Program PWSCF v.5.1.1 starts on 13Dec2015 at 14:14:49 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: ./AlPO4.save/ 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 80 46 13 2573 1126 174 Max 81 47 14 2577 1150 177 Sum 3867 2245 651 123595 54517 8389 bravais-lattice index = 14 lattice parameter (alat) = 15.6832 a.u. unit-cell volume = 1254.3120 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.683214 celldm(2)= 0.610938 celldm(3)= 0.612143 celldm(4)= 0.494003 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.610938 0.000000 ) a(3) = ( 0.000000 0.302400 0.532234 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.636826 -0.929998 ) b(3) = ( 0.000000 0.000000 1.878871 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 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 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 266 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0260954), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0521909), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0782863), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.1043817), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.1304772), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.1565726), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.1826680), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.2087635), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.2348589), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.2609544), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.2870498), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.3131452), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.3392407), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.3653361), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.3914315), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.4175270), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.4436224), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.4697178), wk = 0.0037594 k( 20) = ( 0.0000000 0.0000000 0.4958133), wk = 0.0037594 k( 21) = ( 0.0000000 0.0000000 0.5219087), wk = 0.0037594 k( 22) = ( 0.0000000 0.0000000 0.5480041), wk = 0.0037594 k( 23) = ( 0.0000000 0.0000000 0.5740996), wk = 0.0037594 k( 24) = ( 0.0000000 0.0000000 0.6001950), wk = 0.0037594 k( 25) = ( 0.0000000 0.0000000 0.6262904), wk = 0.0037594 k( 26) = ( 0.0000000 0.0000000 0.6523859), wk = 0.0037594 k( 27) = ( 0.0000000 0.0000000 0.6784813), wk = 0.0037594 k( 28) = ( 0.0000000 0.0000000 0.7045768), wk = 0.0037594 k( 29) = ( 0.0000000 0.0000000 0.7306722), wk = 0.0037594 k( 30) = ( 0.0000000 0.0000000 0.7567676), wk = 0.0037594 k( 31) = ( 0.0000000 0.0000000 0.7828631), wk = 0.0037594 k( 32) = ( 0.0000000 0.0000000 0.8089585), wk = 0.0037594 k( 33) = ( 0.0000000 0.0000000 0.8350539), wk = 0.0037594 k( 34) = ( 0.0000000 0.0000000 0.8611494), wk = 0.0037594 k( 35) = ( 0.0000000 0.0000000 0.8872448), wk = 0.0037594 k( 36) = ( 0.0000000 0.0000000 0.9133402), wk = 0.0037594 k( 37) = ( 0.0000000 0.0000000 0.9394357), wk = 0.0037594 k( 38) = ( 0.0000000 0.0000000 0.9394357), wk = 0.0037594 k( 39) = ( 0.0000000 0.0261358 0.9394357), wk = 0.0037594 k( 40) = ( 0.0000000 0.0522716 0.9394357), wk = 0.0037594 k( 41) = ( 0.0000000 0.0784074 0.9394357), wk = 0.0037594 k( 42) = ( 0.0000000 0.1045432 0.9394357), wk = 0.0037594 k( 43) = ( 0.0000000 0.1306790 0.9394357), wk = 0.0037594 k( 44) = ( 0.0000000 0.1568148 0.9394357), wk = 0.0037594 k( 45) = ( 0.0000000 0.1829506 0.9394357), wk = 0.0037594 k( 46) = ( 0.0000000 0.2090864 0.9394357), wk = 0.0037594 k( 47) = ( 0.0000000 0.2352222 0.9394357), wk = 0.0037594 k( 48) = ( 0.0000000 0.2613580 0.9394357), wk = 0.0037594 k( 49) = ( 0.0000000 0.2874938 0.9394357), wk = 0.0037594 k( 50) = ( 0.0000000 0.3136296 0.9394357), wk = 0.0037594 k( 51) = ( 0.0000000 0.3397653 0.9394357), wk = 0.0037594 k( 52) = ( 0.0000000 0.3659011 0.9394357), wk = 0.0037594 k( 53) = ( 0.0000000 0.3920369 0.9394357), wk = 0.0037594 k( 54) = ( 0.0000000 0.4181727 0.9394357), wk = 0.0037594 k( 55) = ( 0.0000000 0.4443085 0.9394357), wk = 0.0037594 k( 56) = ( 0.0000000 0.4704443 0.9394357), wk = 0.0037594 k( 57) = ( 0.0000000 0.4965801 0.9394357), wk = 0.0037594 k( 58) = ( 0.0000000 0.5227159 0.9394357), wk = 0.0037594 k( 59) = ( 0.0000000 0.5488517 0.9394357), wk = 0.0037594 k( 60) = ( 0.0000000 0.5488517 0.9394357), wk = 0.0037594 k( 61) = ( 0.0000000 0.5616880 0.9172929), wk = 0.0037594 k( 62) = ( 0.0000000 0.5745242 0.8951501), wk = 0.0037594 k( 63) = ( 0.0000000 0.5873605 0.8730072), wk = 0.0037594 k( 64) = ( 0.0000000 0.6001967 0.8508644), wk = 0.0037594 k( 65) = ( 0.0000000 0.6130330 0.8287217), wk = 0.0037594 k( 66) = ( 0.0000000 0.6258693 0.8065788), wk = 0.0037594 k( 67) = ( 0.0000000 0.6387055 0.7844360), wk = 0.0037594 k( 68) = ( 0.0000000 0.6515418 0.7622932), wk = 0.0037594 k( 69) = ( 0.0000000 0.6643780 0.7401504), wk = 0.0037594 k( 70) = ( 0.0000000 0.6772143 0.7180076), wk = 0.0037594 k( 71) = ( 0.0000000 0.6900505 0.6958648), wk = 0.0037594 k( 72) = ( 0.0000000 0.7028868 0.6737220), wk = 0.0037594 k( 73) = ( 0.0000000 0.7157231 0.6515792), wk = 0.0037594 k( 74) = ( 0.0000000 0.7285593 0.6294364), wk = 0.0037594 k( 75) = ( 0.0000000 0.7413956 0.6072936), wk = 0.0037594 k( 76) = ( 0.0000000 0.7542318 0.5851508), wk = 0.0037594 k( 77) = ( 0.0000000 0.7670681 0.5630080), wk = 0.0037594 k( 78) = ( 0.0000000 0.7799043 0.5408652), wk = 0.0037594 k( 79) = ( 0.0000000 0.7927406 0.5187223), wk = 0.0037594 k( 80) = ( 0.0000000 0.8055769 0.4965795), wk = 0.0037594 k( 81) = ( 0.0000000 0.8184131 0.4744367), wk = 0.0037594 k( 82) = ( 0.0000000 0.8184131 0.4744367), wk = 0.0037594 k( 83) = ( 0.0263158 0.8184131 0.4744367), wk = 0.0037594 k( 84) = ( 0.0526316 0.8184131 0.4744367), wk = 0.0037594 k( 85) = ( 0.0789474 0.8184131 0.4744367), wk = 0.0037594 k( 86) = ( 0.1052632 0.8184131 0.4744367), wk = 0.0037594 k( 87) = ( 0.1315790 0.8184131 0.4744367), wk = 0.0037594 k( 88) = ( 0.1578947 0.8184131 0.4744367), wk = 0.0037594 k( 89) = ( 0.1842105 0.8184131 0.4744367), wk = 0.0037594 k( 90) = ( 0.2105263 0.8184131 0.4744367), wk = 0.0037594 k( 91) = ( 0.2368421 0.8184131 0.4744367), wk = 0.0037594 k( 92) = ( 0.2631579 0.8184131 0.4744367), wk = 0.0037594 k( 93) = ( 0.2894737 0.8184131 0.4744367), wk = 0.0037594 k( 94) = ( 0.3157895 0.8184131 0.4744367), wk = 0.0037594 k( 95) = ( 0.3421053 0.8184131 0.4744367), wk = 0.0037594 k( 96) = ( 0.3684211 0.8184131 0.4744367), wk = 0.0037594 k( 97) = ( 0.3947368 0.8184131 0.4744367), wk = 0.0037594 k( 98) = ( 0.4210526 0.8184131 0.4744367), wk = 0.0037594 k( 99) = ( 0.4473684 0.8184131 0.4744367), wk = 0.0037594 k( 100) = ( 0.4736842 0.8184131 0.4744367), wk = 0.0037594 k( 101) = ( 0.5000000 0.8184131 0.4744367), wk = 0.0037594 k( 102) = ( 0.5000000 0.8184131 0.4744367), wk = 0.0037594 k( 103) = ( 0.5000000 0.8312494 0.4522939), wk = 0.0037594 k( 104) = ( 0.5000000 0.8440856 0.4301511), wk = 0.0037594 k( 105) = ( 0.5000000 0.8569219 0.4080083), wk = 0.0037594 k( 106) = ( 0.5000000 0.8697581 0.3858655), wk = 0.0037594 k( 107) = ( 0.5000000 0.8825944 0.3637227), wk = 0.0037594 k( 108) = ( 0.5000000 0.8954306 0.3415799), wk = 0.0037594 k( 109) = ( 0.5000000 0.9082669 0.3194371), wk = 0.0037594 k( 110) = ( 0.5000000 0.9211032 0.2972943), wk = 0.0037594 k( 111) = ( 0.5000000 0.9339394 0.2751515), wk = 0.0037594 k( 112) = ( 0.5000000 0.9467757 0.2530087), wk = 0.0037594 k( 113) = ( 0.5000000 0.9596119 0.2308659), wk = 0.0037594 k( 114) = ( 0.5000000 0.9724482 0.2087231), wk = 0.0037594 k( 115) = ( 0.5000000 0.9852845 0.1865803), wk = 0.0037594 k( 116) = ( 0.5000000 0.9981207 0.1644374), wk = 0.0037594 k( 117) = ( 0.5000000 1.0109570 0.1422947), wk = 0.0037594 k( 118) = ( 0.5000000 1.0237932 0.1201518), wk = 0.0037594 k( 119) = ( 0.5000000 1.0366295 0.0980090), wk = 0.0037594 k( 120) = ( 0.5000000 1.0494657 0.0758662), wk = 0.0037594 k( 121) = ( 0.5000000 1.0623020 0.0537234), wk = 0.0037594 k( 122) = ( 0.5000000 1.0751382 0.0315806), wk = 0.0037594 k( 123) = ( 0.5000000 1.0879745 0.0094378), wk = 0.0037594 k( 124) = ( 0.5000000 1.0879745 0.0094378), wk = 0.0037594 k( 125) = ( 