0.3664053 0.3967083 0.0000000), wk = 0.0019763 k( 60) = ( 0.3545858 0.4000403 -0.0000000), wk = 0.0019763 k( 61) = ( 0.3427662 0.4033723 0.0000000), wk = 0.0019763 k( 62) = ( 0.3309467 0.4067043 0.0000000), wk = 0.0019763 k( 63) = ( 0.3191272 0.4100363 0.0000000), wk = 0.0019763 k( 64) = ( 0.3073077 0.4133683 0.0000000), wk = 0.0019763 k( 65) = ( 0.2954881 0.4167003 0.0000000), wk = 0.0019763 k( 66) = ( 0.2836686 0.4200323 0.0000000), wk = 0.0019763 k( 67) = ( 0.2718491 0.4233642 0.0000000), wk = 0.0019763 k( 68) = ( 0.2600296 0.4266962 0.0000000), wk = 0.0019763 k( 69) = ( 0.2482100 0.4300282 0.0000000), wk = 0.0019763 k( 70) = ( 0.2363905 0.4333602 0.0000000), wk = 0.0019763 k( 71) = ( 0.2245710 0.4366922 0.0000000), wk = 0.0019763 k( 72) = ( 0.2127515 0.4400242 -0.0000000), wk = 0.0019763 k( 73) = ( 0.2009319 0.4433562 0.0000000), wk = 0.0019763 k( 74) = ( 0.1891124 0.4466882 0.0000000), wk = 0.0019763 k( 75) = ( 0.1772929 0.4500202 0.0000000), wk = 0.0019763 k( 76) = ( 0.1654734 0.4533522 -0.0000000), wk = 0.0019763 k( 77) = ( 0.1536538 0.4566841 -0.0000000), wk = 0.0019763 k( 78) = ( 0.1418343 0.4600161 0.0000000), wk = 0.0019763 k( 79) = ( 0.1300148 0.4633481 -0.0000000), wk = 0.0019763 k( 80) = ( 0.1181953 0.4666801 0.0000000), wk = 0.0019763 k( 81) = ( 0.1063757 0.4700121 0.0000000), wk = 0.0019763 k( 82) = ( 0.0945562 0.4733441 0.0000000), wk = 0.0019763 k( 83) = ( 0.0827367 0.4766761 0.0000000), wk = 0.0019763 k( 84) = ( 0.0709171 0.4800081 0.0000000), wk = 0.0019763 k( 85) = ( 0.0590976 0.4833401 0.0000000), wk = 0.0019763 k( 86) = ( 0.0472781 0.4866720 0.0000000), wk = 0.0019763 k( 87) = ( 0.0354586 0.4900040 0.0000000), wk = 0.0019763 k( 88) = ( 0.0236391 0.4933360 0.0000000), wk = 0.0019763 k( 89) = ( 0.0118195 0.4966680 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) = ( 0.0118195 0.4966680 0.5000000), wk = 0.0019763 k( 139) = ( 0.0236391 0.4933360 0.5000000), wk = 0.0019763 k( 140) = ( 0.0354586 0.4900040 0.5000000), wk = 0.0019763 k( 141) = ( 0.0472781 0.4866720 0.5000000), wk = 0.0019763 k( 142) = ( 0.0590976 0.4833401 0.5000000), wk = 0.0019763 k( 143) = ( 0.0709171 0.4800081 0.5000000), wk = 0.0019763 k( 144) = ( 0.0827367 0.4766761 0.5000000), wk = 0.0019763 k( 145) = ( 0.0945562 0.4733441 0.5000000), wk = 0.0019763 k( 146) = ( 0.1063757 0.4700121 0.5000000), wk = 0.0019763 k( 147) = ( 0.1181953 0.4666801 0.5000000), wk = 0.0019763 k( 148) = ( 0.1300148 0.4633481 0.5000000), wk = 0.0019763 k( 149) = ( 0.1418343 0.4600161 0.5000000), wk = 0.0019763 k( 150) = ( 0.1536538 0.4566841 0.5000000), wk = 0.0019763 k( 151) = ( 0.1654734 0.4533522 0.5000000), wk = 0.0019763 k( 152) = ( 0.1772929 0.4500202 0.5000000), wk = 0.0019763 k( 153) = ( 0.1891124 0.4466882 0.5000000), wk = 0.0019763 k( 154) = ( 0.2009319 0.4433562 0.5000000), wk = 0.0019763 k( 155) = ( 0.2127515 0.4400242 0.5000000), wk = 0.0019763 k( 156) = ( 0.2245710 0.4366922 0.5000000), wk = 0.0019763 k( 157) = ( 0.2363905 0.4333602 0.5000000), wk = 0.0019763 k( 158) = ( 0.2482100 0.4300282 0.5000000), wk = 0.0019763 k( 159) = ( 0.2600296 0.4266962 0.5000000), wk = 0.0019763 k( 160) = ( 0.2718491 0.4233642 0.5000000), wk = 0.0019763 k( 161) = ( 0.2836686 0.4200323 0.5000000), wk = 0.0019763 k( 162) = ( 0.2954881 0.4167003 0.5000000), wk = 0.0019763 k( 163) = ( 0.3073077 0.4133683 0.5000000), wk = 0.0019763 k( 164) = ( 0.3191272 0.4100363 0.5000000), wk = 0.0019763 k( 165) = ( 0.3309467 0.4067043 0.5000000), wk = 0.0019763 k( 166) = ( 0.3427662 0.4033723 0.5000000), wk = 0.0019763 k( 167) = ( 0.3545858 0.4000403 0.5000000), wk = 0.0019763 k( 168) = ( 0.3664053 0.3967083 0.5000000), wk = 0.0019763 k( 169) = ( 0.3782248 0.3933763 0.5000000), wk = 0.0019763 k( 170) = ( 0.3900443 0.3900444 0.5000000), wk = 0.0019763 k( 171) = ( 0.3900443 0.3900444 0.5000000), wk = 0.0019763 k( 172) = ( 0.3829526 0.3829526 0.5000000), wk = 0.0019763 k( 173) = ( 0.3758609 0.3758609 0.5000000), wk = 0.0019763 k( 174) = ( 0.3687692 0.3687692 0.5000000), wk = 0.0019763 k( 175) = ( 0.3616775 0.3616775 0.5000000), wk = 0.0019763 k( 176) = ( 0.3545858 0.3545858 0.5000000), wk = 0.0019763 k( 177) = ( 0.3474940 0.3474940 0.5000000), wk = 0.0019763 k( 178) = ( 0.3404023 0.3404023 0.5000000), wk = 0.0019763 k( 179) = ( 0.3333106 0.3333106 0.5000000), wk = 0.0019763 k( 180) = ( 0.3262189 0.3262189 0.5000000), wk = 0.0019763 k( 181) = ( 0.3191272 0.3191272 0.5000000), wk = 0.0019763 k( 182) = ( 0.3120355 0.3120355 0.5000000), wk = 0.0019763 k( 183) = ( 0.3049438 0.3049438 0.5000000), wk = 0.0019763 k( 184) = ( 0.2978520 0.2978520 0.5000000), wk = 0.0019763 k( 185) = ( 0.2907603 0.2907603 0.5000000), wk = 0.0019763 k( 186) = ( 0.2836686 0.2836686 0.5000000), wk = 0.0019763 k( 187) = ( 0.2765769 0.2765769 0.5000000), wk = 0.0019763 k( 188) = ( 0.2694852 0.2694852 0.5000000), wk = 0.0019763 k( 189) = ( 0.2623935 0.2623935 0.5000000), wk = 0.0019763 k( 190) = ( 0.2553017 0.2553017 0.5000000), wk = 0.0019763 k( 191) = ( 0.2482100 0.2482100 0.5000000), wk = 0.0019763 k( 192) = ( 0.2411183 0.2411183 0.5000000), wk = 0.0019763 k( 193) = ( 0.2340266 0.2340266 0.5000000), wk = 0.0019763 k( 194) = ( 0.2269349 0.2269349 0.5000000), wk = 0.0019763 k( 195) = ( 0.2198432 0.2198432 0.5000000), wk = 0.0019763 k( 196) = ( 0.2127515 0.2127515 0.5000000), wk = 0.0019763 k( 197) = ( 0.2056598 0.2056598 0.5000000), wk = 0.0019763 k( 198) = ( 0.1985680 0.1985680 0.5000000), wk = 0.0019763 k( 199) = ( 0.1914763 0.1914763 0.5000000), wk = 0.0019763 k( 200) = ( 0.1843846 0.1843846 0.5000000), wk = 0.0019763 k( 201) = ( 0.1772929 0.1772929 0.5000000), wk = 0.0019763 k( 202) = ( 0.1702012 0.1702012 0.5000000), wk = 0.0019763 k( 203) = ( 0.1631094 0.1631094 0.5000000), wk = 0.0019763 k( 204) = ( 0.1560177 0.1560177 0.5000000), wk = 0.0019763 k( 205) = ( 0.1489260 0.1489260 0.5000000), wk = 0.0019763 k( 206) = ( 0.1418343 0.1418343 0.5000000), wk = 0.0019763 k( 207) = ( 0.1347426 0.1347426 0.5000000), wk = 0.0019763 k( 208) = ( 0.1276509 0.1276509 0.5000000), wk = 0.0019763 k( 209) = ( 0.1205592 0.1205592 0.5000000), wk = 0.0019763 k( 210) = ( 0.1134674 0.1134674 0.5000000), wk = 0.0019763 k( 211) = ( 0.1063757 0.1063757 0.5000000), wk = 0.0019763 k( 212) = ( 0.0992840 0.0992840 0.5000000), wk = 0.0019763 k( 213) = ( 0.0921923 0.0921923 0.5000000), wk = 0.0019763 k( 214) = ( 0.0851006 0.0851006 0.5000000), wk = 0.0019763 k( 215) = ( 0.0780089 0.0780089 0.5000000), wk = 0.0019763 k( 216) = ( 0.0709171 0.0709171 0.5000000), wk = 0.0019763 k( 217) = ( 0.0638254 0.0638254 0.5000000), wk = 0.0019763 k( 218) = ( 0.0567337 0.0567337 0.5000000), wk = 0.0019763 k( 219) = ( 0.0496420 0.0496420 0.5000000), wk = 0.0019763 k( 220) = ( 0.0425503 0.0425503 0.5000000), wk = 0.0019763 k( 221) = ( 0.0354586 0.0354586 0.5000000), wk = 0.0019763 k( 222) = ( 0.0283669 0.0283669 0.5000000), wk = 0.0019763 k( 223) = ( 0.0212751 0.0212751 0.5000000), wk = 0.0019763 k( 224) = ( 0.0141834 0.0141834 0.5000000), wk = 0.0019763 k( 225) = ( 0.0070917 0.0070917 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 0.1886793 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) = ( -0.4931278 0.5068722 0.0000000), wk = 0.0019763 k( 329) = ( -0.4862555 0.5137445 0.0000000), wk = 0.0019763 k( 330) = ( -0.4793833 0.5206167 0.0000000), wk = 0.0019763 k( 331) = ( -0.4725111 0.5274889 0.0000000), wk = 0.0019763 k( 332) = ( -0.4656389 0.5343611 0.0000000), wk = 0.0019763 k( 333) = ( -0.4587666 0.5412334 0.0000000), wk = 0.0019763 k( 334) = ( -0.4518944 0.5481056 0.0000000), wk = 0.0019763 k( 335) = ( -0.4450222 0.5549778 0.0000000), wk = 0.0019763 k( 336) = ( -0.4381499 0.5618501 0.0000000), wk = 0.0019763 k( 337) = ( -0.4312777 0.5687223 0.0000000), wk = 0.0019763 k( 338) = ( -0.4244055 0.5755945 0.0000000), wk = 0.0019763 k( 339) = ( -0.4175333 0.5824667 0.0000000), wk = 0.0019763 k( 340) = ( -0.4106610 0.5893390 0.0000000), wk = 0.0019763 k( 341) = ( -0.4037888 0.5962112 0.0000000), wk = 0.0019763 k( 342) = ( -0.3969166 0.6030834 0.0000000), wk = 0.0019763 k( 343) = ( -0.3900443 0.6099556 0.0000000), wk = 0.0019763 k( 344) = ( -0.3900443 0.6099556 0.0000000), wk = 0.0019763 k( 345) = ( -0.3900443 0.6099556 0.0111111), wk = 0.0019763 k( 346) = ( -0.3900443 0.6099556 0.0222222), wk = 0.0019763 k( 347) = ( -0.3900443 0.6099556 0.0333333), wk = 0.0019763 k( 348) = ( -0.3900443 0.6099556 0.0444444), wk = 0.0019763 k( 349) = ( -0.3900443 0.6099556 0.0555556), wk = 0.0019763 k( 350) = ( -0.3900443 0.6099556 0.0666667), wk = 0.0019763 k( 351) = ( -0.3900443 0.6099556 0.0777778), wk = 0.0019763 k( 352) = ( -0.3900443 0.6099556 0.0888889), wk = 0.0019763 k( 353) = ( -0.3900443 0.6099556 0.1000000), wk = 0.0019763 k( 354) = ( -0.3900443 0.6099556 0.1111111), wk = 0.0019763 k( 355) = ( -0.3900443 0.6099556 0.1222222), wk = 0.0019763 k( 356) = ( -0.3900443 0.6099556 0.1333333), wk = 0.0019763 k( 357) = ( -0.3900443 0.6099556 0.1444444), wk = 0.0019763 k( 358) = ( -0.3900443 0.6099556 0.1555556), wk = 0.0019763 k( 359) = ( -0.3900443 0.6099556 0.1666667), wk = 0.0019763 k( 360) = ( -0.3900443 0.6099556 0.1777778), wk = 0.0019763 k( 361) = ( -0.3900443 0.6099556 0.1888889), wk = 0.0019763 k( 362) = ( -0.3900443 0.6099556 0.2000000), wk = 0.0019763 k( 363) = ( -0.3900443 0.6099556 0.2111111), wk = 0.0019763 k( 364) = ( -0.3900443 0.6099556 0.2222222), wk = 0.0019763 k( 365) = ( -0.3900443 0.6099556 0.2333333), wk = 0.0019763 k( 366) = ( -0.3900443 0.6099556 0.2444444), wk = 0.0019763 k( 367) = ( -0.3900443 0.6099556 0.2555556), wk = 0.0019763 k( 368) = ( -0.3900443 0.6099556 0.2666667), wk = 0.0019763 k( 369) = ( -0.3900443 0.6099556 0.2777778), wk = 0.0019763 k( 370) = ( -0.3900443 0.6099556 0.2888889), wk = 0.0019763 k( 371) = ( -0.3900443 0.6099556 0.3000000), wk = 0.0019763 k( 372) = ( -0.3900443 0.6099556 0.3111111), wk = 0.0019763 k( 373) = ( -0.3900443 0.6099556 0.3222222), wk = 0.0019763 k( 374) = ( -0.3900443 0.6099556 0.3333333), wk = 0.0019763 k( 375) = ( -0.3900443 0.6099556 0.3444444), wk = 0.0019763 k( 376) = ( -0.3900443 0.6099556 0.3555556), wk = 0.0019763 k( 377) = ( -0.3900443 0.6099556 0.3666667), wk = 0.0019763 k( 378) = ( -0.3900443 0.6099556 0.3777778), wk = 0.0019763 k( 379) = ( -0.3900443 0.6099556 0.3888889), wk = 0.0019763 k( 380) = ( -0.3900443 0.6099556 0.4000000), wk = 0.0019763 k( 381) = ( -0.3900443 0.6099556 0.4111111), wk = 0.0019763 k( 382) = ( -0.3900443 0.6099556 0.4222222), wk = 0.0019763 k( 383) = ( -0.3900443 0.6099556 0.4333333), wk = 0.0019763 k( 384) = ( -0.3900443 0.6099556 0.4444444), wk = 0.0019763 k( 385) = ( -0.3900443 0.6099556 0.4555556), wk = 0.0019763 k( 386) = ( -0.3900443 0.6099556 0.4666667), wk = 0.0019763 k( 387) = ( -0.3900443 0.6099556 0.4777778), wk = 0.0019763 k( 388) = ( -0.3900443 0.6099556 0.4888889), wk = 0.0019763 k( 389) = ( -0.3900443 0.6099556 0.5000000), wk = 0.0019763 k( 390) = ( -0.3900443 0.6099556 0.5000000), wk = 0.0019763 k( 391) = ( -0.3969166 0.6030834 0.5000000), wk = 0.0019763 k( 392) = ( -0.4037888 0.5962112 0.5000000), wk = 0.0019763 k( 393) = ( -0.4106610 0.5893390 0.5000000), wk = 0.0019763 k( 394) = ( -0.4175333 0.5824667 0.5000000), wk = 0.0019763 k( 395) = ( -0.4244055 0.5755945 0.5000000), wk = 0.0019763 k( 396) = ( -0.4312777 0.5687223 0.5000000), wk = 0.0019763 k( 397) = ( -0.4381499 0.5618501 0.5000000), wk = 0.0019763 k( 398) = ( -0.4450222 0.5549778 0.5000000), wk = 0.0019763 k( 399) = ( -0.4518944 0.5481056 0.5000000), wk = 0.0019763 k( 400) = ( -0.4587666 0.5412334 0.5000000), wk = 0.0019763 k( 401) = ( -0.4656389 0.5343611 0.5000000), wk = 0.0019763 k( 402) = ( -0.4725111 0.5274889 0.5000000), wk = 0.0019763 k( 403) = ( -0.4793833 0.5206167 0.5000000), wk = 0.0019763 k( 404) = ( -0.4862555 0.5137445 0.5000000), wk = 0.0019763 k( 405) = ( -0.4931278 0.5068722 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 0.1886793 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: 32539 G-vectors FFT dimensions: ( 45, 45, 40) Smooth grid: 13731 G-vectors FFT dimensions: ( 32, 32, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 80, 36) NL pseudopotentials 0.06 Mb ( 40, 96) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 681) G-vector shells 0.00 Mb ( 335) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 80, 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 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 43.7 secs Computing kpt #: 4 total cpu time spent up to now is 44.3 secs Computing kpt #: 5 total cpu time spent up to now is 44.8 secs Computing kpt #: 6 total cpu time spent up to now is 45.4 secs Computing kpt #: 7 total cpu time spent up to now is 45.9 secs Computing kpt #: 8 total cpu time spent up to now is 46.5 secs Computing kpt #: 9 total cpu time spent up to now is 47.0 secs Computing kpt #: 10 total cpu time spent up to now is 47.6 secs Computing kpt #: 11 total cpu time spent up to now is 48.2 secs Computing kpt #: 12 total cpu time spent up to now is 48.8 secs Computing kpt #: 13 total cpu time spent up to now is 49.4 secs Computing kpt #: 14 total cpu time spent up to now is 50.1 secs Computing kpt #: 15 total cpu time spent up to now is 50.8 secs Computing kpt #: 16 total cpu time spent up to now is 51.4 secs Computing kpt #: 17 total cpu time spent up to now is 52.1 secs Computing kpt #: 18 total cpu time spent up to now is 52.8 secs Computing kpt #: 19 total cpu time spent up to now is 53.4 secs Computing kpt #: 20 total cpu time spent up to now is 54.1 secs Computing kpt #: 21 total cpu time spent up to now is 54.7 secs Computing kpt #: 22 total cpu time spent up to now is 55.3 secs Computing kpt #: 23 total cpu time spent up to now is 55.9 secs Computing kpt #: 24 total cpu time spent up to now is 56.5 secs Computing kpt #: 25 total cpu time spent up to now is 57.1 secs Computing kpt #: 26 total cpu time spent up to now is 57.8 secs Computing kpt #: 27 total cpu time spent up to now is 58.3 secs Computing kpt #: 28 total cpu time spent up to now is 58.9 secs Computing kpt #: 29 total cpu time spent up to now is 59.6 secs Computing kpt #: 30 total cpu time spent up to now is 60.1 secs Computing kpt #: 31 total cpu time spent up to now is 60.7 secs Computing kpt #: 32 total cpu time spent up to now is 61.2 secs Computing kpt #: 33 total cpu time spent up to now is 61.7 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 62.8 secs Computing kpt #: 36 total cpu time spent up to now is 63.4 secs Computing kpt #: 37 total cpu time spent up to now is 63.9 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 65.7 secs Computing kpt #: 41 total cpu time spent up to now is 66.3 secs Computing kpt #: 42 total cpu time spent up to now is 66.9 secs Computing kpt #: 43 total cpu time spent up to now is 67.4 secs Computing kpt #: 44 total cpu time spent up to now is 67.9 secs Computing kpt #: 45 total cpu time spent up to now is 68.4 secs Computing kpt #: 46 total cpu time spent up to now is 68.9 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 70.3 secs Computing kpt #: 50 total cpu time spent up to now is 71.0 secs Computing kpt #: 51 total cpu time spent up to now is 71.6 secs Computing kpt #: 52 total cpu time spent up to now is 72.1 secs Computing kpt #: 53 total cpu time spent up to now is 72.7 secs Computing kpt #: 54 total cpu time spent up to now is 73.2 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 74.3 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 75.9 secs Computing kpt #: 60 total cpu time spent up to now is 76.3 secs Computing kpt #: 61 total cpu time spent up to now is 76.8 secs Computing kpt #: 62 total cpu time spent up to now is 77.3 secs Computing kpt #: 63 total cpu time spent up to now is 77.8 secs Computing kpt #: 64 total cpu time spent up to now is 78.4 secs Computing kpt #: 65 total cpu time spent up to now is 78.9 secs Computing kpt #: 66 total cpu time spent up to now is 79.7 secs Computing kpt #: 67 total cpu time spent up to now is 80.2 secs Computing kpt #: 68 total cpu time spent up to now is 80.8 secs Computing kpt #: 69 total cpu time spent up to now is 81.5 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 82.8 secs Computing kpt #: 72 total cpu time spent up to now is 83.4 secs Computing kpt #: 73 total cpu time spent up to now is 83.9 secs Computing kpt #: 74 total cpu time spent up to now is 84.4 secs Computing kpt #: 75 total cpu time spent up to now is 85.0 secs Computing kpt #: 76 total cpu time spent up to now is 85.8 secs Computing kpt #: 77 total cpu time spent up to now is 87.4 secs Computing kpt #: 78 total cpu time spent up to now is 88.9 secs Computing kpt #: 79 total cpu time spent up to now is 90.5 secs Computing kpt #: 80 total cpu time spent up to now is 91.1 secs Computing kpt #: 81 total cpu time spent up to now is 91.7 secs Computing kpt #: 82 total cpu time spent up to now is 92.3 secs Computing kpt #: 83 total cpu time spent up to now is 93.0 secs Computing kpt #: 84 total cpu time spent up to now is 93.9 secs Computing kpt #: 85 total cpu time spent up to now is 94.6 secs Computing kpt #: 86 total cpu time spent up to now is 95.3 secs Computing kpt #: 87 total cpu time spent up to now is 96.1 secs Computing kpt #: 88 total cpu time spent up to now is 96.6 secs Computing kpt #: 89 total cpu time spent up to now is 97.5 secs Computing kpt #: 90 total cpu time spent up to now is 98.0 secs Computing kpt #: 91 total cpu time spent up to now is 98.6 secs Computing kpt #: 92 total cpu time spent up to now is 99.5 secs Computing kpt #: 93 total cpu time spent up to now is 100.2 secs Computing kpt #: 94 total cpu time spent up to now is 101.0 secs Computing kpt #: 95 total cpu time spent up to now is 101.5 secs Computing kpt #: 96 total cpu time spent up to now is 102.5 secs Computing kpt #: 97 total cpu time spent up to now is 103.0 secs Computing kpt #: 98 total cpu time spent up to now is 103.6 secs Computing kpt #: 99 total cpu time spent up to now is 104.5 secs Computing kpt #: 100 total cpu time spent up to now is 105.2 secs Computing kpt #: 101 total cpu time spent up to now is 105.7 secs Computing kpt #: 102 total cpu time spent up to now is 106.5 secs Computing kpt #: 103 total cpu time spent up to now is 107.0 secs Computing kpt #: 104 total cpu time spent up to now is 107.6 secs Computing kpt #: 105 total cpu time spent up to now is 108.1 secs Computing kpt #: 106 total cpu time spent up to now is 108.7 secs Computing kpt #: 107 total cpu time spent up to now is 109.4 secs Computing kpt #: 108 total cpu time spent up to now is 110.1 secs Computing kpt #: 109 total cpu time spent up to now is 110.9 secs Computing kpt #: 110 total cpu time spent up to now is 111.7 secs Computing kpt #: 111 total cpu time spent up to now is 112.3 secs Computing kpt #: 112 total cpu time spent up to now is 113.1 secs Computing kpt #: 113 total cpu time spent up to now is 113.6 secs Computing kpt #: 114 total cpu time spent up to now is 114.1 secs Computing kpt #: 115 total cpu time spent up to now is 114.7 secs Computing kpt #: 116 total cpu time spent up to now is 115.3 secs Computing kpt #: 117 total cpu time spent up to now is 115.9 secs Computing kpt #: 118 total cpu time spent up to now is 116.7 secs Computing kpt #: 119 total cpu time spent up to now is 118.0 secs Computing kpt #: 120 total cpu time spent up to now is 119.9 secs Computing kpt #: 121 total cpu time spent up to now is 121.0 secs Computing kpt #: 122 total cpu time spent up to now is 121.6 secs Computing kpt #: 123 total cpu time spent up to now is 122.1 secs Computing kpt #: 124 total cpu time spent up to now is 122.6 secs Computing kpt #: 125 total cpu time spent up to now is 123.2 secs Computing kpt #: 126 total cpu time spent up to now is 123.8 secs Computing kpt #: 127 total cpu time spent up to now is 124.5 secs Computing kpt #: 128 total cpu time spent up to now is 125.1 secs Computing kpt #: 129 total cpu time spent up to now is 125.7 secs Computing kpt #: 130 total cpu time spent up to now is 126.4 secs Computing kpt #: 131 total cpu time spent up to now is 127.0 secs Computing kpt #: 132 total cpu time spent up to now is 127.6 secs Computing kpt #: 133 total cpu time spent up to now is 128.3 secs Computing kpt #: 134 total cpu time spent up to now is 128.9 secs Computing kpt #: 135 total cpu time spent up to now is 129.5 secs Computing kpt #: 136 total cpu time spent up to now is 130.3 secs Computing kpt #: 137 total cpu time spent up to now is 130.9 secs Computing kpt #: 138 total cpu time spent up to now is 131.5 secs Computing kpt #: 139 total cpu time spent up to now is 132.0 secs Computing kpt #: 140 total cpu time spent up to now is 132.6 secs Computing kpt #: 141 total cpu time spent up to now is 133.2 secs Computing kpt #: 142 total cpu time spent up to now is 133.7 secs Computing kpt #: 143 total cpu time spent up to now is 134.4 secs Computing kpt #: 144 total cpu time spent up to now is 135.0 secs Computing kpt #: 145 total cpu time spent up to now is 135.7 secs Computing kpt #: 146 total cpu time spent up to now is 136.4 secs Computing kpt #: 147 total cpu time spent up to now is 137.1 secs Computing kpt #: 148 total cpu time spent up to now is 137.7 secs Computing kpt #: 149 total cpu time spent up to now is 138.3 secs Computing kpt #: 150 total cpu time spent up to now is 139.1 secs Computing kpt #: 151 total cpu time spent up to now is 139.8 secs Computing kpt #: 152 total cpu time spent up to now is 140.4 secs Computing kpt #: 153 total cpu time spent up to now is 141.0 secs Computing kpt #: 154 total cpu time spent up to now is 141.6 secs Computing kpt #: 155 total cpu time spent up to now is 142.3 secs Computing kpt #: 156 total cpu time spent up to now is 143.9 secs Computing kpt #: 157 total cpu time spent up to now is 145.4 secs Computing kpt #: 158 total cpu time spent up to now is 147.1 secs Computing kpt #: 159 total cpu time spent up to now is 147.7 secs Computing kpt #: 160 total cpu time spent up to now is 148.3 secs Computing kpt #: 161 total cpu time spent up to now is 148.8 secs Computing kpt #: 162 total cpu time spent up to now is 149.4 secs Computing kpt #: 163 total cpu time spent up to now is 150.0 secs Computing kpt #: 164 total cpu time spent up to now is 150.7 secs Computing kpt #: 165 total cpu time spent up to now is 151.3 secs Computing kpt #: 166 total cpu time spent up to now is 152.0 secs Computing kpt #: 167 total cpu time spent up to now is 152.7 secs Computing kpt #: 168 total cpu time spent up to now is 153.5 secs Computing kpt #: 169 total cpu time spent up to now is 154.0 secs Computing kpt #: 170 total cpu time spent up to now is 154.6 secs Computing kpt #: 171 total cpu time spent up to now is 155.1 secs Computing kpt #: 172 total cpu time spent up to now is 155.7 secs Computing kpt #: 173 total cpu time spent up to now is 156.2 secs Computing kpt #: 174 total cpu time spent up to now is 156.8 secs Computing kpt #: 175 total cpu time spent up to now is 157.4 secs Computing kpt #: 176 total cpu time spent up to now is 158.0 secs Computing kpt #: 177 total cpu time spent up to now is 158.7 secs Computing kpt #: 178 total cpu time spent up to now is 159.5 secs Computing kpt #: 179 total cpu time spent up to now is 160.3 secs Computing kpt #: 180 total cpu time spent up to now is 161.0 secs Computing kpt #: 181 total cpu time spent up to now is 161.8 secs Computing kpt #: 182 total cpu time spent up to now is 162.4 secs Computing kpt #: 183 total cpu time spent up to now is 163.0 secs Computing kpt #: 184 total cpu time spent up to now is 163.5 secs Computing kpt #: 185 total cpu time spent up to now is 164.1 secs Computing kpt #: 186 total cpu time spent up to now is 164.7 secs Computing kpt #: 187 total cpu time spent up to now is 165.3 secs Computing kpt #: 188 total cpu time spent up to now is 166.1 secs Computing kpt #: 189 total cpu time spent up to now is 166.7 secs Computing kpt #: 190 total cpu time spent up to now is 167.4 secs Computing kpt #: 191 total cpu time spent up to now is 168.1 secs Computing kpt #: 192 total cpu time spent up to now is 168.7 secs Computing kpt #: 193 total cpu time spent up to now is 169.3 secs Computing kpt #: 194 total cpu time spent up to now is 169.8 secs Computing kpt #: 195 total cpu time spent up to now is 170.4 secs Computing kpt #: 196 total cpu time spent up to now is 171.1 secs Computing kpt #: 197 total cpu time spent up to now is 172.5 secs Computing kpt #: 198 total cpu time spent up to now is 174.0 secs Computing kpt #: 199 total cpu time spent up to now is 174.6 secs Computing kpt #: 200 total cpu time spent up to now is 175.1 secs Computing kpt #: 201 total cpu time spent up to now is 175.6 secs Computing kpt #: 202 total cpu time spent up to now is 176.1 secs Computing kpt #: 203 total cpu time spent up to now is 176.6 secs Computing kpt #: 204 total cpu time spent up to now is 177.1 secs Computing kpt #: 205 total cpu time spent up to now is 177.8 secs Computing kpt #: 206 total cpu time spent up to now is 178.3 secs Computing kpt #: 207 total cpu time spent up to now is 178.8 secs Computing kpt #: 208 total cpu time spent up to now is 179.4 secs Computing kpt #: 209 total cpu time spent up to now is 180.0 secs Computing kpt #: 210 total cpu time spent up to now is 180.5 secs Computing kpt #: 211 total cpu time spent up to now is 181.2 secs Computing kpt #: 212 total cpu time spent up to now is 182.0 secs Computing kpt #: 213 total cpu time spent up to now is 182.5 secs Computing kpt #: 214 total cpu time spent up to now is 183.5 secs Computing kpt #: 215 total cpu time spent up to now is 184.1 secs Computing kpt #: 216 total cpu time spent up to now is 184.7 secs Computing kpt #: 217 total cpu time spent up to now is 185.2 secs Computing kpt #: 218 total cpu time spent up to now is 185.7 secs Computing kpt #: 219 total cpu time spent up to now is 186.2 secs Computing kpt #: 220 total cpu time spent up to now is 186.8 secs Computing kpt #: 221 total cpu time spent up to now is 187.5 secs Computing kpt #: 222 total cpu time spent up to now is 188.1 secs Computing kpt #: 223 total cpu time spent up to now is 188.7 secs Computing kpt #: 224 total cpu time spent up to now is 189.3 secs Computing kpt #: 225 total cpu time spent up to now is 189.8 secs Computing kpt #: 226 total cpu time spent up to now is 190.3 secs Computing kpt #: 227 total cpu time spent up to now is 191.3 secs Computing kpt #: 228 total cpu time spent up to now is 192.7 secs Computing kpt #: 229 total cpu time spent up to now is 194.0 secs Computing kpt #: 230 total cpu time spent up to now is 195.0 secs Computing kpt #: 231 total cpu time spent up to now is 195.5 secs Computing kpt #: 232 total cpu time spent up to now is 196.1 secs Computing kpt #: 233 total cpu time spent up to now is 196.7 secs Computing kpt #: 234 total cpu time spent up to now is 197.2 secs Computing kpt #: 235 total cpu time spent up to now is 197.9 secs Computing