0.5000000 1.0751382 -0.0131544), wk = 0.0037594 k( 126) = ( 0.5000000 1.0623020 -0.0357466), wk = 0.0037594 k( 127) = ( 0.5000000 1.0494657 -0.0583389), wk = 0.0037594 k( 128) = ( 0.5000000 1.0366295 -0.0809311), wk = 0.0037594 k( 129) = ( 0.5000000 1.0237932 -0.1035233), wk = 0.0037594 k( 130) = ( 0.5000000 1.0109570 -0.1261155), wk = 0.0037594 k( 131) = ( 0.5000000 0.9981207 -0.1487078), wk = 0.0037594 k( 132) = ( 0.5000000 0.9852845 -0.1713000), wk = 0.0037594 k( 133) = ( 0.5000000 0.9724482 -0.1938922), wk = 0.0037594 k( 134) = ( 0.5000000 0.9596119 -0.2164844), wk = 0.0037594 k( 135) = ( 0.5000000 0.9467757 -0.2390767), wk = 0.0037594 k( 136) = ( 0.5000000 0.9339394 -0.2616689), wk = 0.0037594 k( 137) = ( 0.5000000 0.9211032 -0.2842611), wk = 0.0037594 k( 138) = ( 0.5000000 0.9082669 -0.3068534), wk = 0.0037594 k( 139) = ( 0.5000000 0.8954306 -0.3294456), wk = 0.0037594 k( 140) = ( 0.5000000 0.8825944 -0.3520378), wk = 0.0037594 k( 141) = ( 0.5000000 0.8697581 -0.3746300), wk = 0.0037594 k( 142) = ( 0.5000000 0.8569219 -0.3972223), wk = 0.0037594 k( 143) = ( 0.5000000 0.8440856 -0.4198145), wk = 0.0037594 k( 144) = ( 0.5000000 0.8312494 -0.4424067), wk = 0.0037594 k( 145) = ( 0.5000000 0.8184131 -0.4649989), wk = 0.0037594 k( 146) = ( 0.5000000 0.8184131 -0.4649989), wk = 0.0037594 k( 147) = ( 0.4736842 0.8184131 -0.4649989), wk = 0.0037594 k( 148) = ( 0.4473684 0.8184131 -0.4649989), wk = 0.0037594 k( 149) = ( 0.4210526 0.8184131 -0.4649989), wk = 0.0037594 k( 150) = ( 0.3947368 0.8184131 -0.4649989), wk = 0.0037594 k( 151) = ( 0.3684211 0.8184131 -0.4649989), wk = 0.0037594 k( 152) = ( 0.3421053 0.8184131 -0.4649989), wk = 0.0037594 k( 153) = ( 0.3157895 0.8184131 -0.4649989), wk = 0.0037594 k( 154) = ( 0.2894737 0.8184131 -0.4649989), wk = 0.0037594 k( 155) = ( 0.2631579 0.8184131 -0.4649989), wk = 0.0037594 k( 156) = ( 0.2368421 0.8184131 -0.4649989), wk = 0.0037594 k( 157) = ( 0.2105263 0.8184131 -0.4649989), wk = 0.0037594 k( 158) = ( 0.1842105 0.8184131 -0.4649989), wk = 0.0037594 k( 159) = ( 0.1578947 0.8184131 -0.4649989), wk = 0.0037594 k( 160) = ( 0.1315790 0.8184131 -0.4649989), wk = 0.0037594 k( 161) = ( 0.1052632 0.8184131 -0.4649989), wk = 0.0037594 k( 162) = ( 0.0789474 0.8184131 -0.4649989), wk = 0.0037594 k( 163) = ( 0.0526316 0.8184131 -0.4649989), wk = 0.0037594 k( 164) = ( 0.0263158 0.8184131 -0.4649989), wk = 0.0037594 k( 165) = ( 0.0000000 0.8184131 -0.4649989), wk = 0.0037594 k( 166) = ( 0.0000000 0.8184131 -0.4649989), wk = 0.0037594 k( 167) = ( 0.0000000 0.8312494 -0.4424067), wk = 0.0037594 k( 168) = ( 0.0000000 0.8440856 -0.4198145), wk = 0.0037594 k( 169) = ( 0.0000000 0.8569219 -0.3972223), wk = 0.0037594 k( 170) = ( 0.0000000 0.8697581 -0.3746300), wk = 0.0037594 k( 171) = ( 0.0000000 0.8825944 -0.3520378), wk = 0.0037594 k( 172) = ( 0.0000000 0.8954306 -0.3294456), wk = 0.0037594 k( 173) = ( 0.0000000 0.9082669 -0.3068534), wk = 0.0037594 k( 174) = ( 0.0000000 0.9211032 -0.2842611), wk = 0.0037594 k( 175) = ( 0.0000000 0.9339394 -0.2616689), wk = 0.0037594 k( 176) = ( 0.0000000 0.9467757 -0.2390767), wk = 0.0037594 k( 177) = ( 0.0000000 0.9596119 -0.2164844), wk = 0.0037594 k( 178) = ( 0.0000000 0.9724482 -0.1938922), wk = 0.0037594 k( 179) = ( 0.0000000 0.9852845 -0.1713000), wk = 0.0037594 k( 180) = ( 0.0000000 0.9981207 -0.1487078), wk = 0.0037594 k( 181) = ( 0.0000000 1.0109570 -0.1261155), wk = 0.0037594 k( 182) = ( 0.0000000 1.0237932 -0.1035233), wk = 0.0037594 k( 183) = ( 0.0000000 1.0366295 -0.0809311), wk = 0.0037594 k( 184) = ( 0.0000000 1.0494657 -0.0583389), wk = 0.0037594 k( 185) = ( 0.0000000 1.0623020 -0.0357466), wk = 0.0037594 k( 186) = ( 0.0000000 1.0751382 -0.0131544), wk = 0.0037594 k( 187) = ( 0.0000000 1.0879745 0.0094378), wk = 0.0037594 k( 188) = ( 0.5000000 0.5488517 0.9394357), wk = 0.0037594 k( 189) = ( 0.5000000 0.5227159 0.9394357), wk = 0.0037594 k( 190) = ( 0.5000000 0.4965801 0.9394357), wk = 0.0037594 k( 191) = ( 0.5000000 0.4704443 0.9394357), wk = 0.0037594 k( 192) = ( 0.5000000 0.4443085 0.9394357), wk = 0.0037594 k( 193) = ( 0.5000000 0.4181727 0.9394357), wk = 0.0037594 k( 194) = ( 0.5000000 0.3920369 0.9394357), wk = 0.0037594 k( 195) = ( 0.5000000 0.3659011 0.9394357), wk = 0.0037594 k( 196) = ( 0.5000000 0.3397653 0.9394357), wk = 0.0037594 k( 197) = ( 0.5000000 0.3136296 0.9394357), wk = 0.0037594 k( 198) = ( 0.5000000 0.2874938 0.9394357), wk = 0.0037594 k( 199) = ( 0.5000000 0.2613580 0.9394357), wk = 0.0037594 k( 200) = ( 0.5000000 0.2352222 0.9394357), wk = 0.0037594 k( 201) = ( 0.5000000 0.2090864 0.9394357), wk = 0.0037594 k( 202) = ( 0.5000000 0.1829506 0.9394357), wk = 0.0037594 k( 203) = ( 0.5000000 0.1568148 0.9394357), wk = 0.0037594 k( 204) = ( 0.5000000 0.1306790 0.9394357), wk = 0.0037594 k( 205) = ( 0.5000000 0.1045432 0.9394357), wk = 0.0037594 k( 206) = ( 0.5000000 0.0784074 0.9394357), wk = 0.0037594 k( 207) = ( 0.5000000 0.0522716 0.9394357), wk = 0.0037594 k( 208) = ( 0.5000000 0.0261358 0.9394357), wk = 0.0037594 k( 209) = ( 0.5000000 -0.0000000 0.9394357), wk = 0.0037594 k( 210) = ( 0.5000000 -0.0000000 0.9394357), wk = 0.0037594 k( 211) = ( 0.5000000 -0.0000000 0.9133402), wk = 0.0037594 k( 212) = ( 0.5000000 -0.0000000 0.8872448), wk = 0.0037594 k( 213) = ( 0.5000000 -0.0000000 0.8611494), wk = 0.0037594 k( 214) = ( 0.5000000 -0.0000000 0.8350539), wk = 0.0037594 k( 215) = ( 0.5000000 -0.0000000 0.8089585), wk = 0.0037594 k( 216) = ( 0.5000000 -0.0000000 0.7828631), wk = 0.0037594 k( 217) = ( 0.5000000 -0.0000000 0.7567676), wk = 0.0037594 k( 218) = ( 0.5000000 -0.0000000 0.7306722), wk = 0.0037594 k( 219) = ( 0.5000000 -0.0000000 0.7045768), wk = 0.0037594 k( 220) = ( 0.5000000 -0.0000000 0.6784813), wk = 0.0037594 k( 221) = ( 0.5000000 -0.0000000 0.6523859), wk = 0.0037594 k( 222) = ( 0.5000000 -0.0000000 0.6262904), wk = 0.0037594 k( 223) = ( 0.5000000 -0.0000000 0.6001950), wk = 0.0037594 k( 224) = ( 0.5000000 -0.0000000 0.5740996), wk = 0.0037594 k( 225) = ( 0.5000000 -0.0000000 0.5480041), wk = 0.0037594 k( 226) = ( 0.5000000 -0.0000000 0.5219087), wk = 0.0037594 k( 227) = ( 0.5000000 -0.0000000 0.4958133), wk = 0.0037594 k( 228) = ( 0.5000000 -0.0000000 0.4697178), wk = 0.0037594 k( 229) = ( 0.5000000 -0.0000000 0.4436224), wk = 0.0037594 k( 230) = ( 0.5000000 -0.0000000 0.4175270), wk = 0.0037594 k( 231) = ( 0.5000000 -0.0000000 0.3914315), wk = 0.0037594 k( 232) = ( 0.5000000 -0.0000000 0.3653361), wk = 0.0037594 k( 233) = ( 0.5000000 -0.0000000 0.3392407), wk = 0.0037594 k( 234) = ( 0.5000000 -0.0000000 0.3131452), wk = 0.0037594 k( 235) = ( 0.5000000 -0.0000000 0.2870498), wk = 0.0037594 k( 236) = ( 0.5000000 -0.0000000 0.2609544), wk = 0.0037594 k( 237) = ( 0.5000000 -0.0000000 0.2348589), wk = 0.0037594 k( 238) = ( 0.5000000 -0.0000000 0.2087635), wk = 0.0037594 k( 239) = ( 0.5000000 -0.0000000 0.1826680), wk = 0.0037594 k( 240) = ( 0.5000000 -0.0000000 0.1565726), wk = 0.0037594 k( 241) = ( 0.5000000 -0.0000000 0.1304772), wk = 0.0037594 k( 242) = ( 0.5000000 -0.0000000 0.1043817), wk = 0.0037594 k( 243) = ( 0.5000000 -0.0000000 0.0782863), wk = 0.0037594 k( 244) = ( 0.5000000 -0.0000000 0.0521909), wk = 0.0037594 k( 245) = ( 0.5000000 -0.0000000 0.0260954), wk = 0.0037594 k( 246) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037594 k( 247) = ( 0.0000000 0.0000000 0.9394357), wk = 0.0037594 k( 248) = ( 0.0263158 -0.0000000 0.9394357), wk = 0.0037594 k( 249) = ( 0.0526316 -0.0000000 0.9394357), wk = 0.0037594 k( 250) = ( 0.0789474 -0.0000000 0.9394357), wk = 0.0037594 k( 251) = ( 0.1052632 -0.0000000 0.9394357), wk = 0.0037594 k( 252) = ( 0.1315790 -0.0000000 0.9394357), wk = 0.0037594 k( 253) = ( 0.1578947 -0.0000000 0.9394357), wk = 0.0037594 k( 254) = ( 0.1842105 -0.0000000 0.9394357), wk = 0.0037594 k( 255) = ( 0.2105263 -0.0000000 0.9394357), wk = 0.0037594 k( 256) = ( 0.2368421 -0.0000000 0.9394357), wk = 0.0037594 k( 257) = ( 0.2631579 -0.0000000 0.9394357), wk = 0.0037594 k( 258) = ( 0.2894737 -0.0000000 0.9394357), wk = 0.0037594 k( 259) = ( 0.3157895 -0.0000000 0.9394357), wk = 0.0037594 k( 260) = ( 0.3421053 -0.0000000 0.9394357), wk = 0.0037594 k( 261) = ( 0.3684211 -0.0000000 0.9394357), wk = 0.0037594 k( 262) = ( 0.3947368 -0.0000000 0.9394357), wk = 0.0037594 k( 263) = ( 0.4210526 -0.0000000 0.9394357), wk = 0.0037594 k( 264) = ( 0.4473684 -0.0000000 0.9394357), wk = 0.0037594 k( 265) = ( 0.4736842 -0.0000000 0.9394357), wk = 0.0037594 k( 266) = ( 0.5000000 -0.0000000 0.9394357), wk = 0.0037594 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037594 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0037594 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0037594 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0037594 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0037594 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0037594 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037594 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0037594 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0037594 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037594 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0037594 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0037594 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037594 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0037594 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0037594 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0037594 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0037594 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0037594 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 39) = ( 0.0000000 0.0159674 0.5079035), wk = 0.0037594 k( 40) = ( 0.0000000 0.0319347 0.5158070), wk = 0.0037594 k( 41) = ( 0.0000000 0.0479021 0.5237104), wk = 0.0037594 k( 42) = ( 0.0000000 0.0638694 0.5316139), wk = 0.0037594 k( 43) = ( 0.0000000 0.0798368 0.5395174), wk = 0.0037594 k( 44) = ( 0.0000000 0.0958042 0.5474209), wk = 0.0037594 k( 45) = ( 0.0000000 0.1117715 0.5553243), wk = 0.0037594 k( 46) = ( 0.0000000 0.1277389 0.5632278), wk = 0.0037594 k( 47) = ( 0.0000000 0.1437063 0.5711313), wk = 0.0037594 k( 48) = ( 0.0000000 0.1596736 0.5790348), wk = 0.0037594 k( 49) = ( 0.0000000 0.1756410 0.5869382), wk = 0.0037594 k( 50) = ( 0.0000000 0.1916083 0.5948417), wk = 0.0037594 k( 51) = ( 0.0000000 0.2075757 0.6027452), wk = 0.0037594 k( 52) = ( 0.0000000 0.2235431 0.6106487), wk = 0.0037594 k( 53) = ( 0.0000000 0.2395104 0.6185521), wk = 0.0037594 k( 54) = ( 0.0000000 0.2554778 0.6264556), wk = 0.0037594 k( 55) = ( 0.0000000 0.2714452 0.6343591), wk = 0.0037594 k( 56) = ( 0.0000000 0.2874125 0.6422625), wk = 0.0037594 k( 57) = ( 0.0000000 0.3033799 0.6501660), wk = 0.0037594 k( 58) = ( 0.0000000 0.3193472 0.6580695), wk = 0.0037594 k( 59) = ( 0.0000000 0.3353146 0.6659730), wk = 0.0037594 k( 60) = ( 0.0000000 0.3353146 0.6659730), wk = 0.0037594 k( 61) = ( 0.0000000 0.3431568 0.6580695), wk = 0.0037594 k( 62) = ( 0.0000000 0.3509989 0.6501660), wk = 0.0037594 k( 63) = ( 0.0000000 0.3588411 0.6422625), wk = 0.0037594 k( 64) = ( 0.0000000 0.3666832 0.6343591), wk = 0.0037594 k( 65) = ( 0.0000000 0.3745254 0.6264556), wk = 0.0037594 k( 66) = ( 0.0000000 0.3823676 0.6185521), wk = 0.0037594 k( 67) = ( 0.0000000 0.3902097 0.6106487), wk = 0.0037594 k( 68) = ( 0.0000000 0.3980519 0.6027452), wk = 0.0037594 k( 69) = ( 0.0000000 0.4058941 0.5948417), wk = 0.0037594 k( 70) = ( 0.0000000 0.4137362 0.5869382), wk = 0.0037594 k( 71) = ( 0.0000000 0.4215784 0.5790348), wk = 0.0037594 k( 72) = ( 0.0000000 0.4294205 0.5711313), wk = 0.0037594 k( 73) = ( 0.0000000 0.4372627 0.5632278), wk = 0.0037594 k( 74) = ( 0.0000000 0.4451049 0.5553243), wk = 0.0037594 k( 75) = ( 0.0000000 0.4529470 0.5474209), wk = 0.0037594 k( 76) = ( 0.0000000 0.4607892 0.5395174), wk = 0.0037594 k( 77) = ( 0.0000000 0.4686314 0.5316139), wk = 0.0037594 k( 78) = ( 0.0000000 0.4764735 0.5237104), wk = 0.0037594 k( 79) = ( 0.0000000 0.4843157 0.5158069), wk = 0.0037594 k( 80) = ( 0.0000000 0.4921578 0.5079035), wk = 0.0037594 k( 81) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 82) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 83) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0037594 k( 84) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0037594 k( 85) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0037594 k( 86) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0037594 k( 87) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0037594 k( 88) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0037594 k( 89) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0037594 k( 90) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0037594 k( 91) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0037594 k( 92) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0037594 k( 93) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0037594 k( 94) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0037594 k( 95) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0037594 k( 96) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0037594 k( 97) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0037594 k( 98) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0037594 k( 99) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0037594 k( 100) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0037594 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 103) = ( 0.5000000 0.5078422 0.4920965), wk = 0.0037594 k( 104) = ( 0.5000000 0.5156843 0.4841931), wk = 0.0037594 k( 105) = ( 0.5000000 0.5235265 0.4762896), wk = 0.0037594 k( 106) = ( 0.5000000 0.5313686 0.4683861), wk = 0.0037594 k( 107) = ( 0.5000000 0.5392108 0.4604826), wk = 0.0037594 k( 108) = ( 0.5000000 0.5470530 0.4525792), wk = 0.0037594 k( 109) = ( 0.5000000 0.5548951 0.4446757), wk = 0.0037594 k( 110) = ( 0.5000000 0.5627373 0.4367722), wk = 0.0037594 k( 111) = ( 0.5000000 0.5705795 0.4288687), wk = 0.0037594 k( 112) = ( 0.5000000 0.5784216 0.4209653), wk = 0.0037594 k( 113) = ( 0.5000000 0.5862638 0.4130618), wk = 0.0037594 k( 114) = ( 0.5000000 0.5941059 0.4051583), wk = 0.0037594 k( 115) = ( 0.5000000 0.6019481 0.3972548), wk = 0.0037594 k( 116) = ( 0.5000000 0.6097903 0.3893514), wk = 0.0037594 k( 117) = ( 0.5000000 0.6176324 0.3814479), wk = 0.0037594 k( 118) = ( 0.5000000 0.6254746 0.3735444), wk = 0.0037594 k( 119) = ( 0.5000000 0.6333168 0.3656409), wk = 0.0037594 k( 120) = ( 0.5000000 0.6411589 0.3577375), wk = 0.0037594 k( 121) = ( 0.5000000 0.6490011 0.3498340), wk = 0.0037594 k( 122) = ( 0.5000000 0.6568432 0.3419305), wk = 0.0037594 k( 123) = ( 0.5000000 0.6646854 0.3340270), wk = 0.0037594 k( 124) = ( 0.5000000 0.6646854 0.3340270), wk = 0.0037594 k( 125) = ( 0.5000000 0.6568432 0.3181210), wk = 0.0037594 k( 126) = ( 0.5000000 0.6490011 0.3022149), wk = 0.0037594 k( 127) = ( 0.5000000 0.6411589 0.2863089), wk = 0.0037594 k( 128) = ( 0.5000000 0.6333168 0.2704028), wk = 0.0037594 k( 129) = ( 0.5000000 0.6254746 0.2544968), wk = 0.0037594 k( 130) = ( 0.5000000 0.6176324 0.2385907), wk = 0.0037594 k( 131) = ( 0.5000000 0.6097903 0.2226847), wk = 0.0037594 k( 132) = ( 0.5000000 0.6019481 0.2067786), wk = 0.0037594 k( 133) = ( 0.5000000 0.5941059 0.1908726), wk = 0.0037594 k( 134) = ( 0.5000000 0.5862638 0.1749665), wk = 0.0037594 k( 135) = ( 0.5000000 0.5784216 0.1590605), wk = 0.0037594 k( 136) = ( 0.5000000 0.5705795 0.1431544), wk = 0.0037594 k( 137) = ( 0.5000000 0.5627373 0.1272484), wk = 0.0037594 k( 138) = ( 0.5000000 0.5548951 0.1113423), wk = 0.0037594 k( 139) = ( 0.5000000 0.5470530 0.0954363), wk = 0.0037594 k( 140) = ( 0.5000000 0.5392108 0.0795303), wk = 0.0037594 k( 141) = ( 0.5000000 0.5313686 0.0636242), wk = 0.0037594 k( 142) = ( 0.5000000 0.5235265 0.0477182), wk = 0.0037594 k( 143) = ( 0.5000000 0.5156843 0.0318121), wk = 0.0037594 k( 144) = ( 0.5000000 0.5078422 0.0159061), wk = 0.0037594 k( 145) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037594 k( 146) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037594 k( 147) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0037594 k( 148) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0037594 k( 149) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0037594 k( 150) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0037594 k( 151) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0037594 k( 152) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0037594 k( 153) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0037594 k( 154) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0037594 k( 155) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0037594 k( 156) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0037594 k( 157) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0037594 k( 158) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0037594 k( 159) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0037594 k( 160) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0037594 k( 161) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0037594 k( 162) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0037594 k( 163) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0037594 k( 164) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0037594 k( 165) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037594 k( 166) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037594 k( 167) = ( 0.0000000 0.5078422 0.0159061), wk = 0.0037594 k( 168) = ( 0.0000000 0.5156843 0.0318121), wk = 0.0037594 k( 169) = ( 0.0000000 0.5235265 0.0477182), wk = 0.0037594 k( 170) = ( 0.0000000 0.5313686 0.0636242), wk = 0.0037594 k( 171) = ( 0.0000000 0.5392108 0.0795303), wk = 0.0037594 k( 172) = ( 0.0000000 0.5470530 0.0954363), wk = 0.0037594 k( 173) = ( 0.0000000 0.5548951 0.1113423), wk = 0.0037594 k( 174) = ( 0.0000000 0.5627373 0.1272484), wk = 0.0037594 k( 175) = ( 0.0000000 0.5705795 0.1431544), wk = 0.0037594 k( 176) = ( 0.0000000 0.5784216 0.1590605), wk = 0.0037594 k( 177) = ( 0.0000000 0.5862638 0.1749665), wk = 0.0037594 k( 178) = ( 0.0000000 0.5941059 0.1908726), wk = 0.0037594 k( 179) = ( 0.0000000 0.6019481 0.2067786), wk = 0.0037594 k( 180) = ( 0.0000000 0.6097903 0.2226847), wk = 0.0037594 k( 181) = ( 0.0000000 0.6176324 0.2385907), wk = 0.0037594 k( 182) = ( 0.0000000 0.6254746 0.2544968), wk = 0.0037594 k( 183) = ( 0.0000000 0.6333168 0.2704028), wk = 0.0037594 k( 184) = ( 0.0000000 0.6411589 0.2863089), wk = 0.0037594 k( 185) = ( 0.0000000 0.6490011 0.3022149), wk = 0.0037594 k( 186) = ( 0.0000000 0.6568432 0.3181210), wk = 0.0037594 k( 187) = ( 0.0000000 0.6646854 0.3340270), wk = 0.0037594 k( 188) = ( 0.5000000 0.3353146 0.6659730), wk = 0.0037594 k( 189) = ( 0.5000000 0.3193472 0.6580695), wk = 0.0037594 k( 190) = ( 0.5000000 0.3033799 0.6501660), wk = 0.0037594 k( 191) = ( 0.5000000 0.2874125 0.6422625), wk = 0.0037594 k( 192) = ( 0.5000000 0.2714452 0.6343591), wk = 0.0037594 k( 193) = ( 0.5000000 0.2554778 0.6264556), wk = 0.0037594 k( 194) = ( 0.5000000 0.2395104 0.6185521), wk = 0.0037594 k( 195) = ( 0.5000000 0.2235431 0.6106487), wk = 0.0037594 k( 196) = ( 0.5000000 0.2075757 0.6027452), wk = 0.0037594 k( 197) = ( 0.5000000 0.1916083 0.5948417), wk = 0.0037594 k( 198) = ( 0.5000000 0.1756410 0.5869382), wk = 0.0037594 k( 199) = ( 0.5000000 0.1596736 0.5790348), wk = 0.0037594 k( 200) = ( 0.5000000 0.1437063 0.5711313), wk = 0.0037594 k( 201) = ( 0.5000000 0.1277389 0.5632278), wk = 0.0037594 k( 202) = ( 0.5000000 0.1117715 0.5553243), wk = 0.0037594 k( 203) = ( 0.5000000 0.0958042 0.5474209), wk = 0.0037594 k( 204) = ( 0.5000000 0.0798368 0.5395174), wk = 0.0037594 k( 205) = ( 0.5000000 0.0638694 0.5316139), wk = 0.0037594 k( 206) = ( 0.5000000 0.0479021 0.5237104), wk = 0.0037594 k( 207) = ( 0.5000000 0.0319347 0.5158070), wk = 0.0037594 k( 208) = ( 0.5000000 0.0159674 0.5079035), wk = 0.0037594 k( 209) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 k( 210) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 k( 211) = ( 0.5000000 -0.0000000 0.4861111), wk = 0.0037594 k( 212) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0037594 k( 213) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0037594 k( 214) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0037594 k( 215) = ( 0.5000000 -0.0000000 0.4305556), wk = 0.0037594 k( 216) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0037594 k( 217) = ( 0.5000000 -0.0000000 0.4027778), wk = 0.0037594 k( 218) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0037594 k( 219) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0037594 k( 220) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0037594 k( 221) = ( 0.5000000 -0.0000000 0.3472222), wk = 0.0037594 k( 222) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0037594 k( 223) = ( 0.5000000 -0.0000000 0.3194444), wk = 0.0037594 k( 224) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0037594 k( 225) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0037594 k( 226) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0037594 k( 227) = ( 0.5000000 -0.0000000 0.2638889), wk = 0.0037594 k( 228) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0037594 k( 229) = ( 0.5000000 -0.0000000 0.2361111), wk = 0.0037594 k( 230) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0037594 k( 231) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0037594 k( 232) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0037594 k( 233) = ( 0.5000000 -0.0000000 0.1805556), wk = 0.0037594 k( 234) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0037594 k( 235) = ( 0.5000000 -0.0000000 0.1527778), wk = 0.0037594 k( 236) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0037594 k( 237) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0037594 k( 238) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0037594 k( 239) = ( 0.5000000 -0.0000000 0.0972222), wk = 0.0037594 k( 240) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0037594 k( 241) = ( 0.5000000 -0.0000000 0.0694444), wk = 0.0037594 k( 242) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0037594 k( 243) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0037594 k( 244) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0037594 k( 245) = ( 0.5000000 -0.0000000 0.0138889), wk = 0.0037594 k( 246) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037594 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 248) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0037594 k( 249) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0037594 k( 250) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0037594 k( 251) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0037594 k( 252) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0037594 k( 253) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0037594 k( 254) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0037594 k( 255) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0037594 k( 256) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0037594 k( 257) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0037594 k( 258) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0037594 k( 259) = ( 0.3157895 0.0000000 0.5000000), wk = 0.0037594 k( 260) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0037594 k( 261) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0037594 k( 262) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0037594 k( 263) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0037594 k( 264) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0037594 k( 265) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0037594 k( 266) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 Dense grid: 123595 G-vectors FFT dimensions: ( 90, 60, 60) Smooth grid: 54517 G-vectors FFT dimensions: ( 72, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 284, 76) NL pseudopotentials 0.54 Mb ( 142, 248) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 2577) G-vector shells 0.02 Mb ( 2555) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 284, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.58 Mb ( 248, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlPO4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.8 secs Computing kpt #: 2 total cpu time spent up to now is 54.2 secs Computing kpt #: 3 total cpu time spent up to now is 60.5 secs Computing kpt #: 4 total cpu time