kpt #: 236 total cpu time spent up to now is 198.5 secs Computing kpt #: 237 total cpu time spent up to now is 199.0 secs Computing kpt #: 238 total cpu time spent up to now is 199.7 secs Computing kpt #: 239 total cpu time spent up to now is 200.3 secs Computing kpt #: 240 total cpu time spent up to now is 200.8 secs Computing kpt #: 241 total cpu time spent up to now is 201.4 secs Computing kpt #: 242 total cpu time spent up to now is 201.9 secs Computing kpt #: 243 total cpu time spent up to now is 202.4 secs Computing kpt #: 244 total cpu time spent up to now is 202.9 secs Computing kpt #: 245 total cpu time spent up to now is 203.4 secs Computing kpt #: 246 total cpu time spent up to now is 204.0 secs Computing kpt #: 247 total cpu time spent up to now is 204.6 secs Computing kpt #: 248 total cpu time spent up to now is 205.2 secs Computing kpt #: 249 total cpu time spent up to now is 206.0 secs Computing kpt #: 250 total cpu time spent up to now is 206.7 secs Computing kpt #: 251 total cpu time spent up to now is 207.3 secs Computing kpt #: 252 total cpu time spent up to now is 207.8 secs Computing kpt #: 253 total cpu time spent up to now is 208.3 secs Computing kpt #: 254 total cpu time spent up to now is 208.8 secs Computing kpt #: 255 total cpu time spent up to now is 209.4 secs Computing kpt #: 256 total cpu time spent up to now is 210.0 secs Computing kpt #: 257 total cpu time spent up to now is 210.7 secs Computing kpt #: 258 total cpu time spent up to now is 211.2 secs Computing kpt #: 259 total cpu time spent up to now is 211.8 secs Computing kpt #: 260 total cpu time spent up to now is 212.4 secs Computing kpt #: 261 total cpu time spent up to now is 213.2 secs Computing kpt #: 262 total cpu time spent up to now is 213.7 secs Computing kpt #: 263 total cpu time spent up to now is 214.2 secs Computing kpt #: 264 total cpu time spent up to now is 214.8 secs Computing kpt #: 265 total cpu time spent up to now is 215.3 secs Computing kpt #: 266 total cpu time spent up to now is 215.9 secs Computing kpt #: 267 total cpu time spent up to now is 217.3 secs Computing kpt #: 268 total cpu time spent up to now is 218.8 secs Computing kpt #: 269 total cpu time spent up to now is 220.3 secs Computing kpt #: 270 total cpu time spent up to now is 220.8 secs Computing kpt #: 271 total cpu time spent up to now is 221.3 secs Computing kpt #: 272 total cpu time spent up to now is 221.9 secs Computing kpt #: 273 total cpu time spent up to now is 222.4 secs Computing kpt #: 274 total cpu time spent up to now is 223.1 secs Computing kpt #: 275 total cpu time spent up to now is 223.7 secs Computing kpt #: 276 total cpu time spent up to now is 224.2 secs Computing kpt #: 277 total cpu time spent up to now is 224.8 secs Computing kpt #: 278 total cpu time spent up to now is 225.4 secs Computing kpt #: 279 total cpu time spent up to now is 225.9 secs Computing kpt #: 280 total cpu time spent up to now is 226.6 secs Computing kpt #: 281 total cpu time spent up to now is 227.2 secs Computing kpt #: 282 total cpu time spent up to now is 228.0 secs Computing kpt #: 283 total cpu time spent up to now is 228.5 secs Computing kpt #: 284 total cpu time spent up to now is 229.1 secs Computing kpt #: 285 total cpu time spent up to now is 229.6 secs Computing kpt #: 286 total cpu time spent up to now is 230.1 secs Computing kpt #: 287 total cpu time spent up to now is 230.6 secs Computing kpt #: 288 total cpu time spent up to now is 231.6 secs Computing kpt #: 289 total cpu time spent up to now is 232.1 secs Computing kpt #: 290 total cpu time spent up to now is 232.6 secs Computing kpt #: 291 total cpu time spent up to now is 233.1 secs Computing kpt #: 292 total cpu time spent up to now is 233.6 secs Computing kpt #: 293 total cpu time spent up to now is 234.1 secs Computing kpt #: 294 total cpu time spent up to now is 234.6 secs Computing kpt #: 295 total cpu time spent up to now is 235.1 secs Computing kpt #: 296 total cpu time spent up to now is 235.5 secs Computing kpt #: 297 total cpu time spent up to now is 236.2 secs Computing kpt #: 298 total cpu time spent up to now is 236.9 secs Computing kpt #: 299 total cpu time spent up to now is 237.3 secs Computing kpt #: 300 total cpu time spent up to now is 237.8 secs Computing kpt #: 301 total cpu time spent up to now is 238.3 secs Computing kpt #: 302 total cpu time spent up to now is 238.7 secs Computing kpt #: 303 total cpu time spent up to now is 239.2 secs Computing kpt #: 304 total cpu time spent up to now is 239.7 secs Computing kpt #: 305 total cpu time spent up to now is 240.1 secs Computing kpt #: 306 total cpu time spent up to now is 240.6 secs Computing kpt #: 307 total cpu time spent up to now is 241.2 secs Computing kpt #: 308 total cpu time spent up to now is 241.7 secs Computing kpt #: 309 total cpu time spent up to now is 242.2 secs Computing kpt #: 310 total cpu time spent up to now is 243.0 secs Computing kpt #: 311 total cpu time spent up to now is 244.2 secs Computing kpt #: 312 total cpu time spent up to now is 245.5 secs Computing kpt #: 313 total cpu time spent up to now is 246.7 secs Computing kpt #: 314 total cpu time spent up to now is 247.4 secs Computing kpt #: 315 total cpu time spent up to now is 247.9 secs Computing kpt #: 316 total cpu time spent up to now is 248.3 secs Computing kpt #: 317 total cpu time spent up to now is 248.8 secs Computing kpt #: 318 total cpu time spent up to now is 249.3 secs Computing kpt #: 319 total cpu time spent up to now is 249.9 secs Computing kpt #: 320 total cpu time spent up to now is 250.7 secs Computing kpt #: 321 total cpu time spent up to now is 251.2 secs Computing kpt #: 322 total cpu time spent up to now is 251.9 secs Computing kpt #: 323 total cpu time spent up to now is 252.5 secs Computing kpt #: 324 total cpu time spent up to now is 253.1 secs Computing kpt #: 325 total cpu time spent up to now is 253.7 secs Computing kpt #: 326 total cpu time spent up to now is 254.2 secs Computing kpt #: 327 total cpu time spent up to now is 254.6 secs Computing kpt #: 328 total cpu time spent up to now is 255.1 secs Computing kpt #: 329 total cpu time spent up to now is 255.6 secs Computing kpt #: 330 total cpu time spent up to now is 256.1 secs Computing kpt #: 331 total cpu time spent up to now is 256.5 secs Computing kpt #: 332 total cpu time spent up to now is 257.1 secs Computing kpt #: 333 total cpu time spent up to now is 257.7 secs Computing kpt #: 334 total cpu time spent up to now is 258.2 secs Computing kpt #: 335 total cpu time spent up to now is 258.8 secs Computing kpt #: 336 total cpu time spent up to now is 259.3 secs Computing kpt #: 337 total cpu time spent up to now is 259.8 secs Computing kpt #: 338 total cpu time spent up to now is 260.3 secs Computing kpt #: 339 total cpu time spent up to now is 260.8 secs Computing kpt #: 340 total cpu time spent up to now is 261.4 secs Computing kpt #: 341 total cpu time spent up to now is 261.9 secs Computing kpt #: 342 total cpu time spent up to now is 262.4 secs Computing kpt #: 343 total cpu time spent up to now is 262.8 secs Computing kpt #: 344 total cpu time spent up to now is 263.3 secs Computing kpt #: 345 total cpu time spent up to now is 264.1 secs Computing kpt #: 346 total cpu time spent up to now is 264.6 secs Computing kpt #: 347 total cpu time spent up to now is 265.6 secs Computing kpt #: 348 total cpu time spent up to now is 266.4 secs Computing kpt #: 349 total cpu time spent up to now is 267.1 secs Computing kpt #: 350 total cpu time spent up to now is 267.8 secs Computing kpt #: 351 total cpu time spent up to now is 268.6 secs Computing kpt #: 352 total cpu time spent up to now is 269.4 secs Computing kpt #: 353 total cpu time spent up to now is 270.2 secs Computing kpt #: 354 total cpu time spent up to now is 270.9 secs Computing kpt #: 355 total cpu time spent up to now is 272.7 secs Computing kpt #: 356 total cpu time spent up to now is 273.9 secs Computing kpt #: 357 total cpu time spent up to now is 275.0 secs Computing kpt #: 358 total cpu time spent up to now is 276.0 secs Computing kpt #: 359 total cpu time spent up to now is 276.6 secs Computing kpt #: 360 total cpu time spent up to now is 277.1 secs Computing kpt #: 361 total cpu time spent up to now is 277.7 secs Computing kpt #: 362 total cpu time spent up to now is 278.3 secs Computing kpt #: 363 total cpu time spent up to now is 278.9 secs Computing kpt #: 364 total cpu time spent up to now is 279.5 secs Computing kpt #: 365 total cpu time spent up to now is 280.2 secs Computing kpt #: 366 total cpu time spent up to now is 280.7 secs Computing kpt #: 367 total cpu time spent up to now is 281.3 secs Computing kpt #: 368 total cpu time spent up to now is 281.8 secs Computing kpt #: 369 total cpu time spent up to now is 282.4 secs Computing kpt #: 370 total cpu time spent up to now is 283.0 secs Computing kpt #: 371 total cpu time spent up to now is 283.5 secs Computing kpt #: 372 total cpu time spent up to now is 284.4 secs Computing kpt #: 373 total cpu time spent up to now is 285.0 secs Computing kpt #: 374 total cpu time spent up to now is 286.1 secs Computing kpt #: 375 total cpu time spent up to now is 287.0 secs Computing kpt #: 376 total cpu time spent up to now is 287.8 secs Computing kpt #: 377 total cpu time spent up to now is 288.6 secs Computing kpt #: 378 total cpu time spent up to now is 289.3 secs Computing kpt #: 379 total cpu time spent up to now is 289.9 secs Computing kpt #: 380 total cpu time spent up to now is 290.5 secs Computing kpt #: 381 total cpu time spent up to now is 291.1 secs Computing kpt #: 382 total cpu time spent up to now is 291.7 secs Computing kpt #: 383 total cpu time spent up to now is 292.2 secs Computing kpt #: 384 total cpu time spent up to now is 292.8 secs Computing kpt #: 385 total cpu time spent up to now is 293.4 secs Computing kpt #: 386 total cpu time spent up to now is 294.0 secs Computing kpt #: 387 total cpu time spent up to now is 294.6 secs Computing kpt #: 388 total cpu time spent up to now is 295.1 secs Computing kpt #: 389 total cpu time spent up to now is 295.8 secs Computing kpt #: 390 total cpu time spent up to now is 296.4 secs Computing kpt #: 391 total cpu time spent up to now is 297.1 secs Computing kpt #: 392 total cpu time spent up to now is 298.6 secs Computing kpt #: 393 total cpu time spent up to now is 300.0 secs Computing kpt #: 394 total cpu time spent up to now is 301.4 secs Computing kpt #: 395 total cpu time spent up to now is 302.1 secs Computing kpt #: 396 total cpu time spent up to now is 302.7 secs Computing kpt #: 397 total cpu time spent up to now is 303.3 secs Computing kpt #: 398 total cpu time spent up to now is 303.8 secs Computing kpt #: 399 total cpu time spent up to now is 304.3 secs Computing kpt #: 400 total cpu time spent up to now is 304.9 secs Computing kpt #: 401 total cpu time spent up to now is 305.4 secs Computing kpt #: 402 total cpu time spent up to now is 306.0 secs Computing kpt #: 403 total cpu time spent up to now is 306.5 secs Computing kpt #: 404 total cpu time spent up to now is 307.1 secs Computing kpt #: 405 total cpu time spent up to now is 307.7 secs Computing kpt #: 406 total cpu time spent up to now is 308.6 secs Computing kpt #: 407 total cpu time spent up to now is 309.3 secs Computing kpt #: 408 total cpu time spent up to now is 309.8 secs Computing kpt #: 409 total cpu time spent up to now is 310.3 secs Computing kpt #: 410 total cpu time spent up to now is 310.9 secs Computing kpt #: 411 total cpu time spent up to now is 311.5 secs Computing kpt #: 412 total cpu time spent up to now is 312.1 secs Computing kpt #: 413 total cpu time spent up to now is 312.8 secs Computing kpt #: 414 total cpu time spent up to now is 313.5 secs Computing kpt #: 415 total cpu time spent up to now is 314.2 secs Computing kpt #: 416 total cpu time spent up to now is 315.0 secs Computing kpt #: 417 total cpu time spent up to now is 315.5 secs Computing kpt #: 418 total cpu time spent up to now is 316.1 secs Computing kpt #: 419 total cpu time spent up to now is 316.7 secs Computing kpt #: 420 total cpu time spent up to now is 317.3 secs Computing kpt #: 421 total cpu time spent up to now is 317.8 secs Computing kpt #: 422 total cpu time spent up to now is 318.3 secs Computing kpt #: 423 total cpu time spent up to now is 318.8 secs Computing kpt #: 424 total cpu time spent up to now is 319.4 secs Computing kpt #: 425 total cpu time spent up to now is 320.0 secs Computing kpt #: 426 total cpu time spent up to now is 320.6 secs Computing kpt #: 427 total cpu time spent up to now is 321.1 secs Computing kpt #: 428 total cpu time spent up to now is 321.7 secs Computing kpt #: 429 total cpu time spent up to now is 322.5 secs Computing kpt #: 430 total cpu time spent up to now is 323.1 secs Computing kpt #: 431 total cpu time spent up to now is 323.7 secs Computing kpt #: 432 total cpu time spent up to now is 324.4 secs Computing kpt #: 433 total cpu time spent up to now is 324.9 secs Computing kpt #: 434 total cpu time spent up to now is 325.4 secs Computing kpt #: 435 total cpu time spent up to now is 325.9 secs Computing kpt #: 436 total cpu time spent up to now is 326.4 secs Computing kpt #: 437 total cpu time spent up to now is 326.9 secs Computing kpt #: 438 total cpu time spent up to now is 327.4 secs Computing kpt #: 439 total cpu time spent up to now is 327.9 secs Computing kpt #: 440 total cpu time spent up to now is 328.4 secs Computing kpt #: 441 total cpu time spent up to now is 329.4 secs Computing kpt #: 442 total cpu time spent up to now is 330.7 secs Computing kpt #: 443 total cpu time spent up to now is 332.1 secs Computing kpt #: 444 total cpu time spent up to now is 333.4 secs Computing kpt #: 445 total cpu time spent up to now is 334.4 secs Computing kpt #: 446 total cpu time spent up to now is 334.9 secs Computing kpt #: 447 total cpu time spent up to now is 335.5 secs Computing kpt #: 448 total cpu time spent up to now is 336.1 secs Computing kpt #: 449 total cpu time spent up to now is 336.7 secs Computing kpt #: 450 total cpu time spent up to now is 337.3 secs Computing kpt #: 451 total cpu time spent up to now is 337.8 secs Computing kpt #: 452 total cpu time spent up to now is 338.3 secs Computing kpt #: 453 total cpu time spent up to now is 338.8 secs Computing kpt #: 454 total cpu time spent up to now is 339.3 secs Computing kpt #: 455 total cpu time spent up to now is 339.8 secs Computing kpt #: 456 total cpu time spent up to now is 340.7 secs Computing kpt #: 457 total cpu time spent up to now is 341.4 secs Computing kpt #: 458 total cpu time spent up to now is 341.9 secs Computing kpt #: 459 total cpu time spent up to now is 342.3 secs Computing kpt #: 460 total cpu time spent up to now is 342.8 secs Computing kpt #: 461 total cpu time spent up to now is 343.4 secs Computing kpt #: 462 total cpu time spent up to now is 343.9 secs Computing kpt #: 463 total cpu time spent up to now is 344.5 secs Computing kpt #: 464 total cpu time spent up to now is 345.1 secs Computing kpt #: 465 total cpu time spent up to now is 345.6 secs Computing kpt #: 466 total cpu time spent up to now is 346.1 secs Computing kpt #: 467 total cpu time spent up to now is 346.7 secs Computing kpt #: 468 total cpu time spent up to now is 347.2 secs Computing kpt #: 469 total cpu time spent up to now is 347.9 secs Computing kpt #: 470 total cpu time spent up to now is 348.4 secs Computing kpt #: 471 total cpu time spent up to now is 348.9 secs Computing kpt #: 472 total cpu time spent up to now is 349.4 secs Computing kpt #: 473 total cpu time spent up to now is 350.0 secs Computing kpt #: 474 total cpu time spent up to now is 350.5 secs Computing kpt #: 475 total cpu time spent up to now is 351.1 secs Computing kpt #: 476 total cpu time spent up to now is 351.6 secs Computing kpt #: 477 total cpu time spent up to now is 352.2 secs Computing kpt #: 478 total cpu time spent up to now is 352.8 secs Computing kpt #: 479 total cpu time spent up to now is 353.4 secs Computing kpt #: 480 total cpu time spent up to now is 354.3 secs Computing kpt #: 481 total cpu time spent up to now is 354.8 secs Computing kpt #: 482 total cpu time spent up to now is 355.3 secs Computing kpt #: 483 total cpu time spent up to now is 355.8 secs Computing kpt #: 484 total cpu time spent up to now is 356.3 secs Computing kpt #: 485 total cpu time spent up to now is 356.8 secs Computing kpt #: 486 total cpu time spent up to now is 357.3 secs Computing kpt #: 487 total cpu time spent up to now is 358.0 secs Computing kpt #: 488 total cpu time spent up to now is 358.6 secs Computing kpt #: 489 total cpu time spent up to now is 360.1 secs Computing kpt #: 490 total cpu time spent up to now is 361.4 secs Computing kpt #: 491 total cpu time spent up to now is 362.9 secs Computing kpt #: 492 total cpu time spent up to now is 364.1 secs Computing kpt #: 493 total cpu time spent up to now is 364.7 secs Computing kpt #: 494 total cpu time spent up to now is 365.2 secs Computing kpt #: 495 total cpu time spent up to now is 365.8 secs Computing kpt #: 496 total cpu time spent up to now is 366.5 secs Computing kpt #: 497 total cpu time spent up to now is 367.2 secs Computing kpt #: 498 total cpu time spent up to now is 367.9 secs Computing kpt #: 499 total cpu time spent up to now is 368.7 secs Computing kpt #: 500 total cpu time spent up to now is 369.5 secs Computing kpt #: 501 total cpu time spent up to now is 370.2 secs Computing kpt #: 502 total cpu time spent up to now is 370.8 secs Computing kpt #: 503 total cpu time spent up to now is 371.5 secs Computing kpt #: 504 total cpu time spent up to now is 372.2 secs Computing kpt #: 505 total cpu time spent up to now is 372.7 secs Computing kpt #: 506 total cpu time spent up to now is 373.2 secs ethr = 3.57E-11, avg # of iterations = 18.4 total cpu time spent up to now is 373.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3778 -29.3778 -10.3357 -10.3357 -8.9110 -8.9110 -8.8949 -8.8949 -2.4972 -2.4972 4.7608 4.7608 6.6234 6.6234 8.1296 8.1296 9.3961 9.3961 9.9975 9.9975 11.2066 11.2066 11.4333 11.4333 11.5420 11.5420 12.5962 12.5962 13.9087 13.9087 14.1975 14.1975 14.9162 14.9162 16.8317 16.8317 k = 0.0071 0.0095-0.0000 ( 1715 PWs) bands (ev): -29.3777 -29.3777 -10.3362 -10.3354 -8.9120 -8.9103 -8.8951 -8.8948 -2.4968 -2.4961 4.7575 4.7584 6.6264 6.6272 8.1296 8.1308 9.3947 9.3949 9.9984 9.9984 11.2073 11.2079 11.4274 11.4307 11.5412 11.5418 12.5888 12.6008 13.9071 13.9076 14.1999 14.2079 14.9169 14.9179 16.8276 16.8324 k = 0.0142 0.0190-0.0000 ( 1719 PWs) bands (ev): -29.3777 -29.3777 -10.3369 -10.3353 -8.9135 -8.9101 -8.8955 -8.8947 -2.4949 -2.4934 4.7486 4.7505 6.6361 6.6377 8.1307 8.1331 9.3905 9.3911 10.0009 10.0010 11.2098 11.2110 11.4131 11.4195 11.5393 11.5404 12.5789 12.6027 13.9031 13.9047 14.2145 14.2299 14.9200 14.9220 16.8203 16.8299 k = 0.0213 0.0284-0.0000 ( 1715 PWs) bands (ev): -29.3776 -29.3776 -10.3378 -10.3354 -8.9153 -8.9103 -8.8959 -8.8947 -2.4915 -2.4892 4.7346 4.7373 6.6522 6.6545 8.1330 8.1365 9.3837 9.3845 10.0051 10.0053 11.2139 11.2162 11.3909 11.3999 11.5365 11.5382 12.5669 12.6017 13.8983 13.9015 14.2400 14.2618 14.9254 14.9282 16.8100 16.8242 k = 0.0284 0.0379-0.0000 ( 1715 PWs) bands (ev): -29.3775 -29.3775 -10.3388 -10.3356 -8.9176 -8.9108 -8.8964 -8.8948 -2.4866 -2.4835 4.7155 4.7191 6.6744 6.6774 8.1363 8.1411 9.3743 9.3754 10.0110 10.0111 11.2194 11.2233 11.3613 11.3720 11.5331 11.5350 12.5532 12.5981 13.8941 13.8993 14.2741 14.3012 14.9327 14.9364 16.7971 16.8157 k = 0.0355 0.0474-0.0000 ( 1725 PWs) bands (ev): -29.3773 -29.3773 -10.3400 -10.3360 -8.9203 -8.9117 -8.8970 -8.8949 -2.4802 -2.4764 4.6921 4.6962 6.7020 6.7056 8.1408 8.1467 9.3624 9.3638 10.0184 10.0185 11.2249 11.2323 11.3257 11.3361 11.5290 11.5310 12.5380 12.5921 13.8917 13.8992 14.3149 14.3464 14.9415 14.9459 16.7821 16.8048 k = 0.0426 0.0569-0.0000 ( 1721 PWs) bands (ev): -29.3772 -29.3772 -10.3414 -10.3366 -8.9233 -8.9130 -8.8978 -8.8951 -2.4724 -2.4678 4.6649 4.6696 6.7346 6.7385 8.1463 8.1534 9.3480 9.3497 10.0274 10.0275 11.2261 11.2435 11.2896 11.2931 11.5246 11.5264 12.5221 12.5842 13.8921 13.9019 14.3608 14.3961 14.9513 14.9564 16.7655 16.7920 k = 0.0496 0.0663-0.0000 ( 1717 PWs) bands (ev): -29.3770 -29.3770 -10.3430 -10.3374 -8.9267 -8.9146 -8.8986 -8.8954 -2.4632 -2.4577 4.6344 4.6395 6.7713 6.7756 8.1528 8.1611 9.3312 9.3332 10.0379 10.0379 11.2043 11.2432 11.2566 11.2721 11.5199 11.5213 12.5058 12.5748 13.8956 13.9075 14.4105 14.4489 14.9615 14.9670 16.7482 16.7779 k = 0.0567 0.0758-0.0000 ( 1717 PWs) bands (ev): -29.3767 -29.3767 -10.3447 -10.3384 -8.9305 -8.9165 -8.8995 -8.8957 -2.4526 -2.4463 4.6014 4.6068 6.8116 6.8161 8.1603 8.1697 9.3122 9.3145 10.0496 10.0496 11.1561 11.1878 11.2715 11.2769 11.5152 11.5156 12.4891 12.5640 13.9023 13.9161 14.4629 14.5039 14.9712 14.9769 16.7310 16.7635 k = 0.0638 0.0853-0.0000 ( 1717 PWs) bands (ev): -29.3764 -29.3764 -10.3466 -10.3395 -8.9346 -8.9188 -8.9006 -8.8962 -2.4407 -2.4335 4.5662 4.5718 6.8547 6.8593 8.1686 8.1791 9.2910 9.2936 10.0625 10.0626 11.0977 11.1275 11.2883 11.2887 11.5096 11.5107 12.4724 12.5522 13.9122 13.9277 14.5171 14.5602 14.9796 14.9852 16.7149 16.7495 k = 0.0709 0.0948-0.0000 ( 1717 PWs) bands (ev): -29.3761 -29.3761 -10.3487 -10.3408 -8.9391 -8.9214 -8.9017 -8.8966 -2.4275 -2.4195 4.5296 4.5352 6.8999 6.9046 8.1776 8.1892 9.2677 9.2706 10.0764 10.0767 11.0342 11.0632 11.3029 11.3069 11.5033 11.5069 12.4560 12.5396 13.9252 13.9422 14.5725 14.6173 14.9858 14.9911 16.7010 16.7370 k = 0.0780 0.1042-0.0000 ( 1717 PWs) bands (ev): -29.3758 -29.3758 -10.3509 -10.3422 -8.9439 -8.9243 -8.9028 -8.8972 -2.4131 -2.4042 4.4919 4.4974 6.9466 6.9512 8.1873 8.2000 9.2425 9.2458 10.0910 10.0916 10.9676 10.9961 11.3182 11.3271 11.4970 11.5044 12.4397 12.5266 13.9411 13.9592 14.6283 14.6745 14.9887 14.9933 16.6904 16.7269 k = 0.0851 0.1137-0.0000 ( 1717 PWs) bands (ev): -29.3755 -29.3755 -10.3533 -10.3438 -8.9489 -8.9275 -8.9040 -8.8978 -2.3975 -2.3877 4.4536 4.4590 6.9942 6.9987 8.1973 8.2111 9.2156 9.2192 10.1061 10.1071 10.8992 10.9271 11.3334 11.3490 11.4908 11.5038 12.4236 12.5131 13.9597 13.9787 14.6841 14.7313 14.9875 14.9910 16.6842 16.7203 k = 0.0922 0.1232-0.0000 ( 1723 PWs) bands (ev): -29.3751 -29.3751 -10.3558 -10.3456 -8.9543 -8.9311 -8.9053 -8.8984 -2.3809 -2.3701 4.4152 4.4203 7.0422 7.0465 8.2076 8.2225 9.1871 9.1910 10.1213 10.1227 10.8303 10.8576 11.3475 11.3719 11.4850 11.5061 12.4079 12.4993 13.9808 14.0005 14.7393 14.7872 14.9811 14.9832 16.6835 16.7182 k = 0.0993 0.1327-0.0000 ( 1723 PWs) bands (ev): -29.3747 -29.3747 -10.3584 -10.3474 -8.9599 -8.9348 -8.9066 -8.8991 -2.3632 -2.3515 4.3771 4.3817 7.0899 7.0940 8.2180 8.2338 9.1571 9.1613 10.1360 10.1379 10.7624 10.7889 11.3593 11.3954 11.4806 11.5125 12.3924 12.4854 14.0041 14.0244 14.7936 14.8421 14.9690 14.9692 16.6892 16.7212 k = 0.1064 0.1421-0.0000 ( 1723 PWs) bands (ev): -29.3742 -29.3742 -10.3612 -10.3494 -8.9657 -8.9389 -8.9079 -8.8999 -2.3446 -2.3319 4.3395 4.3436 7.1369 7.1407 8.2280 8.2448 9.1258 9.1303 10.1494 10.1520 10.6970 10.7226 11.3679 11.4172 11.4796 11.5240 12.3771 12.4714 14.0296 14.0502 14.8466 14.8955 14.9485 14.9506 16.7018 16.7296 k = 0.1135 0.1516-0.0000 ( 1719 PWs) bands (ev): -29.3738 -29.3738 -10.3640 -10.3516 -8.9717 -8.9432 -8.9093 -8.9007 -2.3251 -2.3114 4.3027 4.3063 7.1827 7.1862 8.2374 8.2552 9.0933 9.0982 10.1605 10.1640 10.6360 10.6605 11.3730 11.4319 11.4875 11.5410 12.3619 12.4571 14.0570 14.0777 14.8962 14.9208 14.9272 14.9471 16.7218 16.7425 k = 0.1206 0.1611-0.0000 ( 1723 PWs) bands (ev): -29.3733 -29.3733 -10.3670 -10.3538 -8.9780 -8.9477 -8.9107 -8.9015 -2.3048 -2.2901 4.2671 4.2700 7.2269 7.2300 8.2457 8.2645 9.0599 9.0651 10.1676 10.1724 10.5819 10.6048 11.3746 11.4356 11.5080 11.5630 12.3467 12.4426 14.0861 14.1070 14.8861 14.8907 14.9505 14.9966 16.7493 16.7559 k = 0.1277 0.1706-0.0000 ( 1715 PWs) bands (ev): -29.3728 -29.3728 -10.3700 -10.3562 -8.9844 -8.9525 -8.9121 -8.9024 -2.2838 -2.2680 4.2329 4.2351 7.2691 7.2718 8.2525 8.2723 9.0256 9.0311 10.1688 10.1752 10.5373 10.5583 11.3737 11.4331 11.5366 11.5895 12.3315 12.4279 14.1170 14.1378 14.8448 14.8526 14.9976 15.0440 16.7612 16.7842 k = 0.1347 0.1800-0.0000 ( 1715 PWs) bands (ev): -29.3723 -29.3723 -10.3732 -10.3586 -8.9909 -8.9574 -8.9135 -8.9033 -2.2621 -2.2452 4.2003 4.2016 7.3087 7.3111 8.2574 8.2782 8.9906 8.9965 10.1622 10.1707 10.5049 10.5236 11.3708 11.4281 11.5691 11.6195 12.3160 12.4127 14.1495 14.1701 14.7974 14.8077 15.0432 15.0890 16.7564 16.8260 k = 0.1418 0.1895-0.0000 ( 1713 PWs) bands (ev): -29.3718 -29.3718 -10.3764 -10.3612 -8.9976 -8.9625 -8.9149 -8.9042 -2.2399 -2.2219 4.1694 4.1699 7.3455 7.3475 8.2599 8.2817 8.9551 8.9613 10.1474 10.1579 10.4858 10.5023 11.3667 11.4221 11.6044 11.6525 12.3001 12.3970 14.1834 14.2038 14.7444 14.7570 15.0865 15.1313 16.7465 16.8183 k = 0.1489 0.1990-0.0000 ( 1717 PWs) bands (ev): -29.3712 -29.3712 -10.3797 -10.3638 -9.0044 -8.9678 -8.9163 -8.9051 -2.2173 -2.1982 4.1401 4.1406 7.3791 7.3807 8.2595 8.2823 8.9192 8.9257 10.1261 10.1382 10.4790 10.4936 11.3615 11.4155 11.6416 11.6880 12.2837 12.3807 14.2188 14.2388 14.6866 14.7012 15.1273 15.1709 16.7343 16.8049 k = 0.1560 0.2085-0.0000 ( 1721 PWs) bands (ev): -29.3707 -29.3706 -10.3831 -10.3666 -9.0112 -8.9732 -8.9177 -8.9060 -2.1942 -2.1740 4.1124 4.1139 7.4091 7.4103 8.2558 8.2796 8.8831 8.8898 10.1016 10.1147 10.4819 10.4952 11.3556 11.4085 11.6806 11.7257 12.2665 12.3635 14.2556 14.2752 14.6247 14.6412 15.1654 15.2076 16.7205 16.7909 k = 0.1631 0.2179-0.0000 ( 1721 PWs) bands (ev): -29.3701 -29.3701 -10.3865 -10.3694 -9.0181 -8.9787 -8.9190 -8.9070 -2.1709 -2.1496 4.0869 4.0894 7.4350 7.4358 8.2488 8.2736 8.8469 8.8538 10.0774 10.0909 10.4914 10.5041 11.3491 11.4013 11.7213 11.7655 12.2485 12.3454 14.2937 14.3129 14.5596 14.5776 15.2007 15.2413 16.7052 16.7758 k = 0.1702 0.2274-0.0000 ( 1719 PWs) bands (ev): -29.3695 -29.3695 -10.3899 -10.3722 -9.0251 -8.9844 -8.9203 -8.9079 -2.1474 -2.1249 4.0638 4.0674 7.4564 7.4568 8.2383 8.2641 8.8107 8.8178 10.0561 10.0695 10.5054 10.5179 11.3419 11.3936 11.7636 11.8072 12.2294 12.3262 14.3332 14.3518 14.4919 14.5113 15.2331 15.2720 16.6881 16.7593 k = 0.1773 0.2369-0.0000 ( 1719 PWs) bands (ev): -29.3689 -29.3689 -10.3933 -10.3751 -9.0321 -8.9901 -8.9216 -8.9088 -2.1237 -2.1001 4.0431 4.0479 7.4728 7.4728 8.2245 8.2513 8.7746 8.7819 10.0395 10.0525 10.5220 10.5346 11.3343 11.3855 11.8073 11.8505 12.2091 12.3056 14.3739 14.3918 14.4225 14.4428 15.2624 15.2995 16.6690 16.7409 k = 0.1844 0.2464-0.0000 ( 1719 PWs) bands (ev): -29.3683 -29.3683 -10.3968 -10.3781 -9.0391 -8.9959 -8.9229 -8.9098 -2.1001 -2.0753 4.0251 4.0311 7.4831 7.4835 8.2081 8.2358 8.7388 8.7463 10.0286 10.0410 10.5402 10.5532 11.3260 11.3770 11.8524 11.8955 12.1873 12.2836 14.3513 14.3727 14.4161 14.4336 15.2887 15.3240 16.6476 16.7202 k = 0.1915 0.2558-0.0000 ( 1721 PWs) bands (ev): -29.3677 -29.3676 -10.4003 -10.3810 -9.0460 -9.0018 -8.9241 -8.9107 -2.0764 -2.0505 4.0098 4.0170 7.4873 7.4879 8.1897 8.2182 8.7034 8.7111 10.0238 10.0355 10.5592 10.5728 11.3171 11.3678 11.8988 11.9419 12.1639 12.2599 14.2800 14.3020 14.4593 14.4761 15.3119 15.3453 16.6239 16.6970 k = 0.1986 0.2653-0.0000 ( 1729 PWs) bands (ev): -29.3670 -29.3670 -10.4038 -10.3841 -9.0530 -9.0077 -8.9252 -8.9115 -2.0530 -2.0259 3.9973 4.0058 7.4847 7.4853 8.1704 8.1994 8.6684 8.6762 10.0251 10.0362 10.5785 10.5927 11.3074 11.3579 11.9462 11.9896 12.1388 12.2343 14.2086 14.2310 14.5037 14.5198 15.3322 15.3637 16.5980 16.6714 k = 0.2057 0.2748-0.0000 ( 1733 PWs) bands (ev): -29.3664 -29.3664 -10.4073 -10.3871 -9.0598 -9.0136 -8.9263 -8.9124 -2.0297 -2.0015 3.9876 3.9974 7.4747 7.4753 8.1512 8.1806 8.6341 8.6420 10.0323 10.0426 10.5978 10.6127 11.2969 11.3472 11.9949 12.0386 12.1117 12.2068 14.1379 14.1604 14.5493 14.5645 15.3494 15.3792 16.5701 16.6436 k = 0.2128 0.2843-0.0000 ( 1733 PWs) bands (ev): -29.3658 -29.3658 -10.4107 -10.3901 -9.0666 -9.0196 -8.9273 -8.9132 -2.0067 -1.9775 3.9810 3.9920 7.4570 7.4574 8.1330 8.1625 8.6004 8.6084 10.0449 10.0547 10.6168 10.6324 11.2854 11.3355 12.0439 12.0833 12.0889 12.1773 14.0682 14.0907 14.5959 14.6103 15.3639 15.3920 16.5406 16.6140 k = 0.2198 0.2937-0.0000 ( 1733 PWs) bands (ev): -29.3652 -29.3651 -10.4141 -10.3932 -9.0733 -9.0255 -8.9283 -8.9140 -1.9841 -1.9538 3.9773 3.9897 7.4315 7.4316 8.1166 8.1459 8.5675 8.5756 10.0623 10.0716 10.6352 10.6515 11.2729 11.3227 12.0496 12.0968 12.1391 12.1466 14.0003 14.0224 14.6434 14.6569 15.3757 15.4023 16.5102 16.5831 k = 0.2269 0.3032-0.0000 ( 1737 PWs) bands (ev): -29.3645 -29.3645 -10.4175 -10.3963 -9.0799 -9.0315 -8.9291 -8.9147 -1.9619 -1.9306 3.9767 3.9904 7.3979 7.3986 8.1025 8.1312 8.5354 8.5435 10.0837 10.0927 10.6530 10.6700 11.2593 11.3087 12.0165 12.1112 12.1476 12.1925 13.9346 13.9560 14.6916 14.7042 15.3852 15.4105 16.4793 16.5515 k = 0.2340 0.3127-0.0000 ( 1737 PWs) bands (ev): -29.3639 -29.3639 -10.4208 -10.3993 -9.0864 -9.0374 -8.9299 -8.9155 -1.9401 -1.9079 3.9792 3.9942 7.3571 7.3586 8.0906 8.1186 8.5042 8.5124 10.1085 10.1173 10.6703 10.6879 11.2443 11.2933 11.9806 12.0749 12.1994 12.2453 13.8717 13.8921 14.7403 14.7519 15.3926 15.4170 16.4488 16.5200 k = 0.2411 0.3222-0.0000 ( 1733 PWs) bands (ev): -29.3633 -29.3633 -10.4241 -10.4023 -9.0928 -9.0433 -8.9306 -8.9161 -1.9189 -1.8858 3.9849 4.0012 7.3099 7.3123 8.0807 8.1079 8.4740 8.4823 10.1359 10.1447 10.6869 10.7051 11.2280 11.2766 11.9422 12.0362 12.2516 12.2986 13.8121 13.8313 14.7892 14.7997 15.3986 15.4222 16.4191 16.4890 k = 0.2482 0.3316-0.0000 ( 1725 PWs) bands (ev): -29.3627 -29.3626 -10.4273 -10.4053 -9.0989 -9.0492 -8.9313 -8.9167 -1.8983 -1.8644 3.9937 4.0113 7.2574 7.2606 8.0724 8.0987 8.4449 8.4532 10.1651 10.1742 10.7030 10.7217 11.2102 11.2582 11.9015 11.9954 12.3038 12.3522 13.7564 13.7740 14.8377 14.8471 15.4036 15.4268 16.3907 16.4592 k = 0.2553 0.3411-0.0000 ( 1721 PWs) bands (ev): -29.3620 -29.3620 -10.4304 -10.4083 -9.1050 -9.0550 -8.9318 -8.9173 -1.8784 -1.8436 4.0057 4.0246 7.2005 7.2045 8.0653 8.0906 8.4168 8.4252 10.1952 10.2049 10.7187 10.7378 11.1908 11.2381 11.8586 11.9524 12.3557 12.4055 13.7051 13.7209 14.8853 14.8936 15.4084 15.4316 16.3641 16.4309 k = 0.2624 0.3506-0.0000 ( 1717 PWs) bands (ev): -29.3614 -29.3614 -10.4335 -10.4113 -9.1108 -9.0607 -8.9323 -8.9178 -1.8591 -1.8237 4.0209 4.0410 7.1401 7.1449 8.0588 8.0831 8.3899 8.3983 10.2256 10.2361 10.7342 10.7537 11.1697 11.2162 11.8136 11.9074 12.4068 12.4582 13.6590 13.6726 14.9311 14.9381 15.4142 15.4376 16.3396 16.4045 k = 0.2695 0.3601-0.0000 ( 1717 PWs) bands (ev): -29.3608 -29.3608 -10.4365 -10.4142 -9.1165 -9.0664 -8.9326 -8.9182 -1.8405 -1.8045 4.0392 4.0605 7.0770 7.0825 8.0524 8.0757 8.3641 8.3725 10.2555 10.2669 10.7499 10.7697 11.1468 11.1924 11.7666 11.8607 12.4564 12.5096 13.6188 13.6299 14.9740 14.9799 15.4220 15.4457 16.3174 16.3804 k = 0.2766 0.3695-0.0000 ( 1713 PWs) bands (ev): -29.3602 -29.3602 -10.4394 -10.4171 -9.1220 -9.0720 -8.9329 -8.9186 -1.8227 -1.7862 4.0607 4.0831 7.0122 7.0182 8.0457 8.0680 8.3396 8.3480 10.2840 10.2967 10.7660 10.7862 11.1222 11.1667 11.7179 11.8124 12.5040 12.5591 13.5853 13.5936 15.0127 15.0177 15.4332 15.4574 16.2977 16.3586 k = 0.2837 0.3790-0.0000 ( 1713 PWs) bands (ev): -29.3596 -29.3596 -10.4422 -10.4199 -9.1273 -9.0775 -8.9331 -8.9190 -1.8057 -1.7687 4.0853 4.1088 6.9460 6.9525 8.0383 8.0597 8.3163 8.3247 10.3102 10.3245 10.7829 10.8037 11.0959 11.1391 11.6678 11.7631 12.5488 12.6058 13.5592 13.5646 15.0461 15.0504 15.4493 15.4737 16.2806 16.3393 k = 0.2908 0.3885-0.0000 ( 1711 PWs) bands (ev): -29.3591 -29.3590 -10.4450 -10.4227 -9.1324 -9.0829 -8.9332 -8.9193 -1.7894 -1.7521 4.1129 4.1374 6.8793 6.8861 8.0301 8.0504 8.2942 8.3027 10.3336 10.3494 10.8008 10.8226 11.0681 11.1098 11.6165 11.7129 12.5901 12.6487 13.5415 13.5439 15.0729 15.0772 15.4713 15.4955 16.2662 16.3228 k = 0.2979 0.3980-0.0000 ( 1713 PWs) bands (ev): -29.3585 -29.3585 -10.4476 -10.4255 -9.1373 -9.0882 -8.9333 -8.9195 -1.7739 -1.7363 4.1435 4.1690 6.8123 6.8194 8.0204 8.0398 8.2735 8.2819 10.3535 10.3709 10.8196 10.8431 11.0388 11.0788 11.5646 11.6625 12.6269 12.6870 13.5326 13.5330 15.0929 15.0976 15.4994 15.5228 16.2545 16.3091 k = 0.3049 0.4074-0.0000 ( 1709 PWs) bands (ev): -29.3579 -29.3579 -10.4501 -10.4282 -9.1420 -9.0934 -8.9332 -8.9197 -1.7592 -1.7215 4.1771 4.2035 6.7455 6.7529 8.0094 8.0278 8.2541 8.2624 10.3695 10.3883 10.8390 10.8654 11.0089 11.0464 11.5124 11.6125 12.6587 12.7197 13.5315 13.5343 15.1066 15.1122 15.5330 15.5552 16.2459 16.2985 k = 0.3120 0.4169-0.0000 ( 1705 PWs) bands (ev): -29.3574 -29.3574 -10.4525 -10.4309 -9.1464 -9.0985 -8.9331 -8.9199 -1.7453 -1.7076 4.2135 4.2408 6.6794 6.6868 7.9967 8.0141 8.2359 8.2442 10.3813 10.4013 10.8573 10.8888 10.9793 11.0134 11.4606 11.5637 12.6849 12.7460 13.5412 13.5457 15.1149 15.1218 15.5707 15.5913 16.2405 16.2913 k = 0.3191 0.4264-0.0000 ( 1703 PWs) bands (ev): -29.3569 -29.3569 -10.4548 -10.4335 -9.1506 -9.1034 -8.9329 -8.9200 -1.7322 -1.6946 4.2527 4.2807 6.6140 6.6215 7.9820 7.9984 8.2191 8.2273 10.3891 10.4098 10.8697 10.9100 10.9545 10.9825 11.4100 11.5169 12.7056 12.7659 13.5617 13.5671 15.1191 15.1276 15.6107 15.6294 16.2387 16.2879 k = 0.3262 0.4359-0.0000 ( 1705 PWs) bands (ev): -29.3564 -29.3563 -10.4571 -10.4360 -9.1546 -9.1083 -8.9326 -8.9200 -1.7199 -1.6825 4.2945 4.3232 6.5498 6.5573 7.9653 7.9806 8.2035 8.2117 10.3928 10.4140 10.8652 10.9135 10.9442 10.9683 11.3619 11.4737 12.7210 12.7797 13.5925 13.5981 15.1205 15.1305 15.6511 15.6678 16.2409 16.2887 k = 0.3333 0.4453-0.0000 ( 1705 PWs) bands (ev): -29.3559 -29.3559 -10.4592 -10.4385 -9.1583 -9.1130 -8.9322 -8.9200 -1.7083 -1.6713 4.3389 4.3682 6.4870 6.4944 7.9465 7.9607 8.1892 8.1973 10.3932 10.4142 10.8408 10.8866 10.9497 10.9817 11.3183 11.4356 12.7318 12.7883 13.6326 13.6378 15.1201 15.1316 15.6903 15.7048 16.2477 16.2943 k = 0.3404 0.4548-0.0000 ( 1705 PWs) bands (ev): -29.3554 -29.3554 -10.4612 -10.4409 -9.1618 -9.1176 -8.9318 -8.9200 -1.6974 -1.6609 4.3857 4.4155 6.4257 6.4330 7.9254 7.9385 8.1762 8.1841 10.3904 10.4110 10.8074 10.8501 10.9581 10.9984 11.2827 11.4050 12.7388 12.7925 13.6808 13.6851 15.1187 15.1315 15.7265 15.7388 16.2596 16.3052 k = 0.3475 0.4643-0.0000 ( 1709 PWs) bands (ev): -29.3549 -29.3549 -10.4630 -10.4433 -9.1651 -9.1221 -8.9314 -8.9200 -1.6873 -1.6514 4.4347 4.4649 6.3661 6.3733 7.9019 7.9139 8.1644 8.1722 10.3850 10.4048 10.7705 10.8110 10.9615 11.0061 11.2604 11.3842 12.7428 12.7934 13.7358 13.7390 15.1168 15.1309 15.7585 15.7687 16.2769 16.3217 k = 0.3546 0.4738-0.0000 ( 1709 PWs) bands (ev): -29.3545 -29.3545 -10.4648 -10.4456 -9.1682 -9.1264 -8.9308 -8.9199 -1.6779 -1.6426 4.4858 4.5164 6.3084 6.3154 7.8760 7.8868 8.1538 8.1614 10.3776 10.3961 10.7320 10.7709 10.9563 10.9985 11.2562 11.3750 12.7447 12.7921 13.7963 13.7982 15.1149 15.1302 15.7855 15.7936 16.2999 16.3438 k = 0.3617 0.4832-0.0000 ( 1701 PWs) bands (ev): -29.3541 -29.3541 -10.4664 -10.4479 -9.1710 -9.1306 -8.9303 -8.9197 -1.6691 -1.6347 4.5389 4.5697 6.2528 6.2595 7.8478 7.8574 8.1444 8.1518 10.3685 10.3855 10.6928 10.7305 10.9415 10.9758 11.2696 11.3778 12.7451 12.7893 13.8612 13.8618 15.1133 15.1298 15.8072 15.8133 16.3281 16.3711 k = 0.3688 0.4927-0.0000 ( 1701 PWs) bands (ev): -29.3537 -29.3537 -10.4680 -10.4500 -9.1735 -9.1346 -8.9297 -8.9196 -1.6610 -1.6275 4.5937 4.6246 6.1993 6.2056 7.8171 7.8255 8.1361 8.1433 10.3583 10.3735 10.6533 10.6899 10.9182 10.9430 11.2949 11.3908 12.7446 12.7855 13.9290 13.9296 15.1122 15.1296 15.8236 15.8279 16.3608 16.4029 k = 0.3759 0.5022-0.0000 ( 1701 PWs) bands (ev): -29.3533 -29.3533 -10.4694 -10.4521 -9.1759 -9.1385 -8.9290 -8.9194 -1.6535 -1.6211 4.6500 4.6809 6.1481 6.1541 7.7841 7.7913 8.1288 8.1358 10.3473 10.3605 10.6139 10.6496 10.8886 10.9050 11.3269 11.4114 12.7435 12.7813 13.9989 14.0007 15.1118 15.1301 15.8354 15.8381 16.3969 16.4381 k = 0.3830 0.5117-0.0000 ( 1701 PWs) bands (ev): -29.3529 -29.3529 -10.4707 -10.4542 -9.1780 -9.1423 -8.9284 -8.9192 -1.6466 -1.6153 4.7075 4.7384 6.0992 6.1048 7.7488 7.7548 8.1226 8.1294 10.3359 10.3469 10.5749 10.6100 10.8550 10.8647 11.3625 11.4373 12.7421 12.7770 14.0709 14.0737 15.1122 15.1311 15.8432 15.8444 16.4352 16.4753 k = 0.3900 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3526 -29.3526 -10.4719 -10.4561 -9.1799 -9.1459 -8.9277 -8.9191 -1.6402 -1.6102 4.7661 4.7968 6.0529 6.0580 7.7115 7.7162 8.1174 8.1239 10.3246 10.3332 10.5367 10.5712 10.8191 10.8240 11.3998 11.4665 12.7407 12.7727 14.1444 14.1480 15.1133 15.1328 15.8476 15.8478 16.4746 16.5136 k = 0.3900 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3526 -29.3526 -10.4719 -10.4561 -9.1799 -9.1459 -8.9277 -8.9191 -1.6402 -1.6102 4.7661 4.7968 6.0529 6.0580 7.7115 7.7162 8.1174 8.1239 10.3246 10.3332 10.5367 10.5712 10.8191 10.8240 11.3998 11.4665 12.7407 12.7727 14.1444 14.1480 15.1133 15.1328 15.8476 15.8478 16.4746 16.5136 k = 0.3782 0.5211-0.0000 ( 1703 PWs) bands (ev): -29.3528 -29.3528 -10.4711 -10.4549 -9.1787 -9.1437 -8.9280 -8.9191 -1.6442 -1.6135 4.7294 4.7602 6.0820 6.0875 7.7348 7.7403 8.1210 8.1276 10.3315 10.3416 10.5598 10.5946 10.8405 10.8482 11.3777 11.4491 12.7395 12.7732 14.1020 14.1052 15.1118 15.1311 15.8377 15.8386 16.4577 16.4970 k = 0.3664 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3530 -29.3530 -10.4702 -10.4536 -9.1772 -9.1413 -8.9283 -8.9191 -1.6490 -1.6177 4.6902 4.7209 6.1155 6.1212 7.7587 7.7650 8.1260 8.1328 10.3387 10.3502 10.5839 10.6192 10.8608 10.8718 11.3571 11.4340 12.7340 12.7694 14.0640 14.0666 15.1091 15.1284 15.8109 15.8134 16.4556 16.4943 k = 0.3546 0.5211-0.0000 ( 1700 PWs) bands (ev): -29.3533 -29.3533 -10.4692 -10.4522 -9.1754 -9.1388 -8.9285 -8.9191 -1.6545 -1.6226 4.6488 4.6793 6.1532 6.1592 7.7829 7.7900 8.1324 8.1393 10.3459 10.3588 10.6089 10.6446 10.8789 10.8939 11.3391 11.4219 12.7239 12.7610 14.0309 14.0330 15.1045 15.1241 15.7692 15.7736 16.4680 16.5057 k = 0.3428 0.5211-0.0000 ( 1704 PWs) bands (ev): -29.3536 -29.3536 -10.4680 -10.4508 -9.1734 -9.1361 -8.9285 -8.9189 -1.6606 -1.6283 4.6056 4.6358 6.1950 6.2013 7.8070 7.8150 8.1401 8.1471 10.3527 10.3669 10.6346 10.6708 10.8941 10.9134 11.3249 11.4140 12.7088 12.7475 14.0033 14.0050 15.0973 15.1176 15.7165 15.7227 16.4925 16.5291 k = 0.3309 0.5211-0.0000 ( 1702 PWs) bands (ev): -29.3539 -29.3539 -10.4667 -10.4493 -9.1712 -9.1334 -8.9283 -8.9187 -1.6673 -1.6346 4.5609 4.5907 6.2407 6.2471 7.8310 7.8398 8.1491 8.1563 10.3590 10.3743 10.6608 10.6977 10.9054 10.9289 11.3163 11.4116 12.6888 12.7290 13.9816 13.9830 15.0865 15.1079 15.6579 15.6653 16.5259 16.5616 k = 0.3191 0.5211-0.0000 ( 1704 PWs) bands (ev): -29.3543 -29.3543 -10.4654 -10.4477 -9.1688 -9.1307 -8.9280 -8.9183 -1.6745 -1.6415 4.5152 4.5445 6.2899 6.2964 7.8546 7.8643 8.1593 8.1666 10.3642 10.3806 10.6873 10.7251 10.9121 10.9388 11.3150 11.4156 12.6638 12.7055 13.9661 13.9673 15.0705 15.0934 15.5981 15.6062 16.5657 16.6007 k = 0.3073 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3546 -29.3546 -10.4639 -10.4462 -9.1662 -9.1279 -8.9275 -8.9178 -1.6821 -1.6490 4.4687 4.4976 6.3423 6.3490 7.8778 7.8884 8.1707 8.1781 10.3680 10.3852 10.7139 10.7528 10.9138 10.9422 11.3224 11.4266 12.6343 12.6772 13.9569 13.9581 15.0473 15.0722 15.5418 15.5499 16.6097 16.6442 k = 0.2955 0.5211-0.0000 ( 1697 PWs) bands (ev): -29.3550 -29.3550 -10.4623 -10.4446 -9.1635 -9.1251 -8.9268 -8.9171 -1.6901 -1.6569 4.4220 4.4502 6.3977 6.4044 7.9007 7.9120 8.1832 8.1907 10.3699 10.3878 10.7401 10.7805 10.9109 10.9390 11.3388 11.4448 12.6003 12.6444 13.9539 13.9551 15.0149 15.0420 15.4929 15.5005 16.6564 16.6908 k = 0.2837 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3554 -29.3554 -10.4607 -10.4430 -9.1606 -9.1224 -8.9259 -8.9163 -1.6983 -1.6653 4.3752 4.4028 6.4556 6.4623 7.9230 7.9352 8.1967 8.2042 10.3696 10.3878 10.7653 10.8076 10.9046 10.9306 11.3634 11.4697 12.5624 12.6076 13.9568 13.9582 14.9718 15.0013 15.4541 15.4611 16.7047 16.7391 k = 0.2718 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3558 -29.3558 -10.4591 -10.4415 -9.1577 -9.1198 -8.9248 -8.9154 -1.7068 -1.6740 4.3287 4.3555 6.5158 6.5224 7.9450 7.9579 8.2112 8.2188 10.3664 10.3848 10.7881 10.8330 10.8970 10.9196 11.3950 11.5006 12.5214 12.5675 13.9653 13.9671 14.9184 14.9501 15.4264 15.4329 16.7537 16.7884 k = 0.2600 0.5211-0.0000 ( 1703 PWs) bands (ev): -29.3562 -29.3562 -10.4574 -10.4400 -9.1547 -9.1173 -8.9234 -8.9143 -1.7155 -1.6830 4.2827 4.3088 6.5778 6.5843 7.9667 7.9803 8.2265 8.2341 10.3598 10.3781 10.8057 10.8526 10.8921 10.9116 11.4322 11.5364 12.4776 12.5246 13.9791 13.9813 14.8562 14.8897 15.4089 15.4153 16.8030 16.8380 k = 0.2482 0.5211-0.0000 ( 1702 PWs) bands (ev): -29.3567 -29.3566 -10.4557 -10.4385 -9.1516 -9.1150 -8.9218 -8.9130 -1.7243 -1.6922 4.2374 4.2627 6.6413 6.6476 7.9883 8.0026 8.2425 8.2502 10.3495 10.3673 10.8135 10.8570 10.8956 10.9174 11.4736 11.5763 12.4320 12.4799 13.9978 14.0004 14.7876 14.8226 15.4001 15.4065 16.8518 16.8873 k = 0.2364 0.5211-0.0000 ( 1699 PWs) bands (ev): -29.3571 -29.3571 -10.4540 -10.4371 -9.1486 -9.1129 -8.9199 -8.9116 -1.7331 -1.7016 4.1932 4.2176 6.7059 6.7119 8.0099 8.0248 8.2593 8.2669 10.3348 10.3519 10.8105 10.8474 10.9092 10.9370 11.5182 11.6193 12.3851 12.4338 14.0210 14.0241 14.7150 14.7513 15.3980 15.4048 16.8999 16.9360 k = 0.2246 0.5211-0.0000 ( 1703 PWs) bands (ev): -29.3575 -29.3575 -10.4523 -10.4357 -9.1456 -9.1109 -8.9179 -8.9100 -1.7418 -1.7110 4.1501 4.1737 6.7711 6.7767 8.0317 8.0471 8.2766 8.2842 10.3155 10.3316 10.8015 10.8337 10.9288 10.9609 11.5651 11.6646 12.3375 12.3868 14.0483 14.0518 14.6402 14.6776 15.4012 15.4085 16.9469 16.9836 k = 0.2128 0.5211-0.0000 ( 1705 PWs) bands (ev): -29.3579 -29.3579 -10.4506 -10.4345 -9.1427 -9.1091 -8.9156 -8.9083 -1.7505 -1.7205 4.1085 4.1310 6.8364 6.8417 8.0540 8.0699 8.2943 8.3019 10.2913 10.3064 10.7909 10.8200 10.9505 10.9856 11.6136 11.7116 12.2899 12.3398 14.0792 14.0832 14.5649 14.6033 15.4085 15.4165 16.9925 17.0299 k = 0.2009 0.5211-0.0000 ( 1710 PWs) bands (ev): -29.3583 -29.3583 -10.4489 -10.4333 -9.1398 -9.1076 -8.9132 -8.9064 -1.7590 -1.7300 4.0683 4.0899 6.9014 6.9062 8.0770 8.0934 8.3124 8.3199 10.2623 10.2762 10.7805 10.8075 10.9726 11.0098 11.6631 11.7594 12.2426 12.2931 14.1135 14.1180 14.4900 14.5292 15.4193 15.4278 17.0363 17.0746 k = 0.1891 0.5211-0.0000 ( 1708 PWs) bands (ev): -29.3587 -29.3587 -10.4472 -10.4322 -9.1370 -9.1063 -8.9106 -8.9044 -1.7673 -1.7393 4.0298 4.0504 6.9655 6.9699 8.1011 8.1178 8.3306 8.3380 10.2288 10.2413 10.7714 10.7967 10.9943 11.0331 11.7132 11.8077 12.1964 12.2473 14.1508 14.1556 14.4166 14.4564 15.4330 15.4421 17.0783 17.1174 k = 0.1773 0.5211-0.0000 ( 1708 PWs) bands (ev): -29.3591 -29.3591 -10.4456 -10.4312 -9.1343 -9.1051 -8.9079 -8.9023 -1.7754 -1.7485 3.9931 4.0126 7.0283 7.0321 8.1266 8.1435 8.3489 8.3561 10.1910 10.2022 10.7637 10.7876 11.0152 11.0551 11.7632 11.8556 12.1516 12.2029 14.1905 14.1954 14.3456 14.3856 15.4490 15.4587 17.1182 17.1581 k = 0.1655 0.5211-0.0000 ( 1709 PWs) bands (ev): -29.3595 -29.3595 -10.4440 -10.4302 -9.1317 -9.1042 -8.9051 -8.9001 -1.7831 -1.7575 3.9584 3.9767 7.0890 7.0922 8.1536 8.1707 8.3671 8.3742 10.1494 10.1593 10.7573 10.7801 11.0347 11.0755 11.8128 11.9028 12.1086 12.1602 14.2319 14.2342 14.2803 14.3179 15.4670 15.4772 17.1558 17.1965 k = 0.1537 0.5211-0.0000 ( 1711 PWs) bands (ev): -29.3599 -29.3599 -10.4424 -10.4294 -9.1292 -9.1035 -8.9022 -8.8978 -1.7904 -1.7662 3.9256 3.9429 7.1471 7.1498 8.1826 8.1997 8.3850 8.3919 10.1045 10.1132 10.7523 10.7739 11.0530 11.0942 11.8615 11.9484 12.0681 12.1199 14.2059 14.2454 14.2826 14.2871 15.4866 15.4973 17.1911 17.2324 k = 0.1418 0.5211-0.0000 ( 1717 PWs) bands (ev): -29.3602 -29.3602 -10.4409 -10.4287 -9.1269 -9.1030 -8.8994 -8.8956 -1.7974 -1.7745 3.8950 3.9111 7.2021 7.2043 8.2137 8.2307 8.4025 8.4092 10.0569 10.0644 10.7483 10.7687 11.0697 11.1109 11.9089 11.9909 12.0302 12.0832 14.1447 14.1859 14.3249 14.3315 15.5076 15.5186 17.2239 17.2656 k = 0.1300 0.5211-0.0000 ( 1722 PWs) bands (ev): -29.3606 -29.3606 -10.4395 -10.4281 -9.1246 -9.1027 -8.8966 -8.8933 -1.8038 -1.7825 3.8666 3.8814 7.2533 7.2551 8.2471 8.2639 8.4195 8.4259 10.0071 10.0136 10.7454 10.7645 11.0848 11.1256 11.9540 11.9961 12.0207 12.0599 14.0859 14.1267 14.3712 14.3780 15.5295 15.5408 17.2542 17.2960 k = 0.1182 0.5211-0.0000 ( 1722 PWs) bands (ev): -29.3609 -29.3609 -10.4381 -10.4276 -9.1226 -9.1026 -8.8939 -8.8911 -1.8097 -1.7901 3.8405 3.8541 7.3005 7.3019 8.2829 8.2993 8.4357 8.4419 9.9560 9.9613 10.7431 10.7609 11.0983 11.1381 11.9616 12.0007 12.0042 12.0830 14.0311 14.0709 14.4184 14.4252 15.5521 15.5635 17.2817 17.3227 k = 0.1064 0.5211-0.0000 ( 1724 PWs) bands (ev): -29.3612 -29.3612 -10.4368 -10.4272 -9.1206 -9.1026 -8.8913 -8.8889 -1.8151 -1.7972 3.8167 3.8290 7.3432 7.3442 8.3207 8.3365 8.4510 8.4570 9.9040 9.9084 10.7416 10.7579 11.1101 11.1484 11.9343 11.9761 12.0416 12.1177 13.9805 14.0189 14.4655 14.4723 15.5749 15.5861 17.3047 17.3360 k = 0.0946 0.5211-0.0000 ( 1722 PWs) bands (ev): -29.3614 -29.3614 -10.4355 -10.4269 -9.1187 -9.1027 -8.8889 -8.8869 -1.8199 -1.8038 3.7954 3.8064 7.3812 7.3819 8.3601 8.3753 8.4653 8.4711 9.8521 9.8556 10.7405 10.7554 11.1204 11.1565 11.9097 11.9495 12.0806 12.1507 13.9346 13.9711 14.5118 14.5184 15.5975 15.6084 17.2566 17.2674 k = 0.0827 0.5211-0.0000 ( 1724 PWs) bands (ev): -29.3617 -29.3617 -10.4343 -10.4267 -9.1170 -9.1030 -8.8866 -8.8850 -1.8241 -1.8098 3.7765 3.7862 7.4143 7.4148 8.4004 8.4148 8.4784 8.4840 9.8010 9.8036 10.7399 10.7531 11.1292 11.1625 11.8888 11.9254 12.1168 12.1804 13.8937 13.9276 14.5564 14.5627 15.6193 15.6296 17.1759 17.1861 k = 0.0709 0.5211-0.0000 ( 1720 PWs) bands (ev): -29.3619 -29.3619 -10.4332 -10.4267 -9.1154 -9.1034 -8.8846 -8.8833 -1.8276 -1.8153 3.7602 3.7685 7.4426 7.4430 8.4404 8.4542 8.4902 8.4959 9.7518 9.7537 10.7396 10.7512 11.1368 11.1666 11.8714 11.9042 12.1499 12.2063 13.8581 13.8888 14.5984 14.6043 15.6400 15.6494 17.1019 17.1111 k = 0.0591 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3620 -29.3620 -10.4322 -10.4267 -9.1139 -9.1039 -8.8828 -8.8818 -1.8305 -1.8201 3.7464 3.7534 7.4662 7.4664 8.4777 8.4915 8.5011 8.5077 9.7058 9.7070 10.7396 10.7493 11.1432 11.1690 11.8577 11.8860 12.1794 12.2279 13.8279 13.8548 14.6369 14.6421 15.6588 15.6672 17.0363 17.0443 k = 0.0473 0.5211-0.0000 ( 1720 PWs) bands (ev): -29.3622 -29.3622 -10.4312 -10.4268 -9.1125 -9.1045 -8.8813 -8.8806 -1.8327 -1.8243 3.7352 3.7408 7.4851 7.4853 8.5045 8.5084 8.5255 8.5276 9.6643 9.6650 10.7398 10.7477 11.1487 11.1699 11.8472 11.8706 12.2050 12.2449 13.8036 13.8260 14.6705 14.6750 15.6753 15.6824 16.9805 16.9871 k = 0.0355 0.5211-0.0000 ( 1718 PWs) bands (ev): -29.3623 -29.3623 -10.4304 -10.4270 -9.1112 -9.1052 -8.8801 -8.8796 -1.8341 -1.8278 3.7266 3.7309 7.4997 7.4998 8.5153 8.5155 8.5527 8.5573 9.6293 9.6296 10.7402 10.7462 11.1533 11.1697 11.8401 11.8580 12.2265 12.2571 13.7852 13.8025 14.6984 14.7019 15.6890 15.6945 16.9357 16.9408 k = 0.0236 0.5211-0.0000 ( 1716 PWs) bands (ev): -29.3624 -29.3624 -10.4296 -10.4273 -9.1100 -9.1060 -8.8792 -8.8789 -1.8349 -1.8307 3.7207 3.7235 7.5099 7.5100 8.5206 8.5209 8.5766 8.5802 9.6024 9.6025 10.7408 10.7448 11.1574 11.1685 11.8361 11.8482 12.2437 12.2644 13.7729 13.7847 14.7194 14.7218 15.6995 15.7033 16.9030 16.9065 k = 0.0118 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3624 -29.3624 -10.4289 -10.4278 -9.1088 -9.1068 -8.8787 -8.8785 -1.8349 -1.8328 3.7174 3.7188 7.5160 7.5160 8.5237 8.5240 8.5925 8.5945 9.5853 9.5853 10.7416 10.7436 11.1610 11.1666 11.8350 11.8411 12.2562 12.2667 13.7667 13.7727 14.7326 14.7339 15.7063 15.7082 16.8834 16.8852 k = 0.0000 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3625 -29.3625 -10.4283 -10.4283 -9.1078 -9.1078 -8.8784 -8.8784 -1.8342 -1.8342 3.7168 3.7168 7.5180 7.5180 8.5249 8.5249 8.5987 8.5987 9.5795 9.5795 10.7425 10.7425 11.1640 11.1640 11.8367 11.8367 12.2639 12.2639 13.7667 13.7667 14.7375 14.7375 15.7092 15.7092 16.8774 16.8774 k = 0.0000 0.5211-0.0000 ( 1714 PWs) bands (ev): -29.3625 -29.3625 -10.4283 -10.4283 -9.1078 -9.1078 -8.8784 -8.8784 -1.8342 -1.8342 3.7168 3.7168 7.5180 7.5180 8.5249 8.5249 8.5987 8.5987 9.5795 9.5795 10.7425 10.7425 11.1640 11.1640 11.8367 11.8367 12.2639 12.2639 13.7667 13.7667 14.7375 14.7375 15.7092 15.7092 16.8774 16.8774 k = 0.0000 0.5211 0.0118 ( 1714 PWs) bands (ev): -29.3624 -29.3624 -10.4288 -10.4278 -9.1085 -9.1070 -8.8792 -8.8783 -1.8352 -1.8330 3.7163 3.7187 7.5177 7.5183 8.5195 8.5222 8.6003 8.6028 9.5784 9.5796 10.7407 10.7446 11.1612 11.1672 11.8314 11.8395 12.2620 12.2673 13.7636 13.7674 14.7358 14.7406 15.7088 15.7109 16.8769 16.8804 k = 0.0000 0.5211 0.0236 ( 1710 PWs) bands (ev): -29.3623 -29.3623 -10.4296 -10.4274 -9.1093 -9.1062 -8.8807 -8.8787 -1.8360 -1.8316 3.7170 3.7218 7.5173 7.5185 8.5078 8.5124 8.6067 8.6108 9.5764 9.5788 10.7392 10.7469 11.1588 11.1709 11.8240 11.8400 12.2615 12.2720 13.7582 13.7658 14.7356 14.7451 15.7097 15.7138 16.8788 16.8859 k = 0.0000 0.5211 0.0355 ( 1712 PWs) bands (ev): -29.3621 -29.3621 -10.4304 -10.4272 -9.1100 -9.1054 -8.8827 -8.8798 -1.8366 -1.8301 3.7191 3.7263 7.5168 7.5185 8.4919 8.4980 8.6155 8.6205 9.5736 9.5772 10.7379 10.7494 11.1567 11.1750 11.8145 11.8380 12.2625 12.2778 13.7505 13.7617 14.7371 14.7510 15.7118 15.7179 16.8831 16.8937 k = 0.0000 0.5211 0.0473 ( 1712 PWs) bands (ev): -29.3619 -29.3619 -10.4313 -10.4272 -9.1108 -9.1046 -8.8853 -8.8814 -1.8370 -1.8283 3.7226 3.7320 7.5162 7.5185 8.4732 8.4806 8.6251 8.6304 9.5700 9.5747 10.7368 10.7521 11.1552 11.1795 11.8031 11.8338 12.2649 12.2846 13.7407 13.7553 14.7403 14.7583 15.7150 15.7232 16.8898 16.9038 k = 0.0000 0.5211 0.0591 ( 1714 PWs) bands (ev): -29.3616 -29.3616 -10.4324 -10.4272 -9.1116 -9.1038 -8.8885 -8.8837 -1.8372 -1.8265 3.7273 3.7390 7.5156 7.5184 8.4522 8.4609 8.6346 8.6399 9.5656 9.5714 10.7357 10.7549 11.1542 11.1846 11.7901 11.8274 12.2685 12.2922 13.7286 13.7464 14.7455 14.7673 15.7193 15.7295 16.8987 16.9161 k = 0.0000 0.5211 0.0709 ( 1716 PWs) bands (ev): -29.3612 -29.3612 -10.4336 -10.4274 -9.1124 -9.1031 -8.8921 -8.8864 -1.8373 -1.8244 3.7333 3.7473 7.5149 7.5183 8.4292 8.4395 8.6436 8.6487 9.5608 9.5675 10.7349 10.7578 11.1538 11.1904 11.7756 11.8191 12.2732 12.3004 13.7144 13.7351 14.7528 14.7780 15.7245 15.7368 16.9097 16.9304 k = 0.0000 0.5211 0.0827 ( 1716 PWs) bands (ev): -29.3607 -29.3607 -10.4349 -10.4278 -9.1133 -9.1023 -8.8962 -8.8896 -1.8371 -1.8223 3.7406 3.7567 7.5142 7.5181 8.4044 8.4164 8.6517 8.6566 9.5555 9.5632 10.7342 10.7606 11.1542 11.1969 11.7599 11.8091 12.2788 12.3090 13.6983 13.7216 14.7626 14.7906 15.7306 15.7449 16.9227 16.9464 k = 0.0000 0.5211 0.0946 ( 1716 PWs) bands (ev): -29.3602 -29.3602 -10.4363 -10.4282 -9.1144 -9.1017 -8.9007 -8.8933 -1.8368 -1.8201 3.7492 3.7672 7.5135 7.5179 8.3780 8.3918 8.6589 8.6634 9.5500 9.5586 10.7332 10.7631 11.1555 11.2042 11.7433 11.7977 12.2851 12.3179 13.6802 13.7058 14.7749 14.8052 15.7375 15.7537 16.9375 16.9641 k = 0.0000 0.5211 0.1064 ( 1716 PWs) bands (ev): -29.3596 -29.3596 -10.4379 -10.4289 -9.1155 -9.1011 -8.9055 -8.8972 -1.8363 -1.8179 3.7590 3.7789 7.5129 7.5178 8.3501 8.3657 8.6649 8.6689 9.5446 9.5539 10.7322 10.7653 11.1578 11.2124 11.7260 11.7852 12.2918 12.3269 13.6602 13.6879 14.7898 14.8220 15.7451 15.7633 16.9540 16.9832 k = 0.0000 0.5211 0.1182 ( 1716 PWs) bands (ev): -29.3590 -29.3590 -10.4395 -10.4297 -9.1169 -9.1007 -8.9105 -8.9015 -1.8356 -1.8156 3.7700 3.7917 7.5123 7.5176 8.3205 8.3381 8.6696 8.6732 9.5393 9.5493 10.7311 10.7671 11.1612 11.2214 11.7082 11.7719 12.2988 12.3359 13.6386 13.6681 14.8075 14.8411 15.7534 15.7734 16.9718 17.0035 k = 0.0000 0.5211 0.1300 ( 1712 PWs) bands (ev): -29.3583 -29.3583 -10.4413 -10.4307 -9.1184 -9.1005 -8.9157 -8.9059 -1.8349 -1.8133 3.7822 3.8055 7.5117 7.5174 8.2896 8.3091 8.6729 8.6760 9.5344 9.5450 10.7298 10.7685 11.1657 11.2314 11.6901 11.7581 12.3059 12.3447 13.6153 13.6464 14.8280 14.8625 15.7624 15.7841 16.9910 17.0249 k = 0.0000 0.5211 0.1418 ( 1714 PWs) bands (ev): -29.3576 -29.3576 -10.4432 -10.4318 -9.1202 -9.1005 -8.9210 -8.9104 -1.8340 -1.8109 3.7954 3.8202 7.5112 7.5173 8.2572 8.2787 8.6747 8.6773 9.5302 9.5412 10.7283 10.7692 11.1714 11.2422 11.6720 11.7441 12.3129 12.3532 13.5905 13.6230 14.8512 14.8863 15.7720 15.7954 17.0113 17.0472 k = 0.0000 0.5211 0.1537 ( 1710 PWs) bands (ev): -29.3568 -29.3568 -10.4453 -10.4331 -9.1223 -9.1008 -8.9262 -8.9150 -1.8330 -1.8087 3.8098 3.8359 7.5109 7.5174 8.2236 8.2468 8.6748 8.6769 9.5268 9.5382 10.7266 10.7693 11.1782 11.2538 11.6543 11.7302 12.3198 12.3614 13.5643 13.5981 14.8771 14.9124 15.7824 15.8073 17.0327 17.0703 k = 0.0000 0.5211 0.1655 ( 1712 PWs) bands (ev): -29.3559 -29.3559 -10.4475 -10.4346 -9.1247 -9.1015 -8.9312 -8.9194 -1.8320 -1.8064 3.8252 3.8525 7.5106 7.5174 8.1886 8.2137 8.6731 8.6749 9.5245 9.5362 10.7246 10.7688 11.1860 11.2659 11.6371 11.7166 12.3263 12.3691 13.5368 13.5718 14.9057 14.9408 15.7936 15.8199 17.0551 17.0941 k = 0.0000 0.5211 0.1773 ( 1708 PWs) bands (ev): -29.3551 -29.3551 -10.4498 -10.4363 -9.1275 -9.1026 -8.9361 -8.9237 -1.8309 -1.8043 3.8416 3.8699 7.5105 7.5176 8.1525 8.1793 8.6696 8.6710 9.5234 9.5352 10.7226 10.7677 11.1947 11.2782 11.6211 11.7040 12.3324 12.3762 13.5083 13.5444 14.9367 14.9715 15.8056 15.8332 17.0783 17.1186 k = 0.0000 0.5211 0.1891 ( 1710 PWs) bands (ev): -29.3542 -29.3541 -10.4522 -10.4382 -9.1306 -9.1041 -8.9406 -8.9277 -1.8298 -1.8023 3.8588 3.8881 7.5106 7.5180 8.1153 8.1437 8.6643 8.6654 9.5237 9.5355 10.7203 10.7659 11.2038 11.2903 11.6067 11.6925 12.3381 12.3827 13.4786 13.5159 14.9701 15.0042 15.8184 15.8472 17.1023 17.1436 k = 0.0000 0.5211 0.2010 ( 1710 PWs) bands (ev): -29.3532 -29.3532 -10.4547 -10.4403 -9.1341 -9.1062 -8.9447 -8.9314 -1.8286 -1.8003 3.8770 3.9069 7.5107 7.5184 8.0771 8.1070 8.6571 8.6580 9.5254 9.5372 10.7180 10.7637 11.2131 11.3015 11.5945 11.6827 12.3432 12.3886 13.4481 13.4865 15.0057 15.0390 15.8322 15.8621 17.1271 17.1693 k = 0.0000 0.5211 0.2128 ( 1712 PWs) bands (ev): -29.3522 -29.3522 -10.4574 -10.4425 -9.1380 -9.1088 -8.9484 -8.9347 -1.8274 -1.7986 3.8960 3.9264 7.5110 7.5190 8.0380 8.0693 8.6483 8.6489 9.5285 9.5402 10.7156 10.7611 11.2222 11.3111 11.5853 11.6750 12.3477 12.3937 13.4168 13.4564 15.0432 15.0755 15.8470 15.8779 17.1526 17.1955 k = 0.0000 0.5211 0.2246 ( 1710 PWs) bands (ev): -29.3513 -29.3512 -10.4601 -10.4449 -9.1423 -9.1120 -8.9515 -8.9376 -1.8263 -1.7969 3.9157 3.9464 7.5115 7.5197 7.9982 8.0307 8.6378 8.6382 9.5331 9.5447 10.7133 10.7583 11.2307 11.3184 11.5800 11.6700 12.3517 12.3981 13.3848 13.4256 15.0824 15.1136 15.8629 15.8947 17.1789 17.2223 k = 0.0000 0.5211 0.2364 ( 1710 PWs) bands (ev): -29.3502 -29.3502 -10.4630 -10.4475 -9.1469 -9.1157 -8.9541 -8.9401 -1.8251 -1.7955 3.9360 3.9670 7.5121 7.5206 7.9577 7.9914 8.6258 8.6261 9.5392 9.5504 10.7112 10.7552 11.2379 11.3223 11.5793 11.6681 12.3550 12.4017 13.3522 13.3942 15.1231 15.1530 15.8799 15.9126 17.2060 17.2496 k = 0.0000 0.5211 0.2482 ( 1710 PWs) bands (ev): -29.3492 -29.3492 -10.4660 -10.4503 -9.1518 -9.1200 -8.9560 -8.9421 -1.8240 -1.7942 3.9570 3.9879 7.5127 7.5216 7.9167 7.9514 8.6125 8.6126 9.5466 9.5575 10.7091 10.7520 11.2434 11.3226 11.5837 11.6697 12.3577 12.4044 13.3191 13.3624 15.1650 15.1935 15.8981 15.9315 17.2339 17.2776 k = 0.0000 0.5211 0.2601 ( 1712 PWs) bands (ev): -29.3482 -29.3482 -10.4690 -10.4532 -9.1569 -9.1248 -8.9575 -8.9437 -1.8229 -1.7931 3.9784 4.0092 7.5135 7.5226 7.8754 7.9109 8.5979 8.5981 9.5551 9.5657 10.7073 10.7488 11.2471 11.3193 11.5930 11.6752 12.3597 12.4064 13.2855 13.3301 15.2077 15.2349 15.9174 15.9514 17.2626 17.3062 k = 0.0000 0.5211 0.2719 ( 1712 PWs) bands (ev): -29.3472 -29.3471 -10.4721 -10.4563 -9.1622 -9.1300 -8.9583 -8.9449 -1.8219 -1.7922 4.0003 4.0308 7.5142 7.5238 7.8338 7.8702 8.5824 8.5827 9.5649 9.5749 10.7057 10.7456 11.2485 11.3128 11.6068 11.6847 12.3612 12.4076 13.2516 13.2976 15.2509 15.2768 15.9379 15.9725 17.2921 17.3354 k = 0.0000 0.5211 0.2837 ( 1714 PWs) bands (ev): -29.3461 -29.3461 -10.4753 -10.4595 -9.1677 -9.1356 -8.9587 -8.9457 -1.8209 -1.7915 4.0225 4.0526 7.5149 7.5250 7.7922 7.8293 8.5661 8.5666 9.5755 9.5851 10.7044 10.7426 11.2477 11.3038 11.6243 11.6982 12.3622 12.4079 13.2175 13.2648 15.2945 15.3189 15.9595 15.9945 17.3225 17.3653 k = 0.0000 0.5211 0.2955 ( 1716 PWs) bands (ev): -29.3451 -29.3451 -10.4785 -10.4628 -9.1732 -9.1415 -8.9586 -8.9461 -1.8200 -1.7910 4.0449 4.0744 7.5154 7.5261 7.7507 7.7886 8.5494 8.5501 9.5870 9.5960 10.7034 10.7397 11.2448 11.2929 11.6450 11.7154 12.3626 12.4076 13.1832 13.2318 15.3379 15.3610 15.9821 16.0173 17.3539 17.3958 k = 0.0000 0.5211 0.3073 ( 1720 PWs) bands (ev): -29.3441 -29.3441 -10.4817 -10.4663 -9.1787 -9.1476 -8.9582 -8.9463 -1.8191 -1.7907 4.0675 4.0963 7.5156 7.5272 7.7096 7.7484 8.5323 8.5333 9.5992 9.6076 10.7027 10.7370 11.2400 11.2808 11.6680 11.7358 12.3627 12.4065 13.1489 13.1986 15.3809 15.4027 16.0055 16.0409 17.3861 17.4269 k = 0.0000 0.5211 0.3192 ( 1718 PWs) bands (ev): -29.3431 -29.3431 -10.4849 -10.4698 -9.1842 -9.1539 -8.9574 -8.9461 -1.8183 -1.7905 4.0902 4.1181 7.5152 7.5281 7.6693 7.7091 8.5153 8.5164 9.6118 9.6196 10.7023 10.7346 11.2337 11.2680 11.6930 11.7592 12.3623 12.4047 13.1146 13.1655 15.4233 15.4439 16.0295 16.0648 17.4193 17.4585 k = 0.0000 0.5211 0.3310 ( 1718 PWs) bands (ev): -29.3421 -29.3421 -10.4881 -10.4733 -9.1895 -9.1602 -8.9564 -8.9457 -1.8175 -1.7906 4.1127 4.1396 7.5137 7.5283 7.6301 7.6713 8.4983 8.4996 9.6247 9.6319 10.7021 10.7323 11.2263 11.2550 11.7196 11.7847 12.3616 12.4023 13.0805 13.1324 15.4647 15.4844 16.0539 16.0889 17.4534 17.4907 k = 0.0000 0.5211 0.3428 ( 1720 PWs) bands (ev): -29.3412 -29.3412 -10.4912 -10.4769 -9.1947 -9.1664 -8.9552 -8.9452 -1.8168 -1.7908 4.1351 4.1609 7.5103 7.5270 7.5932 7.6361 8.4817 8.4831 9.6379 9.6444 10.7022 10.7302 11.2179 11.2418 11.7474 11.8121 12.3606 12.3994 13.0467 13.0994 15.5051 15.5238 16.0782 16.1126 17.4883 17.5233 k = 0.0000 0.5211 0.3546 ( 1724 PWs) bands (ev): -29.3403 -29.3402 -10.4943 -10.4805 -9.1997 -9.1726 -8.9538 -8.9444 -1.8162 -1.7912 4.1571 4.1817 7.5031 7.5201 7.5629 7.6054 8.4655 8.4671 9.6510 9.6569 10.7025 10.7283 11.2091 11.2289 11.7760 11.8408 12.3594 12.3959 13.0132 13.0666 15.5442 15.5621 16.1021 16.1356 17.5240 17.5562 k = 0.0000 0.5211 0.3664 ( 1726 PWs) bands (ev): -29.3394 -29.3394 -10.4973 -10.4841 -9.2045 -9.1787 -8.9522 -8.9436 -1.8155 -1.7917 4.1787 4.2020 7.4898 7.4989 7.5480 7.5820 8.4500 8.4517 9.6640 9.6693 10.7029 10.7266 11.1999 11.2164 11.8053 11.8703 12.3582 12.3920 12.9802 13.0340 15.5820 15.5991 16.1251 16.1573 17.5602 17.5892 k = 0.0000 0.5211 0.3783 ( 1726 PWs) bands (ev): -29.3385 -29.3385 -10.5002 -10.4876 -9.2089 -9.1845 -8.9507 -8.9427 -1.8149 -1.7923 4.1998 4.2217 7.4672 7.4697 7.5441 7.5672 8.4352 8.4369 9.6768 9.6814 10.7036 10.7251 11.1907 11.2045 11.8351 11.9004 12.3569 12.3878 12.9479 13.0018 15.6183 15.6347 16.1467 16.1775 17.5967 17.6221 k = 0.0000 0.5211 0.3901 ( 1724 PWs) bands (ev): -29.3377 -29.3377 -10.5029 -10.4911 -9.2130 -9.1902 -8.9490 -8.9417 -1.8143 -1.7931 4.2201 4.2406 7.4353 7.4430 7.5433 7.5592 8.4212 8.4230 9.6893 9.6933 10.7043 10.7236 11.1817 11.1932 11.8649 11.9306 12.3557 12.3833 12.9164 12.9701 15.6532 15.6689 16.1666 16.1954 17.6331 17.6547 k = 0.0000 0.5211 0.4019 ( 1726 PWs) bands (ev): -29.3370 -29.3370 -10.5055 -10.4944 -9.2168 -9.1955 -8.9474 -8.9408 -1.8137 -1.7939 4.2395 4.2585 7.4038 7.4145 7.5434 7.5550 8.4082 8.4101 9.7012 9.7048 10.7050 10.7223 11.1730 11.1826 11.8946 11.9604 12.3547 12.3788 12.8858 12.9389 15.6866 15.7015 16.1842 16.2110 17.6691 17.6867 k = 0.0000 0.5211 0.4137 ( 1724 PWs) bands (ev): -29.3363 -29.3363 -10.5079 -10.4976 -9.2201 -9.2006 -8.9458 -8.9398 -1.8131 -1.7949 4.2580 4.2754 7.3739 7.3859 7.5438 7.5528 8.3963 8.3981 9.7126 9.7157 10.7058 10.7210 11.1648 11.1729 11.9240 11.9895 12.3539 12.3743 12.8564 12.9084 15.7185 15.7326 16.1994 16.2238 17.7040 17.7178 k = 0.0000 0.5211 0.4255 ( 1730 PWs) bands (ev): -29.3357 -29.3356 -10.5101 -10.5007 -9.2232 -9.2054 -8.9442 -8.9389 -1.8125 -1.7959 4.2754 4.2911 7.3460 7.3583 7.5442 7.5515 8.3853 8.3871 9.7232 9.7259 10.7065 10.7198 11.1570 11.1638 11.9526 12.0174 12.3533 12.3700 12.8282 12.8786 15.7487 15.7619 16.2118 16.2337 17.7372 17.7477 k = 0.0000 0.5211 0.4374 ( 1728 PWs) bands (ev): -29.3351 -29.3351 -10.5120 -10.5036 -9.2257 -9.2098 -8.9428 -8.9381 -1.8119 -1.7969 4.2914 4.3055 7.3205 7.3323 7.5448 7.5508 8.3756 8.3772 9.7331 9.7353 10.7072 10.7187 11.1500 11.1557 11.9804 12.0438 12.3531 12.3662 12.8018 12.8500 15.7772 15.7895 16.2213 16.2408 17.7679 17.7763 k = 0.0000 0.5211 0.4492 ( 1726 PWs) bands (ev): -29.3346 -29.3345 -10.5137 -10.5062 -9.2279 -9.2139 -8.9414 -8.9373 -1.8113 -1.7980 4.3061 4.3185 7.2975 7.3085 7.5453 7.5503 8.3669 8.3684 9.7419 9.7439 10.7079 10.7176 11.1438 11.1486 12.0070 12.0680 12.3532 12.3630 12.7773 12.8225 15.8039 15.8151 16.2282 16.2451 17.7956 17.8031 k = 0.0000 0.5211 0.4610 ( 1730 PWs) bands (ev): -29.3341 -29.3341 -10.5152 -10.5087 -9.2297 -9.2176 -8.9401 -8.9367 -1.8106 -1.7992 4.3193 4.3299 7.2774 7.2872 7.5457 7.5499 8.3594 8.3608 9.7498 9.7515 10.7085 10.7166 11.1382 11.1422 12.0321 12.0894 12.3536 12.3606 12.7551 12.7966 15.8284 15.8384 16.2326 16.2469 17.8199 17.8277 k = 0.0000 0.5211 0.4728 ( 1726 PWs) bands (ev): -29.3337 -29.3337 -10.5163 -10.5109 -9.2310 -9.2209 -8.9390 -8.9361 -1.8099 -1.8003 4.3307 4.3397 7.2601 7.2686 7.5462 7.5496 8.3531 8.3543 9.7567 9.7581 10.7091 10.7156 11.1336 11.1369 12.0553 12.1074 12.3543 12.3593 12.7356 12.7725 15.8505 15.8592 16.2349 16.2467 17.8411 17.8490 k = 0.0000 0.5211 0.4846 ( 1724 PWs) bands (ev): -29.3334 -29.3334 -10.5172 -10.5128 -9.2319 -9.2238 -8.9380 -8.9357 -1.8091 -1.8014 4.3405 4.3476 7.2460 7.2530 7.5466 7.5493 8.3480 8.3489 9.7625 9.7636 10.7096 10.7147 11.1299 11.1325 12.0764 12.1214 12.3551 12.3590 12.7195 12.7507 15.8699 15.8770 16.2357 16.2451 17.8590 17.8666 k = 0.0000 0.5211 0.4965 ( 1726 PWs) bands (ev): -29.3331 -29.3331 -10.5177 -10.5144 -9.2324 -9.2263 -8.9371 -8.9354 -1.8083 -1.8025 4.3483 4.3537 7.2351 7.2404 7.5470 7.5490 8.3440 8.3448 9.7670 9.7678 10.7101 10.7139 11.1270 11.1289 12.0949 12.1309 12.3561 12.3594 12.7071 12.7318 15.8859 15.8915 16.2355 16.2425 17.8735 17.8801 k = 0.0000 0.5211 0.5083 ( 1726 PWs) bands (ev): -29.3330 -29.3330 -10.5180 -10.5158 -9.2325 -9.2284 -8.9365 -8.9353 -1.8075 -1.8036 4.3542 4.3578 7.2275 7.2311 7.5474 7.5487 8.3412 8.3417 9.7703 9.7709 10.7106 10.7131 11.1250 11.1263 12.1105 12.1356 12.3575 12.3599 12.6992 12.7163 15.8982 15.9020 16.2351 16.2397 17.8845 17.8893 k = 0.0000 0.5211 0.5201 ( 1726 PWs) bands (ev): -29.3328 -29.3328 -10.5179 -10.5168 -9.2321 -9.2300 -8.9359 -8.9354 -1.8066 -1.8046 4.3582 4.3600 7.2232 7.2251 7.5478 7.5484 8.3396 8.3399 9.7724 9.7727 10.7112 10.7124 11.1240 11.1246 12.1227 12.1357 12.3588 12.3601 12.6961 12.7048 15.9062 15.9081 16.2350 16.2374 17.8917 17.8943 k = 0.0000 0.5211 0.5319 ( 1728 PWs) bands (ev): -29.3328 -29.3328 -10.5175 -10.5175 -9.2313 -9.2313 -8.9356 -8.9356 -1.8056 -1.8056 4.3601 4.3601 7.2224 7.2224 7.5481 7.5481 8.3392 8.3392 9.7732 9.7732 10.7118 10.7118 11.1238 11.1238 12.1312 12.1312 12.3597 12.3597 12.6980 12.6980 15.9095 15.9095 16.2357 16.2357 17.8950 17.8950 k = 0.0000 0.5211 0.5319 ( 1728 PWs) bands (ev): -29.3328 -29.3328 -10.5175 -10.5175 -9.2313 -9.2313 -8.9356 -8.9356 -1.8056 -1.8056 4.3601 4.3601 7.2224 7.2224 7.5481 7.5481 8.3392 8.3392 9.7732 9.7732 10.7118 10.7118 11.1238 11.1238 12.1312 12.1312 12.3597 12.3597 12.6980 12.6980 15.9095 15.9095 16.2357 16.2357 17.8950 17.8950 k = 0.0118 0.5211 0.5319 ( 1726 PWs) bands (ev): -29.3328 -29.3328 -10.5178 -10.5173 -9.2314 -9.2310 -8.9363 -8.9352 -1.8056 -1.8053 4.3595 4.3599 7.2219 7.2249 7.5467 7.5480 8.3367 8.3387 9.7761 9.7768 10.7051 10.7113 11.1233 11.1322 12.1296 12.1306 12.3570 12.3595 12.6976 12.6989 15.9068 15.9078 16.2346 16.2386 17.8946 17.8978 k = 0.0236 0.5211 0.5319 ( 1726 PWs) bands (ev): -29.3327 -29.3327 -10.5181 -10.5171 -9.2314 -9.2307 -8.9375 -8.9353 -1.8054 -1.8048 4.3582 4.3589 7.2231 7.2292 7.5439 7.5464 8.3314 8.3355 9.7855 9.7867 10.6920 10.7037 11.1306 11.1476 12.1254 12.1276 12.3516 12.3564 12.6976 12.7002 15.8997 15.9017 16.2353 16.2432 17.8965 17.9029 k = 0.0355 0.5211 0.5319 ( 1724 PWs) bands (ev): -29.3327 -29.3327 -10.5184 -10.5169 -9.2313 -9.2302 -8.9391 -8.9358 -1.8049 -1.8040 4.3561 4.3571 7.2263 7.2354 7.5396 7.5433 8.3234 8.3295 9.8011 9.8029 10.6739 10.6899 11.1449 11.1689 12.1185 12.1220 12.3438 12.3507 12.6981 12.7020 15.8884 15.8913 16.2377 16.2495 17.9008 17.9102 k = 0.0473 0.5211 0.5319 ( 1718 PWs) bands (ev): -29.3326 -29.3326 -10.5187 -10.5167 -9.2310 -9.2296 -8.9411 -8.9367 -1.8041 -1.8030 4.3533 4.3546 7.2312 7.2433 7.5338 7.5388 8.3132 8.3212 9.8227 9.8250 10.6520 10.6711 11.1649 11.1946 12.1085 12.1137 12.3344 12.3427 12.6991 12.7044 15.8730 15.8768 16.2419 16.2573 17.9072 17.9196 k = 0.0591 0.5211 0.5319 ( 1718 PWs) bands (ev): -29.3324 -29.3324 -10.5191 -10.5166 -9.2307 -9.2290 -8.9435 -8.9381 -1.8032 -1.8017 4.3498 4.3515 7.2378 7.2530 7.5265 7.5328 8.3009 8.3107 9.8497 9.8524 10.6275 10.6487 11.1891 11.2236 12.0946 12.1021 12.3241 12.3331 12.7005 12.7073 15.8539 15.8585 16.2478 16.2666 17.9156 17.9308 k = 0.0709 0.5211 0.5319 ( 1714 PWs) bands (ev): -29.3322 -29.3322 -10.5194 -10.5165 -9.2302 -9.2282 -8.9463 -8.9398 -1.8020 -1.8002 4.3458 4.3477 7.2460 7.2643 7.5178 7.5253 8.2871 8.2985 9.8817 9.8847 10.6014 10.6239 11.2166 11.2550 12.0766 12.0867 12.3136 12.3227 12.7025 12.7108 15.8313 15.8367 16.2553 16.2772 17.9260 17.9436 k = 0.0827 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3320 -29.3320 -10.5198 -10.5165 -9.2296 -9.2273 -8.9494 -8.9419 -1.8005 -1.7985 4.3411 4.3434 7.2558 7.2771 7.5076 7.5163 8.2720 8.2850 9.9181 9.9214 10.5743 10.5976 11.2462 11.2880 12.0539 12.0671 12.3036 12.3122 12.7050 12.7149 15.8056 15.8119 16.2644 16.2892 17.9379 17.9578 k = 0.0946 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3318 -29.3318 -10.5203 -10.5165 -9.2290 -9.2263 -8.9529 -8.9443 -1.7989 -1.7966 4.3361 4.3387 7.2669 7.2914 7.4959 7.5059 8.2561 8.2705 9.9584 9.9619 10.5469 10.5705 11.2772 11.3219 12.0264 12.0429 12.2947 12.3022 12.7081 12.7197 15.7773 15.7842 16.2749 16.3022 17.9512 17.9732 k = 0.1064 0.5211 0.5319 ( 1714 PWs) bands (ev): -29.3316 -29.3316 -10.5207 -10.5165 -9.2282 -9.2252 -8.9566 -8.9471 -1.7971 -1.7946 4.3307 4.3336 7.2793 7.3069 7.4828 7.4940 8.2399 8.2555 10.0020 10.0057 10.5196 10.5433 11.3092 11.3564 11.9943 12.0142 12.2870 12.2931 12.7117 12.7251 15.7466 15.7543 16.2868 16.3164 17.9657 17.9895 k = 0.1182 0.5211 0.5319 ( 1714 PWs) bands (ev): -29.3313 -29.3313 -10.5212 -10.5166 -9.2274 -9.2241 -8.9607 -8.9502 -1.7952 -1.7924 4.3251 4.3283 7.2927 7.3235 7.4682 7.4807 8.2235 8.2403 10.0484 10.0521 10.4927 10.5163 11.3415 11.3911 11.9579 11.9810 12.2806 12.2852 12.7161 12.7313 15.7140 15.7224 16.3001 16.3316 17.9810 18.0065 k = 0.1300 0.5211 0.5319 ( 1722 PWs) bands (ev): -29.3310 -29.3310 -10.5218 -10.5167 -9.2265 -9.2228 -8.9650 -8.9535 -1.7931 -1.7900 4.3193 4.3228 7.3068 7.3410 7.4521 7.4661 8.2074 8.2251 10.0968 10.1006 10.4664 10.4900 11.3738 11.4257 11.9177 11.9437 12.2754 12.2785 12.7211 12.7382 15.6799 15.6891 16.3147 16.3477 17.9970 18.0239 k = 0.1418 0.5211 0.5319 ( 1720 PWs) bands (ev): -29.3307 -29.3307 -10.5223 -10.5168 -9.2256 -9.2216 -8.9695 -8.9571 -1.7909 -1.7876 4.3135 4.3174 7.3211 7.3591 7.4349 7.4506 8.1919 8.2104 10.1470 10.1509 10.4412 10.4647 11.4060 11.4600 11.8744 11.9031 12.2713 12.2729 12.7268 12.7459 15.6447 15.6546 16.3306 16.3649 18.0133 18.0415 k = 0.1537 0.5211 0.5319 ( 1722 PWs) bands (ev): -29.3303 -29.3303 -10.5228 -10.5170 -9.2246 -9.2203 -8.9742 -8.9609 -1.7885 -1.7850 4.3079 4.3120 7.3349 7.3767 7.4172 7.4348 8.1771 8.1963 10.1979 10.2020 10.4172 10.4408 11.4376 11.4937 11.8287 11.8595 12.2680 12.2683 12.7333 12.7545 15.6087 15.6194 16.3477 16.3829 18.0297 18.0591 k = 0.1655 0.5211 0.5319 ( 1722 PWs) bands (ev): -29.3300 -29.3300 -10.5234 -10.5172 -9.2235 -9.2189 -8.9790 -8.9649 -1.7861 -1.7824 4.3026 4.3070 7.3462 7.3850 7.4079 7.4205 8.1633 8.1831 10.2489 10.2536 10.3948 10.4188 11.4683 11.5266 11.7812 11.8138 12.2644 12.2655 12.7406 12.7638 15.5724 15.5838 16.3660 16.4019 18.0458 18.0762 k = 0.1773 0.5211 0.5319 ( 1724 PWs) bands (ev): -29.3296 -29.3296 -10.5240 -10.5175 -9.2225 -9.2175 -8.9839 -8.9691 -1.7837 -1.7798 4.2976 4.3023 7.3501 7.3686 7.4124 7.4220 8.1505 8.1708 10.2980 10.3043 10.3747 10.4003 11.4978 11.5585 11.7329 11.7665 12.2612 12.2634 12.7485 12.7740 15.5360 15.5483 16.3856 16.4218 18.0612 18.0927 k = 0.1891 0.5211 0.5319 ( 1722 PWs) bands (ev): -29.3292 -29.3292 -10.5246 -10.5178 -9.2214 -9.2162 -8.9889 -8.9733 -1.7812 -1.7772 4.2932 4.2981 7.3413 7.3460 7.4155 7.4410 8.1390 8.1596 10.3369 10.3423 10.3685 10.3932 11.5250 11.5889 11.6852 11.7187 12.2586 12.2619 12.7572 12.7850 15.5000 15.5131 16.4065 16.4428 18.0756 18.1080 k = 0.2009 0.5211 0.5319 ( 1714 PWs) bands (ev): -29.3289 -29.3289 -10.5252 -10.5181 -9.2203 -9.2148 -8.9938 -8.9776 -1.7787 -1.7745 4.2894 4.2946 7.3213 7.3229 7.4267 7.4604 8.1288 8.1496 10.3323 10.3426 10.4109 10.4203 11.5470 11.6164 11.6417 11.6726 12.2564 12.2606 12.7665 12.7966 15.4646 15.4786 16.4286 16.4648 18.0885 18.1218 k = 0.2128 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3285 -29.3285 -10.5258 -10.5185 -9.2192 -9.2135 -8.9988 -8.9820 -1.7763 -1.7719 4.2864 4.2918 7.2950 7.2997 7.4412 7.4797 8.1200 8.1408 10.3171 10.3313 10.4587 10.4645 11.5486 11.6136 11.6180 11.6558 12.2545 12.2597 12.7764 12.8089 15.4301 15.4450 16.4521 16.4880 18.0995 18.1336 k = 0.2246 0.5211 0.5319 ( 1710 PWs) bands (ev): -29.3281 -29.3281 -10.5265 -10.5189 -9.2181 -9.2122 -9.0037 -8.9863 -1.7739 -1.7694 4.2843 4.2900 7.2673 7.2736 7.4566 7.4986 8.1125 8.1333 10.3031 10.3184 10.5046 10.5097 11.5171 11.5708 11.6276 11.6790 12.2529 12.2589 12.7866 12.8215 15.3969 15.4128 16.4769 16.5123 18.1080 18.1428 k = 0.2364 0.5211 0.5319 ( 1708 PWs) bands (ev): -29.3276 -29.3276 -10.5272 -10.5194 -9.2171 -9.2109 -9.0085 -8.9906 -1.7715 -1.7669 4.2833 4.2891 7.2383 7.2456 7.4722 7.5167 8.1064 8.1271 10.2909 10.3067 10.5475 10.5528 11.4757 11.5267 11.6482 11.7041 12.2515 12.2583 12.7971 12.8345 15.3652 15.3821 16.5031 16.5379 18.1138 18.1491 k = 0.2482 0.5211 0.5319 ( 1710 PWs) bands (ev): -29.3272 -29.3272 -10.5278 -10.5199 -9.2162 -9.2098 -9.0132 -8.9949 -1.7693 -1.7646 4.2833 4.2894 7.2080 7.2159 7.4873 7.5340 8.1015 8.1221 10.2806 10.2966 10.5864 10.5922 11.4347 11.4852 11.6702 11.7284 12.2503 12.2578 12.8077 12.8475 15.3353 15.3532 16.5306 16.5647 18.1165 18.1522 k = 0.2600 0.5211 0.5319 ( 1710 PWs) bands (ev): -29.3268 -29.3268 -10.5285 -10.5204 -9.2153 -9.2087 -9.0177 -8.9990 -1.7671 -1.7623 4.2847 4.2909 7.1767 7.1849 7.5018 7.5502 8.0980 8.1184 10.2723 10.2884 10.6202 10.6266 11.3973 11.4477 11.6920 11.7514 12.2492 12.2573 12.8181 12.8602 15.3076 15.3265 16.5595 16.5928 18.1163 18.1521 k = 0.2718 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3264 -29.3264 -10.5292 -10.5210 -9.2144 -9.2078 -9.0220 -9.0030 -1.7651 -1.7603 4.2874 4.2937 7.1443 7.1527 7.5154 7.5651 8.0958 8.1158 10.2659 10.2822 10.6477 10.6546 11.3651 11.4155 11.7130 11.7731 12.2483 12.2570 12.8280 12.8725 15.2822 15.3020 16.5898 16.6222 18.1131 18.1488 k = 0.2837 0.5211 0.5319 ( 1714 PWs) bands (ev): -29.3261 -29.3261 -10.5298 -10.5215 -9.2137 -9.2069 -9.0261 -9.0069 -1.7633 -1.7584 4.2915 4.2980 7.1109 7.1194 7.5279 7.5787 8.0947 8.1144 10.2616 10.2779 10.6678 10.6749 11.3397 11.3899 11.7331 11.7936 12.2475 12.2567 12.8373 12.8839 15.2594 15.2800 16.6213 16.6528 18.1071 18.1428 k = 0.2955 0.5211 0.5319 ( 1716 PWs) bands (ev): -29.3257 -29.3257 -10.5305 -10.5221 -9.2130 -9.2062 -9.0298 -9.0105 -1.7616 -1.7566 4.2971 4.3037 7.0767 7.0851 7.5393 7.5909 8.0946 8.1140 10.2592 10.2757 10.6795 10.6865 11.3224 11.3719 11.7522 11.8129 12.2468 12.2564 12.8456 12.8942 15.2392 15.2606 16.6539 16.6844 18.0988 18.1342 k = 0.3073 0.5211 0.5319 ( 1718 PWs) bands (ev): -29.3253 -29.3253 -10.5311 -10.5228 -9.2125 -9.2056 -9.0333 -9.0139 -1.7600 -1.7551 4.3042 4.3110 7.0418 7.0501 7.5493 7.6015 8.0956 8.1146 10.2588 10.2753 10.6825 10.6887 11.3139 11.3621 11.7703 11.8309 12.2462 12.2562 12.8526 12.9030 15.2219 15.2438 16.6875 16.7171 18.0886 18.1234 k = 0.3191 0.5211 0.5319 ( 1718 PWs) bands (ev): -29.3250 -29.3250 -10.5317 -10.5234 -9.2120 -9.2052 -9.0364 -9.0171 -1.7587 -1.7537 4.3130 4.3199 7.0063 7.0145 7.5580 7.6105 8.0975 8.1161 10.2601 10.2768 10.6769 10.6820 11.3139 11.3602 11.7877 11.8480 12.2457 12.2559 12.8582 12.9100 15.2074 15.2298 16.7219 16.7505 18.0767 18.1110 k = 0.3309 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3246 -29.3246 -10.5323 -10.5240 -9.2117 -9.2049 -9.0392 -9.0200 -1.7575 -1.7526 4.3235 4.3304 6.9704 6.9783 7.5654 7.6178 8.1002 8.1184 10.2632 10.2801 10.6636 10.6673 11.3214 11.3657 11.8042 11.8641 12.2454 12.2558 12.8620 12.9151 15.1957 15.2183 16.7568 16.7845 18.0637 18.0973 k = 0.3428 0.5211 0.5319 ( 1712 PWs) bands (ev): -29.3243 -29.3243 -10.5328 -10.5246 -9.2114 -9.2047 -9.0417 -9.0227 -1.7565 -1.7516 4.3356 4.3425 6.9341 6.9417 7.5713 7.6234 8.1036 8.1214 10.2679 10.2849 10.6439 10.6462 11.3349 11.3770 11.8200 11.8794 12.2452 12.2557 12.8640 12.9178 15.1866 15.2093 16.7918 16.8187 18.0500 18.0828 k = 0.3546 0.5211 0.5319 ( 1708 PWs) bands (ev): -29.3240 -29.3240 -10.5333 -10.5252 -9.2112 -9.2047 -9.0438 -9.0251 -1.7557 -1.7509 4.3493 4.3564 6.8976 6.9050 7.5757 7.6274 8.1076 8.1250 10.2740 10.2911 10.6194 10.6205 11.3530 11.3930 11.8351 11.8938 12.2451 12.2557 12.8639 12.9182 15.1799 15.2024 16.8266 16.8527 18.0361 18.0679 k = 0.3664 0.5211 0.5319 ( 1706 PWs) bands (ev): -29.3238 -29.3237 -10.5338 -10.5258 -9.2112 -9.2048 -9.0455 -9.0272 -1.7551 -1.7503 4.3648 4.3718 6.8610 6.8681 7.5786 7.6296 8.1122 8.1291 10.2813 10.2985 10.5914 10.5917 11.3741 11.4123 11.8496 11.9074 12.2451 12.2558 12.8617 12.9161 15.1753 15.1973 16.8607 16.8860 18.0225 18.0532 k = 0.3782 0.5211 0.5319 ( 1708 PWs) bands (ev): -29.3235 -29.3235 -10.5342 -10.5264 -9.2112 -9.2050 -9.0469 -9.0290 -1.7547 -1.7500 4.3818 4.3889 6.8245 6.8314 7.5802 7.6302 8.1171 8.1336 10.2897 10.3069 10.5609 10.5612 11.3971 11.4336 11.8636 11.9204 12.2453 12.2559 12.8574 12.9115 15.1721 15.1935 16.8934 16.9181 18.0098 18.0393 k = 0.3900 0.5211 0.5319 ( 1706 PWs) bands (ev): -29.3233 -29.3233 -10.5345 -10.5269 -9.2113 -9.2053 -9.0480 -9.0305 -1.7544 -1.7499 4.4005 4.4075 6.7883 6.7948 7.5803 7.6292 8.1223 8.1384 10.2990 10.3161 10.5293 10.5299 11.4211 11.4562 11.8770 11.9327 12.2458 12.2562 12.8512 12.9045 15.1698 15.1903 16.9242 16.9482 17.9985 18.0266 k = 0.3900 0.5211 0.5319 ( 1706 PWs) bands (ev): -29.3233 -29.3233 -10.5345 -10.5269 -9.2113 -9.2053 -9.0480 -9.0305 -1.7544 -1.7499 4.4005 4.4075 6.7883 6.7948 7.5803 7.6292 8.1223 8.1384 10.2990 10.3161 10.5293 10.5299 11.4211 11.4562 11.8770 11.9327 12.2458 12.2562 12.8512 12.9045 15.1698 15.1903 16.9242 16.9482 17.9985 18.0266 k = 0.3830 0.5117 0.5319 ( 1706 PWs) bands (ev): -29.3236 -29.3236 -10.5340 -10.5260 -9.2111 -9.2047 -9.0464 -9.0281 -1.7547 -1.7500 4.3690 4.3761 6.8481 6.8551 7.5809 7.6318 8.1130 8.1298 10.2831 10.3003 10.5841 10.5844 11.3799 11.4172 11.8547 11.9122 12.2450 12.2557 12.8622 12.9170 15.1747 15.1968 16.8747 16.8996 18.0178 18.0485 k = 0.3759 0.5022 0.5319 ( 1702 PWs) bands (ev): -29.3240 -29.3240 -10.5334 -10.5251 -9.2109 -9.2041 -9.0447 -9.0256 -1.7550 -1.7501 4.3398 4.3468 6.9070 6.9145 7.5808 7.6333 8.1031 8.1205 10.2677 10.2849 10.6423 10.6425 11.3374 11.3769 11.8317 11.8907 12.2444 12.2553 12.8712 12.9269 15.1831 15.2066 16.8249 16.8507 18.0414 18.0747 k = 0.3688 0.4927 0.5319 ( 1702 PWs) bands (ev): -29.3244 -29.3244 -10.5327 -10.5242 -9.2107 -9.2036 -9.0427 -9.0229 -1.7553 -1.7503 4.3128 4.3198 6.9647 6.9725 7.5797 7.6336 8.0924 8.1105 10.2531 10.2701 10.7031 10.7041 11.2938 11.3357 11.8081 11.8682 12.2441 12.2552 12.8776 12.9340 15.1953 15.2201 16.7747 16.8015 18.0689 18.1051 k = 0.3617 0.4832 0.5319 ( 1710 PWs) bands (ev): -29.3248 -29.3248 -10.5320 -10.5233 -9.2105 -9.2031 -9.0406 -9.0202 -1.7558 -1.7506 4.2882 4.2952 7.0209 7.0291 7.5777 7.6326 8.0810 8.0996 10.2394 10.2563 10.7662 10.7685 11.2491 11.2938 11.7840 11.8450 12.2439 12.2552 12.8812 12.9379 15.2120 15.2379 16.7244 16.7522 18.1002 18.1394 k = 0.3546 0.4738 0.5319 ( 1710 PWs) bands (ev): -29.3252 -29.3252 -10.5313 -10.5224 -9.2104 -9.2027 -9.0382 -9.0172 -1.7562 -1.7510 4.2662 4.2730 7.0757 7.0842 7.5745 7.6301 8.0689 8.0881 10.2270 10.2436 10.8314 10.8357 11.2038 11.2522 11.7596 11.8211 12.2442 12.2555 12.8818 12.9385 15.2336 15.2603 16.6741 16.7027 18.1351 18.1776 k = 0.3475 0.4643 0.5319 ( 1714 PWs) bands (ev): -29.3256 -29.3256 -10.5306 -10.5215 -9.2102 -9.2023 -9.0356 -9.0141 -1.7568 -1.7514 4.2468 4.2534 7.1289 7.1374 7.5701 7.6261 8.0560 8.0757 10.2160 10.2323 10.8970 10.9052 11.1582 11.2118 11.7349 11.7966 12.2447 12.2562 12.8791 12.9354 15.2603 15.2877 16.6236 16.6533 18.1729 18.2194 k = 0.3404 0.4548 0.5319 ( 1722 PWs) bands (ev): -29.3261 -29.3261 -10.5298 -10.5206 -9.2101 -9.2020 -9.0329 -9.0109 -1.7573 -1.7519 4.2300 4.2365 7.1804 7.1888 7.5644 7.6203 8.0425 8.0626 10.2063 10.2222 10.9595 10.9758 11.1133 11.1764 11.7100 11.7716 12.2457 12.2572 12.8731 12.9288 15.2925 15.3203 16.5731 16.6038 18.2127 18.2641 k = 0.3333 0.4453 0.5319 ( 1722 PWs) bands (ev): -29.3265 -29.3265 -10.5290 -10.5197 -9.2101 -9.2017 -9.0299 -9.0075 -1.7580 -1.7525 4.2159 4.2222 7.2301 7.2381 7.5574 7.6128 8.0283 8.0488 10.1981 10.2137 11.0067 11.0354 11.0814 11.1581 11.6852 11.7463 12.2473 12.2588 12.8638 12.9185 15.3303 15.3583 16.5226 16.5544 18.2514 18.3103 k = 0.3262 0.4359 0.5319 ( 1722 PWs) bands (ev): -29.3270 -29.3270 -10.5281 -10.5188 -9.2100 -9.2014 -9.0266 -9.0040 -1.7586 -1.7531 4.2045 4.2106 7.2779 7.2851 7.5491 7.6034 8.0134 8.0342 10.1916 10.2068 11.0115 11.0136 11.1345 11.1817 11.6605 11.7208 12.2495 12.2609 12.8511 12.9048 15.3737 15.4018 16.4721 16.5050 18.2780 18.3335 k = 0.3191 0.4264 0.5319 ( 1724 PWs) bands (ev): -29.3275 -29.3275 -10.5273 -10.5179 -9.2100 -9.2013 -9.0232 -9.0004 -1.7593 -1.7538 4.1958 4.2016 7.3238 7.3296 7.5398 7.5920 7.9978 8.0189 10.1866 10.2013 10.9670 10.9869 11.2095 11.2402 11.6361 11.6951 12.2524 12.2638 12.8354 12.8879 15.4227 15.4507 16.4216 16.4556 18.2719 18.3030 k = 0.3120 0.4169 0.5319 ( 1724 PWs) bands (ev): -29.3280 -29.3280 -10.5264 -10.5171 -9.2100 -9.2012 -9.0196 -8.9966 -1.7600 -1.7545 4.1899 4.1954 7.3677 7.3710 7.5299 7.5788 7.9816 8.0029 10.1832 10.1975 10.9215 10.9490 11.2866 11.3110 11.6122 11.6695 12.2563 12.2676 12.8167 12.8679 15.4770 15.5048 16.3710 16.4062 18.2430 18.2647 k = 0.3049 0.4074 0.5319 ( 1716 PWs) bands (ev): -29.3285 -29.3285 -10.5255 -10.5162 -9.2101 -9.2011 -9.0158 -8.9927 -1.7608 -1.7553 4.1867 4.1919 7.4076 7.4096 7.5210 7.5636 7.9649 7.9863 10.1815 10.1952 10.8763 10.9079 11.3643 11.3857 11.5891 11.6444 12.2613 12.2724 12.7954 12.8453 15.5366 15.5641 16.3202 16.3568 18.2059 18.2232 k = 0.2979 0.3980 0.5319 ( 1712 PWs) bands (ev): -29.3290 -29.3290 -10.5246 -10.5154 -9.2101 -9.2011 -9.0117 -8.9887 -1.7615 -1.7561 4.1861 4.1911 7.4347 7.4494 7.5177 7.5465 7.9475 7.9690 10.1812 10.1943 10.8318 10.8659 11.4408 11.4608 11.5674 11.6202 12.2677 12.2786 12.7717 12.8204 15.6009 15.6281 16.2694 16.3073 18.1645 18.1792 k = 0.2908 0.3885 0.5319 ( 1712 PWs) bands (ev): -29.3296 -29.3296 -10.5238 -10.5146 -9.2102 -9.2011 -9.0075 -8.9845 -1.7623 -1.7569 4.1882 4.1928 7.4438 7.4867 7.5279 7.5287 7.9295 7.9511 10.1823 10.1947 10.7881 10.8240 11.5090 11.5309 11.5537 11.6011 12.2759 12.2865 12.7459 12.7935 15.6697 15.6966 16.2183 16.2578 18.1198 18.1325 k = 0.2837 0.3790 0.5319 ( 1708 PWs) bands (ev): -29.3301 -29.3301 -10.5229 -10.5138 -9.2103 -9.2012 -9.0032 -8.9803 -1.7631 -1.7577 4.1929 4.1972 7.4358 7.5036 7.5258 7.5529 7.9111 7.9326 10.1848 10.1964 10.7457 10.7827 11.5155 11.5554 11.6009 11.6265 12.2865 12.2965 12.7186 12.7652 15.7426 15.7692 16.1670 16.2081 18.0722 18.0830 k = 0.2766 0.3695 0.5319 ( 1708 PWs) bands (ev): -29.3307 -29.3307 -10.5220 -10.5130 -9.2105 -9.2014 -8.9986 -8.9759 -1.7638 -1.7585 4.2001 4.2040 7.4197 7.4822 7.5580 7.5816 7.8921 7.9135 10.1885 10.1992 10.7046 10.7425 11.4976 11.5369 11.6706 11.6929 12.2999 12.3092 12.6900 12.7358 15.8191 15.8455 16.1153 16.1582 18.0215 18.0307 k = 0.2695 0.3601 0.5319 ( 1716 PWs) bands (ev): -29.3312 -29.3312 -10.5211 -10.5123 -9.2106 -9.2016 -8.9939 -8.9715 -1.7645 -1.7593 4.2098 4.2133 7.3995 7.4578 7.5894 7.6105 7.8725 7.8938 10.1932 10.2028 10.6651 10.7037 11.4789 11.5143 11.7382 11.7599 12.3170 12.3253 12.6605 12.7057 15.8987 