spent up to now is 66.8 secs Computing kpt #: 5 total cpu time spent up to now is 73.2 secs Computing kpt #: 6 total cpu time spent up to now is 79.7 secs Computing kpt #: 7 total cpu time spent up to now is 86.2 secs Computing kpt #: 8 total cpu time spent up to now is 92.6 secs Computing kpt #: 9 total cpu time spent up to now is 99.4 secs Computing kpt #: 10 total cpu time spent up to now is 105.9 secs Computing kpt #: 11 total cpu time spent up to now is 112.6 secs Computing kpt #: 12 total cpu time spent up to now is 119.7 secs Computing kpt #: 13 total cpu time spent up to now is 127.3 secs Computing kpt #: 14 total cpu time spent up to now is 136.1 secs Computing kpt #: 15 total cpu time spent up to now is 145.3 secs Computing kpt #: 16 total cpu time spent up to now is 154.9 secs Computing kpt #: 17 total cpu time spent up to now is 165.1 secs Computing kpt #: 18 total cpu time spent up to now is 174.9 secs Computing kpt #: 19 total cpu time spent up to now is 185.2 secs Computing kpt #: 20 total cpu time spent up to now is 195.4 secs Computing kpt #: 21 total cpu time spent up to now is 204.2 secs Computing kpt #: 22 total cpu time spent up to now is 212.9 secs Computing kpt #: 23 total cpu time spent up to now is 221.9 secs Computing kpt #: 24 total cpu time spent up to now is 230.0 secs Computing kpt #: 25 total cpu time spent up to now is 237.7 secs Computing kpt #: 26 total cpu time spent up to now is 245.4 secs Computing kpt #: 27 total cpu time spent up to now is 252.6 secs Computing kpt #: 28 total cpu time spent up to now is 259.5 secs Computing kpt #: 29 total cpu time spent up to now is 266.3 secs Computing kpt #: 30 total cpu time spent up to now is 273.2 secs Computing kpt #: 31 total cpu time spent up to now is 279.5 secs Computing kpt #: 32 total cpu time spent up to now is 286.8 secs Computing kpt #: 33 total cpu time spent up to now is 293.4 secs Computing kpt #: 34 total cpu time spent up to now is 299.9 secs Computing kpt #: 35 total cpu time spent up to now is 306.5 secs Computing kpt #: 36 total cpu time spent up to now is 312.7 secs Computing kpt #: 37 total cpu time spent up to now is 318.7 secs Computing kpt #: 38 total cpu time spent up to now is 325.1 secs Computing kpt #: 39 total cpu time spent up to now is 331.5 secs Computing kpt #: 40 total cpu time spent up to now is 337.5 secs Computing kpt #: 41 total cpu time spent up to now is 343.9 secs Computing kpt #: 42 total cpu time spent up to now is 350.0 secs Computing kpt #: 43 total cpu time spent up to now is 356.1 secs Computing kpt #: 44 total cpu time spent up to now is 362.4 secs Computing kpt #: 45 total cpu time spent up to now is 369.0 secs Computing kpt #: 46 total cpu time spent up to now is 375.8 secs Computing kpt #: 47 total cpu time spent up to now is 383.3 secs Computing kpt #: 48 total cpu time spent up to now is 391.2 secs Computing kpt #: 49 total cpu time spent up to now is 399.4 secs Computing kpt #: 50 total cpu time spent up to now is 407.3 secs Computing kpt #: 51 total cpu time spent up to now is 416.3 secs Computing kpt #: 52 total cpu time spent up to now is 426.9 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.7 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.7 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.7 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.5 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 492.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.6 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.6 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.3 secs Computing kpt #: 62 total cpu time spent up to now is 534.4 secs Computing kpt #: 63 total cpu time spent up to now is 543.0 secs Computing kpt #: 64 total cpu time spent up to now is 550.1 secs Computing kpt #: 65 total cpu time spent up to now is 557.9 secs Computing kpt #: 66 total cpu time spent up to now is 565.2 secs Computing kpt #: 67 total cpu time spent up to now is 572.6 secs Computing kpt #: 68 total cpu time spent up to now is 579.6 secs Computing kpt #: 69 total cpu time spent up to now is 588.9 secs Computing kpt #: 70 total cpu time spent up to now is 597.4 secs Computing kpt #: 71 total cpu time spent up to now is 605.1 secs Computing kpt #: 72 total cpu time spent up to now is 612.3 secs Computing kpt #: 73 total cpu time spent up to now is 619.5 secs Computing kpt #: 74 total cpu time spent up to now is 627.4 secs Computing kpt #: 75 total cpu time spent up to now is 636.3 secs Computing kpt #: 76 total cpu time spent up to now is 644.2 secs Computing kpt #: 77 total cpu time spent up to now is 651.4 secs Computing kpt #: 78 total cpu time spent up to now is 659.7 secs Computing kpt #: 79 total cpu time spent up to now is 667.4 secs Computing kpt #: 80 total cpu time spent up to now is 675.1 secs Computing kpt #: 81 total cpu time spent up to now is 682.3 secs Computing kpt #: 82 total cpu time spent up to now is 689.4 secs Computing kpt #: 83 total cpu time spent up to now is 696.7 secs Computing kpt #: 84 total cpu time spent up to now is 704.6 secs Computing kpt #: 85 total cpu time spent up to now is 712.2 secs Computing kpt #: 86 total cpu time spent up to now is 719.3 secs Computing kpt #: 87 total cpu time spent up to now is 727.0 secs Computing kpt #: 88 total cpu time spent up to now is 733.8 secs Computing kpt #: 89 total cpu time spent up to now is 740.9 secs Computing kpt #: 90 total cpu time spent up to now is 747.9 secs Computing kpt #: 91 total cpu time spent up to now is 754.6 secs Computing kpt #: 92 total cpu time spent up to now is 761.2 secs Computing kpt #: 93 total cpu time spent up to now is 767.9 secs Computing kpt #: 94 total cpu time spent up to now is 774.3 secs Computing kpt #: 95 total cpu time spent up to now is 780.7 secs Computing kpt #: 96 total cpu time spent up to now is 787.2 secs Computing kpt #: 97 total cpu time spent up to now is 793.6 secs Computing kpt #: 98 total cpu time spent up to now is 800.1 secs Computing kpt #: 99 total cpu time spent up to now is 806.2 secs Computing kpt #: 100 total cpu time spent up to now is 812.5 secs Computing kpt #: 101 total cpu time spent up to now is 818.7 secs Computing kpt #: 102 total cpu time spent up to now is 824.7 secs Computing kpt #: 103 total cpu time spent up to now is 830.7 secs Computing kpt #: 104 total cpu time spent up to now is 836.7 secs Computing kpt #: 105 total cpu time spent up to now is 842.7 secs Computing kpt #: 106 total cpu time spent up to now is 848.8 secs Computing kpt #: 107 total cpu time spent up to now is 855.2 secs Computing kpt #: 108 total cpu time spent up to now is 861.5 secs Computing kpt #: 109 total cpu time spent up to now is 867.9 secs Computing kpt #: 110 total cpu time spent up to now is 874.2 secs Computing kpt #: 111 total cpu time spent up to now is 880.5 secs Computing kpt #: 112 total cpu time spent up to now is 887.5 secs Computing kpt #: 113 total cpu time spent up to now is 893.5 secs Computing kpt #: 114 total cpu time spent up to now is 899.4 secs Computing kpt #: 115 total cpu time spent up to now is 905.8 secs Computing kpt #: 116 total cpu time spent up to now is 911.9 secs Computing kpt #: 117 total cpu time spent up to now is 917.7 secs Computing kpt #: 118 total cpu time spent up to now is 923.5 secs Computing kpt #: 119 total cpu time spent up to now is 929.1 secs Computing kpt #: 120 total cpu time spent up to now is 934.6 secs Computing kpt #: 121 total cpu time spent up to now is 940.1 secs Computing kpt #: 122 total cpu time spent up to now is 945.5 secs Computing kpt #: 123 total cpu time spent up to now is 950.9 secs Computing kpt #: 124 total cpu time spent up to now is 956.4 secs Computing kpt #: 125 total cpu time spent up to now is 961.8 secs Computing kpt #: 126 total cpu time spent up to now is 967.3 secs Computing kpt #: 127 total cpu time spent up to now is 973.0 secs Computing kpt #: 128 total cpu time spent up to now is 978.7 secs Computing kpt #: 129 total cpu time spent up to now is 984.6 secs Computing kpt #: 130 total cpu time spent up to now is 990.6 secs Computing kpt #: 131 total cpu