15.9249 16.0633 16.1081 17.9676 17.9752 k = 0.2624 0.3506 0.5319 ( 1720 PWs) bands (ev): -29.3318 -29.3318 -10.5202 -10.5116 -9.2108 -9.2018 -8.9891 -8.9669 -1.7652 -1.7601 4.2218 4.2250 7.3767 7.4316 7.6189 7.6384 7.8526 7.8737 10.1988 10.2071 10.6274 10.6664 11.4609 11.4915 11.8012 11.8226 12.3388 12.3456 12.6305 12.6754 15.9807 16.0067 16.0109 16.0578 17.9105 17.9163 k = 0.2553 0.3411 0.5319 ( 1716 PWs) bands (ev): -29.3324 -29.3324 -10.5194 -10.5109 -9.2110 -9.2020 -8.9841 -8.9623 -1.7658 -1.7608 4.2362 4.2390 7.3519 7.4039 7.6462 7.6646 7.8323 7.8533 10.2052 10.2120 10.5917 10.6310 11.4443 11.4694 11.8581 11.8791 12.3660 12.3710 12.6005 12.6455 15.9578 16.0065 16.0650 16.0913 17.8498 17.8539 k = 0.2482 0.3316 0.5319 ( 1724 PWs) bands (ev): -29.3330 -29.3330 -10.5186 -10.5103 -9.2111 -9.2023 -8.9791 -8.9576 -1.7664 -1.7615 4.2528 4.2552 7.3255 7.3747 7.6713 7.6890 7.8116 7.8325 10.2120 10.2171 10.5581 10.5975 11.4288 11.4479 11.9078 11.9282 12.3989 12.4018 12.5709 12.6166 15.9042 15.9553 16.1504 16.1767 17.7853 17.7878 k = 0.2411 0.3222 0.5319 ( 1724 PWs) bands (ev): -29.3335 -29.3335 -10.5178 -10.5097 -9.2113 -9.2026 -8.9739 -8.9529 -1.7669 -1.7621 4.2715 4.2735 7.2977 7.3442 7.6939 7.7114 7.7907 7.8117 10.2192 10.2224 10.5269 10.5663 11.4147 11.4272 11.9498 11.9693 12.4368 12.4381 12.5424 12.5899 15.8501 15.9036 16.2366 16.2629 17.7169 17.7178 k = 0.2340 0.3127 0.5319 ( 1724 PWs) bands (ev): -29.3341 -29.3341 -10.5170 -10.5092 -9.2115 -9.2029 -8.9686 -8.9481 -1.7673 -1.7627 4.2922 4.2938 7.2687 7.3126 7.7138 7.7318 7.7695 7.7913 10.2266 10.2276 10.4982 10.5374 11.4020 11.4075 11.9842 12.0029 12.4756 12.4766 12.5180 12.5693 15.7952 15.8514 16.3227 16.3491 17.6439 17.6445 k = 0.2269 0.3032 0.5319 ( 1728 PWs) bands (ev): -29.3347 -29.3347 -10.5162 -10.5087 -9.2117 -9.2033 -8.9633 -8.9433 -1.7676 -1.7631 4.3148 4.3160 7.2386 7.2800 7.7287 7.7464 7.7517 7.7733 10.2326 10.2338 10.4721 10.5111 11.3888 11.3906 12.0116 12.0296 12.4811 12.4978 12.5333 12.5712 15.7396 15.7986 16.4079 16.4345 17.5661 17.5681 k = 0.2198 0.2937 0.5319 ( 1724 PWs) bands (ev): -29.3353 -29.3353 -10.5155 -10.5082 -9.2118 -9.2036 -8.9579 -8.9384 -1.7678 -1.7635 4.3392 4.3399 7.2077 7.2465 7.7259 7.7298 7.7668 7.7668 10.2372 10.2409 10.4487 10.4874 11.3711 11.3805 12.0333 12.0509 12.4588 12.4891 12.5802 12.6089 15.6832 15.7452 16.4915 16.5182 17.4846 17.4879 k = 0.2128 0.2843 0.5319 ( 1724 PWs) bands (ev): -29.3359 -29.3359 -10.5148 -10.5078 -9.2120 -9.2040 -8.9524 -8.9336 -1.7680 -1.7638 4.3652 4.3656 7.1759 7.2123 7.7040 7.7140 7.7749 7.7810 10.2412 10.2475 10.4282 10.4664 11.3543 11.3715 12.0503 12.0680 12.4368 12.4711 12.6304 12.6594 15.6260 15.6910 16.5725 16.5993 17.3996 17.4040 k = 0.2057 0.2748 0.5319 ( 1724 PWs) bands (ev): -29.3364 -29.3364 -10.5141 -10.5074 -9.2121 -9.2043 -8.9470 -8.9287 -1.7680 -1.7640 4.3927 4.3928 7.1435 7.1776 7.6819 7.6931 7.7859 7.7932 10.2445 10.2536 10.4107 10.4483 11.3385 11.3635 12.0636 12.0817 12.4170 12.4528 12.6812 12.7129 15.5679 15.6361 16.6500 16.6768 17.3116 17.3168 k = 0.1986 0.2653 0.5319 ( 1728 PWs) bands (ev): -29.3370 -29.3370 -10.5135 -10.5070 -9.2122 -9.2047 -8.9415 -8.9239 -1.7679 -1.7641 4.4213 4.4217 7.1107 7.1425 7.6597 7.6709 7.7960 7.8035 10.2471 10.2589 10.3960 10.4330 11.3235 11.3561 12.0741 12.0931 12.3999 12.4363 12.7312 12.7663 15.5089 15.5804 16.7231 16.7497 17.2208 17.2266 k = 0.1915 0.2558 0.5319 ( 1724 PWs) bands (ev): -29.3376 -29.3376 -10.5129 -10.5067 -9.2123 -9.2050 -8.9360 -8.9190 -1.7677 -1.7640 4.4510 4.4519 7.0775 7.1071 7.6374 7.6482 7.8047 7.8119 10.2488 10.2634 10.3845 10.4206 11.3094 11.3494 12.0826 12.1026 12.3860 12.4225 12.7797 12.8185 15.4490 15.5240 16.7911 16.8172 17.1278 17.1341 k = 0.1844 0.2464 0.5319 ( 1720 PWs) bands (ev): -29.3381 -29.3381 -10.5124 -10.5064 -9.2124 -9.2053 -8.9305 -8.9142 -1.7674 -1.7639 4.4819 4.4831 7.0441 7.0716 7.6151 7.6252 7.8117 7.8185 10.2498 10.2671 10.3759 10.4111 11.2959 11.3428 12.0897 12.1108 12.3757 12.4119 12.8258 12.8686 15.3882 15.4666 16.8527 16.8780 17.0332 17.0400 k = 0.1773 0.2369 0.5319 ( 1716 PWs) bands (ev): -29.3387 -29.3387 -10.5118 -10.5062 -9.2125 -9.2056 -8.9251 -8.9094 -1.7670 -1.7636 4.5137 4.5153 7.0107 7.0361 7.5928 7.6021 7.8171 7.8233 10.2499 10.2698 10.3703 10.4045 11.2831 11.3363 12.0957 12.1178 12.3690 12.4047 12.8692 12.9160 15.3265 15.4084 16.9030 16.9220 16.9421 16.9543 k = 0.1702 0.2274 0.5319 ( 1712 PWs) bands (ev): -29.3392 -29.3392 -10.5114 -10.5060 -9.2125 -9.2059 -8.9197 -8.9047 -1.7664 -1.7633 4.5463 4.5482 6.9774 7.0008 7.5705 7.5790 7.8209 7.8265 10.2493 10.2716 10.3676 10.4006 11.2706 11.3294 12.1012 12.1241 12.3661 12.4012 12.9095 12.9604 15.2639 15.3493 16.8359 16.8424 16.9603 16.9839 k = 0.1631 0.2179 0.5319 ( 1720 PWs) bands (ev): -29.3398 -29.3398 -10.5109 -10.5059 -9.2126 -9.2063 -8.9144 -8.9001 -1.7659 -1.7628 4.5796 4.5817 6.9442 6.9658 7.5483 7.5559 7.8231 7.8281 10.2479 10.2724 10.3678 10.3994 11.2584 11.3218 12.1061 12.1296 12.3672 12.4016 12.9465 13.0015 15.2004 15.2893 16.7385 16.7448 17.0014 17.0237 k = 0.1560 0.2085 0.5319 ( 1724 PWs) bands (ev): -29.3403 -29.3403 -10.5106 -10.5058 -9.2126 -9.2065 -8.9091 -8.8956 -1.7651 -1.7623 4.6132 4.6157 6.9114 6.9313 7.5262 7.5329 7.8240 7.8284 10.2458 10.2724 10.3706 10.4008 11.2464 11.3135 12.1111 12.1346 12.3722 12.4059 12.9801 13.0394 15.1362 15.2285 16.6400 16.6461 17.0363 17.0571 k = 0.1489 0.1990 0.5319 ( 1724 PWs) bands (ev): -29.3408 -29.3408 -10.5102 -10.5057 -9.2126 -9.2068 -8.9040 -8.8912 -1.7643 -1.7616 4.6472 4.6500 6.8791 6.8973 7.5043 7.5101 7.8237 7.8275 10.2432 10.2715 10.3759 10.4047 11.2345 11.3044 12.1161 12.1392 12.3813 12.4142 13.0105 13.0739 15.0713 15.1669 16.5415 16.5472 17.0649 17.0842 k = 0.1418 0.1895 0.5319 ( 1724 PWs) bands (ev): -29.3413 -29.3413 -10.5099 -10.5057 -9.2126 -9.2071 -8.8990 -8.8868 -1.7634 -1.7609 4.6813 4.6843 6.8474 6.8640 7.4827 7.4876 7.8222 7.8254 10.2402 10.2698 10.3836 10.4109 11.2227 11.2944 12.1212 12.1435 12.3942 12.4264 13.0376 13.1050 15.0060 15.1047 16.4433 16.4486 17.0877 17.1054 k = 0.1347 0.1800 0.5319 ( 1716 PWs) bands (ev): -29.3418 -29.3418 -10.5096 -10.5056 -9.2125 -9.2073 -8.8941 -8.8826 -1.7625 -1.7601 4.7154 4.7186 6.8164 6.8315 7.4613 7.4654 7.8198 7.8225 10.2369 10.2675 10.3934 10.4192 11.2111 11.2836 12.1265 12.1477 12.4111 12.4425 13.0617 13.1330 14.9403 15.0418 16.3458 16.3507 17.1054 17.1214 k = 0.1277 0.1706 0.5319 ( 1716 PWs) bands (ev): -29.3422 -29.3422 -10.5094 -10.5057 -9.2124 -9.2075 -8.8893 -8.8785 -1.7615 -1.7592 4.7493 4.7526 6.7863 6.7999 7.4403 7.4436 7.8166 7.8187 10.2333 10.2646 10.4052 10.4294 11.1994 11.2719 12.1317 12.1515 12.4316 12.4621 13.0828 13.1580 14.8744 14.9785 16.2492 16.2537 17.1184 17.1329 k = 0.1206 0.1611 0.5319 ( 1716 PWs) bands (ev): -29.3427 -29.3427 -10.5091 -10.5057 -9.2123 -9.2077 -8.8847 -8.8746 -1.7604 -1.7583 4.7827 4.7862 6.7570 6.7694 7.4197 7.4222 7.8126 7.8143 10.2296 10.2611 10.4186 10.4412 11.1879 11.2595 12.1370 12.1551 12.4556 12.4850 13.1014 13.1801 14.8086 14.9150 16.1539 16.1579 17.1277 17.1406 k = 0.1135 0.1516 0.5319 ( 1720 PWs) bands (ev): -29.3431 -29.3431 -10.5090 -10.5058 -9.2122 -9.2079 -8.8803 -8.8709 -1.7593 -1.7574 4.8155 4.8192 6.7289 6.7400 7.3996 7.4013 7.8081 7.8093 10.2257 10.2573 10.4335 10.4544 11.1765 11.2464 12.1421 12.1587 12.4827 12.5108 13.1177 13.1995 14.7430 14.8513 16.0603 16.0638 17.1337 17.1452 k = 0.1064 0.1421 0.5319 ( 1716 PWs) bands (ev): -29.3435 -29.3435 -10.5088 -10.5058 -9.2121 -9.2080 -8.8760 -8.8673 -1.7581 -1.7564 4.8476 4.8513 6.7019 6.7119 7.3801 7.3811 7.8032 7.8041 10.2220 10.2532 10.4495 10.4688 11.1654 11.2331 12.1472 12.1622 12.5126 12.5393 13.1321 13.2167 14.6781 14.7878 15.9686 15.9717 17.1371 17.1474 k = 0.0993 0.1327 0.5319 ( 1716 PWs) bands (ev): -29.3439 -29.3439 -10.5087 -10.5059 -9.2120 -9.2082 -8.8719 -8.8639 -1.7570 -1.7553 4.8788 4.8825 6.6762 6.6851 7.3611 7.3616 7.7981 7.7985 10.2184 10.2489 10.4665 10.4841 11.1545 11.2195 12.1522 12.1657 12.5449 12.5700 13.1448 13.2318 14.6142 14.7247 15.8792 15.8819 17.1385 17.1476 k = 0.0922 0.1232 0.5319 ( 1712 PWs) bands (ev): -29.3442 -29.3442 -10.5086 -10.5061 -9.2118 -9.2083 -8.8681 -8.8606 -1.7558 -1.7543 4.9089 4.9126 6.6518 6.6598 7.3429 7.3429 7.7928 7.7929 10.2148 10.2444 10.4840 10.5000 11.1441 11.2058 12.1571 12.1691 12.5790 12.6025 13.1564 13.2451 14.5516 14.6623 15.7925 15.7948 17.1383 17.1462 k = 0.0851 0.1137 0.5319 ( 1712 PWs) bands (ev): -29.3446 -29.3446 -10.5085 -10.5062 -9.2117 -9.2085 -8.8644 -8.8576 -1.7547 -1.7533 4.9376 4.9413 6.6289 6.6360 7.3251 7.3255 7.7873 7.7874 10.2115 10.2399 10.5018 10.5162 11.1342 11.1922 12.1617 12.1725 12.6145 12.6362 13.1670 13.2568 14.4908 14.6009 15.7088 15.7107 17.1368 17.1438 k = 0.0780 0.1042 0.5319 ( 1720 PWs) bands (ev): -29.3449 -29.3449 -10.5084 -10.5063 -9.2115 -9.2086 -8.8610 -8.8549 -1.7536 -1.7524 4.9648 4.9684 6.6075 6.6137 7.3082 7.3090 7.7817 7.7820 10.2084 10.2353 10.5197 10.5325 11.1249 11.1789 12.1662 12.1757 12.6508 12.6707 13.1769 13.2670 14.4322 14.5409 15.6286 15.6302 17.1345 17.1407 k = 0.0709 0.0948 0.5319 ( 1716 PWs) bands (ev): -29.3452 -29.3452 -10.5083 -10.5065 -9.2113 -9.2087 -8.8579 -8.8523 -1.7526 -1.7514 4.9905 4.9939 6.5878 6.5932 7.2924 7.2935 7.7764 7.7769 10.2058 10.2309 10.5373 10.5485 11.1163 11.1661 12.1705 12.1789 12.6873 12.7054 13.1867 13.2760 14.3763 14.4827 15.5525 15.5537 17.1317 17.1370 k = 0.0638 0.0853 0.5319 ( 1712 PWs) bands (ev): -29.3454 -29.3454 -10.5083 -10.5066 -9.2112 -9.2088 -8.8550 -8.8500 -1.7515 -1.7505 5.0142 5.0175 6.5697 6.5744 7.2778 7.2791 7.7714 7.7720 10.2033 10.2265 10.5543 10.5641 11.1086 11.1539 12.1746 12.1819 12.7235 12.7398 13.1965 13.2839 14.3239 14.4266 15.4808 15.4817 17.1285 17.1331 k = 0.0567 0.0758 0.5319 ( 1712 PWs) bands (ev): -29.3457 -29.3457 -10.5082 -10.5068 -9.2110 -9.2089 -8.8523 -8.8479 -1.7506 -1.7497 5.0360 5.0391 6.5533 6.5573 7.2645 7.2658 7.7668 7.7674 10.2013 10.2224 10.5704 10.5788 11.1017 11.1423 12.1783 12.1847 12.7586 12.7731 13.2064 13.2906 14.2753 14.3732 15.4141 15.4148 17.1253 17.1292 k = 0.0496 0.0663 0.5319 ( 1716 PWs) bands (ev): -29.3459 -29.3459 -10.5082 -10.5069 -9.2108 -9.2090 -8.8499 -8.8461 -1.7498 -1.7490 5.0557 5.0585 6.5388 6.5422 7.2524 7.2538 7.7625 7.7632 10.1996 10.2184 10.5854 10.5925 11.0957 11.1316 12.1818 12.1872 12.7920 12.8047 13.2166 13.2961 14.2313 14.3229 15.3530 15.3536 17.1220 17.1254 k = 0.0426 0.0569 0.5319 ( 1712 PWs) bands (ev): -29.3461 -29.3461 -10.5081 -10.5070 -9.2107 -9.2091 -8.8478 -8.8445 -1.7490 -1.7483 5.0731 5.0756 6.5261 6.5289 7.2419 7.2432 7.7588 7.7595 10.1983 10.2147 10.5991 10.6049 11.0907 11.1217 12.1850 12.1896 12.8231 12.8340 13.2272 13.3004 14.1927 14.2762 15.2983 15.2987 17.1190 17.1218 k = 0.0355 0.0474 0.5319 ( 1708 PWs) bands (ev): -29.3462 -29.3462 -10.5081 -10.5072 -9.2105 -9.2092 -8.8459 -8.8432 -1.7483 -1.7478 5.0881 5.0902 6.5153 6.5176 7.2328 7.2340 7.7557 7.7562 10.1975 10.2114 10.6111 10.6158 11.0869 11.1128 12.1878 12.1915 12.8510 12.8602 13.2382 13.3031 14.1601 14.2337 15.2504 15.2507 17.1163 17.1186 k = 0.0284 0.0379 0.5319 ( 1700 PWs) bands (ev): -29.3464 -29.3464 -10.5080 -10.5073 -9.2103 -9.2093 -8.8443 -8.8422 -1.7477 -1.7473 5.1006 5.1024 6.5064 6.5082 7.2253 7.2264 7.7530 7.7536 10.1971 10.2083 10.6213 10.6250 11.0842 11.1050 12.1902 12.1932 12.8753 12.8827 13.2493 13.3042 14.1341 14.1961 15.2102 15.2104 17.1141 17.1158 k = 0.0213 0.0284 0.5319 ( 1698 PWs) bands (ev): -29.3465 -29.3465 -10.5079 -10.5074 -9.2102 -9.2094 -8.8431 -8.8414 -1.7472 -1.7469 5.1105 5.1119 6.4996 6.5009 7.2195 7.2203 7.7509 7.7513 10.1970 10.2055 10.6295 10.6322 11.0827 11.0983 12.1922 12.1944 12.8951 12.9007 13.2602 13.3033 14.1154 14.1639 15.1781 15.1782 17.1123 17.1136 k = 0.0142 0.0190 0.5319 ( 1696 PWs) bands (ev): -29.3465 -29.3465 -10.5079 -10.5075 -9.2100 -9.2095 -8.8421 -8.8410 -1.7469 -1.7467 5.1177 5.1186 6.4947 6.4956 7.2153 7.2159 7.7495 7.7498 10.1975 10.2032 10.6356 10.6373 11.0823 11.0927 12.1937 12.1952 12.9100 12.9138 13.2707 13.3004 14.1044 14.1377 15.1548 15.1548 17.1110 17.1118 k = 0.0071 0.0095 0.5319 ( 1698 PWs) bands (ev): -29.3466 -29.3466 -10.5078 -10.5076 -9.2099 -9.2096 -8.8414 -8.8408 -1.7466 -1.7465 5.1220 5.1225 6.4919 6.4923 7.2129 7.2131 7.7487 7.7488 10.1983 10.2011 10.6394 10.6403 11.0831 11.0883 12.1947 12.1954 12.9195 12.9214 13.2804 13.2956 14.1012 14.1181 15.1406 15.1406 17.1103 17.1107 k = 0.0000 0.0000 0.5319 ( 1702 PWs) bands (ev): -29.3466 -29.3466 -10.5077 -10.5077 -9.2097 -9.2097 -8.8410 -8.8410 -1.7465 -1.7465 5.1236 5.1236 6.4911 6.4911 7.2121 7.2121 7.7484 7.7484 10.1995 10.1995 10.6410 10.6410 11.0850 11.0850 12.1953 12.1953 12.9233 12.9233 13.2888 13.2888 14.1058 14.1058 15.1358 15.1358 17.1102 17.1102 k = 0.0000 0.0000 0.5319 ( 1702 PWs) bands (ev): -29.3466 -29.3466 -10.5077 -10.5077 -9.2097 -9.2097 -8.8410 -8.8410 -1.7465 -1.7465 5.1236 5.1236 6.4911 6.4911 7.2121 7.2121 7.7484 7.7484 10.1995 10.1995 10.6410 10.6410 11.0850 11.0850 12.1953 12.1953 12.9233 12.9233 13.2888 13.2888 14.1058 14.1058 15.1358 15.1358 17.1102 17.1102 k = 0.0000 0.0000 0.5201 ( 1696 PWs) bands (ev): -29.3466 -29.3466 -10.5080 -10.5069 -9.2103 -9.2086 -8.8411 -8.8410 -1.7481 -1.7468 5.1232 5.1232 6.4914 6.4924 7.2122 7.2151 7.7482 7.7485 10.1999 10.2008 10.6419 10.6425 11.0853 11.0858 12.1931 12.1936 12.9242 12.9253 13.2867 13.2887 14.1058 14.1062 15.1352 15.1372 17.1002 17.1091 k = 0.0000 0.0000 0.5083 ( 1700 PWs) bands (ev): -29.3467 -29.3467 -10.5078 -10.5055 -9.2103 -9.2070 -8.8414 -8.8412 -1.7516 -1.7488 5.1217 5.1218 6.4933 6.4953 7.2153 7.2211 7.7478 7.7484 10.2019 10.2037 10.6453 10.6465 11.0863 11.0874 12.1868 12.1878 12.9278 12.9301 13.2823 13.2864 14.1060 14.1068 15.1354 15.1393 17.0797 17.0968 k = 0.0000 0.0000 0.4965 ( 1704 PWs) bands (ev): -29.3469 -29.3469 -10.5070 -10.5036 -9.2098 -9.2048 -8.8418 -8.8416 -1.7569 -1.7528 5.1193 5.1194 6.4968 6.4998 7.2215 7.2301 7.7473 7.7482 10.2055 10.2082 10.6510 10.6528 11.0883 11.0899 12.1764 12.1779 12.9342 12.9377 13.2759 13.2818 14.1065 14.1077 15.1363 15.1421 17.0496 17.0740 k = 0.0000 0.0000 0.4846 ( 1708 PWs) bands (ev): -29.3472 -29.3472 -10.5058 -10.5013 -9.2087 -9.2021 -8.8424 -8.8421 -1.7639 -1.7585 5.1159 5.1160 6.5018 6.5057 7.2308 7.2422 7.7467 7.7480 10.2109 10.2145 10.6591 10.6615 11.0912 11.0933 12.1622 12.1642 12.9434 12.9482 13.2675 13.2752 14.1073 14.1089 15.1377 15.1454 17.0112 17.0416 k = 0.0000 0.0000 0.4728 ( 1708 PWs) bands (ev): -29.3475 -29.3475 -10.5040 -10.4984 -9.2070 -9.1989 -8.8432 -8.8428 -1.7727 -1.7659 5.1116 5.1117 6.5083 6.5131 7.2431 7.2573 7.7460 7.7477 10.2181 10.2225 10.6694 10.6723 11.0951 11.0976 12.1441 12.1467 12.9555 12.9616 13.2572 13.2664 14.1084 14.1104 15.1397 15.1490 16.9654 17.0007 k = 0.0000 0.0000 0.4610 ( 1708 PWs) bands (ev): -29.3479 -29.3479 -10.5017 -10.4950 -9.2048 -9.1951 -8.8441 -8.8437 -1.7832 -1.7752 5.1064 5.1066 6.5160 6.5217 7.2584 7.2753 7.7455 7.7475 10.2271 10.2323 10.6816 10.6851 11.0999 11.1028 12.1222 12.1253 12.9703 12.9779 13.2454 13.2558 14.1098 14.1123 15.1418 15.1528 16.9130 16.9524 k = 0.0000 0.0000 0.4492 ( 1708 PWs) bands (ev): -29.3484 -29.3484 -10.4990 -10.4912 -9.2020 -9.1908 -8.8452 -8.8447 -1.7953 -1.7861 5.1004 5.1006 6.5250 6.5315 7.2768 7.2963 7.7450 7.7475 10.2380 10.2440 10.6958 10.6998 11.1056 11.1088 12.0966 12.1003 12.9878 12.9971 13.2321 13.2434 14.1116 14.1145 15.1440 15.1565 16.8548 16.8976 k = 0.0000 0.0000 0.4374 ( 1710 PWs) bands (ev): -29.3490 -29.3490 -10.4958 -10.4870 -9.1987 -9.1860 -8.8464 -8.8458 -1.8090 -1.7986 5.0935 5.0937 6.5350 6.5422 7.2982 7.3202 7.7448 7.7476 10.2508 10.2576 10.7116 10.7161 11.1121 11.1156 12.0674 12.0718 13.0079 13.0191 13.2176 13.2294 14.1138 14.1171 15.1459 15.1598 16.7915 16.8372 k = 0.0000 0.0000 0.4255 ( 1704 PWs) bands (ev): -29.3496 -29.3496 -10.4921 -10.4824 -9.1947 -9.1806 -8.8478 -8.8471 -1.8242 -1.8127 5.0858 5.0861 6.5459 6.5537 7.3226 7.3469 7.7450 7.7483 10.2656 10.2731 10.7290 10.7339 11.1195 11.1231 12.0350 12.0401 13.0303 13.0440 13.2026 13.2140 14.1164 14.1201 15.1473 15.1624 16.7240 16.7720 k = 0.0000 0.0000 0.4137 ( 1708 PWs) bands (ev): -29.3503 -29.3502 -10.4881 -10.4775 -9.1902 -9.1748 -8.8493 -8.8485 -1.8409 -1.8283 5.0774 5.0777 6.5574 6.5657 7.3499 7.3765 7.7457 7.7495 10.2824 10.2906 10.7476 10.7530 11.1276 11.1312 11.9991 12.0051 13.0542 13.0716 13.1877 13.1976 14.1194 14.1236 15.1476 15.1638 16.6530 16.7030 k = 0.0000 0.0000 0.4019 ( 1712 PWs) bands (ev): -29.3510 -29.3510 -10.4838 -10.4722 -9.1852 -9.1685 -8.8509 -8.8501 -1.8590 -1.8453 5.0683 5.0686 6.5695 6.5781 7.3801 7.4087 7.7471 7.7514 10.3012 10.3101 10.7672 10.7731 11.1365 11.1399 11.9603 11.9673 13.0777 13.1014 13.1750 13.1806 14.1230 14.1276 15.1465 15.1637 16.5796 16.6313 k = 0.0000 0.0000 0.3901 ( 1708 PWs) bands (ev): -29.3518 -29.3518 -10.4790 -10.4667 -9.1796 -9.1616 -8.8526 -8.8517 -1.8783 -1.8637 5.0587 5.0590 6.5818 6.5907 7.4131 7.4434 7.7496 7.7543 10.3221 10.3317 10.7878 10.7942 11.1461 11.1491 11.9186 11.9268 13.0948 13.1301 13.1665 13.1708 14.1271 14.1322 15.1435 15.1615 16.5049 16.5581 k = 0.0000 0.0000 0.3783 ( 1708 PWs) bands (ev): -29.3526 -29.3526 -10.4740 -10.4609 -9.1734 -9.1543 -8.8544 -8.8535 -1.8987 -1.8833 5.0484 5.0488 6.5941 6.6032 7.4487 7.4805 7.7533 7.7584 10.3451 10.3553 10.8090 10.8159 11.1564 11.1587 11.8742 11.8840 13.0959 13.1330 13.1803 13.1846 14.1317 14.1374 15.1380 15.1566 16.4302 16.4847 k = 0.0000 0.0000 0.3664 ( 1712 PWs) bands (ev): -29.3535 -29.3535 -10.4688 -10.4549 -9.1666 -9.1465 -8.8564 -8.8553 -1.9203 -1.9041 5.0376 5.0380 6.6064 6.6154 7.4866 7.5195 7.7587 7.7639 10.3700 10.3808 10.8307 10.8381 11.1673 11.1685 11.8274 11.8391 13.0838 13.1154 13.2136 13.2164 14.1370 14.1432 15.1294 15.1483 16.3570 16.4124 k = 0.0000 0.0000 0.3546 ( 1704 PWs) bands (ev): -29.3544 -29.3544 -10.4632 -10.4487 -9.1593 -9.1383 -8.8584 -8.8573 -1.9428 -1.9258 5.0264 5.0267 6.6182 6.6271 7.5267 7.5600 7.7663 7.7713 10.3971 10.4085 10.8528 10.8608 11.1785 11.1788 11.7783 11.7923 13.0663 13.0950 13.2503 13.2575 14.1431 14.1499 15.1168 15.1359 16.2868 16.3429 k = 0.0000 0.0000 0.3428 ( 1708 PWs) bands (ev): -29.3554 -29.3554 -10.4575 -10.4424 -9.1515 -9.1296 -8.8605 -8.8593 -1.9662 -1.9486 5.0147 5.0151 6.6296 6.6382 7.5682 7.6011 7.7771 7.7812 10.4260 10.4381 10.8750 10.8836 11.1881 11.1906 11.7270 11.7442 13.0464 13.0735 13.2911 13.3014 14.1500 14.1574 15.0996 15.1185 16.2211 16.2776 k = 0.0000 0.0000 0.3310 ( 1708 PWs) bands (ev): -29.3564 -29.3564 -10.4517 -10.4361 -9.1432 -9.1206 -8.8627 -8.8614 -1.9903 -1.9721 5.0027 5.0031 6.6401 6.6483 7.6104 7.6413 7.7925 7.7945 10.4569 10.4695 10.8971 10.9064 11.1973 11.2030 11.6740 11.6952 13.0255 13.0515 13.3350 13.3478 14.1578 14.1659 15.0771 15.0954 16.1615 16.2180 k = 0.0000 0.0000 0.3192 ( 1718 PWs) bands (ev): -29.3574 -29.3574 -10.4458 -10.4297 -9.1344 -9.1111 -8.8649 -8.8636 -2.0150 -1.9964 4.9904 4.9908 6.6498 6.6575 7.6517 7.6784 7.8125 7.8148 10.4894 10.5027 10.9191 10.9291 11.2053 11.2155 11.6192 11.6458 13.0039 13.0291 13.3813 13.3963 14.1668 14.1755 15.0486 15.0659 16.1091 16.1653 k = 0.0000 0.0000 0.3073 ( 1714 PWs) bands (ev): -29.3584 -29.3584 -10.4397 -10.4233 -9.1251 -9.1013 -8.8672 -8.8658 -2.0403 -2.0213 4.9780 4.9784 6.6585 6.6655 7.6904 7.7103 7.8372 7.8461 10.5237 10.5376 10.9408 10.9517 11.2117 11.2283 11.5631 11.5973 12.9819 13.0066 13.4297 13.4466 14.1771 14.1865 15.0140 15.0297 16.0652 16.1206 k = 0.0000 0.0000 0.2955 ( 1714 PWs) bands (ev): -29.3595 -29.3595 -10.4336 -10.4170 -9.1153 -9.0912 -8.8695 -8.8680 -2.0659 -2.0467 4.9654 4.9658 6.6660 6.6724 7.7243 7.7363 7.8704 7.8869 10.5595 10.5741 10.9620 10.9739 11.2151 11.2410 11.5062 11.5507 12.9598 12.9839 13.4795 13.4982 14.1889 14.1990 14.9730 14.9868 16.0302 16.0845 k = 0.0000 0.0000 0.2837 ( 1718 PWs) bands (ev): -29.3606 -29.3606 -10.4276 -10.4107 -9.1052 -9.0809 -8.8719 -8.8703 -2.0918 -2.0724 4.9527 4.9531 6.6723 6.6779 7.7529 7.7580 7.9127 7.9354 10.5967 10.6119 10.9826 10.9957 11.2135 11.2528 11.4490 11.5082 12.9375 12.9611 13.5303 13.5509 14.2024 14.2132 14.9262 14.9378 16.0043 16.0572 k = 0.0000 0.0000 0.2719 ( 1722 PWs) bands (ev): -29.3617 -29.3617 -10.4215 -10.4046 -9.0947 -9.0703 -8.8742 -8.8726 -2.1179 -2.0983 4.9400 4.9404 6.6773 6.6821 7.7773 7.7776 7.9626 7.9896 10.6351 10.6509 11.0023 11.0171 11.2045 11.2619 11.3936 11.4725 12.9152 12.9384 13.5817 13.6039 14.2180 14.2296 14.8741 14.8834 15.9871 16.0386 k = 0.0000 0.0000 0.2601 ( 1722 PWs) bands (ev): -29.3628 -29.3628 -10.4155 -10.3986 -9.0839 -9.0595 -8.8766 -8.8749 -2.1440 -2.1244 4.9274 4.9278 6.6810 6.6851 7.7963 7.7993 8.0183 8.0477 10.6744 10.6909 11.0209 11.0379 11.1859 11.2609 11.3476 11.4464 12.8930 12.9158 13.6331 13.6569 14.2362 14.2483 14.8177 14.8248 15.9781 16.0282 k = 0.0000 0.0000 0.2482 ( 1722 PWs) bands (ev): -29.3638 -29.3638 -10.4096 -10.3927 -9.0729 -9.0486 -8.8790 -8.8771 -2.1699 -2.1504 4.9149 4.9152 6.6834 6.6868 7.8149 7.8202 8.0781 8.1089 10.7145 10.7315 11.0371 11.0579 11.1578 11.2319 11.3293 11.4308 12.8711 12.8935 13.6838 13.7090 14.2573 14.2698 14.7582 14.7630 15.9765 16.0254 k = 0.0000 0.0000 0.2364 ( 1727 PWs) bands (ev): -29.3649 -29.3649 -10.4038 -10.3871 -9.0616 -9.0376 -8.8813 -8.8794 -2.1957 -2.1764 4.9025 4.9029 6.6846 6.6873 7.8338 7.8406 8.1411 8.1725 10.7550 10.7722 11.0471 11.0763 11.1257 11.1807 11.3334 11.4245 12.8494 12.8714 13.7332 13.7594 14.2817 14.2944 14.6965 14.6993 15.9816 16.0294 k = 0.0000 0.0000 0.2246 ( 1727 PWs) bands (ev): -29.3660 -29.3660 -10.3981 -10.3817 -9.0501 -9.0266 -8.8836 -8.8816 -2.2211 -2.2021 4.8904 4.8907 6.6847 6.6867 7.8532 7.8610 8.2067 8.2380 10.7955 10.8123 11.0358 11.0866 11.1080 11.1302 11.3443 11.4249 12.8281 12.8496 13.7807 13.8076 14.3099 14.3223 14.6337 14.6348 15.9927 16.0397 k = 0.0000 0.0000 0.2128 ( 1729 PWs) bands (ev): -29.3670 -29.3670 -10.3926 -10.3765 -9.0386 -9.0156 -8.8859 -8.8837 -2.2460 -2.2274 4.8785 4.8789 6.6837 6.6851 7.8730 7.8815 8.2742 8.3051 10.8352 10.8493 10.9988 11.0485 11.1134 11.1254 11.3572 11.4295 12.8072 12.8283 13.8256 13.8527 14.3419 14.3537 14.5704 14.5709 16.0092 16.0556 k = 0.0000 0.0000 0.2010 ( 1721 PWs) bands (ev): -29.3680 -29.3680 -10.3873 -10.3716 -9.0271 -9.0048 -8.8881 -8.8858 -2.2704 -2.2522 4.8671 4.8674 6.6818 6.6826 7.8933 7.9021 8.3435 8.3735 10.8722 10.8726 10.9635 10.9901 11.1269 11.1417 11.3710 11.4369 12.7868 12.8076 13.8675 13.8943 14.3776 14.3882 14.5076 14.5094 16.0306 16.0767 k = 0.0000 0.0000 0.1891 ( 1721 PWs) bands (ev): -29.3690 -29.3690 -10.3822 -10.3670 -9.0156 -8.9941 -8.8903 -8.8878 -2.2940 -2.2763 4.8560 4.8563 6.6790 6.6794 7.9137 7.9227 8.4141 8.4430 10.8518 10.8893 10.9476 10.9668 11.1423 11.1599 11.3850 11.4457 12.7670 12.7873 13.9062 13.9321 14.4121 14.4189 14.4534 14.4540 16.0564 16.1024 k = 0.0000 0.0000 0.1773 ( 1715 PWs) bands (ev): -29.3700 -29.3700 -10.3773 -10.3626 -9.0042 -8.9838 -8.8923 -8.8897 -2.3168 -2.2998 4.8453 4.8456 6.6756 6.6756 7.9343 7.9432 8.4858 8.5135 10.8003 10.8437 10.9653 10.9969 11.1587 11.1788 11.3991 11.4555 12.7479 12.7677 13.9415 13.9662 14.3801 14.3831 14.4673 14.4738 16.0864 16.1325 k = 0.0000 0.0000 0.1655 ( 1723 PWs) bands (ev): -29.3709 -29.3709 -10.3726 -10.3586 -8.9930 -8.9738 -8.8943 -8.8915 -2.3387 -2.3224 4.8351 4.8354 6.6712 6.6716 7.9547 7.9635 8.5583 8.5845 10.7407 10.7800 10.9982 11.0313 11.1760 11.1982 11.4129 11.4655 12.7295 12.7487 13.9737 13.9968 14.3236 14.3277 14.5117 14.5165 16.1203 16.1666 k = 0.0000 0.0000 0.1537 ( 1723 PWs) bands (ev): -29.3718 -29.3718 -10.3682 -10.3549 -8.9821 -8.9642 -8.8963 -8.8931 -2.3596 -2.3440 4.8254 4.8257 6.6666 6.6673 7.9749 7.9833 8.6314 8.6561 10.6784 10.7138 11.0308 11.0644 11.1946 11.2183 11.4265 11.4757 12.7120 12.7306 14.0029 14.0243 14.2691 14.2737 14.5588 14.5614 16.1579 16.2045 k = 0.0000 0.0000 0.1418 ( 1723 PWs) bands (ev): -29.3726 -29.3726 -10.3640 -10.3515 -8.9715 -8.9551 -8.8981 -8.8946 -2.3793 -2.3646 4.8163 4.8166 6.6617 6.6626 7.9945 8.0026 8.7049 8.7278 10.6146 10.6467 11.0610 11.0943 11.2151 11.2393 11.4398 11.4857 12.6954 12.7133 14.0296 14.0490 14.2176 14.2225 14.6065 14.6070 16.1989 16.2461 k = 0.0000 0.0000 0.1300 ( 1725 PWs) bands (ev): -29.3734 -29.3734 -10.3601 -10.3484 -8.9614 -8.9466 -8.8998 -8.8959 -2.3977 -2.3840 4.8078 4.8080 6.6567 6.6578 8.0134 8.0211 8.7785 8.7996 10.5501 10.5791 11.0880 11.1198 11.2378 11.2613 11.4526 11.4952 12.6797 12.6968 14.0540 14.0714 14.1694 14.1746 14.6519 14.6534 16.2432 16.2910 k = 0.0000 0.0000 0.1182 ( 1721 PWs) bands (ev): -29.3741 -29.3741 -10.3564 -10.3456 -8.9517 -8.9389 -8.9014 -8.8970 -2.4149 -2.4022 4.7999 4.8001 6.6518 6.6529 8.0315 8.0386 8.8519 8.8710 10.4854 10.5116 11.1116 11.1407 11.2626 11.2840 11.4651 11.5044 12.6652 12.6814 14.0764 14.0916 14.1249 14.1304 14.6951 14.6984 16.2907 16.3391 k = 0.0000 0.0000 0.1064 ( 1725 PWs) bands (ev): -29.3748 -29.3748 -10.3531 -10.3432 -8.9427 -8.9319 -8.9029 -8.8978 -2.4306 -2.4189 4.7926 4.7928 6.6470 6.6482 8.0485 8.0550 8.9248 8.9419 10.4206 10.4443 11.1316 11.1573 11.2885 11.3071 11.4767 11.5126 12.6518 12.6669 14.0842 14.0881 14.0970 14.1119 14.7358 14.7405 16.3412 16.3903 k = 0.0000 0.0000 0.0946 ( 1721 PWs) bands (ev): -29.3754 -29.3754 -10.3500 -10.3411 -8.9342 -8.9260 -8.9042 -8.8982 -2.4448 -2.4343 4.7860 4.7862 6.6424 6.6436 8.0643 8.0701 8.9967 9.0118 10.3564 10.3776 11.1485 11.1705 11.3145 11.3300 11.4879 11.5202 12.6397 12.6536 14.0476 14.0519 14.1159 14.1284 14.7731 14.7788 16.3945 16.4443 k = 0.0000 0.0000 0.0827 ( 1721 PWs) bands (ev): -29.3759 -29.3759 -10.3472 -10.3393 -8.9265 -8.9211 -8.9054 -8.8982 -2.4574 -2.4481 4.7802 4.7804 6.6382 6.6393 8.0786 8.0838 9.0672 9.0801 10.2932 10.3119 11.1626 11.1810 11.3394 11.3519 11.4982 11.5268 12.6289 12.6415 14.0150 14.0191 14.1332 14.1439 14.8065 14.8128 16.4503 16.5007 k = 0.0000 0.0000 0.0709 ( 1725 PWs) bands (ev): -29.3764 -29.3764 -10.3447 -10.3378 -8.9196 -8.9174 -8.9064 -8.8976 -2.4684 -2.4603 4.7751 4.7752 6.6344 6.6354 8.0914 8.0959 9.1354 9.1463 10.2316 10.2479 11.1741 11.1892 11.3623 11.3722 11.5076 11.5324 12.6196 12.6307 13.9867 13.9903 14.1487 14.1577 14.8356 14.8420 16.5083 16.5592 k = 0.0000 0.0000 0.0591 ( 1725 PWs) bands (ev): -29.3768 -29.3768 -10.3424 -10.3367 -8.9149 -8.9136 -8.9072 -8.8966 -2.4777 -2.4709 4.7707 4.7708 6.6311 6.6320 8.1025 8.1063 9.2004 9.2092 10.1727 10.1866 11.1836 11.1957 11.3828 11.3903 11.5161 11.5369 12.6117 12.6212 13.9626 13.9658 14.1624 14.1698 14.8601 14.8662 16.5682 16.6193 k = 0.0000 0.0000 0.0473 ( 1719 PWs) bands (ev): -29.3772 -29.3772 -10.3405 -10.3359 -8.9134 -8.9098 -8.9064 -8.8954 -2.4852 -2.4797 4.7672 4.7673 6.6283 6.6290 8.1118 8.1148 9.2606 9.2674 10.1180 10.1294 11.1914 11.2007 11.4001 11.4057 11.5236 11.5404 12.6053 12.6131 13.9430 13.9456 14.1741 14.1800 14.8800 14.8855 16.6292 16.6798 k = 0.0000 0.0000 0.0355 ( 1719 PWs) bands (ev): -29.3774 -29.3774 -10.3388 -10.3354 -8.9124 -8.9096 -8.9028 -8.8944 -2.4910 -2.4868 4.7644 4.7644 6.6261 6.6267 8.1193 8.1215 9.3138 9.3186 10.0697 10.0785 11.1973 11.2041 11.4140 11.4179 11.5300 11.5426 12.6006 12.6065 13.9278 13.9298 14.1836 14.1880 14.8954 14.8998 16.6901 16.7389 k = 0.0000 0.0000 0.0236 ( 1719 PWs) bands (ev): -29.3776 -29.3776 -10.3375 -10.3352 -8.9118 -8.9101 -8.8993 -8.8939 -2.4949 -2.4921 4.7624 4.7624 6.6245 6.6249 8.1247 8.1262 9.3568 9.3599 10.0308 10.0369 11.2018 11.2062 11.4243 11.4267 11.5352 11.5437 12.5975 12.6015 13.9169 13.9183 14.1908 14.1937 14.9064 14.9096 16.7487 16.7919 k = 0.0000 0.0000 0.0118 ( 1715 PWs) bands (ev): -29.3777 -29.3777 -10.3365 -10.3353 -8.9114 -8.9106 -8.8967 -8.8940 -2.4970 -2.4956 4.7612 4.7612 6.6236 6.6238 8.1282 8.1289 9.3855 9.3870 10.0055 10.0086 11.2049 11.2071 11.4308 11.4320 11.5393 11.5435 12.5960 12.5980 13.9106 13.9113 14.1955 14.1969 14.9133 14.9149 16.7998 16.8284 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3778 -29.3778 -10.3357 -10.3357 -8.9110 -8.9110 -8.8949 -8.8949 -2.4972 -2.4972 4.7608 4.7608 6.6234 6.6234 8.1296 8.1296 9.3961 9.3961 9.9975 9.9975 11.2066 11.2066 11.4333 11.4333 11.5420 11.5420 12.5962 12.5962 13.9087 13.9087 14.1975 14.1975 14.9162 14.9162 16.8317 16.8317 k = 0.0000 0.0000 0.0000 ( 1715 PWs) bands (ev): -29.3778 -29.3778 -10.3357 -10.3357 -8.9110 -8.9110 -8.8949 -8.8949 -2.4972 -2.4972 4.7608 4.7608 6.6234 6.6234 8.1296 8.1296 9.3961 9.3961 9.9975 9.9975 11.2066 11.2066 11.4333 11.4333 11.5420 11.5420 12.5962 12.5962 13.9087 13.9087 14.1975 14.1975 14.9162 14.9162 16.8317 16.8317 k =-0.0094 0.0071 0.0000 ( 1717 PWs) bands (ev): -29.3777 -29.3777 -10.3358 -10.3358 -8.9112 -8.9112 -8.8950 -8.8950 -2.4963 -2.4963 4.7613 4.7613 6.6197 6.6197 8.1329 8.1329 9.3950 9.3950 9.9983 9.9983 11.2055 11.2055 11.4324 11.4324 11.5421 11.5421 12.5941 12.5941 13.9086 13.9086 14.1977 14.1977 14.9162 14.9162 16.8348 16.8348 k =-0.0189 0.0141 0.0000 ( 1717 PWs) bands (ev): -29.3777 -29.3777 -10.3362 -10.3362 -8.9118 -8.9118 -8.8953 -8.8953 -2.4938 -2.4938 4.7630 4.7630 6.6086 6.6086 8.1425 8.1425 9.3916 9.3916 10.0007 10.0007 11.2022 11.2022 11.4298 11.4298 11.5424 11.5424 12.5879 12.5879 13.9084 13.9084 14.1986 14.1986 14.9163 14.9163 16.8441 16.8441 k =-0.0283 0.0212 0.0000 ( 1717 PWs) bands (ev): -29.3775 -29.3775 -10.3368 -10.3368 -8.9128 -8.9128 -8.8958 -8.8958 -2.4895 -2.4895 4.7658 4.7658 6.5905 6.5905 8.1582 8.1582 9.3860 9.3860 10.0045 10.0045 11.1968 11.1968 11.4255 11.4255 11.5429 11.5429 12.5776 12.5776 13.9082 13.9082 14.2000 14.2000 14.9166 14.9166 16.8594 16.8594 k =-0.0377 0.0282 0.0000 ( 1717 PWs) bands (ev): -29.3774 -29.3774 -10.3376 -10.3376 -8.9143 -8.9143 -8.8965 -8.8965 -2.4835 -2.4835 4.7696 4.7696 6.5660 6.5660 8.1792 8.1792 9.3782 9.3782 10.0099 10.0099 11.1892 11.1892 11.4194 11.4194 11.5438 11.5438 12.5631 12.5631 13.9083 13.9083 14.2022 14.2022 14.9169 14.9169 16.8804 16.8804 k =-0.0472 0.0353 0.0000 ( 1717 PWs) bands (ev): -29.3771 -29.3771 -10.3386 -10.3386 -8.9164 -8.9164 -8.8972 -8.8972 -2.4759 -2.4759 4.7746 4.7746 6.5359 6.5359 8.2049 8.2049 9.3681 9.3681 10.0167 10.0167 11.1795 11.1795 11.4116 11.4116 11.5452 11.5452 12.5445 12.5445 13.9088 13.9088 14.2052 14.2052 14.9173 14.9173 16.9064 16.9064 k =-0.0566 0.0424 0.0000 ( 1723 PWs) bands (ev): -29.3769 -29.3769 -10.3399 -10.3399 -8.9189 -8.9189 -8.8979 -8.8979 -2.4666 -2.4666 4.7806 4.7806 6.5008 6.5008 8.2344 8.2344 9.3557 9.3557 10.0248 10.0248 11.1678 11.1678 11.4020 11.4020 11.5469 11.5469 12.5217 12.5217 13.9103 13.9103 14.2091 14.2091 14.9179 14.9179 16.9341 16.9341 k =-0.0660 0.0494 0.0000 ( 1715 PWs) bands (ev): -29.3766 -29.3766 -10.3414 -10.3414 -8.9220 -8.9220 -8.8987 -8.8987 -2.4557 -2.4557 4.7877 4.7877 6.4617 6.4617 8.2669 8.2669 9.3412 9.3412 10.0342 10.0342 11.1542 11.1542 11.3907 11.3907 11.5497 11.5497 12.4951 12.4951 13.9129 13.9129 14.2141 14.2141 14.9185 14.9185 16.9430 16.9430 k =-0.0755 0.0565 0.0000 ( 1719 PWs) bands (ev): -29.3762 -29.3762 -10.3431 -10.3431 -8.9257 -8.9257 -8.8994 -8.8994 -2.4433 -2.4433 4.7958 4.7958 6.4192 6.4192 8.3015 8.3015 9.3244 9.3244 10.0448 10.0448 11.1386 11.1386 11.3776 11.3776 11.5532 11.5532 12.4645 12.4645 13.9171 13.9171 14.2202 14.2202 14.9192 14.9192 16.9150 16.9150 k =-0.0849 0.0635 0.0000 ( 1723 PWs) bands (ev): -29.3758 -29.3758 -10.3451 -10.3451 -8.9298 -8.9298 -8.9002 -8.9002 -2.4294 -2.4294 4.8048 4.8048 6.3740 6.3740 8.3373 8.3373 9.3055 9.3055 10.0564 10.0564 11.1213 11.1213 11.3628 11.3628 11.5576 11.5576 12.4303 12.4303 13.9231 13.9231 14.2278 14.2278 14.9200 14.9200 16.8754 16.8754 k =-0.0943 0.0706 0.0000 ( 1731 PWs) bands (ev): -29.3754 -29.3754 -10.3472 -10.3472 -8.9345 -8.9345 -8.9009 -8.9009 -2.4140 -2.4140 4.8149 4.8149 6.3269 6.3269 8.3737 8.3737 9.2845 9.2845 10.0689 10.0689 11.1022 11.1022 11.3462 11.3462 11.5633 11.5633 12.3929 12.3929 13.9314 13.9314 14.2369 14.2369 14.9208 14.9208 16.8314 16.8314 k =-0.1038 0.0777 0.0000 ( 1731 PWs) bands (ev): -29.3749 -29.3749 -10.3496 -10.3496 -8.9397 -8.9397 -8.9017 -8.9017 -2.3973 -2.3973 4.8259 4.8259 6.2784 6.2784 8.4100 8.4100 9.2615 9.2615 10.0822 10.0822 11.0817 11.0817 11.3280 11.3280 11.5703 11.5703 12.3524 12.3524 13.9421 13.9421 14.2478 14.2478 14.9217 14.9217 16.7845 16.7845 k =-0.1132 0.0847 0.0000 ( 1735 PWs) bands (ev): -29.3744 -29.3744 -10.3521 -10.3521 -8.9452 -8.9452 -8.9024 -8.9024 -2.3793 -2.3793 4.8379 4.8379 6.2290 6.2290 8.4454 8.4454 9.2364 9.2364 10.0960 10.0960 11.0597 11.0597 11.3081 11.3081 11.5787 11.5787 12.3095 12.3095 13.9554 13.9554 14.2606 14.2606 14.9228 14.9228 16.7357 16.7357 k =-0.1226 0.0918 0.0000 ( 1731 PWs) bands (ev): -29.3738 -29.3738 -10.3548 -10.3548 -8.9512 -8.9512 -8.9031 -8.9031 -2.3600 -2.3600 4.8508 4.8508 6.1792 6.1792 8.4795 8.4795 9.2095 9.2095 10.1103 10.1103 11.0364 11.0364 11.2865 11.2865 11.5889 11.5889 12.2646 12.2646 13.9716 13.9716 14.2754 14.2754 14.9239 14.9239 16.6854 16.6854 k =-0.1321 0.0989 0.0000 ( 1729 PWs) bands (ev): -29.3732 -29.3732 -10.3577 -10.3577 -8.9576 -8.9576 -8.9038 -8.9038 -2.3395 -2.3395 4.8646 4.8646 6.1294 6.1294 8.5115 8.5115 9.1807 9.1807 10.1249 10.1249 11.0119 11.0119 11.2633 11.2633 11.6008 11.6008 12.2184 12.2184 13.9906 13.9906 14.2923 14.2923 14.9250 14.9250 16.6343 16.6343 k =-0.1415 0.1059 0.0000 ( 1737 PWs) bands (ev): -29.3726 -29.3726 -10.3608 -10.3608 -8.9643 -8.9643 -8.9046 -8.9046 -2.3180 -2.3180 4.8791 4.8791 6.0800 6.0800 8.5409 8.5409 9.1502 9.1502 10.1393 10.1393 10.9863 10.9863 11.2386 11.2386 11.6143 11.6143 12.1713 12.1713 14.0126 14.0126 14.3114 14.3114 14.9262 14.9262 16.5827 16.5827 k =-0.1509 0.1130 0.0000 ( 1733 PWs) bands (ev): -29.3720 -29.3720 -10.3640 -10.3640 -8.9713 -8.9713 -8.9053 -8.9053 -2.2954 -2.2954 4.8945 4.8945 6.0313 6.0313 8.5672 8.5672 9.1183 9.1183 10.1539 10.1539 10.9598 10.9598 11.2124 11.2124 11.6298 11.6298 12.1242 12.1242 14.0377 14.0377 14.3329 14.3329 14.9276 14.9276 16.5310 16.5310 k =-0.1604 0.1200 0.0000 ( 1728 PWs) bands (ev): -29.3713 -29.3713 -10.3674 -10.3674 -8.9785 -8.9785 -8.9060 -8.9060 -2.2720 -2.2720 4.9105 4.9105 5.9836 5.9836 8.5899 8.5899 9.0848 9.0848 10.1683 10.1683 10.9325 10.9325 11.1849 11.1849 11.6472 11.6472 12.0776 12.0776 14.0659 14.0659 14.3568 14.3568 14.9289 14.9289 16.4797 16.4797 k =-0.1698 0.1271 0.0000 ( 1728 PWs) bands (ev): -29.3706 -29.3706 -10.3709 -10.3709 -8.9860 -8.9860 -8.9067 -8.9067 -2.2478 -2.2478 4.9272 4.9272 5.9371 5.9371 8.6085 8.6085 9.0501 9.0501 10.1822 10.1822 10.9044 10.9044 11.1560 11.1560 11.6664 11.6664 12.0322 12.0322 14.0971 14.0971 14.3831 14.3831 14.9303 14.9303 16.4289 16.4289 k =-0.1792 0.1342 0.0000 ( 1728 PWs) bands (ev): -29.3698 -29.3698 -10.3745 -10.3745 -8.9937 -8.9937 -8.9074 -8.9074 -2.2228 -2.2228 4.9446 4.9446 5.8922 5.8922 8.6226 8.6226 9.0143 9.0143 10.1956 10.1956 10.8758 10.8758 11.1260 11.1260 11.6874 11.6874 11.9887 11.9887 14.1313 14.1313 14.4119 14.4119 14.9318 14.9318 16.3791 16.3791 k =-0.1887 0.1412 0.0000 ( 1728 PWs) bands (ev): -29.3691 -29.3691 -10.3783 -10.3783 -9.0016 -9.0016 -8.9081 -8.9081 -2.1972 -2.1972 4.9625 4.9625 5.8490 5.8490 8.6317 8.6317 8.9775 8.9775 10.2085 10.2085 10.8467 10.8467 11.0949 11.0949 11.7100 11.7100 11.9478 11.9478 14.1684 14.1684 14.4431 14.4431 14.9333 14.9333 16.3306 16.3306 k =-0.1981 0.1483 0.0000 ( 1726 PWs) bands (ev): -29.3683 -29.3683 -10.3821 -10.3821 -9.0095 -9.0095 -8.9087 -8.9087 -2.1711 -2.1711 4.9810 4.9810 5.8077 5.8077 8.6354 8.6354 8.9400 8.9400 10.2207 10.2207 10.8175 10.8175 11.0628 11.0628 11.7340 11.7340 11.9102 11.9102 14.2084 14.2084 14.4768 14.4768 14.9348 14.9348 16.2835 16.2835 k =-0.2075 0.1553 0.0000 ( 1726 PWs) bands (ev): -29.3675 -29.3675 -10.3861 -10.3861 -9.0176 -9.0176 -8.9094 -8.9094 -2.1446 -2.1446 4.9999 4.9999 5.7685 5.7685 8.6335 8.6335 8.9018 8.9018 10.2323 10.2323 10.7879 10.7879 11.0299 11.0299 11.7582 11.7582 11.8774 11.8774 14.2512 14.2512 14.5128 14.5128 14.9364 14.9364 16.2382 16.2382 k =-0.2170 0.1624 0.0000 ( 1722 PWs) bands (ev): -29.3667 -29.3667 -10.3901 -10.3901 -9.0258 -9.0258 -8.9101 -8.9101 -2.1177 -2.1177 5.0192 5.0192 5.7315 5.7315 8.6258 8.6258 8.8631 8.8631 10.2433 10.2433 10.7583 10.7583 10.9963 10.9963 11.7791 11.7791 11.8532 11.8532 14.2967 14.2967 14.5512 14.5512 14.9380 14.9380 16.1949 16.1949 k =-0.2264 0.1695 0.0000 ( 1722 PWs) bands (ev): -29.3659 -29.3659 -10.3942 -10.3942 -9.0340 -9.0340 -8.9107 -8.9107 -2.0907 -2.0907 5.0389 5.0389 5.6969 5.6969 8.6119 8.6119 8.8241 8.8241 10.2537 10.2537 10.7287 10.7287 10.9621 10.9621 11.7842 11.7842 11.8501 11.8501 14.3447 14.3447 14.5919 14.5919 14.9397 14.9397 16.1539 16.1539 k =-0.2358 0.1765 0.0000 ( 1718 PWs) bands (ev): -29.3651 -29.3651 -10.3983 -10.3983 -9.0422 -9.0422 -8.9113 -8.9113 -2.0635 -2.0635 5.0589 5.0589 5.6649 5.6649 8.5919 8.5919 8.7850 8.7850 10.2637 10.2637 10.6992 10.6992 10.9275 10.9275 11.7709 11.7709 11.8710 11.8710 14.3951 14.3951 14.6348 14.6348 14.9413 14.9413 16.1154 16.1154 k =-0.2453 0.1836 0.0000 ( 1722 PWs) bands (ev): -29.3643 -29.3643 -10.4024 -10.4024 -9.0504 -9.0504 -8.9119 -8.9119 -2.0363 -2.0363 5.0790 5.0790 5.6355 5.6355 8.5658 8.5658 8.7458 8.7458 10.2732 10.2732 10.6700 10.6700 10.8926 10.8926 11.7535 11.7535 11.9011 11.9011 14.4477 14.4477 14.6796 14.6796 14.9430 14.9430 16.0797 16.0797 k =-0.2547 0.1906 0.0000 ( 1718 PWs) bands (ev): -29.3634 -29.3634 -10.4066 -10.4066 -9.0585 -9.0585 -8.9125 -8.9125 -2.0092 -2.0092 5.0993 5.0993 5.6089 5.6089 8.5337 8.5337 8.7067 8.7067 10.2824 10.2824 10.6412 10.6412 10.8575 10.8575 11.7378 11.7378 11.9348 11.9348 14.5021 14.5021 14.7264 14.7264 14.9448 14.9448 16.0473 16.0473 k =-0.2642 0.1977 0.0000 ( 1714 PWs) bands (ev): -29.3626 -29.3626 -10.4108 -10.4108 -9.0666 -9.0666 -8.9130 -8.9130 -1.9823 -1.9823 5.1197 5.1197 5.5851 5.5851 8.4959 8.4959 8.6679 8.6679 10.2913 10.2913 10.6129 10.6129 10.8224 10.8224 11.7246 11.7246 11.9707 11.9707 14.5581 14.5581 14.7749 14.7749 14.9466 14.9466 16.0183 16.0183 k =-0.2736 0.2048 0.0000 ( 1710 PWs) bands (ev): -29.3618 -29.3618 -10.4149 -10.4149 -9.0745 -9.0745 -8.9135 -8.9135 -1.9557 -1.9557 5.1402 5.1402 5.5641 5.5641 8.4527 8.4527 8.6296 8.6296 10.2999 10.2999 10.5851 10.5851 10.7874 10.7874 11.7142 11.7142 12.0082 12.0082 14.6153 14.6153 14.8248 14.8248 14.9486 14.9486 15.9931 15.9931 k =-0.2830 0.2118 0.0000 ( 1714 PWs) bands (ev): -29.3610 -29.3610 -10.4190 -10.4190 -9.0824 -9.0824 -8.9140 -8.9140 -1.9295 -1.9295 5.1605 5.1605 5.5462 5.5462 8.4044 8.4044 8.5917 8.5917 10.3082 10.3082 10.5580 10.5580 10.7526 10.7526 11.7066 11.7066 12.0468 12.0468 14.6731 14.6731 14.8757 14.8757 14.9509 14.9509 15.9723 15.9723 k =-0.2925 0.2189 0.0000 ( 1714 PWs) bands (ev): -29.3602 -29.3602 -10.4231 -10.4231 -9.0900 -9.0900 -8.9145 -8.9145 -1.9037 -1.9037 5.1807 5.1807 5.5312 5.5312 8.3516 8.3516 8.5546 8.5546 10.3162 10.3162 10.5317 10.5317 10.7181 10.7181 11.7016 11.7016 12.0865 12.0865 14.7308 14.7308 14.9252 14.9252 14.9560 14.9560 15.9564 15.9564 k =-0.3019 0.2259 0.0000 ( 1714 PWs) bands (ev): -29.3594 -29.3594 -10.4272 -10.4272 -9.0975 -9.0975 -8.9149 -8.9149 -1.8785 -1.8785 5.2007 5.2007 5.5192 5.5192 8.2947 8.2947 8.5183 8.5183 10.3238 10.3238 10.5064 10.5064 10.6842 10.6842 11.6988 11.6988 12.1269 12.1269 14.7879 14.7879 14.9487 14.9487 14.9880 14.9880 15.9460 15.9460 k =-0.3113 0.2330 0.0000 ( 1714 PWs) bands (ev): -29.3586 -29.3586 -10.4311 -10.4311 -9.1048 -9.1048 -8.9153 -8.9153 -1.8540 -1.8540 5.2204 5.2204 5.5103 5.5103 8.2342 8.2342 8.4830 8.4830 10.3309 10.3309 10.4822 10.4822 10.6509 10.6509 11.6980 11.6980 12.1679 12.1679 14.8432 14.8432 14.9527 14.9527 15.0405 15.0405 15.9419 15.9419 k =-0.3208 0.2401 0.0000 ( 1712 PWs) bands (ev): -29.3579 -29.3579 -10.4350 -10.4350 -9.1118 -9.1118 -8.9157 -8.9157 -1.8302 -1.8302 5.2397 5.2397 5.5043 5.5043 8.1707 8.1707 8.4488 8.4488 10.3371 10.3371 10.4596 10.4596 10.6183 10.6183 11.6989 11.6989 12.2093 12.2093 14.8956 14.8956 14.9555 14.9555 15.0950 15.0950 15.9447 15.9447 k =-0.3302 0.2471 0.0000 ( 1712 PWs) bands (ev): -29.3571 -29.3571 -10.4388 -10.4388 -9.1186 -9.1186 -8.9161 -8.9161 -1.8071 -1.8071 5.2586 5.2586 5.5013 5.5013 8.1049 8.1049 8.4157 8.4157 10.3418 10.3418 10.4390 10.4390 10.5866 10.5866 11.7012 11.7012 12.2508 12.2508 14.9406 14.9406 14.9616 14.9616 15.1502 15.1502 15.9552 15.9552 k =-0.3396 0.2542 0.0000 ( 1720 PWs) bands (ev): -29.3564 -29.3564 -10.4424 -10.4424 -9.1252 -9.1252 -8.9164 -8.9164 -1.7850 -1.7850 5.2770 5.2770 5.5012 5.5012 8.0371 8.0371 8.3839 8.3839 10.3440 10.3440 10.4215 10.4215 10.5557 10.5557 11.7046 11.7046 12.2922 12.2922 14.9547 14.9547 14.9942 14.9942 15.2053 15.2053 15.9742 15.9742 k =-0.3491 0.2613 0.0000 ( 1716 PWs) bands (ev): -29.3557 -29.3557 -10.4459 -10.4459 -9.1315 -9.1315 -8.9167 -8.9167 -1.7638 -1.7638 5.2948 5.2948 5.5039 5.5039 7.9682 7.9682 8.3535 8.3535 10.3422 10.3422 10.4087 10.4087 10.5262 10.5262 11.7089 11.7089 12.3334 12.3334 14.9573 14.9573 15.0329 15.0329 15.2602 15.2602 16.0020 16.0020 k =-0.3585 0.2683 0.0000 ( 1716 PWs) bands (ev): -29.3551 -29.3551 -10.4493 -10.4493 -9.1374 -9.1374 -8.9170 -8.9170 -1.7436 -1.7436 5.3120 5.3120 5.5092 5.5092 7.8985 7.8985 8.3245 8.3245 10.3349 10.3349 10.4020 10.4020 10.4979 10.4979 11.7140 11.7140 12.3740 12.3740 14.9590 14.9590 15.0668 15.0668 15.3144 15.3144 16.0387 16.0387 k =-0.3679 0.2754 0.0000 ( 1716 PWs) bands (ev): -29.3545 -29.3545 -10.4526 -10.4526 -9.1431 -9.1431 -8.9172 -8.9172 -1.7245 -1.7245 5.3284 5.3284 5.5170 5.5170 7.8288 7.8288 8.2971 8.2971 10.3233 10.3233 10.4002 10.4002 10.4710 10.4710 11.7195 11.7195 12.4138 12.4138 14.9605 14.9605 15.0951 15.0951 15.3677 15.3677 16.0839 16.0839 k =-0.3774 0.2824 0.0000 ( 1708 PWs) bands (ev): -29.3539 -29.3539 -10.4556 -10.4556 -9.1484 -9.1484 -8.9174 -8.9174 -1.7065 -1.7065 5.3441 5.3441 5.5271 5.5271 7.7595 7.7595 8.2713 8.2713 10.3094 10.3094 10.4011 10.4011 10.4459 10.4459 11.7255 11.7255 12.4526 12.4526 14.9617 14.9617 15.1179 15.1179 15.4195 15.4195 16.1369 16.1369 k =-0.3868 0.2895 0.0000 ( 1702 PWs) bands (ev): -29.3533 -29.3533 -10.4585 -10.4585 -9.1534 -9.1534 -8.9176 -8.9176 -1.6896 -1.6896 5.3589 5.3589 5.5393 5.5393 7.6913 7.6913 8.2471 8.2471 10.2949 10.2949 10.4018 10.4018 10.4239 10.4239 11.7314 11.7314 12.4901 12.4901 14.9629 14.9629 15.1359 15.1359 15.4697 15.4697 16.1964 16.1964 k =-0.3962 0.2966 0.0000 ( 1702 PWs) bands (ev): -29.3528 -29.3528 -10.4612 -10.4612 -9.1580 -9.1580 -8.9178 -8.9178 -1.6740 -1.6740 5.3728 5.3728 5.5532 5.5532 7.6248 7.6248 8.2247 8.2247 10.2805 10.2805 10.3933 10.3933 10.4130 10.4130 11.7374 11.7374 12.5259 12.5259 14.9640 14.9640 15.1496 15.1496 15.5177 15.5177 16.2611 16.2611 k =-0.4057 0.3036 0.0000 ( 1708 PWs) bands (ev): -29.3523 -29.3523 -10.4637 -10.4637 -9.1623 -9.1623 -8.9180 -8.9180 -1.6596 -1.6596 5.3857 5.3857 5.5685 5.5685 7.5606 7.5606 8.2040 8.2040 10.2669 10.2669 10.3749 10.3749 10.4137 10.4137 11.7432 11.7432 12.5598 12.5598 14.9649 14.9649 15.1597 15.1597 15.5632 15.5632 16.3293 16.3293 k =-0.4151 0.3107 0.0000 ( 1712 PWs) bands (ev): -29.3519 -29.3519 -10.4660 -10.4660 -9.1662 -9.1662 -8.9181 -8.9181 -1.6465 -1.6465 5.3976 5.3976 5.5849 5.5849 7.4993 7.4993 8.1851 8.1851 10.2541 10.2541 10.3563 10.3563 10.4162 10.4162 11.7488 11.7488 12.5915 12.5915 14.9658 14.9658 15.1671 15.1671 15.6060 15.6060 16.3993 16.3993 k =-0.4245 0.3177 0.0000 ( 1716 PWs) bands (ev): -29.3515 -29.3515 -10.4680 -10.4680 -9.1697 -9.1697 -8.9182 -8.9182 -1.6347 -1.6347 5.4084 5.4084 5.6018 5.6018 7.4416 7.4416 8.1681 8.1681 10.2425 10.2425 10.3393 10.3393 10.4189 10.4189 11.7540 11.7540 12.6207 12.6207 14.9666 14.9666 15.1723 15.1723 15.6454 15.6454 16.4695 16.4695 k =-0.4340 0.3248 0.0000 ( 1714 PWs) bands (ev): -29.3511 -29.3511 -10.4699 -10.4699 -9.1728 -9.1728 -8.9183 -8.9183 -1.6242 -1.6242 5.4180 5.4180 5.6188 5.6188 7.3882 7.3882 8.1530 8.1530 10.2321 10.2321 10.3240 10.3240 10.4214 10.4214 11.7588 11.7588 12.6474 12.6474 14.9673 14.9673 15.1759 15.1759 15.6812 15.6812 16.5379 16.5379 k =-0.4434 0.3319 0.0000 ( 1708 PWs) bands (ev): -29.3508 -29.3508 -10.4715 -10.4715 -9.1755 -9.1755 -8.9184 -8.9184 -1.6151 -1.6151 5.4265 5.4265 5.6353 5.6353 7.3398 7.3398 8.1399 8.1399 10.2230 10.2230 10.3107 10.3107 10.4236 10.4236 11.7633 11.7633 12.6712 12.6712 14.9679 14.9679 15.1783 15.1783 15.7131 15.7131 16.6028 16.6028 k =-0.4528 0.3389 0.0000 ( 1712 PWs) bands (ev): -29.3506 -29.3506 -10.4729 -10.4729 -9.1778 -9.1778 -8.9185 -8.9185 -1.6074 -1.6074 5.4338 5.4338 5.6507 5.6507 7.2972 7.2972 8.1287 8.1287 10.2151 10.2151 10.2994 10.2994 10.4254 10.4254 11.7670 11.7670 12.6917 12.6917 14.9684 14.9684 15.1797 15.1797 15.7407 15.7407 16.6622 16.6622 k =-0.4623 0.3460 0.0000 ( 1718 PWs) bands (ev): -29.3503 -29.3503 -10.4740 -10.4740 -9.1797 -9.1797 -8.9186 -8.9186 -1.6010 -1.6010 5.4398 5.4398 5.6645 5.6645 7.2611 7.2611 8.1195 8.1195 10.2086 10.2086 10.2899 10.2899 10.4269 10.4269 11.7701 11.7701 12.7087 12.7087 14.9688 14.9688 15.1806 15.1806 15.7637 15.7637 16.7142 16.7142 k =-0.4717 0.3530 0.0000 ( 1714 PWs) bands (ev): -29.3502 -29.3502 -10.4749 -10.4749 -9.1812 -9.1812 -8.9186 -8.9186 -1.5961 -1.5961 5.4445 5.4445 5.6759 5.6759 7.2321 7.2321 8.1124 8.1124 10.2036 10.2036 10.2827 10.2827 10.4281 10.4281 11.7726 11.7726 12.7222 12.7222 14.9691 14.9691 15.1812 15.1812 15.7819 15.7819 16.7570 16.7570 k =-0.4811 0.3601 0.0000 ( 1714 PWs) bands (ev): -29.3500 -29.3500 -10.4755 -10.4755 -9.1823 -9.1823 -8.9186 -8.9186 -1.5925 -1.5925 5.4479 5.4479 5.6845 5.6845 7.2109 7.2109 8.1073 8.1073 10.1999 10.1999 10.2775 10.2775 10.4290 10.4290 11.7744 11.7744 12.7320 12.7320 14.9693 14.9693 15.1814 15.1814 15.7950 15.7950 16.7890 16.7890 k =-0.4906 0.3672 0.0000 ( 1712 PWs) bands (ev): -29.3500 -29.3500 -10.4759 -10.4759 -9.1829 -9.1829 -8.9186 -8.9186 -1.5904 -1.5904 5.4499 5.4499 5.6899 5.6899 7.1980 7.1980 8.1042 8.1042 10.1977 10.1977 10.2744 10.2744 10.4294 10.4294 11.7757 11.7757 12.7378 12.7378 14.9695 14.9695 15.1816 15.1816 15.8029 15.8029 16.8087 16.8087 k =-0.5000 0.3742 0.0000 ( 1710 PWs) bands (ev): -29.3499 -29.3499 -10.4760 -10.4760 -9.1831 -9.1831 -8.9187 -8.9187 -1.5896 -1.5896 5.4506 5.4506 5.6917 5.6917 7.1936 7.1936 8.1032 8.1032 10.1970 10.1970 10.2734 10.2734 10.4296 10.4296 11.7760 11.7760 12.7398 12.7398 14.9695 14.9695 15.1816 15.1816 15.8056 15.8056 16.8154 16.8154 k =-0.5000 0.3742 0.0000 ( 1710 PWs) bands (ev): -29.3499 -29.3499 -10.4760 -10.4760 -9.1831 -9.1831 -8.9187 -8.9187 -1.5896 -1.5896 5.4506 5.4506 5.6917 5.6917 7.1936 7.1936 8.1032 8.1032 10.1970 10.1970 10.2734 10.2734 10.4296 10.4296 11.7760 11.7760 12.7398 12.7398 14.9695 14.9695 15.1816 15.1816 15.8056 15.8056 16.8154 16.8154 k =-0.4931 0.3834-0.0000 ( 1716 PWs) bands (ev): -29.3500 -29.3500 -10.4765 -10.4754 -9.1842 -9.1819 -8.9190 -8.9184 -1.5908 -1.5887 5.4443 5.4486 5.6929 5.6935 7.1968 7.1976 8.1029 8.1034 10.1975 10.1991 10.2709 10.2754 10.4314 10.4323 11.7725 11.7761 12.7390 12.7407 14.9642 14.9653 15.1797 15.1823 15.8054 15.8067 16.8125 16.8162 k =-0.4863 0.3926-0.0000 ( 1712 PWs) bands (ev): -29.3500 -29.3500 -10.4769 -10.4747 -9.1851 -9.1805 -8.9193 -8.9182 -1.5923 -1.5879 5.4302 5.4386 5.6971 5.6982 7.2069 7.2084 8.1025 8.1036 10.2005 10.2040 10.2684 10.2776 10.4379 10.4396 11.7659 11.7731 12.7383 12.7416 14.9494 14.9516 15.1769 15.1821 15.8060 15.8085 16.8076 16.8148 k =-0.4794 0.4018-0.0000 ( 1712 PWs) bands (ev): -29.3500 -29.3500 -10.4772 -10.4740 -9.1859 -9.1789 -8.9197 -8.9180 -1.5939 -1.5874 5.4086 5.4206 5.7044 5.7058 7.2236 7.2257 8.1022 8.1037 10.2057 10.2117 10.2659 10.2803 10.4485 10.4509 11.7561 11.7668 12.7376 12.7426 14.9257 14.9288 15.1733 15.1809 15.8074 15.8110 16.8005 16.8112 k =-0.4725 0.4110-0.0000 ( 1712 PWs) bands (ev): -29.3501 -29.3501 -10.4774 -10.4731 -9.1865 -9.1772 -8.9201 -8.9179 -1.5957 -1.5871 5.3801 5.3954 5.7147 5.7161 7.2463 7.2489 8.1018 8.1038 10.2125 10.2223 10.2637 10.2844 10.4629 10.4658 11.7432 11.7574 12.7370 12.7438 14.8935 14.8975 15.1688 15.1787 15.8096 15.8142 16.7912 16.8052 k =-0.4656 0.4201-0.0000 ( 1708 PWs) bands (ev): -29.3502 -29.3502 -10.4775 -10.4721 -9.1869 -9.1754 -8.9206 -8.9178 -1.5978 -1.5871 5.3456 5.3636 5.7281 5.7291 7.2743 7.2772 8.1014 8.1039 10.2205 10.2357 10.2623 10.2909 10.4807 10.4840 11.7272 11.7451 12.7365 12.7450 14.8537 14.8584 15.1638 15.1758 15.8126 15.8179 16.7795 16.7967 k =-0.4588 0.4293-0.0000 ( 1704 PWs) bands (ev): -29.3503 -29.3503 -10.4775 -10.4711 -9.1872 -9.1734 -8.9211 -8.9178 -1.6002 -1.5874 5.3058 5.3262 5.7444 5.7450 7.3069 7.3098 8.1012 8.1041 10.2289 10.2519 10.2619 10.3007 10.5013 10.5051 11.7084 11.7298 12.7361 12.7464 14.8071 14.8124 15.1584 15.1722 15.8161 15.8219 16.7651 16.7853 k =-0.4519 0.4385-0.0000 ( 1702 PWs) bands (ev): -29.3505 -29.3504 -10.4775 -10.4699 -9.1873 -9.1713 -8.9217 -8.9178 -1.6027 -1.5880 5.2614 5.2838 5.7635 5.7636 7.3431 7.3458 8.1011 8.1045 10.2374 10.2624 10.2708 10.3143 10.5247 10.5287 11.6868 11.7118 12.7358 12.7479 14.7544 14.7602 15.1526 15.1681 15.8201 15.8262 16.7481 16.7711 k =-0.4450 0.4477-0.0000 ( 1706 PWs) bands (ev): -29.3506 -29.3506 -10.4773 -10.4687 -9.1872 -9.1690 -8.9223 -8.9179 -1.6056 -1.5888 5.2133 5.2374 5.7850 5.7855 7.3821 7.3845 8.1011 8.1050 10.2457 10.2644 10.2920 10.3317 10.5505 10.5547 11.6625 11.6911 12.7356 12.7496 14.6968 14.7028 15.1468 15.1636 15.8244 15.8306 16.7283 16.7538 k =-0.4381 0.4569-0.0000 ( 1712 PWs) bands (ev): -29.3508 -29.3508 -10.4770 -10.4674 -9.1870 -9.1667 -8.9229 -8.9180 -1.6087 -1.5900 5.1621 5.1876 5.8091 5.8103 7.4231 7.4250 8.1014 8.1057 10.2542 10.2677 10.3157 10.3528 10.5784 10.5827 11.6357 11.6681 12.7355 12.7514 14.6350 14.6411 15.1410 15.1589 15.8288 15.8349 16.7055 16.7333 k =-0.4313 0.4660-0.0000 ( 1708 PWs) bands (ev): -29.3510 -29.3510 -10.4766 -10.4660 -9.1866 -9.1641 -8.9236 -8.9181 -1.6121 -1.5916 5.1085 5.1353 5.8360 5.8378 7.4655 7.4667 8.1021 8.1067 10.2633 10.2725 10.3418 10.3772 10.6085 10.6127 11.6067 11.6429 12.7356 12.7536 14.5698 14.5760 15.1355 15.1542 15.8334 15.8391 16.6798 16.7097 k =-0.4244 0.4752-0.0000 ( 1702 PWs) bands (ev): -29.3512 -29.3512 -10.4760 -10.4646 -9.1859 -9.1614 -8.9242 -8.9182 -1.6158 -1.5936 5.0531 5.0809 5.8656 5.8681 7.5086 7.5090 8.1032 8.1082 10.2731 10.2786 10.3700 10.4044 10.6406 10.6445 11.5755 11.6158 12.7360 12.7560 14.5019 14.5080 15.1303 15.1497 15.8377 15.8430 16.6512 16.6830 k =-0.4175 0.4844-0.0000 ( 1702 PWs) bands (ev): -29.3514 -29.3514 -10.4754 -10.4630 -9.1851 -9.1586 -8.9249 -8.9183 -1.6199 -1.5959 4.9965 5.0251 5.8979 5.9010 7.5513 7.5517 8.1048 8.1101 10.2837 10.2859 10.4002 10.4341 10.6744 10.6777 11.5426 11.5872 12.7365 12.7588 14.4320 14.4378 15.1256 15.1454 15.8417 15.8462 16.6198 16.6534 k =-0.4107 0.4936-0.0000 ( 1702 PWs) bands (ev): -29.3517 -29.3517 -10.4747 -10.4614 -9.1841 -9.1556 -8.9256 -8.9185 -1.6243 -1.5988 4.9391 4.9684 5.9328 5.9365 7.5930 7.5945 8.1069 8.1126 10.2943 10.2951 10.4321 10.4659 10.7098 10.7121 11.5082 11.5574 12.7373 12.7618 14.3608 14.3662 15.1215 15.1414 15.8450 15.8486 16.5860 16.6211 k =-0.4038 0.5028-0.0000 ( 1702 PWs) bands (ev): -29.3520 -29.3520 -10.4739 -10.4597 -9.1829 -9.1525 -8.9263 -8.9187 -1.6292 -1.6021 4.8813 4.9112 5.9703 5.9745 7.6338 7.6364 8.1097 8.1156 10.3037 10.3072 10.4657 10.4995 10.7467 10.7475 11.4727 11.5269 12.7383 12.7652 14.2887 14.2937 15.1180 15.1380 15.8473 15.8499 16.5502 16.5867 k =-0.3969 0.5120-0.0000 ( 1702 PWs) bands (ev): -29.3523 -29.3522 -10.4729 -10.4580 -9.1815 -9.1493 -8.9270 -8.9189 -1.6344 -1.6059 4.8235 4.8539 6.0104 6.0150 7.6734 7.6771 8.1131 8.1194 10.3138 10.3200 10.5006 10.5347 10.7833 10.7848 11.4363 11.4963 12.7394 12.7688 14.2165 14.2208 15.1153 15.1351 15.8483 15.8498 16.5128 16.5506 k =-0.3900 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3526 -29.3526 -10.4719 -10.4561 -9.1799 -9.1459 -8.9277 -8.9191 -1.6402 -1.6102 4.7661 4.7968 6.0529 6.0580 7.7115 7.7162 8.1174 8.1239 10.3246 10.3332 10.5367 10.5712 10.8191 10.8240 11.3998 11.4665 12.7407 12.7727 14.1444 14.1480 15.1133 15.1328 15.8476 15.8478 16.4746 16.5136 k =-0.3900 0.5211-0.0000 ( 1701 PWs) bands (ev): -29.3526 -29.3526 -10.4719 -10.4561 -9.1799 -9.1459 -8.9277 -8.9191 -1.6402 -1.6102 4.7661 4.7968 6.0529 6.0580 7.7115 7.7162 8.1174 8.1239 10.3246 10.3332 10.5367 10.5712 10.8191 10.8240 11.3998 11.4665 12.7407 12.7727 14.1444 14.1480 15.1133 15.1328 15.8476 15.8478 16.4746 16.5136 k =-0.3900 0.5211 0.0118 ( 1697 PWs) bands (ev): -29.3525 -29.3525 -10.4719 -10.4562 -9.1798 -9.1458 -8.9281 -8.9194 -1.6403 -1.6104 4.7659 4.7966 6.0536 6.0589 7.7110 7.7161 8.1172 8.1236 10.3249 10.3335 10.5367 10.5713 10.8188 10.8248 11.3999 11.4665 12.7401 12.7722 14.1436 14.1473 15.1149 15.1342 15.8467 15.8475 16.4770 16.5160 k =-0.3900 0.5211 0.0236 ( 1699 PWs) bands (ev): -29.3524 -29.3524 -10.4721 -10.4563 -9.1794 -9.1455 -8.9293 -8.9205 -1.6406 -1.6108 4.7653 4.7961 6.0558 6.0615 7.7097 7.7157 8.1165 8.1226 10.3259 10.3344 10.5367 10.5714 10.8183 10.8266 11.4000 11.4665 12.7380 12.7703 14.1410 14.1452 15.1193 15.1384 15.8447 15.8463 16.4841 16.5232 k =-0.3900 0.5211 0.0355 ( 1699 PWs) bands (ev): -29.3523 -29.3522 -10.4723 -10.4564 -9.1787 -9.1449 -8.9313 -8.9223 -1.6412 -1.6115 4.7643 4.7952 6.0594 6.0659 7.7077 7.7150 8.1154 8.1210 10.3274 10.3359 10.5367 10.5717 10.8180 10.8292 11.4003 11.4665 12.7347 12.7672 14.1369 14.1416 15.1266 15.1451 15.8418 15.8443 16.4959 16.5351 k =-0.3900 0.5211 0.0473 ( 1697 PWs) bands (ev): -29.3520 -29.3520 -10.4727 -10.4566 -9.1779 -9.1442 -8.9342 -8.9249 -1.6420 -1.6125 4.7629 4.7939 6.0647 6.0720 7.7051 7.7139 8.1138 8.1187 10.3296 10.3379 10.5370 10.5722 10.8181 10.8321 11.4007 11.4666 12.7301 12.7629 14.1313 14.1366 15.1363 15.1542 15.8381 15.8418 16.5123 16.5516 k =-0.3900 0.5211 0.0591 ( 1698 PWs) bands (ev): -29.3517 -29.3517 -10.4732 -10.4569 -9.1767 -9.1432 -8.9377 -8.9281 -1.6431 -1.6137 4.7609 4.7921 6.0715 6.0797 7.7020 7.7124 8.1116 8.1159 10.3322 10.3404 10.5375 10.5728 10.8187 10.8354 11.4012 11.4666 12.7241 12.7574 14.1244 14.1302 15.1483 15.1651 15.8343 15.8393 16.5331 16.5726 k =-0.3900 0.5211 0.0709 ( 1696 PWs) bands (ev): -29.3513 -29.3513 -10.4737 -10.4573 -9.1754 -9.1420 -8.9420 -8.9321 -1.6444 -1.6153 4.7585 4.7898 6.0799 6.0892 7.6986 7.7106 8.1086 8.1126 10.3353 10.3433 10.5386 10.5738 10.8199 10.8391 11.4018 11.4667 12.7168 12.7505 14.1163 14.1225 15.1619 15.1775 15.8307 15.8373 16.5583 16.5980 k =-0.3900 0.5211 0.0827 ( 1700 PWs) bands (ev): -29.3509 -29.3509 -10.4744 -10.4578 -9.1738 -9.1406 -8.9470 -8.9367 -1.6459 -1.6171 4.7554 4.7868 6.0900 6.1004 7.6949 7.7085 8.1048 8.1089 10.3386 10.3465 10.5403 10.5752 10.8213 10.8428 11.4024 11.4667 12.7083 12.7426 14.1071 14.1135 15.1766 15.1908 15.8280 15.8365 16.5876 16.6275 k =-0.3900 0.5211 0.0946 ( 1706 PWs) bands (ev): -29.3504 -29.3503 -10.4752 -10.4584 -9.1720 -9.1391 -8.9525 -8.9419 -1.6477 -1.6192 4.7518 4.7832 6.1018 6.1132 7.6910 7.7063 8.0999 8.1049 10.3418 10.3499 10.5428 10.5771 10.8232 10.8467 11.4031 11.4667 12.6987 12.7336 14.0968 14.1033 15.1917 15.2042 15.8271 15.8378 16.6208 16.6609 k =-0.3900 0.5211 0.1064 ( 1704 PWs) bands (ev): -29.3498 -29.3498 -10.4760 -10.4590 -9.1701 -9.1373 -8.9587 -8.9478 -1.6496 -1.6216 4.7474 4.7789 6.1153 6.1277 7.6872 7.7041 8.0942 8.1005 10.3449 10.3537 10.5465 10.5797 10.8257 10.8508 11.4039 11.4667 12.6881 12.7237 14.0855 14.0919 15.2066 15.2171 15.8288 15.8419 16.6577 16.6979 k =-0.3900 0.5211 0.1182 ( 1704 PWs) bands (ev): -29.3492 -29.3492 -10.4770 -10.4597 -9.1679 -9.1354 -8.9653 -8.9542 -1.6518 -1.6242 4.7424 4.7737 6.1304 6.1439 7.6834 7.7019 8.0877 8.0955 10.3475 10.3576 10.5512 10.5831 10.8286 10.8551 11.4048 11.4667 12.6764 12.7127 14.0733 14.0793 15.2203 15.2289 15.8340 15.8496 16.6980 16.7383 k =-0.3900 0.5211 0.1300 ( 1706 PWs) bands (ev): -29.3485 -29.3485 -10.4781 -10.4606 -9.1656 -9.1334 -8.9724 -8.9611 -1.6542 -1.6270 4.7365 4.7676 6.1472 6.1617 7.6800 7.6999 8.0803 8.0900 10.3495 10.3616 10.5571 10.5874 10.8321 10.8597 11.4056 11.4667 12.6637 12.7008 14.0600 14.0656 15.2322 15.2388 15.8436 15.8618 16.7415 16.7818 k =-0.3900 0.5211 0.1418 ( 1708 PWs) bands (ev): -29.3478 -29.3477 -10.4793 -10.4616 -9.1631 -9.1313 -8.9798 -8.9685 -1.6568 -1.6301 4.7299 4.7607 6.1657 6.1810 7.6770 7.6981 8.0722 8.0837 10.3508 10.3655 10.5641 10.5929 10.8362 10.8645 11.4065 11.4666 12.6501 12.6880 14.0456 14.0508 15.2416 15.2465 15.8583 15.8791 16.7877 16.8280 k =-0.3900 0.5211 0.1537 ( 1710 PWs) bands (ev): -29.3470 -29.3470 -10.4806 -10.4626 -9.1606 -9.1290 -8.9875 -8.9763 -1.6595 -1.6335 4.7225 4.7528 6.1857 6.2017 7.6746 7.6969 8.0634 8.0768 10.3515 10.3691 10.5721 10.5996 10.8411 10.8698 11.4075 11.4665 12.6357 12.6745 14.0298 14.0350 15.2480 15.2519 15.8786 15.9017 16.8364 16.8766 k =-0.3900 0.5211 0.1655 ( 1708 PWs) bands (ev): -29.3462 -29.3461 -10.4820 -10.4638 -9.1579 -9.1267 -8.9954 -8.9845 -1.6625 -1.6370 4.7143 4.7440 6.2071 6.2238 7.6729 7.6962 8.0539 8.0692 10.3515 10.3724 10.5808 10.6076 10.8470 10.8758 11.4085 11.4664 12.6207 12.6605 14.0124 14.0181 15.2512 15.2552 15.9047 15.9300 16.8874 16.9274 k =-0.3900 0.5211 0.1773 ( 1711 PWs) bands (ev): -29.3453 -29.3453 -10.4835 -10.4652 -9.1553 -9.1244 -9.0034 -8.9929 -1.6656 -1.6408 4.7053 4.7342 6.2299 6.2470 7.6720 7.6961 8.0436 8.0608 10.3510 10.3750 10.5896 10.6165 10.8542 10.8827 11.4094 11.4662 12.6049 12.6459 13.9933 14.0002 15.2514 15.2563 15.9365 15.9635 16.9403 16.9800 k =-0.3900 0.5211 0.1891 ( 1708 PWs) bands (ev): -29.3444 -29.3444 -10.4852 -10.4666 -9.1527 -9.1221 -9.0114 -9.0016 -1.6689 -1.6448 4.6955 4.7236 6.2539 6.2714 7.6723 7.6968 8.0328 8.0517 10.3499 10.3771 10.5986 10.6263 10.8630 10.8910 11.4104 11.4660 12.5886 12.6308 13.9723 13.9811 15.2492 15.2555 15.9736 16.0022 16.9948 17.0340 k =-0.3900 0.5211 0.2010 ( 1711 PWs) bands (ev): -29.3435 -29.3434 -10.4869 -10.4683 -9.1502 -9.1199 -9.0193 -9.0104 -1.6723 -1.6489 4.6850 4.7120 6.2789 6.2966 7.6736 7.6984 8.0213 8.0419 10.3482 10.3785 10.6070 10.6365 10.8738 10.9009 11.4114 11.4658 12.5718 12.6153 13.9493 13.9605 15.2454 15.2529 16.0155 16.0454 17.0507 17.0893 k =-0.3900 0.5211 0.2128 ( 1710 PWs) bands (ev): -29.3425 -29.3425 -10.4887 -10.4700 -9.1478 -9.1178 -9.0268 -9.0193 -1.6759 -1.6532 4.6737 4.6997 6.3048 6.3225 7.6762 7.7010 8.0093 8.0314 10.3463 10.3793 10.6146 10.6465 10.8870 10.9131 11.4124 11.4655 12.5546 12.5996 13.9244 13.9382 15.2403 15.2492 16.0616 16.0925 17.1076 17.1455 k =-0.3900 0.5211 0.2246 ( 1712 PWs) bands (ev): -29.3415 -29.3415 -10.4906 -10.4719 -9.1458 -9.1159 -9.0339 -9.0281 -1.6795 -1.6577 4.6619 4.6867 6.3313 6.3489 7.6801 7.7047 7.9969 8.0203 10.3440 10.3795 10.6211 10.6556 10.9028 10.9279 11.4134 11.4653 12.5370 12.5838 13.8973 13.9142 15.2345 15.2447 16.1113 16.1430 17.1655 17.2024 k =-0.3900 0.5211 0.2364 ( 1718 PWs) bands (ev): -29.3405 -29.3405 -10.4927 -10.4739 -9.1442 -9.1144 -9.0404 -9.0367 -1.6833 -1.6623 4.6495 4.6730 6.3583 6.3757 7.6853 7.7094 7.9842 8.0087 10.3414 10.3792 10.6262 10.6634 10.9216 10.9457 11.4145 11.4650 12.5192 12.5679 13.8680 13.8881 15.2284 15.2398 16.1638 16.1963 17.2240 17.2598 k =-0.3900 0.5211 0.2482 ( 1721 PWs) bands (ev): -29.3395 -29.3395 -10.4947 -10.4760 -9.1432 -9.1133 -9.0465 -9.0445 -1.6872 -1.6670 4.6366 4.6587 6.3856 6.4025 7.6918 7.7151 7.9713 7.9967 10.3387 10.3784 10.6296 10.6693 10.9436 10.9671 11.4155 11.4648 12.5013 12.5520 13.8365 13.8600 15.2222 15.2349 16.2185 16.2516 17.2831 17.3174 k =-0.3900 0.5211 0.2601 ( 1721 PWs) bands (ev): -29.3385 -29.3385 -10.4969 -10.4783 -9.1430 -9.1127 -9.0535 -9.0499 -1.6912 -1.6718 4.6233 4.6441 6.4129 6.4293 7.6994 7.7218 7.9584 7.9846 10.3358 10.3772 10.6314 10.6732 10.9688 10.9920 11.4166 11.4645 12.4834 12.5364 13.8027 13.8298 15.2163 15.2302 16.2747 16.3084 17.3425 17.3752 k =-0.3900 0.5211 0.2719 ( 1723 PWs) bands (ev): -29.3375 -29.3375 -10.4991 -10.4806 -9.1437 -9.1130 -9.0603 -9.0534 -1.6952 -1.6767 4.6097 4.6290 6.4400 6.4559 7.7079 7.7295 7.9459 7.9726 10.3329 10.3756 10.6315 10.6751 10.9972 11.0205 11.4177 11.4642 12.4654 12.5209 13.7666 13.7973 15.2108 15.2258 16.3318 16.3660 17.4022 17.4330 k =-0.3900 0.5211 0.2837 ( 1725 PWs) bands (ev): -29.3365 -29.3364 -10.5014 -10.4831 -9.1455 -9.1142 -9.0660 -9.0556 -1.6992 -1.6816 4.5959 4.6138 6.4669 6.4820 7.7166 7.7379 7.9340 7.9611 10.3299 10.3737 10.6300 10.6749 11.0285 11.0524 11.4189 11.4639 12.4476 12.5057 13.7283 13.7626 15.2058 15.2219 16.3890 16.4236 17.4621 17.4906 k =-0.3900 0.5211 0.2955 ( 1727 PWs) bands (ev): -29.3354 -29.3354 -10.5037 -10.4857 -9.1482 -9.1167 -9.0703 -9.0566 -1.7033 -1.6866 4.5820 4.5984 6.4932 6.5076 7.7247 7.7470 7.9232 7.9508 10.3270 10.3716 10.6271 10.6729 11.0628 11.0874 11.4201 11.4637 12.4298 12.4909 13.6877 13.7257 15.2014 15.2185 16.4457 16.4807 17.5222 17.5482 k =-0.3900 0.5211 0.3073 ( 1723 PWs) bands (ev): -29.3344 -29.3344 -10.5061 -10.4883 -9.1519 -9.1206 -9.0728 -9.0567 -1.7073 -1.6915 4.5680 4.5830 6.5189 6.5325 7.7311 7.7563 7.9142 7.9426 10.3241 10.3693 10.6230 10.6693 11.0996 11.1252 11.4216 11.4636 12.4124 12.4766 13.6450 13.6866 15.1975 15.2155 16.5012 16.5365 17.5826 17.6056 k =-0.3900 0.5211 0.3192 ( 1723 PWs) bands (ev): -29.3335 -29.3334 -10.5084 -10.4910 -9.1562 -9.1256 -9.0739 -9.0560 -1.7113 -1.6964 4.5541 4.5677 6.5438 6.5566 7.7347 7.7649 7.9076 7.9377 10.3213 10.3668 10.6177 10.6642 11.1387 11.1654 11.4233 11.4636 12.3952 12.4627 13.6002 13.6454 15.1942 15.2130 16.5547 16.5903 17.6433 17.6628 k =-0.3900 0.5211 0.3310 ( 1723 PWs) bands (ev): -29.3325 -29.3325 -10.5108 -10.4938 -9.1610 -9.1315 -9.0736 -9.0548 -1.7152 -1.7012 4.5404 4.5526 6.5678 6.5798 7.7347 7.7712 7.9047 7.9370 10.3185 10.3641 10.6116 10.6580 11.1798 11.2078 11.4254 11.4637 12.3783 12.4494 13.5534 13.6022 15.1913 15.2108 16.6057 16.6414 17.7041 17.7198 k =-0.3900 0.5211 0.3428 ( 1727 PWs) bands (ev): -29.3316 -29.3316 -10.5131 -10.4966 -9.1660 -9.1378 -9.0726 -9.0532 -1.7191 -1.7060 4.5268 4.5378 6.5908 6.6021 7.7310 7.7735 7.9068 7.9410 10.3158 10.3613 10.6047 10.6507 11.2227 11.2516 11.4281 11.4639 12.3618 12.4367 13.5049 13.5571 15.1888 15.2089 16.6535 16.6892 17.7647 17.7763 k =-0.3900 0.5211 0.3546 ( 1725 PWs) bands (ev): -29.3307 -29.3306 -10.5154 -10.4994 -9.1711 -9.1444 -9.0709 -9.0514 -1.7229 -1.7106 4.5136 4.5235 6.6127 6.6235 7.7241 7.7710 7.9144 7.9494 10.3133 10.3584 10.5973 10.6427 11.2668 11.2961 11.4323 11.4646 12.3458 12.4247 13.4549 13.5104 15.1866 15.2072 16.6976 16.7330 17.8234 17.8332 k =-0.3900 0.5211 0.3664 ( 1725 PWs) bands (ev): -29.3298 -29.3298 -10.5177 -10.5022 -9.1762 -9.1510 -9.0689 -9.0494 -1.7265 -1.7151 4.5008 4.5096 6.6335 6.6438 7.7144 7.7640 7.9269 7.9614 10.3109 10.3554 10.5896 10.6340 11.3114 11.3394 11.4396 11.4660 12.3302 12.4133 13.4035 13.4622 15.1847 15.2057 16.7375 16.7726 17.8758 17.8917 k =-0.3900 0.5211 0.3783 ( 1725 PWs) bands (ev): -29.3290 -29.3289 -10.5198 -10.5050 -9.1810 -9.1574 -9.0667 -9.0473 -1.7300 -1.7194 4.4885 4.4964 6.6532 6.6630 7.7028 7.7538 7.9430 7.9761 10.3086 10.3522 10.5817 10.6249 11.3544 11.3776 11.4541 11.4696 12.3150 12.4025 13.3511 13.4129 15.1830 15.2042 16.7730 16.8075 17.9183 17.9490 k =-0.3900 0.5211 0.3901 ( 1721 PWs) bands (ev): -29.3282 -29.3282 -10.5219 -10.5077 -9.1857 -9.1636 -9.0645 -9.0452 -1.7334 -1.7235 4.4767 4.4838 6.6717 6.6812 7.6900 7.7416 7.9615 7.9927 10.3066 10.3490 10.5738 10.6155 11.3876 11.4094 11.4716 11.4884 12.3005 12.3925 13.2980 13.3627 15.1814 15.2028 16.8040 16.8377 17.9469 17.9927 k =-0.3900 0.5211 0.4019 ( 1719 PWs) bands (ev): -29.3274 -29.3274 -10.5238 -10.5103 -9.1900 -9.1695 -9.0622 -9.0431 -1.7365 -1.7274 4.4655 4.4721 6.6890 6.6983 7.6766 7.7283 7.9811 8.0102 10.3047 10.3457 10.5661 10.6060 11.4027 11.4358 11.4915 11.5296 12.2865 12.3831 13.2445 13.3119 15.1799 15.2014 16.8304 16.8632 17.9616 18.0059 k =-0.3900 0.5211 0.4137 ( 1719 PWs) bands (ev): -29.3267 -29.3267 -10.5256 -10.5128 -9.1940 -9.1751 -9.0600 -9.0412 -1.7395 -1.7311 4.4550 4.4612 6.7051 6.7141 7.6629 7.7145 8.0011 8.0282 10.3030 10.3423 10.5587 10.5964 11.4093 11.4475 11.5283 11.5777 12.2730 12.3742 13.1911 13.2609 15.1785 15.2000 16.8526 16.8843 17.9683 18.0056 k =-0.3900 0.5211 0.4255 ( 1717 PWs) bands (ev): -29.3261 -29.3261 -10.5273 -10.5152 -9.1976 -9.1803 -9.0579 -9.0393 -1.7422 -1.7345 4.4452 4.4512 6.7199 6.7288 7.6495 7.7008 8.0208 8.0460 10.3016 10.3389 10.5519 10.5871 11.4130 11.4516 11.5729 11.6282 12.2603 12.3658 13.1385 13.2103 15.1771 15.1986 16.8707 16.9013 17.9719 18.0043 k =-0.3900 0.5211 0.4374 ( 1719 PWs) bands (ev): -29.3255 -29.3255 -10.5288 -10.5174 -9.2008 -9.1851 -9.0560 -9.0375 -1.7447 -1.7376 4.4362 4.4422 6.7335 6.7421 7.6366 7.6876 8.0398 8.0631 10.3004 10.3354 10.5456 10.5780 11.4153 11.4535 11.6194 11.6791 12.2484 12.3574 13.0872 13.1605 15.1758 15.1972 16.8853 16.9147 17.9750 18.0045 k =-0.3900 0.5211 0.4492 ( 1717 PWs) bands (ev): -29.3250 -29.3250 -10.5302 -10.5195 -9.2035 -9.1895 -9.0542 -9.0360 -1.7469 -1.7404 4.4281 4.4342 6.7457 6.7541 7.6245 7.6752 8.0575 8.0793 10.2995 10.3320 10.5401 10.5694 11.4170 11.4545 11.6655 11.7294 12.2375 12.3490 13.0382 13.1122 15.1746 15.1958 16.8968 16.9250 17.9783 18.0063 k =-0.3900 0.5211 0.4610 ( 1717 PWs) bands (ev): -29.3246 -29.3246 -10.5314 -10.5213 -9.2058 -9.1934 -9.0526 -9.0346 -1.7489 -1.7428 4.4209 4.4272 6.7566 6.7647 7.6135 7.6638 8.0737 8.0940 10.2988 10.3286 10.5354 10.5612 11.4182 11.4551 11.7102 11.7776 12.2281 12.3400 12.9924 13.0662 15.1734 15.1945 16.9056 16.9328 17.9821 18.0093 k =-0.3900 0.5211 0.4728 ( 1717 PWs) bands (ev): -29.3242 -29.3242 -10.5324 -10.5230 -9.2077 -9.1968 -9.0512 -9.0334 -1.7506 -1.7450 4.4148 4.4212 6.7660 6.7738 7.6038 7.6537 8.0879 8.1070 10.2984 10.3254 10.5318 10.5538 11.4192 11.4555 11.7524 11.8223 12.2207 12.3299 12.9512 13.0234 15.1724 15.1933 16.9122 16.9384 17.9860 18.0131 k =-0.3900 0.5211 0.4846 ( 1711 PWs) bands (ev): -29.3239 -29.3239 -10.5332 -10.5243 -9.2092 -9.1997 -9.0500 -9.0323 -1.7520 -1.7467 4.4097 4.4163 6.7739 6.7813 7.5956 7.6452 8.1000 8.1180 10.2984 10.3225 10.5292 10.5471 11.4199 11.4558 11.7911 11.8617 12.2166 12.3181 12.9158 12.9850 15.1715 15.1923 16.9170 16.9425 17.9900 18.0172 k =-0.3900 0.5211 0.4965 ( 1711 PWs) bands (ev): -29.3236 -29.3236 -10.5338 -10.5254 -9.2102 -9.2020 -9.0491 -9.0316 -1.7530 -1.7481 4.4057 4.4125 6.7801 6.7872 7.5890 7.6383 8.1096 8.1268 10.2984 10.3199 10.5276 10.5413 11.4204 11.4560 11.8249 11.8936 12.2168 12.3041 12.8874 12.9522 15.1708 15.1915 16.9203 16.9452 17.9934 18.0210 k =-0.3900 0.5211 0.5083 ( 1705 PWs) bands (ev): -29.3234 -29.3234 -10.5342 -10.5262 -9.2109 -9.2038 -9.0485 -9.0310 -1.7538 -1.7491 4.4028 4.4097 6.7847 6.7914 7.5842 7.6333 8.1166 8.1332 10.2987 10.3179 10.5272 10.5364 11.4208 11.4562 11.8521 11.9162 12.2227 12.2879 12.8671 12.9267 15.1703 15.1908 16.9225 16.9469 17.9962 18.0240 k =-0.3900 0.5211 0.5201 ( 1706 PWs) bands (ev): -29.3233 -29.3233 -10.5345 -10.5267 -9.2112 -9.2049 -9.0481 -9.0306 -1.7543 -1.7497 4.4011 4.4081 6.7874 6.7940 7.5813 7.6303 8.1209 8.1371 10.2989 10.3166 10.5278 10.5325 11.4210 11.4562 11.8704 11.9288 12.2340 12.2701 12.8551 12.9103 15.1700 15.1905 16.9238 16.9479 17.9979 18.0259 k =-0.3900 0.5211 0.5319 ( 1706 PWs) bands (ev): -29.3233 -29.3233 -10.5345 -10.5269 -9.2113 -9.2053 -9.0480 -9.0305 -1.7544 -1.7499 4.4005 4.4075 6.7883 6.7948 7.5803 7.6292 8.1223 8.1384 10.2990 10.3161 10.5293 10.5299 11.4211 11.4562 11.8770 11.9327 12.2458 12.2562 12.8512 12.9045 15.1698 15.1903 16.9242 16.9482 17.9985 18.0266 k =-0.3900 0.5211 0.5319 ( 1706 PWs) bands (ev): -29.3233 -29.3233 -10.5345 -10.5269 -9.2113 -9.2053 -9.0480 -9.0305 -1.7544 -1.7499 4.4005 4.4075 6.7883 6.7948 7.5803 7.6292 8.1223 8.1384 10.2990 10.3161 10.5293 10.5299 11.4211 11.4562 11.8770 11.9327 12.2458 12.2562 12.8512 12.9045 15.1698 15.1903 16.9242 16.9482 17.9985 18.0266 k =-0.3969 0.5120 0.5319 ( 1702 PWs) bands (ev): -29.3230 -29.3230 -10.5350 -10.5277 -9.2116 -9.2059 -9.0493 -9.0327 -1.7542 -1.7499 4.4328 4.4398 6.7297 6.7356 7.5791 7.6259 8.1307 8.1460 10.3146 10.3313 10.4801 10.4806 11.4596 11.4927 11.8978 11.9516 12.2468 12.2568 12.8388 12.8905 15.1679 15.1867 16.9716 16.9947 17.9839 18.0096 k =-0.4038 0.5028 0.5319 ( 1708 PWs) bands (ev): -29.3227 -29.3227 -10.5355 -10.5285 -9.2118 -9.2065 -9.0504 -9.0348 -1.7541 -1.7499 4.4669 4.4738 6.6706 6.6760 7.5774 7.6220 8.1384 8.1529 10.3294 10.3449 10.4355 10.4358 11.4963 11.5274 11.9178 11.9694 12.2478 12.2575 12.8252 12.8750 15.1680 15.1852 17.0184 17.0405 17.9732 17.9966 k =-0.4107 0.4936 0.5319 ( 1710 PWs) bands (ev): -29.3224 -29.3224 -10.5359 -10.5293 -9.2120 -9.2071 -9.0514 -9.0367 -1.7539 -1.7500 4.5023 4.5091 6.6114 6.6162 7.5753 7.6174 8.1455 8.1592 10.3400 10.3508 10.3980 10.4026 11.5314 11.5604 11.9369 11.9860 12.2490 12.2582 12.8107 12.8583 15.1699 15.1854 17.0644 17.0855 17.9665 17.9877 k =-0.4175 0.4844 0.5319 ( 1714 PWs) bands (ev): -29.3222 -29.3222 -10.5363 -10.5301 -9.2123 -9.2077 -9.0523 -9.0385 -1.7538 -1.7502 4.5390 4.5456 6.5524 6.5566 7.5730 7.6125 8.1520 8.1648 10.3310 10.3323 10.3833 10.3969 11.5646 11.5916 11.9550 12.0013 12.2503 12.2590 12.7958 12.8408 15.1730 15.1868 17.1092 17.1293 17.9636 17.9827 k =-0.4244 0.4752 0.5319 ( 1718 PWs) bands (ev): -29.3219 -29.3219 -10.5366 -10.5309 -9.2125 -9.2083 -9.0529 -9.0402 -1.7537 -1.7503 4.5766 4.5829 6.4940 6.4976 7.5706 7.6073 8.1580 8.1699 10.3003 10.3016 10.3920 10.4075 11.5957 11.6206 11.9721 12.0154 12.2516 12.2598 12.7808 12.8230 15.1770 15.1891 17.1527 17.1716 17.9643 17.9814 k =-0.4313 0.4660 0.5319 ( 1718 PWs) bands (ev): -29.3217 -29.3217 -10.5369 -10.5316 -9.2127 -9.2089 -9.0535 -9.0418 -1.7537 -1.7505 4.6146 4.6207 6.4366 6.4397 7.5682 7.6019 8.1634 8.1743 10.2682 10.2699 10.4059 10.4211 11.6248 11.6475 11.9880 12.0281 12.2530 12.2605 12.7661 12.8053 15.1815 15.1920 17.1946 17.2123 17.9683 17.9834 k =-0.4381 0.4569 0.5319 ( 1718 PWs) bands (ev): -29.3215 -29.3215 -10.5371 -10.5323 -9.2129 -9.2095 -9.0539 -9.0433 -1.7536 -1.7508 4.6526 4.6584 6.3808 6.3834 7.5658 7.5965 8.1683 8.1782 10.2385 10.2403 10.4204 10.4349 11.6515 11.6721 12.0028 12.0395 12.2544 12.2613 12.7520 12.7880 15.1862 15.1952 17.2344 17.2508 17.9751 17.9884 k =-0.4450 0.4477 0.5319 ( 1718 PWs) bands (ev): -29.3213 -29.3213 -10.5373 -10.5329 -9.2131 -9.2101 -9.0542 -9.0447 -1.7536 -1.7510 4.6902 4.6956 6.3273 6.3293 7.5636 7.5912 8.1726 8.1815 10.2117 10.2134 10.4346 10.4480 11.6760 11.6944 12.0163 12.0494 12.2558 12.2619 12.7388 12.7713 15.1908 15.1985 17.2719 17.2869 17.9843 17.9958 k =-0.4519 0.4385 0.5319 ( 1718 PWs) bands (ev): -29.3212 -29.3212 -10.5374 -10.5335 -9.2132 -9.2106 -9.0543 -9.0460 -1.7535 -1.7512 4.7266 4.7316 6.2766 6.2782 7.5617 7.5860 8.1765 8.1843 10.1881 10.1896 10.4479 10.4601 11.6979 11.7141 12.0285 12.0578 12.2572 12.2625 12.7268 12.7557 15.1952 15.2016 17.3066 17.3201 17.9953 18.0051 k =-0.4588 0.4293 0.5319 ( 1718 PWs) bands (ev): -29.3210 -29.3210 -10.5374 -10.5341 -9.2133 -9.2111 -9.0544 -9.0472 -1.7535 -1.7515 4.7611 4.7656 6.2297 6.2308 7.5601 7.5811 8.1799 8.1866 10.1676 10.1690 10.4602 10.4710 11.7172 11.7311 12.0395 12.0649 12.2584 12.2630 12.7163 12.7414 15.1992 15.2045 17.3380 17.3499 18.0073 18.0156 k =-0.4656 0.4201 0.5319 ( 1718 PWs) bands (ev): -29.3209 -29.3209 -10.5374 -10.5346 -9.2134 -9.2115 -9.0543 -9.0483 -1.7534 -1.7517 4.7928 4.7967 6.1873 6.1882 7.5590 7.5766 8.1828 8.1885 10.1502 10.1514 10.4712 10.4804 11.7339 11.7455 12.0491 12.0704 12.2596 12.2634 12.7073 12.7285 15.2028 15.2070 17.3658 17.3759 18.0196 18.0264 k =-0.4725 0.4110 0.5319 ( 1722 PWs) bands (ev): -29.3208 -29.3208 -10.5374 -10.5351 -9.2134 -9.2119 -9.0541 -9.0493 -1.7533 -1.7520 4.8209 4.8241 6.1507 6.1512 7.5583 7.5724 8.1852 8.1898 10.1361 10.1371 10.4805 10.4881 11.7477 11.7570 12.0574 12.0746 12.2606 12.2636 12.7002 12.7173 15.2058 15.2091 17.3895 17.3978 18.0314 18.0367 k =-0.4794 0.4018 0.5319 ( 1722 PWs) bands (ev): -29.3208 -29.3208 -10.5373 -10.5356 -9.2134 -9.2123 -9.0538 -9.0502 -1.7532 -1.7522 4.8442 4.8467 6.1207 6.1210 7.5581 7.5687 8.1873 8.1907 10.1252 10.1259 10.4881 10.4939 11.7588 11.7658 12.0643 12.0773 12.2616 12.2638 12.6951 12.7080 15.2083 15.2106 17.4086 17.4150 18.0419 18.0458 k =-0.4863 0.3926 0.5319 ( 1718 PWs) bands (ev): -29.3207 -29.3207 -10.5371 -10.5360 -9.2133 -9.2126 -9.0535 -9.0510 -1.7531 -1.7524 4.8619 4.8636 6.0983 6.0985 7.5584 7.5655 8.1889 8.1912 10.1176 10.1181 10.4940 10.4979 11.7671 11.7718 12.0699 12.0786 12.2624 12.2639 12.6919 12.7006 15.2101 15.2117 17.4229 17.4272 18.0503 18.0529 k =-0.4931 0.3834 0.5319 ( 1718 PWs) bands (ev): -29.3207 -29.3207 -10.5369 -10.5363 -9.2132 -9.2128 -9.0530 -9.0518 -1.7530 -1.7526 4.8731 4.8740 6.0846 6.0847 7.5594 7.5629 8.1901 8.1912 10.1130 10.1133 10.4979 10.4999 11.7726 11.7749 12.0741 12.0785 12.2630 12.2637 12.6909 12.6953 15.2114 15.2122 17.4321 17.4342 18.0558 18.0571 k =-0.5000 0.3742 0.5319 ( 1720 PWs) bands (ev): -29.3207 -29.3207 -10.5367 -10.5367 -9.2130 -9.2130 -9.0524 -9.0524 -1.7528 -1.7528 4.8772 4.8772 6.0799 6.0799 7.5609 7.5609 8.1909 8.1909 10.1116 10.1116 10.4999 10.4999 11.7751 11.7751 12.0770 12.0770 12.2634 12.2634 12.6920 12.6920 15.2121 15.2121 17.4359 17.4359 18.0582 18.0582 k =-0.5000 0.3742 0.5319 ( 1720 PWs) bands (ev): -29.3207 -29.3207 -10.5367 -10.5367 -9.2130 -9.2130 -9.0524 -9.0524 -1.7528 -1.7528 4.8772 4.8772 6.0799 6.0799 7.5609 7.5609 8.1909 8.1909 10.1116 10.1116 10.4999 10.4999 11.7751 11.7751 12.0770 12.0770 12.2634 12.2634 12.6920 12.6920 15.2121 15.2121 17.4359 17.4359 18.0582 18.0582 k =-0.5000 0.3742 0.5201 ( 1724 PWs) bands (ev): -29.3207 -29.3207 -10.5371 -10.5360 -9.2138 -9.2119 -9.0528 -9.0523 -1.7529 -1.7523 4.8778 4.8779 6.0794 6.0795 7.5614 7.5626 8.1887 8.1894 10.1099 10.1128 10.4982 10.5016 11.7749 11.7752 12.0424 12.0887 12.2362 12.3025 12.6878 12.7097 15.2111 15.2119 17.4265 17.4304 18.0632 18.0689 k =-0.5000 0.3742 0.5083 ( 1728 PWs) bands (ev): -29.3208 -29.3208 -10.5373 -10.5351 -9.2140 -9.2102 -9.0533 -9.0524 -1.7525 -1.7513 4.8798 4.8799 6.0779 6.0781 7.5643 7.5666 8.1828 8.1842 10.1078 10.1135 10.4968 10.5035 11.7748 11.7753 11.9968 12.0649 12.2353 12.3398 12.6988 12.7389 15.2089 15.2106 17.4036 17.4109 18.0833 18.0941 k =-0.5000 0.3742 0.4965 ( 1718 PWs) bands (ev): -29.3210 -29.3210 -10.5372 -10.5340 -9.2138 -9.2081 -9.0540 -9.0527 -1.7517 -1.7499 4.8831 4.8832 6.0754 6.0759 7.5694 7.5730 8.1734 8.1754 10.1053 10.1138 10.4957 10.5058 11.7748 11.7756 11.9451 12.0165 12.2519 12.3700 12.7256 12.7779 15.2057 15.2082 17.3701 17.3797 18.1160 18.1310 k =-0.5000 0.3742 0.4846 ( 1718 PWs) bands (ev): -29.3212 -29.3212 -10.5369 -10.5327 -9.2132 -9.2056 -9.0550 -9.0532 -1.7504 -1.7481 4.8877 4.8879 6.0721 6.0727 7.5768 7.5814 8.1604 8.1631 10.1024 10.1136 10.4947 10.5080 11.7746 11.7757 11.8895 11.9580 12.2728 12.3920 12.7668 12.8250 15.2013 15.2046 17.3286 17.3399 18.1584 18.1766 k =-0.5000 0.3742 0.4728 ( 1722 PWs) bands (ev): -29.3215 -29.3215 -10.5364 -10.5312 -9.2121 -9.2026 -9.0561 -9.0539 -1.7487 -1.7459 4.8936 4.8938 6.0678 6.0687 7.5862 7.5919 8.1439 8.1474 10.0990 10.1127 10.4939 10.5103 11.7742 11.7758 11.8314 11.8957 12.2934 12.4076 12.8194 12.8788 15.1959 15.2000 17.2817 17.2940 18.2077 18.2284 k =-0.5000 0.3742 0.4610 ( 1722 PWs) bands (ev): -29.3219 -29.3219 -10.5357 -10.5295 -9.2105 -9.1992 -9.0574 -9.0547 -1.7466 -1.7432 4.9007 4.9009 6.0628 6.0640 7.5976 7.6044 8.1241 8.1284 10.0954 10.1116 10.4933 10.5126 11.7718 11.7729 11.7760 11.8328 12.3126 12.4189 12.8801 12.9378 15.1896 15.1944 17.2313 17.2440 18.2620 18.2842 k =-0.5000 0.3742 0.4492 ( 1726 PWs) bands (ev): -29.3224 -29.3224 -10.5347 -10.5276 -9.2086 -9.1954 -9.0589 -9.0557 -1.7441 -1.7401 4.9091 4.9094 6.0571 6.0586 7.6108 7.6186 8.1012 8.1063 10.0916 10.1102 10.4927 10.5149 11.7113 11.7576 11.7761 11.7833 12.3303 12.4278 12.9464 13.0010 15.1823 15.1879 17.1785 17.1914 18.3198 18.3404 k =-0.5000 0.3742 0.4374 ( 1734 PWs) bands (ev): -29.3229 -29.3229 -10.5336 -10.5256 -9.2062 -9.1913 -9.0605 -9.0567 -1.7412 -1.7367 4.9186 4.9190 6.0506 6.0526 7.6257 7.6344 8.0753 8.0813 10.0876 10.1084 10.4922 10.5171 11.6504 11.6991 11.7762 11.7772 12.3469 12.4356 13.0164 13.0672 15.1742 15.1806 17.1242 17.1372 18.3475 18.3495 k =-0.5000 0.3742 0.4255 ( 1730 PWs) bands (ev): -29.3235 -29.3235 -10.5323 -10.5234 -9.2035 -9.1867 -9.0623 -9.0579 -1.7379 -1.7330 4.9293 4.9297 6.0436 6.0462 7.6421 7.6517 8.0467 8.0536 10.0835 10.1063 10.4918 10.5192 11.5897 11.6360 11.7763 11.7763 12.3628 12.4431 13.0890 13.1360 15.1655 15.1725 17.0692 17.0820 18.2899 18.2928 k =-0.5000 0.3742 0.4137 ( 1732 PWs) bands (ev): -29.3241 -29.3241 -10.5308 -10.5211 -9.2004 -9.1818 -9.0641 -9.0591 -1.7343 -1.7289 4.9412 4.9416 6.0361 6.0392 7.6597 7.6701 8.0156 8.0235 10.0792 10.1040 10.4913 10.5211 11.5293 11.5731 11.7759 11.7764 12.3782 12.4506 13.1634 13.2065 15.1560 15.1637 17.0139 17.0265 18.2256 18.2302 k =-0.5000 0.3742 0.4019 ( 1732 PWs) bands (ev): -29.3248 -29.3248 -10.5292 -10.5187 -9.1969 -9.1767 -9.0659 -9.0603 -1.7304 -1.7245 4.9541 4.9545 6.0282 6.0319 7.6785 7.6895 7.9824 7.9913 10.0750 10.1016 10.4907 10.5227 11.4696 11.5110 11.7758 11.7766 12.3932 12.4584 13.2389 13.2785 15.1461 15.1543 16.9586 16.9708 18.1577 18.1635 k =-0.5000 0.3742 0.3901 ( 1724 PWs) bands (ev): -29.3255 -29.3255 -10.5274 -10.5162 -9.1932 -9.1714 -9.0676 -9.0614 -1.7261 -1.7198 4.9679 4.9685 6.0199 6.0243 7.6980 7.7096 7.9474 7.9573 10.0710 10.0992 10.4902 10.5242 11.4108 11.4500 11.7757 11.7767 12.4080 12.4666 13.3153 13.3514 15.1357 15.1445 16.9035 16.9155 18.0870 18.0939 k =-0.5000 0.3742 0.3783 ( 1724 PWs) bands (ev): -29.3263 -29.3263 -10.5255 -10.5136 -9.1893 -9.1659 -9.0693 -9.0624 -1.7216 -1.7149 4.9828 4.9833 6.0112 6.0165 7.7180 7.7300 7.9110 7.9219 10.0670 10.0967 10.4892 10.5251 11.3530 11.3903 11.7757 11.7769 12.4226 12.4753 13.3922 13.4250 15.1250 15.1343 16.8490 16.8606 18.0142 18.0221 k =-0.5000 0.3742 0.3664 ( 1724 PWs) bands (ev): -29.3271 -29.3271 -10.5236 -10.5110 -9.1853 -9.1605 -9.0707 -9.0633 -1.7168 -1.7098 4.9985 4.9991 6.0023 6.0084 7.7379 7.7498 7.8744 7.8858 10.0631 10.0942 10.4880 10.5257 11.2964 11.3320 11.7757 11.7771 12.4372 12.4844 13.4693 13.4991 15.1141 15.1239 16.7950 16.8062 17.9400 17.9488 k =-0.5000 0.3742 0.3546 ( 1724 PWs) bands (ev): -29.3280 -29.3280 -10.5215 -10.5084 -9.1813 -9.1551 -9.0718 -9.0638 -1.7118 -1.7044 5.0150 5.0156 5.9931 6.0001 7.7562 7.7662 7.8403 7.8506 10.0594 10.0918 10.4865 10.5258 11.2411 11.2751 11.7757 11.7772 12.4517 12.4939 13.5466 13.5735 15.1030 15.1132 16.7418 16.7526 17.8649 17.8748 k =-0.5000 0.3742 0.3428 ( 1720 PWs) bands (ev): -29.3289 -29.3289 -10.5194 -10.5058 -9.1773 -9.1501 -9.0722 -9.0639 -1.7066 -1.6990 5.0322 5.0329 5.9836 5.9916 7.7657 7.7665 7.8225 7.8228 10.0561 10.0897 10.4847 10.5254 11.1873 11.2197 11.7757 11.7774 12.4664 12.5039 13.6238 13.6479 15.0919 15.1025 16.6895 16.6999 17.7895 17.8004 k =-0.5000 0.3742 0.3310 ( 1720 PWs) bands (ev): -29.3299 -29.3298 -10.5172 -10.5033 -9.1734 -9.1457 -9.0720 -9.0636 -1.7013 -1.6934 5.0501 5.0508 5.9740 5.9829 7.7372 7.7503 7.8212 7.8321 10.0531 10.0877 10.4824 10.5244 11.1350 11.1660 11.7758 11.7776 12.4809 12.5142 13.7009 13.7223 15.0809 15.0918 16.6380 16.6481 17.7144 17.7264 k =-0.5000 0.3742 0.3192 ( 1718 PWs) bands (ev): -29.3308 -29.3308 -10.5150 -10.5008 -9.1699 -9.1420 -9.0707 -9.0627 -1.6958 -1.6877 5.0686 5.0694 5.9640 5.9740 7.6994 7.7164 7.8369 7.8506 10.0505 10.0861 10.4797 10.5229 11.0843 11.1140 11.7758 11.7778 12.4955 12.5248 13.7776 13.7965 15.0701 15.0813 16.5876 16.5972 17.6400 17.6531 k =-0.5000 0.3742 0.3073 ( 1718 PWs) bands (ev): -29.3318 -29.3318 -10.5128 -10.4983 -9.1668 -9.1393 -9.0682 -9.0610 -1.6902 -1.6819 5.0875 5.0884 5.9539 5.9649 7.6597 7.6787 7.8563 7.8709 10.0482 10.0847 10.4764 10.5208 11.0352 11.0637 11.7758 11.7779 12.5100 12.5357 13.8540 13.8705 15.0595 15.0709 16.5382 16.5475 17.5667 17.5809 k =-0.5000 0.3742 0.2955 ( 1718 PWs) bands (ev): -29.3328 -29.3328 -10.5106 -10.4959 -9.1643 -9.1378 -9.0645 -9.0585 -1.6846 -1.6761 5.1069 5.1078 5.9434 5.9555 7.6198 7.6404 7.8763 7.8913 10.0465 10.0838 10.4727 10.5180 10.9880 11.0152 11.7759 11.7781 12.5244 12.5467 13.9299 13.9440 15.0493 15.0609 16.4900 16.4988 17.4949 17.5104 k =-0.5000 0.3742 0.2837 ( 1710 PWs) bands (ev): -29.3338 -29.3338 -10.5084 -10.4936 -9.1623 -9.1372 -9.0595 -9.0552 -1.6789 -1.6703 5.1265 5.1275 5.9327 5.9457 7.5804 7.6024 7.8962 7.9115 10.0453 10.0834 10.4684 10.5146 10.9426 10.9687 11.7759 11.7782 12.5388 12.5580 14.0053 14.0172 15.0395 15.0512 16.4429 16.4514 17.4250 17.4417 k =-0.5000 0.3742 0.2719 ( 1718 PWs) bands (ev): -29.3348 -29.3348 -10.5063 -10.4915 -9.1610 -9.1376 -9.0535 -9.0510 -1.6732 -1.6646 5.1464 5.1474 5.9217 5.9356 7.5419 7.5652 7.9155 7.9309 10.0446 10.0834 10.4634 10.5104 10.8989 10.9238 11.7759 11.7783 12.5528 12.5692 14.0799 14.0897 15.0301 15.0419 16.3970 16.4051 17.3573 17.3752 k =-0.5000 0.3742 0.2601 ( 1718 PWs) bands (ev): -29.3359 -29.3358 -10.5042 -10.4894 -9.1603 -9.1388 -9.0466 -9.0459 -1.6675 -1.6589 5.1664 5.1674 5.9103 5.9252 7.5048 7.5292 7.9342 7.9496 10.0445 10.0840 10.4579 10.5055 10.8573 10.8810 11.7759 11.7784 