time spent up to now is 996.6 secs Computing kpt #: 132 total cpu time spent up to now is 1002.6 secs Computing kpt #: 133 total cpu time spent up to now is 1008.9 secs Computing kpt #: 134 total cpu time spent up to now is 1015.2 secs Computing kpt #: 135 total cpu time spent up to now is 1021.5 secs Computing kpt #: 136 total cpu time spent up to now is 1027.8 secs Computing kpt #: 137 total cpu time spent up to now is 1034.0 secs Computing kpt #: 138 total cpu time spent up to now is 1040.2 secs Computing kpt #: 139 total cpu time spent up to now is 1046.6 secs Computing kpt #: 140 total cpu time spent up to now is 1053.3 secs Computing kpt #: 141 total cpu time spent up to now is 1059.5 secs Computing kpt #: 142 total cpu time spent up to now is 1065.7 secs Computing kpt #: 143 total cpu time spent up to now is 1072.2 secs Computing kpt #: 144 total cpu time spent up to now is 1078.5 secs Computing kpt #: 145 total cpu time spent up to now is 1084.7 secs Computing kpt #: 146 total cpu time spent up to now is 1090.9 secs Computing kpt #: 147 total cpu time spent up to now is 1097.3 secs Computing kpt #: 148 total cpu time spent up to now is 1103.6 secs Computing kpt #: 149 total cpu time spent up to now is 1109.9 secs Computing kpt #: 150 total cpu time spent up to now is 1116.4 secs Computing kpt #: 151 total cpu time spent up to now is 1122.8 secs Computing kpt #: 152 total cpu time spent up to now is 1129.4 secs Computing kpt #: 153 total cpu time spent up to now is 1135.8 secs Computing kpt #: 154 total cpu time spent up to now is 1142.5 secs Computing kpt #: 155 total cpu time spent up to now is 1149.2 secs Computing kpt #: 156 total cpu time spent up to now is 1156.1 secs Computing kpt #: 157 total cpu time spent up to now is 1162.8 secs Computing kpt #: 158 total cpu time spent up to now is 1169.5 secs Computing kpt #: 159 total cpu time spent up to now is 1175.9 secs Computing kpt #: 160 total cpu time spent up to now is 1182.3 secs Computing kpt #: 161 total cpu time spent up to now is 1191.1 secs Computing kpt #: 162 total cpu time spent up to now is 1197.6 secs Computing kpt #: 163 total cpu time spent up to now is 1204.3 secs Computing kpt #: 164 total cpu time spent up to now is 1211.0 secs Computing kpt #: 165 total cpu time spent up to now is 1217.4 secs Computing kpt #: 166 total cpu time spent up to now is 1223.8 secs Computing kpt #: 167 total cpu time spent up to now is 1230.3 secs Computing kpt #: 168 total cpu time spent up to now is 1236.5 secs Computing kpt #: 169 total cpu time spent up to now is 1243.0 secs Computing kpt #: 170 total cpu time spent up to now is 1249.6 secs Computing kpt #: 171 total cpu time spent up to now is 1256.2 secs Computing kpt #: 172 total cpu time spent up to now is 1262.7 secs Computing kpt #: 173 total cpu time spent up to now is 1269.1 secs Computing kpt #: 174 total cpu time spent up to now is 1276.9 secs Computing kpt #: 175 total cpu time spent up to now is 1285.5 secs Computing kpt #: 176 total cpu time spent up to now is 1294.0 secs Computing kpt #: 177 total cpu time spent up to now is 1302.3 secs Computing kpt #: 178 total cpu time spent up to now is 1312.3 secs Computing kpt #: 179 total cpu time spent up to now is 1323.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1334.3 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1345.3 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1356.3 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1367.3 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1378.2 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1400.2 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1411.1 secs Computing kpt #: 188 total cpu time spent up to now is 1416.5 secs Computing kpt #: 189 total cpu time spent up to now is 1421.9 secs Computing kpt #: 190 total cpu time spent up to now is 1427.5 secs Computing kpt #: 191 total cpu time spent up to now is 1433.2 secs Computing kpt #: 192 total cpu time spent up to now is 1438.9 secs Computing kpt #: 193 total cpu time spent up to now is 1444.7 secs Computing kpt #: 194 total cpu time spent up to now is 1450.5 secs Computing kpt #: 195 total cpu time spent up to now is 1456.8 secs Computing kpt #: 196 total cpu time spent up to now is 1463.1 secs Computing kpt #: 197 total cpu time spent up to now is 1469.4 secs Computing kpt #: 198 total cpu time spent up to now is 1475.7 secs Computing kpt #: 199 total cpu time spent up to now is 1482.0 secs Computing kpt #: 200 total cpu time spent up to now is 1489.4 secs Computing kpt #: 201 total cpu time spent up to now is 1495.8 secs Computing kpt #: 202 total cpu time spent up to now is 1502.2 secs Computing kpt #: 203 total cpu time spent up to now is 1508.6 secs Computing kpt #: 204 total cpu time spent up to now is 1515.0 secs Computing kpt #: 205 total cpu time spent up to now is 1521.4 secs Computing kpt #: 206 total cpu time spent up to now is 1527.6 secs Computing kpt #: 207 total cpu time spent up to now is 1533.9 secs Computing kpt #: 208 total cpu time spent up to now is 1540.3 secs Computing kpt #: 209 total cpu time spent up to now is 1546.7 secs Computing kpt #: 210 total cpu time spent up to now is 1553.1 secs Computing kpt #: 211 total cpu time spent up to now is 1559.5 secs Computing kpt #: 212 total cpu time spent up to now is 1565.9 secs Computing kpt #: 213 total cpu time spent up to now is 1572.2 secs Computing kpt #: 214 total cpu time spent up to now is 1578.5 secs Computing kpt #: 215 total cpu time spent up to now is 1585.0 secs Computing kpt #: 216 total cpu time spent up to now is 1591.5 secs Computing kpt #: 217 total cpu time spent up to now is 1597.8 secs Computing kpt #: 218 total cpu time spent up to now is 1604.3 secs Computing kpt #: 219 total cpu time spent up to now is 1610.8 secs Computing kpt #: 220 total cpu time spent up to now is 1617.4 secs Computing kpt #: 221 total cpu time spent up to now is 1623.9 secs Computing kpt #: 222 total cpu time spent up to now is 1630.7 secs Computing kpt #: 223 total cpu time spent up to now is 1637.3 secs Computing kpt #: 224 total cpu time spent up to now is 1644.0 secs Computing kpt #: 225 total cpu time spent up to now is 1650.7 secs Computing kpt #: 226 total cpu time spent up to now is 1657.5 secs Computing kpt #: 227 total cpu time spent up to now is 1664.2 secs Computing kpt #: 228 total cpu time spent up to now is 1671.0 secs Computing kpt #: 229 total cpu time spent up to now is 1677.8 secs Computing kpt #: 230 total cpu time spent up to now is 1684.8 secs Computing kpt #: 231 total cpu time spent up to now is 1691.8 secs Computing kpt #: 232 total cpu time spent up to now is 1699.5 secs Computing kpt #: 233 total cpu time spent up to now is 1707.0 secs Computing kpt #: 234 total cpu time spent up to now is 1714.9 secs Computing kpt #: 235 total cpu time spent up to now is 1722.9 secs Computing kpt #: 236 total cpu time spent up to now is 1731.7 secs Computing kpt #: 237 total cpu time spent up to now is 1741.0 secs Computing kpt #: 238 total cpu time spent up to now is 1750.7 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1761.6 secs Computing kpt #: 240 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1772.8 secs Computing kpt #: 241 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1784.5 secs Computing kpt #: 242 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1796.1 secs Computing kpt #: 243 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1807.3 secs Computing kpt #: 244 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1818.6 secs Computing kpt #: 245 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1830.1 secs Computing kpt #: 246 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1841.3 secs Computing kpt #: 247 total cpu time spent up to now is 1847.2 secs Computing kpt #: 248 total cpu time spent up to now is 1853.2 secs Computing kpt #: 249 total cpu time spent up to now is 1859.7 secs Computing kpt #: 250 total cpu time spent up to now is 1866.1 secs Computing kpt #: 251 total cpu time spent up to now is 1872.4 secs Computing kpt #: 252 total cpu time spent up to now is 1878.8 secs Computing kpt #: 253 total cpu time spent up to now is 1885.4 secs Computing kpt #: 254 total cpu time spent up to now is 1891.9 secs Computing kpt #: 255 total cpu time spent up to now is 1898.5 secs Computing kpt #: 256 total cpu time spent up to now is 1904.9 secs Computing kpt #: 257 total cpu time spent up to now is 1911.8 secs Computing kpt #: 258 total cpu time spent up to now is 1918.6 secs Computing kpt #: 259 total cpu time spent up to now is 1925.2 secs Computing kpt #: 260 total cpu time spent up to now is 1931.9 secs Computing kpt #: 261 total cpu time spent up to now is 1938.4 secs Computing kpt #: 262 total cpu time spent up to now is 1945.0 secs Computing kpt #: 263 total cpu time spent up to now is 1951.4 secs Computing kpt #: 264 total cpu time spent up to now is 1958.0 secs Computing kpt #: 265 total cpu time spent up to now is 1964.5 secs Computing kpt #: 266 total cpu time spent up to now is 1970.7 secs ethr = 1.56E-11, avg # of iterations = 57.7 total cpu time spent up to now is 1970.