12.5668 12.5805 14.1538 14.1616 15.0213 15.0331 16.3523 16.3601 17.2920 17.3112 k =-0.5000 0.3742 0.2482 ( 1720 PWs) bands (ev): -29.3369 -29.3369 -10.5021 -10.4875 -9.1602 -9.1406 -9.0401 -9.0391 -1.6619 -1.6533 5.1864 5.1875 5.8986 5.9142 7.4691 7.4947 7.9520 7.9674 10.0451 10.0851 10.4517 10.5000 10.8175 10.8401 11.7759 11.7784 12.5804 12.5918 14.2268 14.2327 15.0131 15.0249 16.3090 16.3164 17.2295 17.2501 k =-0.5000 0.3742 0.2364 ( 1720 PWs) bands (ev): -29.3379 -29.3379 -10.5001 -10.4857 -9.1605 -9.1427 -9.0337 -9.0311 -1.6563 -1.6478 5.2063 5.2075 5.8865 5.9028 7.4354 7.4618 7.9689 7.9842 10.0462 10.0869 10.4450 10.4937 10.7798 10.8012 11.7759 11.7785 12.5938 12.6030 14.2987 14.3029 15.0055 15.0172 16.2670 16.2740 17.1700 17.1920 k =-0.5000 0.3742 0.2246 ( 1716 PWs) bands (ev): -29.3389 -29.3389 -10.4982 -10.4840 -9.1613 -9.1452 -9.0267 -9.0228 -1.6508 -1.6424 5.2261 5.2273 5.8741 5.8910 7.4037 7.4308 7.9847 7.9999 10.0481 10.0892 10.4376 10.4867 10.7442 10.7644 11.7759 11.7785 12.6070 12.6141 14.3696 14.3721 14.9986 15.0102 16.2264 16.2330 17.1137 17.1372 k =-0.5000 0.3742 0.2128 ( 1708 PWs) bands (ev): -29.3399 -29.3399 -10.4963 -10.4825 -9.1625 -9.1478 -9.0193 -9.0142 -1.6454 -1.6372 5.2455 5.2469 5.8613 5.8786 7.3742 7.4019 7.9995 8.0145 10.0507 10.0923 10.4296 10.4791 10.7105 10.7296 11.7759 11.7786 12.6197 12.6251 14.4391 14.4402 14.9924 15.0038 16.1873 16.1936 17.0610 17.0859 k =-0.5000 0.3742 0.2010 ( 1710 PWs) bands (ev): -29.3408 -29.3408 -10.4945 -10.4811 -9.1638 -9.1506 -9.0115 -9.0057 -1.6402 -1.6321 5.2646 5.2660 5.8483 5.8658 7.3470 7.3751 8.0131 8.0278 10.0539 10.0960 10.4210 10.4707 10.6788 10.6967 11.7759 11.7785 12.6320 12.6358 14.5069 14.5072 14.9869 14.9981 16.1496 16.1555 17.0119 17.0384 k =-0.5000 0.3742 0.1891 ( 1712 PWs) bands (ev): -29.3417 -29.3417 -10.4928 -10.4798 -9.1654 -9.1534 -9.0037 -8.9971 -1.6352 -1.6273 5.2833 5.2847 5.8350 5.8526 7.3223 7.3504 8.0256 8.0399 10.0578 10.1003 10.4118 10.4616 10.6491 10.6658 11.7759 11.7785 12.6438 12.6461 14.5721 14.5735 14.9821 14.9931 16.1135 16.1190 16.9668 16.9948 k =-0.5000 0.3742 0.1773 ( 1702 PWs) bands (ev): -29.3426 -29.3426 -10.4912 -10.4787 -9.1671 -9.1563 -8.9957 -8.9887 -1.6303 -1.6227 5.3013 5.3028 5.8216 5.8391 7.3000 7.3280 8.0369 8.0508 10.0624 10.1054 10.4021 10.4519 10.6216 10.6371 11.7759 11.7785 12.6551 12.6562 14.6357 14.6380 14.9780 14.9888 16.0789 16.0842 16.9259 16.9555 k =-0.5000 0.3742 0.1655 ( 1698 PWs) bands (ev): -29.3435 -29.3435 -10.4896 -10.4777 -9.1689 -9.1591 -8.9877 -8.9805 -1.6256 -1.6184 5.3187 5.3203 5.8081 5.8253 7.2802 7.3078 8.0471 8.0605 10.0678 10.1111 10.3918 10.4416 10.5960 10.6103 11.7759 11.7784 12.6658 12.6659 14.6971 14.7004 14.9746 14.9852 16.0461 16.0510 16.8893 16.9205 k =-0.5000 0.3742 0.1537 ( 1694 PWs) bands (ev): -29.3443 -29.3443 -10.4882 -10.4769 -9.1707 -9.1618 -8.9798 -8.9725 -1.6212 -1.6143 5.3354 5.3370 5.7947 5.8114 7.2628 7.2897 8.0562 8.0690 10.0739 10.1175 10.3811 10.4308 10.5724 10.5854 11.7759 11.7783 12.6752 12.6759 14.7563 14.7602 14.9720 14.9823 16.0149 16.0195 16.8573 16.8899 k =-0.5000 0.3742 0.1418 ( 1698 PWs) bands (ev): -29.3451 -29.3451 -10.4868 -10.4762 -9.1724 -9.1645 -8.9722 -8.9650 -1.6170 -1.6105 5.3511 5.3528 5.7816 5.7975 7.2477 7.2737 8.0642 8.0764 10.0806 10.1245 10.3700 10.4194 10.5507 10.5625 11.7758 11.7781 12.6838 12.6852 14.8127 14.8173 14.9700 14.9801 15.9856 15.9898 16.8300 16.8641 k =-0.5000 0.3742 0.1300 ( 1698 PWs) bands (ev): -29.3458 -29.3458 -10.4855 -10.4756 -9.1741 -9.1670 -8.9648 -8.9578 -1.6131 -1.6070 5.3660 5.3677 5.7687 5.7838 7.2349 7.2597 8.0712 8.0827 10.0880 10.1321 10.3584 10.4076 10.5309 10.5415 11.7757 11.7780 12.6920 12.6939 14.8659 14.8712 14.9687 14.9788 15.9581 15.9621 16.8076 16.8429 k =-0.5000 0.3742 0.1182 ( 1702 PWs) bands (ev): -29.3465 -29.3465 -10.4843 -10.4752 -9.1758 -9.1694 -8.9578 -8.9511 -1.6094 -1.6037 5.3799 5.3816 5.7564 5.7705 7.2241 7.2475 8.0772 8.0880 10.0960 10.1403 10.3466 10.3954 10.5129 10.5223 11.7756 11.7777 12.6997 12.7020 14.9145 14.9210 14.9685 14.9792 15.9327 15.9363 16.7902 16.8265 k =-0.5000 0.3742 0.1064 ( 1706 PWs) bands (ev): -29.3472 -29.3472 -10.4831 -10.4748 -9.1773 -9.1717 -8.9512 -8.9448 -1.6060 -1.6008 5.3926 5.3944 5.7447 5.7577 7.2153 7.2370 8.0824 8.0923 10.1046 10.1489 10.3345 10.3829 10.4967 10.5050 11.7756 11.7775 12.7068 12.7092 14.9530 14.9591 14.9769 14.9867 15.9093 15.9125 16.7778 16.8148 k =-0.5000 0.3742 0.0946 ( 1706 PWs) bands (ev): -29.3477 -29.3477 -10.4821 -10.4746 -9.1787 -9.1738 -8.9451 -8.9392 -1.6029 -1.5982 5.4043 5.4060 5.7339 5.7455 7.2081 7.2281 8.0868 8.0958 10.1138 10.1581 10.3224 10.3702 10.4824 10.4896 11.7756 11.7773 12.7132 12.7158 14.9644 14.9664 15.0143 15.0157 15.8880 15.8909 16.7703 16.8075 k =-0.5000 0.3742 0.0827 ( 1710 PWs) bands (ev): -29.3482 -29.3482 -10.4811 -10.4745 -9.1799 -9.1757 -8.9395 -8.9342 -1.6001 -1.5960 5.4147 5.4164 5.7240 5.7343 7.2026 7.2204 8.0905 8.0985 10.1236 10.1677 10.3103 10.3574 10.4696 10.4758 11.7756 11.7771 12.7190 12.7216 14.9652 14.9688 15.0517 15.0522 15.8690 15.8716 16.7675 16.8041 k =-0.5000 0.3742 0.0709 ( 1708 PWs) bands (ev): -29.3487 -29.3487 -10.4802 -10.4744 -9.1810 -9.1774 -8.9344 -8.9298 -1.5976 -1.5940 5.4239 5.4255 5.7152 5.7241 7.1984 7.2140 8.0937 8.1006 10.1338 10.1774 10.2984 10.3445 10.4587 10.4639 11.7756 11.7770 12.7242 12.7266 14.9659 14.9694 15.0850 15.0859 15.8523 15.8546 16.7690 16.8043 k =-0.5000 0.3742 0.0591 ( 1708 PWs) bands (ev): -29.3491 -29.3491 -10.4793 -10.4745 -9.1818 -9.1789 -8.9301 -8.9261 -1.5955 -1.5924 5.4318 5.4332 5.7077 5.7151 7.1954 7.2087 8.0962 8.1022 10.1443 10.1868 10.2871 10.3316 10.4495 10.4538 11.7756 11.7767 12.7288 12.7309 14.9665 14.9697 15.1139 15.1149 15.8381 15.8400 16.7741 16.8069 k =-0.5000 0.3742 0.0473 ( 1712 PWs) bands (ev): -29.3494 -29.3494 -10.4785 -10.4747 -9.1825 -9.1802 -8.9263 -8.9231 -1.5936 -1.5912 5.4384 5.4396 5.7015 5.7074 7.1934 7.2042 8.0983 8.1031 10.1552 10.1957 10.2767 10.3188 10.4421 10.4455 11.7756 11.7765 12.7324 12.7343 14.9672 14.9699 15.1380 15.1388 15.8263 15.8279 16.7820 16.8110 k =-0.5000 0.3742 0.0355 ( 1708 PWs) bands (ev): -29.3496 -29.3496 -10.4778 -10.4749 -9.1830 -9.1812 -8.9233 -8.9208 -1.5921 -1.5903 5.4436 5.4445 5.6967 5.7012 7.1924 7.2006 8.1000 8.1036 10.1663 10.2026 10.2687 10.3063 10.4364 10.4389 11.7756 11.7763 12.7355 12.7369 14.9679 14.9700 15.1569 15.1575 15.8172 15.8183 16.7914 16.8151 k =-0.5000 0.3742 0.0236 ( 1712 PWs) bands (ev): -29.3498 -29.3498 -10.4771 -10.4752 -9.1832 -9.1821 -8.9210 -8.9194 -1.5909 -1.5897 5.4473 5.4480 5.6934 5.6964 7.1921 7.1976 8.1014 8.1038 10.1772 10.2058 10.2648 10.2942 10.4323 10.4340 11.7757 11.7762 12.7377 12.7387 14.9685 14.9699 15.1705 15.1709 15.8106 15.8114 16.8010 16.8179 k =-0.5000 0.3742 0.0118 ( 1708 PWs) bands (ev): -29.3499 -29.3499 -10.4765 -10.4756 -9.1833 -9.1827 -8.9194 -8.9186 -1.5901 -1.5895 5.4497 5.4500 5.6918 5.6933 7.1926 7.1953 8.1024 8.1036 10.1877 10.2037 10.2667 10.2830 10.4301 10.4310 11.7759 11.7762 12.7392 12.7397 14.9691 14.9698 15.1788 15.1790 15.8068 15.8072 16.8094 16.8182 k =-0.5000 0.3742 0.0000 ( 1710 PWs) bands (ev): -29.3499 -29.3499 -10.4760 -10.4760 -9.1831 -9.1831 -8.9187 -8.9187 -1.5896 -1.5896 5.4506 5.4506 5.6917 5.6917 7.1936 7.1936 8.1032 8.1032 10.1970 10.1970 10.2734 10.2734 10.4296 10.4296 11.7760 11.7760 12.7398 12.7398 14.9695 14.9695 15.1816 15.1816 15.8056 15.8056 16.8154 16.8154 k = 0.0000 0.0000 0.5319 ( 1702 PWs) bands (ev): -29.3466 -29.3466 -10.5077 -10.5077 -9.2097 -9.2097 -8.8410 -8.8410 -1.7465 -1.7465 5.1236 5.1236 6.4911 6.4911 7.2121 7.2121 7.7484 7.7484 10.1995 10.1995 10.6410 10.6410 11.0850 11.0850 12.1953 12.1953 12.9233 12.9233 13.2888 13.2888 14.1058 14.1058 15.1358 15.1358 17.1102 17.1102 k =-0.0094 0.0071 0.5319 ( 1698 PWs) bands (ev): -29.3466 -29.3466 -10.5077 -10.5077 -9.2097 -9.2097 -8.8412 -8.8412 -1.7466 -1.7466 5.1234 5.1234 6.4921 6.4921 7.2109 7.2109 7.7498 7.7498 10.1999 10.1999 10.6403 10.6403 11.0856 11.0856 12.1950 12.1950 12.9245 12.9245 13.2857 13.2857 14.1079 14.1079 15.1319 15.1319 17.1110 17.1110 k =-0.0189 0.0141 0.5319 ( 1698 PWs) bands (ev): -29.3465 -29.3465 -10.5077 -10.5077 -9.2098 -9.2098 -8.8418 -8.8418 -1.7469 -1.7469 5.1228 5.1228 6.4951 6.4951 7.2071 7.2071 7.7537 7.7537 10.2010 10.2010 10.6383 10.6383 11.0872 11.0872 12.1939 12.1939 12.9280 12.9280 13.2765 13.2765 14.1143 14.1143 15.1203 15.1203 17.1132 17.1132 k =-0.0283 0.0212 0.5319 ( 1698 PWs) bands (ev): -29.3464 -29.3464 -10.5077 -10.5077 -9.2099 -9.2099 -8.8428 -8.8428 -1.7474 -1.7474 5.1217 5.1217 6.5001 6.5001 7.2011 7.2011 7.7602 7.7602 10.2027 10.2027 10.6350 10.6350 11.0899 11.0899 12.1922 12.1922 12.9338 12.9338 13.2614 13.2614 14.1248 14.1248 15.1010 15.1010 17.1171 17.1171 k =-0.0377 0.0282 0.5319 ( 1702 PWs) bands (ev): -29.3462 -29.3462 -10.5078 -10.5078 -9.2099 -9.2099 -8.8442 -8.8442 -1.7481 -1.7481 5.1200 5.1200 6.5071 6.5071 7.1927 7.1927 7.7690 7.7690 10.2052 10.2052 10.6305 10.6305 11.0936 11.0936 12.1897 12.1897 12.9419 12.9419 13.2407 13.2407 14.1395 14.1395 15.0745 15.0745 17.1225 17.1225 k =-0.0472 0.0353 0.5319 ( 1706 PWs) bands (ev): -29.3460 -29.3460 -10.5078 -10.5078 -9.2101 -9.2101 -8.8460 -8.8460 -1.7489 -1.7489 5.1180 5.1180 6.5161 6.5161 7.1824 7.1824 7.7800 7.7800 10.2083 10.2083 10.6247 10.6247 11.0984 11.0984 12.1864 12.1864 12.9522 12.9522 13.2148 13.2148 14.1583 14.1583 15.0409 15.0409 17.1296 17.1296 k =-0.0566 0.0424 0.5319 ( 1710 PWs) bands (ev): -29.3458 -29.3458 -10.5078 -10.5078 -9.2102 -9.2102 -8.8483 -8.8483 -1.7500 -1.7500 5.1155 5.1155 6.5270 6.5270 7.1702 7.1702 7.7927 7.7927 10.2121 10.2121 10.6177 10.6177 11.1042 11.1042 12.1823 12.1823 12.9649 12.9649 13.1843 13.1843 14.1812 14.1812 15.0008 15.0008 17.1385 17.1385 k =-0.0660 0.0494 0.5319 ( 1710 PWs) bands (ev): -29.3455 -29.3455 -10.5079 -10.5079 -9.2104 -9.2104 -8.8508 -8.8508 -1.7511 -1.7511 5.1126 5.1126 6.5397 6.5397 7.1564 7.1564 7.8070 7.8070 10.2166 10.2166 10.6096 10.6096 11.1113 11.1113 12.1774 12.1774 12.9796 12.9796 13.1499 13.1499 14.2082 14.2082 14.9547 14.9547 17.1493 17.1493 k =-0.0755 0.0565 0.5319 ( 1710 PWs) bands (ev): -29.3452 -29.3452 -10.5080 -10.5080 -9.2105 -9.2105 -8.8538 -8.8538 -1.7524 -1.7524 5.1093 5.1093 6.5543 6.5543 7.1412 7.1412 7.8226 7.8226 10.2216 10.2216 10.6005 10.6005 11.1195 11.1195 12.1716 12.1716 12.9959 12.9959 13.1128 13.1128 14.2391 14.2391 14.9030 14.9030 17.1619 17.1619 k =-0.0849 0.0635 0.5319 ( 1710 PWs) bands (ev): -29.3448 -29.3448 -10.5080 -10.5080 -9.2107 -9.2107 -8.8571 -8.8571 -1.7538 -1.7538 5.1056 5.1056 6.5707 6.5707 7.1247 7.1247 7.8392 7.8392 10.2273 10.2273 10.5903 10.5903 11.1289 11.1289 12.1648 12.1648 13.0114 13.0114 13.0759 13.0759 14.2738 14.2738 14.8464 14.8464 17.1765 17.1765 k =-0.0943 0.0706 0.5319 ( 1714 PWs) bands (ev): -29.3444 -29.3444 -10.5082 -10.5082 -9.2109 -9.2109 -8.8608 -8.8608 -1.7554 -1.7554 5.1015 5.1015 6.5887 6.5887 7.1070 7.1070 7.8566 7.8566 10.2334 10.2334 10.5793 10.5793 11.1394 11.1394 12.1570 12.1570 13.0082 13.0082 13.0579 13.0579 14.3123 14.3123 14.7853 14.7853 17.1930 17.1930 k =-0.1038 0.0777 0.5319 ( 1710 PWs) bands (ev): -29.3439 -29.3439 -10.5083 -10.5083 -9.2111 -9.2111 -8.8648 -8.8648 -1.7569 -1.7569 5.0970 5.0970 6.6084 6.6084 7.0883 7.0883 7.8746 7.8746 10.2400 10.2400 10.5674 10.5674 11.1511 11.1511 12.1481 12.1481 12.9722 12.9722 13.0737 13.0737 14.3545 14.3545 14.7205 14.7205 17.2115 17.2115 k =-0.1132 0.0847 0.5319 ( 1710 PWs) bands (ev): -29.3435 -29.3435 -10.5085 -10.5085 -9.2113 -9.2113 -8.8690 -8.8690 -1.7586 -1.7586 5.0922 5.0922 6.6297 6.6297 7.0686 7.0686 7.8930 7.8930 10.2471 10.2471 10.5548 10.5548 11.1640 11.1640 12.1378 12.1378 12.9283 12.9283 13.0989 13.0989 14.4001 14.4001 14.6524 14.6524 17.2320 17.2320 k =-0.1226 0.0918 0.5319 ( 1710 PWs) bands (ev): -29.3429 -29.3429 -10.5086 -10.5086 -9.2115 -9.2115 -8.8736 -8.8736 -1.7603 -1.7603 5.0871 5.0871 6.6523 6.6523 7.0481 7.0481 7.9116 7.9116 10.2546 10.2546 10.5415 10.5415 11.1781 11.1781 12.1263 12.1263 12.8830 12.8830 13.1278 13.1278 14.4489 14.4489 14.5818 14.5818 17.2545 17.2545 k =-0.1321 0.0989 0.5319 ( 1718 PWs) bands (ev): -29.3424 -29.3424 -10.5089 -10.5089 -9.2117 -9.2117 -8.8785 -8.8785 -1.7621 -1.7621 5.0816 5.0816 6.6764 6.6764 7.0267 7.0267 7.9301 7.9301 10.2624 10.2624 10.5277 10.5277 11.1933 11.1933 12.1133 12.1133 12.8376 12.8376 13.1596 13.1596 14.4932 14.4932 14.5166 14.5166 17.2789 17.2789 k =-0.1415 0.1059 0.5319 ( 1716 PWs) bands (ev): -29.3418 -29.3418 -10.5092 -10.5092 -9.2119 -9.2119 -8.8836 -8.8836 -1.7638 -1.7638 5.0759 5.0759 6.7016 6.7016 7.0046 7.0046 7.9485 7.9485 10.2705 10.2705 10.5134 10.5134 11.2098 11.2098 12.0990 12.0990 12.7932 12.7932 13.1939 13.1939 14.4314 14.4314 14.5592 14.5592 17.3052 17.3052 k =-0.1509 0.1130 0.5319 ( 1716 PWs) bands (ev): -29.3412 -29.3412 -10.5095 -10.5095 -9.2121 -9.2121 -8.8889 -8.8889 -1.7655 -1.7655 5.0699 5.0699 6.7280 6.7280 6.9818 6.9818 7.9667 7.9667 10.2789 10.2789 10.4987 10.4987 11.2276 11.2276 12.0831 12.0831 12.7503 12.7503 13.2308 13.2308 14.3555 14.3555 14.6174 14.6174 17.3333 17.3333 k =-0.1604 0.1200 0.5319 ( 1716 PWs) bands (ev): -29.3406 -29.3406 -10.5098 -10.5098 -9.2123 -9.2123 -8.8945 -8.8945 -1.7671 -1.7671 5.0637 5.0637 6.7553 6.7553 6.9583 6.9583 7.9844 7.9844 10.2875 10.2875 10.4837 10.4837 11.2465 11.2465 12.0658 12.0658 12.7094 12.7094 13.2701 13.2701 14.2782 14.2782 14.6791 14.6791 17.3631 17.3631 k =-0.1698 0.1271 0.5319 ( 1712 PWs) bands (ev): -29.3399 -29.3399 -10.5102 -10.5102 -9.2125 -9.2125 -8.9002 -8.9002 -1.7687 -1.7687 5.0572 5.0572 6.7832 6.7832 6.9344 6.9344 8.0016 8.0016 10.2963 10.2963 10.4685 10.4685 11.2669 11.2669 12.0471 12.0471 12.6709 12.6709 13.3118 13.3118 14.2004 14.2004 14.7436 14.7436 17.3947 17.3947 k =-0.1792 0.1342 0.5319 ( 1708 PWs) bands (ev): -29.3392 -29.3392 -10.5107 -10.5107 -9.2126 -9.2126 -8.9061 -8.9061 -1.7702 -1.7702 5.0506 5.0506 6.8110 6.8110 6.9107 6.9107 8.0181 8.0181 10.3050 10.3050 10.4532 10.4532 11.2884 11.2884 12.0272 12.0272 12.6350 12.6350 13.3559 13.3559 14.1223 14.1223 14.8108 14.8108 17.4278 17.4278 k =-0.1887 0.1412 0.5319 ( 1706 PWs) bands (ev): -29.3385 -29.3385 -10.5112 -10.5112 -9.2128 -9.2128 -8.9121 -8.9121 -1.7716 -1.7716 5.0437 5.0437 6.8358 6.8358 6.8899 6.8899 8.0340 8.0340 10.3138 10.3138 10.4379 10.4379 11.3112 11.3112 12.0062 12.0062 12.6019 12.6019 13.4023 13.4023 14.0443 14.0443 14.8806 14.8806 17.4625 17.4625 k =-0.1981 0.1483 0.5319 ( 1706 PWs) bands (ev): -29.3378 -29.3378 -10.5117 -10.5117 -9.2129 -9.2129 -8.9183 -8.9183 -1.7728 -1.7728 5.0368 5.0368 6.8405 6.8405 6.8892 6.8892 8.0491 8.0491 10.3223 10.3223 10.4227 10.4227 11.3352 11.3352 11.9845 11.9845 12.5715 12.5715 13.4509 13.4509 13.9667 13.9667 14.9529 14.9529 17.4987 17.4987 k =-0.2075 0.1553 0.5319 ( 1702 PWs) bands (ev): -29.3371 -29.3371 -10.5124 -10.5124 -9.2130 -9.2130 -8.9245 -8.9245 -1.7740 -1.7740 5.0297 5.0297 6.8200 6.8200 6.9134 6.9134 8.0633 8.0633 10.3304 10.3304 10.4081 10.4081 11.3604 11.3604 11.9624 11.9624 12.5438 12.5438 13.5018 13.5018 13.8898 13.8898 15.0275 15.0275 17.5362 17.5362 k =-0.2170 0.1624 0.5319 ( 1698 PWs) bands (ev): -29.3363 -29.3363 -10.5130 -10.5130 -9.2130 -9.2130 -8.9308 -8.9308 -1.7749 -1.7749 5.0225 5.0225 6.7935 6.7935 6.9432 6.9432 8.0767 8.0767 10.3376 10.3376 10.3943 10.3943 11.3869 11.3869 11.9402 11.9402 12.5187 12.5187 13.5548 13.5548 13.8138 13.8138 15.1042 15.1042 17.5749 17.5749 k =-0.2264 0.1695 0.5319 ( 1698 PWs) bands (ev): -29.3356 -29.3356 -10.5137 -10.5137 -9.2131 -9.2131 -8.9372 -8.9372 -1.7757 -1.7757 5.0152 5.0152 6.7653 6.7653 6.9744 6.9744 8.0891 8.0891 10.3423 10.3423 10.3831 10.3831 11.4144 11.4144 11.9184 11.9184 12.4960 12.4960 13.6099 13.6099 13.7391 13.7391 15.1830 15.1830 17.6148 17.6148 k =-0.2358 0.1765 0.5319 ( 1704 PWs) bands (ev): -29.3348 -29.3348 -10.5145 -10.5145 -9.2132 -9.2132 -8.9436 -8.9436 -1.7764 -1.7764 5.0079 5.0079 6.7359 6.7359 7.0060 7.0060 8.1006 8.1006 10.3411 10.3411 10.3776 10.3776 11.4430 11.4430 11.8970 11.8970 12.4753 12.4753 13.6633 13.6633 13.6693 13.6693 15.2637 15.2637 17.6558 17.6558 k =-0.2453 0.1836 0.5319 ( 1708 PWs) bands (ev): -29.3340 -29.3340 -10.5153 -10.5153 -9.2132 -9.2132 -8.9499 -8.9499 -1.7768 -1.7768 5.0006 5.0006 6.7058 6.7058 7.0378 7.0378 8.1112 8.1112 10.3328 10.3328 10.3795 10.3795 11.4725 11.4725 11.8768 11.8768 12.4566 12.4566 13.5937 13.5937 13.7261 13.7261 15.3462 15.3462 17.6977 17.6977 k =-0.2547 0.1906 0.5319 ( 1704 PWs) bands (ev): -29.3333 -29.3333 -10.5162 -10.5162 -9.2132 -9.2132 -8.9563 -8.9563 -1.7771 -1.7771 4.9933 4.9933 6.6751 6.6751 7.0697 7.0697 8.1208 8.1208 10.3208 10.3208 10.3853 10.3853 11.5030 11.5030 11.8579 11.8579 12.4396 12.4396 13.5237 13.5237 13.7870 13.7870 15.4305 15.4305 17.7404 17.7404 k =-0.2642 0.1977 0.5319 ( 1704 PWs) bands (ev): -29.3325 -29.3325 -10.5171 -10.5171 -9.2132 -9.2132 -8.9626 -8.9626 -1.7772 -1.7772 4.9860 4.9860 6.6438 6.6438 7.1013 7.1013 8.1296 8.1296 10.3076 10.3076 10.3923 10.3923 11.5343 11.5343 11.8405 11.8405 12.4241 12.4241 13.4557 13.4557 13.8495 13.8495 15.5162 15.5162 17.7839 17.7839 k =-0.2736 0.2048 0.5319 ( 1704 PWs) bands (ev): -29.3317 -29.3317 -10.5180 -10.5180 -9.2131 -9.2131 -8.9688 -8.9688 -1.7770 -1.7770 4.9788 4.9788 6.6121 6.6121 7.1326 7.1326 8.1375 8.1375 10.2941 10.2941 10.3997 10.3997 11.5662 11.5662 11.8248 11.8248 12.4098 12.4098 13.3897 13.3897 13.9137 13.9137 15.6034 15.6034 17.8279 17.8279 k =-0.2830 0.2118 0.5319 ( 1708 PWs) bands (ev): -29.3310 -29.3310 -10.5190 -10.5190 -9.2131 -9.2131 -8.9749 -8.9749 -1.7767 -1.7767 4.9717 4.9717 6.5800 6.5800 7.1634 7.1634 8.1446 8.1446 10.2805 10.2805 10.4072 10.4072 11.5984 11.5984 11.8111 11.8111 12.3967 12.3967 13.3261 13.3261 13.9792 13.9792 15.6918 15.6918 17.8723 17.8723 k =-0.2925 0.2189 0.5319 ( 1700 PWs) bands (ev): -29.3302 -29.3302 -10.5200 -10.5200 -9.2130 -9.2130 -8.9809 -8.9809 -1.7762 -1.7762 4.9647 4.9647 6.5478 6.5478 7.1938 7.1938 8.1510 8.1510 10.2674 10.2674 10.4147 10.4147 11.6308 11.6308 11.7997 11.7997 12.3846 12.3846 13.2649 13.2649 14.0461 14.0461 15.7815 15.7815 17.9172 17.9172 k =-0.3019 0.2259 0.5319 ( 1696 PWs) bands (ev): -29.3295 -29.3295 -10.5211 -10.5211 -9.2130 -9.2130 -8.9867 -8.9867 -1.7755 -1.7755 4.9579 4.9579 6.5155 6.5155 7.2234 7.2234 8.1566 8.1566 10.2545 10.2545 10.4219 10.4219 11.6627 11.6627 11.7907 11.7907 12.3734 12.3734 13.2063 13.2063 14.1141 14.1141 15.8720 15.8720 17.9621 17.9621 k =-0.3113 0.2330 0.5319 ( 1696 PWs) bands (ev): -29.3288 -29.3288 -10.5221 -10.5221 -9.2129 -9.2129 -8.9924 -8.9924 -1.7747 -1.7747 4.9512 4.9512 6.4833 6.4833 7.2522 7.2522 8.1615 8.1615 10.2420 10.2420 10.4289 10.4289 11.6931 11.6931 11.7851 11.7851 12.3628 12.3628 13.1504 13.1504 14.1831 14.1831 15.9634 15.9634 18.0071 18.0071 k =-0.3208 0.2401 0.5319 ( 1702 PWs) bands (ev): -29.3281 -29.3281 -10.5232 -10.5232 -9.2129 -9.2129 -8.9979 -8.9979 -1.7737 -1.7737 4.9447 4.9447 6.4512 6.4512 7.2801 7.2801 8.1659 8.1659 10.2299 10.2299 10.4356 10.4356 11.7194 11.7194 11.7851 11.7851 12.3529 12.3529 13.0973 13.0973 14.2527 14.2527 16.0554 16.0554 18.0520 18.0520 k =-0.3302 0.2471 0.5319 ( 1702 PWs) bands (ev): -29.3274 -29.3274 -10.5243 -10.5243 -9.2128 -9.2128 -9.0032 -9.0032 -1.7726 -1.7726 4.9383 4.9383 6.4195 6.4195 7.3071 7.3071 8.1697 8.1697 10.2183 10.2183 10.4421 10.4421 11.7365 11.7365 11.7957 11.7957 12.3438 12.3438 13.0472 13.0472 14.3229 14.3229 16.1480 16.1480 18.0965 18.0965 k =-0.3396 0.2542 0.5319 ( 1706 PWs) bands (ev): -29.3267 -29.3267 -10.5254 -10.5254 -9.2128 -9.2128 -9.0083 -9.0083 -1.7714 -1.7714 4.9322 4.9322 6.3883 6.3883 7.3331 7.3331 8.1730 8.1730 10.2072 10.2072 10.4482 10.4482 11.7431 11.7431 11.8177 11.8177 12.3351 12.3351 13.0003 13.0003 14.3932 14.3932 16.2408 16.2408 18.1406 18.1406 k =-0.3491 0.2613 0.5319 ( 1706 PWs) bands (ev): -29.3261 -29.3261 -10.5264 -10.5264 -9.2128 -9.2128 -9.0132 -9.0132 -1.7701 -1.7701 4.9263 4.9263 6.3578 6.3578 7.3579 7.3579 8.1758 8.1758 10.1966 10.1966 10.4540 10.4540 11.7450 11.7450 11.8449 11.8449 12.3269 12.3269 12.9567 12.9567 14.4635 14.4635 16.3337 16.3337 18.1840 18.1840 k =-0.3585 0.2683 0.5319 ( 1714 PWs) bands (ev): -29.3255 -29.3255 -10.5275 -10.5275 -9.2127 -9.2127 -9.0178 -9.0178 -1.7687 -1.7687 4.9207 4.9207 6.3281 6.3281 7.3815 7.3815 8.1783 8.1783 10.1864 10.1864 10.4595 10.4595 11.7457 11.7457 11.8732 11.8732 12.3192 12.3192 12.9164 12.9164 14.5334 14.5334 16.4265 16.4265 18.2264 18.2264 k =-0.3679 0.2754 0.5319 ( 1722 PWs) bands (ev): -29.3249 -29.3249 -10.5285 -10.5285 -9.2127 -9.2127 -9.0222 -9.0222 -1.7672 -1.7672 4.9153 4.9153 6.2993 6.2993 7.4039 7.4039 8.1804 8.1804 10.1770 10.1770 10.4645 10.4645 11.7465 11.7465 11.9011 11.9011 12.3120 12.3120 12.8796 12.8796 14.6026 14.6026 16.5189 16.5189 18.2678 18.2678 k =-0.3774 0.2824 0.5319 ( 1726 PWs) bands (ev): -29.3243 -29.3243 -10.5295 -10.5295 -9.2127 -9.2127 -9.0263 -9.0263 -1.7657 -1.7657 4.9103 4.9103 6.2718 6.2718 7.4249 7.4249 8.1823 8.1823 10.1681 10.1681 10.4694 10.4694 11.7478 11.7478 11.9276 11.9276 12.3054 12.3054 12.8463 12.8463 14.6707 14.6707 16.6107 16.6107 18.3078 18.3078 k =-0.3868 0.2895 0.5319 ( 1728 PWs) bands (ev): -29.3238 -29.3238 -10.5305 -10.5305 -9.2127 -9.2127 -9.0301 -9.0301 -1.7642 -1.7642 4.9056 4.9056 6.2455 6.2455 7.4445 7.4445 8.1838 8.1838 10.1598 10.1599 10.4738 10.4738 11.7496 11.7496 11.9525 11.9525 12.2991 12.2991 12.8167 12.8167 14.7372 14.7372 16.7014 16.7014 18.3461 18.3461 k =-0.3962 0.2966 0.5319 ( 1724 PWs) bands (ev): -29.3233 -29.3233 -10.5314 -10.5314 -9.2127 -9.2127 -9.0337 -9.0337 -1.7626 -1.7626 4.9012 4.9012 6.2208 6.2208 7.4627 7.4627 8.1852 8.1852 10.1523 10.1523 10.4780 10.4780 11.7519 11.7519 11.9753 11.9753 12.2935 12.2935 12.7908 12.7908 14.8017 14.8017 16.7907 16.7907 18.3816 18.3816 k =-0.4057 0.3036 0.5319 ( 1728 PWs) bands (ev): -29.3229 -29.3229 -10.5322 -10.5322 -9.2128 -9.2128 -9.0369 -9.0369 -1.7612 -1.7612 4.8971 4.8971 6.1976 6.1976 7.4795 7.4795 8.1863 8.1863 10.1453 10.1453 10.4818 10.4818 11.7544 11.7544 11.9957 11.9957 12.2882 12.2882 12.7684 12.7684 14.8637 14.8637 16.8782 16.8782 18.3870 18.3870 k =-0.4151 0.3107 0.5319 ( 1732 PWs) bands (ev): -29.3225 -29.3225 -10.5330 -10.5330 -9.2128 -9.2128 -9.0398 -9.0398 -1.7598 -1.7598 4.8934 4.8934 6.1762 6.1762 7.4948 7.4948 8.1873 8.1873 10.1389 10.1389 10.4852 10.4852 11.7572 11.7572 12.0136 12.0136 12.2835 12.2835 12.7496 12.7496 14.9226 14.9226 16.9632 16.9632 18.3344 18.3344 k =-0.4245 0.3177 0.5319 ( 1732 PWs) bands (ev): -29.3221 -29.3221 -10.5338 -10.5338 -9.2128 -9.2128 -9.0425 -9.0425 -1.7585 -1.7585 4.8901 4.8901 6.1567 6.1567 7.5085 7.5085 8.1881 8.1881 10.1332 10.1332 10.4882 10.4882 11.7602 11.7602 12.0290 12.0290 12.2792 12.2792 12.7341 12.7341 14.9778 14.9778 17.0450 17.0450 18.2823 18.2823 k =-0.4340 0.3248 0.5319 ( 1728 PWs) bands (ev): -29.3218 -29.3218 -10.5344 -10.5344 -9.2129 -9.2129 -9.0448 -9.0448 -1.7572 -1.7572 4.8871 4.8871 6.1391 6.1391 7.5207 7.5207 8.1888 8.1888 10.1281 10.1281 10.4910 10.4910 11.7631 11.7631 12.0419 12.0419 12.2755 12.2755 12.7217 12.7217 15.0287 15.0287 17.1228 17.1228 18.2339 18.2339 k =-0.4434 0.3319 0.5319 ( 1728 PWs) bands (ev): -29.3215 -29.3215 -10.5350 -10.5350 -9.2129 -9.2129 -9.0468 -9.0468 -1.7561 -1.7561 4.8845 4.8845 6.1237 6.1237 7.5313 7.5313 8.1894 8.1894 10.1237 10.1237 10.4933 10.4933 11.7659 11.7659 12.0524 12.0524 12.2723 12.2723 12.7121 12.7121 15.0747 15.0747 17.1956 17.1956 18.1900 18.1900 k =-0.4528 0.3389 0.5319 ( 1728 PWs) bands (ev): -29.3212 -29.3212 -10.5355 -10.5355 -9.2129 -9.2129 -9.0486 -9.0486 -1.7551 -1.7551 4.8822 4.8822 6.1105 6.1105 7.5403 7.5403 8.1898 8.1898 10.1200 10.1200 10.4953 10.4953 11.7685 11.7685 12.0606 12.0606 12.2696 12.2696 12.7049 12.7049 15.1150 15.1150 17.2619 17.2619 18.1514 18.1514 k =-0.4623 0.3460 0.5319 ( 1728 PWs) bands (ev): -29.3210 -29.3210 -10.5359 -10.5359 -9.2130 -9.2130 -9.0500 -9.0500 -1.7543 -1.7543 4.8804 4.8804 6.0996 6.0996 7.5477 7.5477 8.1902 8.1902 10.1169 10.1169 10.4969 10.4969 11.7707 11.7707 12.0669 12.0669 12.2674 12.2674 12.6996 12.6996 15.1490 15.1490 17.3202 17.3202 18.1188 18.1188 k =-0.4717 0.3530 0.5319 ( 1728 PWs) bands (ev): -29.3209 -29.3209 -10.5362 -10.5362 -9.2130 -9.2130 -9.0511 -9.0511 -1.7537 -1.7537 4.8790 4.8790 6.0910 6.0910 7.5534 7.5534 8.1905 8.1905 10.1146 10.1146 10.4982 10.4982 11.7725 11.7725 12.0715 12.0715 12.2656 12.2656 12.6960 12.6960 15.1762 15.1762 17.3686 17.3686 18.0927 18.0927 k =-0.4811 0.3601 0.5319 ( 1724 PWs) bands (ev): -29.3208 -29.3208 -10.5365 -10.5365 -9.2130 -9.2130 -9.0518 -9.0518 -1.7532 -1.7532 4.8780 4.8780 6.0849 6.0849 7.5575 7.5575 8.1907 8.1907 10.1129 10.1129 10.4991 10.4991 11.7740 11.7740 12.0746 12.0746 12.2644 12.2644 12.6937 12.6937 15.1960 15.1960 17.4052 17.4052 18.0736 18.0736 k =-0.4906 0.3672 0.5319 ( 1720 PWs) bands (ev): -29.3207 -29.3207 -10.5366 -10.5366 -9.2130 -9.2130 -9.0523 -9.0523 -1.7529 -1.7529 4.8774 4.8774 6.0812 6.0812 7.5600 7.5600 8.1908 8.1908 10.1120 10.1120 10.4997 10.4997 11.7748 11.7748 12.0764 12.0764 12.2637 12.2637 12.6924 12.6924 15.2080 15.2080 17.4281 17.4281 18.0621 18.0621 k =-0.5000 0.3742 0.5319 ( 1720 PWs) bands (ev): -29.3207 -29.3207 -10.5367 -10.5367 -9.2130 -9.2130 -9.0524 -9.0524 -1.7528 -1.7528 4.8772 4.8772 6.0799 6.0799 7.5609 7.5609 8.1909 8.1909 10.1116 10.1116 10.4999 10.4999 11.7751 11.7751 12.0770 12.0770 12.2634 12.2634 12.6920 12.6920 15.2121 15.2121 17.4359 17.4359 18.0582 18.0582 Writing output data file YCoC2.save init_run : 3.39s CPU 13.51s WALL ( 1 calls) electrons : 328.40s CPU 334.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 328.38s CPU 333.96s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.85s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.48s WALL ( 1 calls) newd : 0.31s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 506 calls) cegterg : 272.62s CPU 275.04s WALL ( 542 calls) Called by sum_band: Called by *egterg: h_psi : 120.88s CPU 126.97s WALL ( 10363 calls) s_psi : 15.04s CPU 15.56s WALL ( 10363 calls) g_psi : 0.22s CPU 0.30s WALL ( 9315 calls) cdiaghg : 110.82s CPU 109.61s WALL ( 9821 calls) cegterg:over : 24.74s CPU 21.67s WALL ( 9315 calls) cegterg:upda : 2.03s CPU 4.11s WALL ( 9315 calls) cegterg:last : 2.44s CPU 3.19s WALL ( 2095 calls) Called by h_psi: h_psi:vloc : 93.37s CPU 98.60s WALL ( 10363 calls) h_psi:vnl : 27.43s CPU 28.09s WALL ( 10363 calls) add_vuspsi : 7.48s CPU 11.10s WALL ( 10363 calls) General routines calbec : 19.92s CPU 16.89s WALL ( 10363 calls) fft : 0.32s CPU 1.51s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 88.71s CPU 92.97s WALL ( 1028728 calls) interpolate : 0.03s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 1.42s WALL ( 1012 calls) Parallel routines fft_scatter : 71.41s CPU 73.46s WALL ( 1028751 calls) PWSCF : 6m17.91s CPU 7m53.71s WALL This run was terminated on: 23:27:53 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=