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6815 PWs) bands (ev): -20.2454 -20.2454 -20.0780 -20.0780 -17.6016 -17.6016 -17.2430 -17.2430 -17.2376 -17.2376 -17.2272 -17.2272 -17.2211 -17.2211 -17.2072 -17.2072 -9.1275 -9.1275 -8.1365 -8.1365 -5.9311 -5.9311 -5.4920 -5.4920 -5.4446 -5.4446 -5.4263 -5.4263 -5.2116 -5.2116 -5.1681 -5.1681 -2.6066 -2.6066 -2.2304 -2.2304 -2.2185 -2.2185 -2.0557 -2.0557 -1.9030 -1.9030 -1.5795 -1.5795 -1.5378 -1.5378 -1.5278 -1.5278 -1.5073 -1.5073 -1.4950 -1.4950 -0.1595 -0.1595 -0.1014 -0.1014 0.6750 0.6750 0.7426 0.7426 0.8092 0.8092 0.8237 0.8237 6.5059 6.5059 8.9029 8.9029 9.1586 9.1586 9.8746 9.8746 10.3693 10.3693 10.3975 10.3975 k = 0.0000 0.0000 0.0261 ( 6815 PWs) bands (ev): -20.2452 -20.2452 -20.0779 -20.0779 -17.6021 -17.6016 -17.2431 -17.2430 -17.2378 -17.2375 -17.2274 -17.2272 -17.2213 -17.2210 -17.2078 -17.2077 -9.1261 -9.1261 -8.1351 -8.1351 -5.9331 -5.9325 -5.4929 -5.4909 -5.4456 -5.4438 -5.4264 -5.4257 -5.2110 -5.2106 -5.1677 -5.1674 -2.6066 -2.6066 -2.2305 -2.2303 -2.2190 -2.2189 -2.0552 -2.0550 -1.9033 -1.9031 -1.5807 -1.5798 -1.5439 -1.5365 -1.5322 -1.5218 -1.5075 -1.5061 -1.4965 -1.4928 -0.1599 -0.1597 -0.1022 -0.1021 0.6744 0.6751 0.7409 0.7421 0.8077 0.8078 0.8218 0.8232 6.5082 6.5082 8.9042 8.9043 9.1603 9.1604 9.8751 9.8764 10.3695 10.3705 10.3990 10.3994 k = 0.0000 0.0000 0.0522 ( 6817 PWs) bands (ev): -20.2444 -20.2444 -20.0774 -20.0774 -17.6029 -17.6021 -17.2433 -17.2430 -17.2382 -17.2375 -17.2279 -17.2275 -17.2217 -17.2211 -17.2093 -17.2091 -9.1218 -9.1218 -8.1311 -8.1311 -5.9387 -5.9374 -5.4935 -5.4896 -5.4469 -5.4436 -5.4258 -5.4242 -5.2088 -5.2079 -5.1663 -5.1656 -2.6068 -2.6067 -2.2304 -2.2302 -2.2204 -2.2203 -2.0536 -2.0532 -1.9041 -1.9036 -1.5833 -1.5816 -1.5520 -1.5455 -1.5290 -1.5179 -1.5069 -1.5035 -1.4973 -1.4897 -0.1608 -0.1605 -0.1046 -0.1043 0.6731 0.6746 0.7372 0.7396 0.8034 0.8036 0.8176 0.8205 6.5151 6.5151 8.9081 8.9084 9.1656 9.1657 9.8779 9.8805 10.3710 10.3730 10.4042 10.4052 k = 0.0000 0.0000 0.0783 ( 6817 PWs) bands (ev): -20.2431 -20.2431 -20.0767 -20.0766 -17.6042 -17.6030 -17.2435 -17.2431 -17.2387 -17.2376 -17.2287 -17.2281 -17.2223 -17.2214 -17.2117 -17.2113 -9.1148 -9.1148 -8.1244 -8.1243 -5.9476 -5.9458 -5.4938 -5.4881 -5.4488 -5.4444 -5.4242 -5.4215 -5.2050 -5.2037 -5.1637 -5.1626 -2.6071 -2.6069 -2.2304 -2.2301 -2.2227 -2.2224 -2.0510 -2.0503 -1.9052 -1.9045 -1.5874 -1.5849 -1.5620 -1.5563 -1.5262 -1.5159 -1.5061 -1.5008 -1.4961 -1.4859 -0.1625 -0.1620 -0.1083 -0.1079 0.6710 0.6734 0.7317 0.7350 0.7962 0.7966 0.8112 0.8154 6.5265 6.5266 8.9147 8.9151 9.1744 9.1747 9.8829 9.8867 10.3736 10.3764 10.4132 10.4149 k = 0.0000 0.0000 0.1044 ( 6820 PWs) bands (ev): -20.2413 -20.2413 -20.0756 -20.0755 -17.6059 -17.6043 -17.2439 -17.2433 -17.2395 -17.2378 -17.2301 -17.2293 -17.2231 -17.2219 -17.2147 -17.2140 -9.1049 -9.1049 -8.1150 -8.1149 -5.9597 -5.9574 -5.4937 -5.4865 -5.4517 -5.4464 -5.4213 -5.4173 -5.1999 -5.1982 -5.1600 -5.1586 -2.6074 -2.6072 -2.2308 -2.2304 -2.2253 -2.2248 -2.0473 -2.0465 -1.9068 -1.9058 -1.5932 -1.5898 -1.5741 -1.5684 -1.5240 -1.5146 -1.5052 -1.5006 -1.4912 -1.4812 -0.1649 -0.1643 -0.1132 -0.1127 0.6676 0.6711 0.7247 0.7289 0.7863 0.7868 0.8026 0.8081 6.5425 6.5425 8.9236 8.9242 9.1869 9.1873 9.8901 9.8952 10.3768 10.3804 10.4262 10.4288 k = 0.0000 0.0000 0.1305 ( 6820 PWs) bands (ev): -20.2390 -20.2390 -20.0742 -20.0741 -17.6081 -17.6060 -17.2445 -17.2437 -17.2405 -17.2382 -17.2323 -17.2312 -17.2242 -17.2226 -17.2177 -17.2166 -9.0923 -9.0923 -8.1031 -8.1029 -5.9749 -5.9720 -5.4935 -5.4846 -5.4558 -5.4496 -5.4169 -5.4118 -5.1935 -5.1915 -5.1553 -5.1534 -2.6078 -2.6076 -2.2328 -2.2324 -2.2268 -2.2262 -2.0428 -2.0418 -1.9088 -1.9076 -1.6013 -1.5967 -1.5876 -1.5808 -1.5223 -1.5132 -1.5043 -1.5009 -1.4851 -1.4760 -0.1684 -0.1675 -0.1189 -0.1184 0.6624 0.6673 0.7169 0.7217 0.7738 0.7744 0.7919 0.7985 6.5630 6.5630 8.9349 8.9355 9.2031 9.2035 9.8995 9.9057 10.3805 10.3849 10.4433 10.4466 k = 0.0000 0.0000 0.1566 ( 6827 PWs) bands (ev): -20.2362 -20.2362 -20.0726 -20.0724 -17.6106 -17.6082 -17.2457 -17.2444 -17.2421 -17.2391 -17.2358 -17.2337 -17.2256 -17.2234 -17.2202 -17.2186 -9.0770 -9.0770 -8.0886 -8.0884 -5.9928 -5.9896 -5.4931 -5.4827 -5.4610 -5.4533 -5.4113 -5.4052 -5.1861 -5.1839 -5.1495 -5.1472 -2.6083 -2.6080 -2.2367 -2.2365 -2.2268 -2.2260 -2.0376 -2.0364 -1.9112 -1.9099 -1.6138 -1.6095 -1.5985 -1.5919 -1.5210 -1.5116 -1.5034 -1.5012 -1.4787 -1.4704 -0.1732 -0.1720 -0.1250 -0.1245 0.6546 0.6611 0.7091 0.7142 0.7589 0.7597 0.7791 0.7867 6.5879 6.5879 8.9481 8.9489 9.2231 9.2236 9.9110 9.9182 10.3847 10.3897 10.4641 10.4682 k = 0.0000 0.0000 0.1827 ( 6825 PWs) bands (ev): -20.2330 -20.2329 -20.0707 -20.0705 -17.6136 -17.6108 -17.2489 -17.2468 -17.2436 -17.2410 -17.2388 -17.2360 -17.2270 -17.2243 -17.2219 -17.2198 -9.0591 -9.0591 -8.0716 -8.0714 -6.0134 -6.0097 -5.4933 -5.4812 -5.4667 -5.4571 -5.4044 -5.3976 -5.1779 -5.1755 -5.1426 -5.1398 -2.6089 -2.6085 -2.2418 -2.2416 -2.2260 -2.2251 -2.0318 -2.0304 -1.9141 -1.9127 -1.6312 -1.6282 -1.6065 -1.6010 -1.5200 -1.5097 -1.5029 -1.5007 -1.4721 -1.4645 -0.1795 -0.1781 -0.1311 -0.1306 0.6435 0.6516 0.7017 0.7069 0.7421 0.7431 0.7645 0.7728 6.6170 6.6171 8.9633 8.9641 9.2469 9.2474 9.9245 9.9326 10.3892 10.3951 10.4885 10.4932 k = 0.0000 0.0000 0.2088 ( 6826 PWs) bands (ev): -20.2292 -20.2292 -20.0685 -20.0683 -17.6169 -17.6137 -17.2553 -17.2529 -17.2445 -17.2429 -17.2402 -17.2374 -17.2283 -17.2253 -17.2231 -17.2207 -9.0386 -9.0386 -8.0522 -8.0519 -6.0363 -6.0322 -5.4948 -5.4825 -5.4706 -5.4596 -5.3966 -5.3892 -5.1690 -5.1666 -5.1347 -5.1315 -2.6095 -2.6090 -2.2476 -2.2473 -2.2248 -2.2238 -2.0257 -2.0241 -1.9173 -1.9158 -1.6522 -1.6500 -1.6143 -1.6092 -1.5192 -1.5076 -1.5029 -1.4994 -1.4655 -1.4583 -0.1875 -0.1857 -0.1370 -0.1364 0.6289 0.6382 0.6939 0.6989 0.7248 0.7260 0.7481 0.7569 6.6504 6.6505 8.9800 8.9809 9.2745 9.2751 9.9397 9.9487 10.3943 10.4009 10.5161 10.5214 k = 0.0000 0.0000 0.2349 ( 6830 PWs) bands (ev): -20.2251 -20.2250 -20.0662 -20.0659 -17.6205 -17.6170 -17.2638 -17.2615 -17.2453 -17.2438 -17.2413 -17.2384 -17.2294 -17.2262 -17.2240 -17.2214 -9.0156 -9.0155 -8.0305 -8.0302 -6.0613 -6.0569 -5.4989 -5.4892 -5.4699 -5.4598 -5.3880 -5.3801 -5.1597 -5.1573 -5.1259 -5.1223 -2.6101 -2.6096 -2.2538 -2.2534 -2.2231 -2.2220 -2.0196 -2.0177 -1.9207 -1.9193 -1.6760 -1.6741 -1.6222 -1.6174 -1.5186 -1.5059 -1.5025 -1.4975 -1.4588 -1.4520 -0.1970 -0.1950 -0.1423 -0.1416 0.6112 0.6214 0.6820 0.6863 0.7104 0.7123 0.7305 0.7393 6.6880 6.6880 8.9981 8.9990 9.3060 9.3066 9.9564 9.9662 10.3998 10.4073 10.5467 10.5524 k = 0.0000 0.0000 0.2610 ( 6830 PWs) bands (ev): -20.2205 -20.2205 -20.0636 -20.0633 -17.6245 -17.6207 -17.2738 -17.2717 -17.2462 -17.2445 -17.2423 -17.2394 -17.2305 -17.2271 -17.2247 -17.2220 -8.9902 -8.9901 -8.0066 -8.0062 -6.0882 -6.0836 -5.5059 -5.4990 -5.4667 -5.4575 -5.3787 -5.3705 -5.1500 -5.1476 -5.1163 -5.1123 -2.6108 -2.6102 -2.2605 -2.2600 -2.2211 -2.2199 -2.0139 -2.0116 -1.9240 -1.9227 -1.7021 -1.7004 -1.6304 -1.6258 -1.5181 -1.5053 -1.5007 -1.4952 -1.4522 -1.4457 -0.2080 -0.2057 -0.1472 -0.1465 0.5908 0.6015 0.6627 0.6660 0.6992 0.7052 0.7135 0.7205 6.7295 6.7296 9.0174 9.0184 9.3412 9.3418 9.9744 9.9848 10.4059 10.4142 10.5800 10.5859 k = 0.0000 0.0000 0.2870 ( 6832 PWs) bands (ev): -20.2155 -20.2155 -20.0608 -20.0605 -17.6287 -17.6246 -17.2850 -17.2829 -17.2472 -17.2451 -17.2432 -17.2403 -17.2315 -17.2280 -17.2254 -17.2225 -8.9624 -8.9624 -7.9806 -7.9802 -6.1168 -6.1119 -5.5154 -5.5104 -5.4623 -5.4533 -5.3688 -5.3603 -5.1399 -5.1376 -5.1060 -5.1017 -2.6114 -2.6107 -2.2673 -2.2668 -2.2187 -2.2174 -2.0092 -2.0066 -1.9266 -1.9256 -1.7301 -1.7285 -1.6389 -1.6344 -1.5178 -1.5054 -1.4981 -1.4926 -1.4457 -1.4394 -0.2198 -0.2173 -0.1519 -0.1510 0.5681 0.5791 0.6383 0.6412 0.6826 0.6957 0.7024 0.7078 6.7750 6.7750 9.0378 9.0388 9.3800 9.3806 9.9932 10.0041 10.4126 10.4218 10.6155 10.6216 k = 0.0000 0.0000 0.3131 ( 6830 PWs) bands (ev): -20.2101 -20.2101 -20.0579 -20.0576 -17.6332 -17.6289 -17.2972 -17.2951 -17.2483 -17.2456 -17.2442 -17.2412 -17.2323 -17.2289 -17.2261 -17.2230 -8.9325 -8.9325 -7.9527 -7.9522 -6.1469 -6.1418 -5.5268 -5.5231 -5.4568 -5.4478 -5.3585 -5.3498 -5.1296 -5.1273 -5.0952 -5.0907 -2.6121 -2.6113 -2.2744 -2.2738 -2.2158 -2.2144 -2.0066 -2.0036 -1.9278 -1.9272 -1.7597 -1.7582 -1.6477 -1.6432 -1.5175 -1.5057 -1.4951 -1.4898 -1.4393 -1.4331 -0.2321 -0.2294 -0.1564 -0.1555 0.5435 0.5545 0.6110 0.6139 0.6608 0.6737 0.7003 0.7038 6.8241 6.8242 9.0591 9.0601 9.4222 9.4228 10.0123 10.0237 10.4200 10.4301 10.6531 10.6591 k = 0.0000 0.0000 0.3392 ( 6826 PWs) bands (ev): -20.2044 -20.2044 -20.0548 -20.0545 -17.6379 -17.6333 -17.3102 -17.3080 -17.2496 -17.2462 -17.2452 -17.2421 -17.2331 -17.2297 -17.2267 -17.2236 -8.9005 -8.9005 -7.9230 -7.9225 -6.1783 -6.1730 -5.5398 -5.5370 -5.4505 -5.4413 -5.3478 -5.3390 -5.1190 -5.1168 -5.0841 -5.0794 -2.6127 -2.6118 -2.2817 -2.2810 -2.2124 -2.2109 -2.0069 -2.0036 -1.9268 -1.9263 -1.7906 -1.7892 -1.6567 -1.6523 -1.5173 -1.5060 -1.4920 -1.4867 -1.4331 -1.4269 -0.2445 -0.2416 -0.1610 -0.1600 0.5173 0.5281 0.5818 0.5850 0.6367 0.6494 0.6992 0.7019 6.8770 6.8771 9.0811 9.0821 9.4676 9.4682 10.0311 10.0428 10.4282 10.4392 10.6922 10.6981 k = 0.0000 0.0000 0.3653 ( 6828 PWs) bands (ev): -20.1983 -20.1983 -20.0517 -20.0513 -17.6427 -17.6380 -17.3239 -17.3217 -17.2509 -17.2468 -17.2463 -17.2429 -17.2339 -17.2305 -17.2273 -17.2241 -8.8666 -8.8665 -7.8916 -7.8911 -6.2108 -6.2053 -5.5542 -5.5521 -5.4433 -5.4340 -5.3369 -5.3280 -5.1082 -5.1061 -5.0728 -5.0680 -2.6132 -2.6122 -2.2890 -2.2882 -2.2085 -2.2069 -2.0108 -2.0074 -1.9232 -1.9226 -1.8224 -1.8211 -1.6660 -1.6617 -1.5172 -1.5064 -1.4888 -1.4835 -1.4270 -1.4209 -0.2567 -0.2535 -0.1658 -0.1647 0.4897 0.5000 0.5514 0.5549 0.6111 0.6237 0.6986 0.7009 6.9333 6.9334 9.1038 9.1048 9.5159 9.5165 10.0489 10.0607 10.4374 10.4493 10.7325 10.7381 k = 0.0000 0.0000 0.3914 ( 6838 PWs) bands (ev): -20.1920 -20.1920 -20.0485 -20.0481 -17.6477 -17.6428 -17.3382 -17.3359 -17.2523 -17.2476 -17.2473 -17.2437 -17.2346 -17.2313 -17.2278 -17.2246 -8.8308 -8.8307 -7.8589 -7.8582 -6.2442 -6.2386 -5.5700 -5.5684 -5.4354 -5.4261 -5.3259 -5.3169 -5.0972 -5.0952 -5.0615 -5.0565 -2.6137 -2.6126 -2.2964 -2.2956 -2.2041 -2.2023 -2.0183 -2.0150 -1.9174 -1.9163 -1.8545 -1.8533 -1.6755 -1.6713 -1.5172 -1.5068 -1.4856 -1.4802 -1.4212 -1.4151 -0.2682 -0.2649 -0.1709 -0.1698 0.4607 0.4704 0.5201 0.5241 0.5843 0.5967 0.6983 0.7003 6.9929 6.9930 9.1271 9.1281 9.5668 9.5673 10.0648 10.0765 10.4476 10.4604 10.7733 10.7784 k = 0.0000 0.0000 0.4175 ( 6835 PWs) bands (ev): -20.1854 -20.1854 -20.0453 -20.0449 -17.6527 -17.6477 -17.3530 -17.3507 -17.2537 -17.2487 -17.2479 -17.2444 -17.2352 -17.2320 -17.2284 -17.2252 -8.7934 -8.7933 -7.8249 -7.8242 -6.2783 -6.2725 -5.5869 -5.5857 -5.4269 -5.4175 -5.3148 -5.3058 -5.0860 -5.0841 -5.0501 -5.0452 -2.6141 -2.6129 -2.3039 -2.3029 -2.1991 -2.1972 -2.0291 -2.0260 -1.9125 -1.9103 -1.8843 -1.8828 -1.6852 -1.6810 -1.5171 -1.5071 -1.4825 -1.4770 -1.4157 -1.4096 -0.2788 -0.2753 -0.1763 -0.1751 0.4304 0.4394 0.4886 0.4932 0.5565 0.5688 0.6982 0.6999 7.0557 7.0559 9.1509 9.1519 9.6199 9.6204 10.0776 10.0891 10.4591 10.4727 10.8138 10.8181 k = 0.0000 0.0000 0.4436 ( 6842 PWs) bands (ev): -20.1786 -20.1786 -20.0420 -20.0416 -17.6578 -17.6526 -17.3682 -17.3658 -17.2550 -17.2500 -17.2485 -17.2451 -17.2358 -17.2327 -17.2290 -17.2257 -8.7544 -8.7543 -7.7900 -7.7891 -6.3130 -6.3071 -5.6050 -5.6041 -5.4178 -5.4083 -5.3039 -5.2948 -5.0747 -5.0729 -5.0389 -5.0340 -2.6143 -2.6130 -2.3112 -2.3102 -2.1936 -2.1916 -2.0426 -2.0400 -1.9269 -1.9254 -1.8916 -1.8909 -1.6949 -1.6908 -1.5171 -1.5074 -1.4794 -1.4739 -1.4105 -1.4045 -0.2882 -0.2846 -0.1821 -0.1809 0.3989 0.4070 0.4572 0.4624 0.5279 0.5399 0.6982 0.6998 7.1216 7.1218 9.1751 9.1760 9.6747 9.6752 10.0863 10.0972 10.4720 10.4861 10.8524 10.8557 k = 0.0000 0.0000 0.4697 ( 6833 PWs) bands (ev): -20.1716 -20.1716 -20.0388 -20.0385 -17.6628 -17.6575 -17.3837 -17.3813 -17.2563 -17.2512 -17.2491 -17.2458 -17.2364 -17.2334 -17.2295 -17.2263 -8.7141 -8.7141 -7.7544 -7.7534 -6.3479 -6.3419 -5.6241 -5.6236 -5.4082 -5.3986 -5.2931 -5.2840 -5.0634 -5.0616 -5.0280 -5.0230 -2.6144 -2.6130 -2.3185 -2.3175 -2.1875 -2.1854 -2.0588 -2.0567 -1.9563 -1.9558 -1.8822 -1.8815 -1.7047 -1.7007 -1.5171 -1.5077 -1.4766 -1.4709 -1.4057 -1.3997 -0.2963 -0.2925 -0.1884 -0.1870 0.3662 0.3734 0.4266 0.4323 0.4986 0.5102 0.6982 0.6997 7.1904 7.1907 9.1995 9.2003 9.7306 9.7312 10.0897 10.0998 10.4861 10.5007 10.8864 10.8884 k = 0.0000 0.0000 0.4958 ( 6835 PWs) bands (ev): -20.1645 -20.1645 -20.0357 -20.0353 -17.6676 -17.6623 -17.3994 -17.3969 -17.2576 -17.2525 -17.2497 -17.2465 -17.2369 -17.2341 -17.2301 -17.2268 -8.6727 -8.6726 -7.7183 -7.7172 -6.3829 -6.3768 -5.6443 -5.6440 -5.3981 -5.3885 -5.2826 -5.2735 -5.0521 -5.0504 -5.0172 -5.0124 -2.6144 -2.6128 -2.3257 -2.3246 -2.1810 -2.1788 -2.0777 -2.0763 -1.9863 -1.9859 -1.8706 -1.8697 -1.7142 -1.7104 -1.5170 -1.5080 -1.4740 -1.4682 -1.4013 -1.3954 -0.3027 -0.2988 -0.1951 -0.1937 0.3324 0.3388 0.3971 0.4032 0.4688 0.4800 0.6984 0.6997 7.2620 7.2622 9.2240 9.2248 9.7868 9.7874 10.0871 10.0962 10.5015 10.5162 10.9108 10.9123 k = 0.0000 0.0000 0.5219 ( 6833 PWs) bands (ev): -20.1573 -20.1573 -20.0327 -20.0323 -17.6723 -17.6670 -17.4152 -17.4127 -17.2588 -17.2537 -17.2502 -17.2471 -17.2374 -17.2347 -17.2306 -17.2274 -8.6303 -8.6302 -7.6822 -7.6809 -6.4178 -6.4115 -5.6654 -5.6654 -5.3876 -5.3781 -5.2725 -5.2635 -5.0409 -5.0393 -5.0068 -5.0021 -2.6142 -2.6125 -2.3327 -2.3316 -2.1742 -2.1719 -2.0994 -2.0983 -2.0150 -2.0138 -1.8586 -1.8574 -1.7234 -1.7196 -1.5170 -1.5082 -1.4716 -1.4658 -1.3975 -1.3916 -0.3074 -0.3034 -0.2021 -0.2007 0.2976 0.3034 0.3690 0.3752 0.4385 0.4493 0.6986 0.6998 7.3361 7.3364 9.2485 9.2493 9.8414 9.8421 10.0786 10.0863 10.5177 10.5322 10.9202 10.9229 k = 0.0000 0.0000 0.5480 ( 6833 PWs) bands (ev): -20.1501 -20.1500 -20.0299 -20.0295 -17.6768 -17.6714 -17.4310 -17.4284 -17.2599 -17.2548 -17.2508 -17.2477 -17.2379 -17.2353 -17.2311 -17.2279 -8.5872 -8.5871 -7.6464 -7.6449 -6.4521 -6.4458 -5.6876 -5.6874 -5.3768 -5.3673 -5.2629 -5.2539 -5.0299 -5.0283 -4.9968 -4.9922 -2.6137 -2.6119 -2.3396 -2.3384 -2.1678 -2.1657 -2.1231 -2.1216 -2.0412 -2.0393 -1.8469 -1.8455 -1.7315 -1.7279 -1.5170 -1.5084 -1.4695 -1.4637 -1.3943 -1.3884 -0.3103 -0.3061 -0.2096 -0.2081 0.2622 0.2674 0.3425 0.3486 0.4080 0.4182 0.6988 0.6999 7.4126 7.4130 9.2729 9.2736 9.8902 9.8912 10.0671 10.0734 10.5342 10.5484 10.9149 10.9190 k = 0.0000 0.0000 0.5741 ( 6827 PWs) bands (ev): -20.1428 -20.1427 -20.0272 -20.0268 -17.6809 -17.6756 -17.4467 -17.4441 -17.2608 -17.2560 -17.2513 -17.2484 -17.2384 -17.2359 -17.2316 -17.2285 -8.5436 -8.5435 -7.6112 -7.6096 -6.4856 -6.4792 -5.7106 -5.7102 -5.3658 -5.3562 -5.2540 -5.2450 -5.0191 -5.0175 -4.9871 -4.9827 -2.6130 -2.6111 -2.3462 -2.3449 -2.1675 -2.1653 -2.1433 -2.1404 -2.0647 -2.0622 -1.8366 -1.8349 -1.7378 -1.7344 -1.5170 -1.5085 -1.4677 -1.4619 -1.3918 -1.3859 -0.3112 -0.3070 -0.2172 -0.2157 0.2265 0.2312 0.3178 0.3234 0.3775 0.3870 0.6990 0.7000 7.4915 7.4918 9.2969 9.2976 9.9210 9.9223 10.0642 10.0685 10.5502 10.5639 10.9005 10.9056 k = 0.0000 0.0000 0.6002 ( 6825 PWs) bands (ev): -20.1356 -20.1355 -20.0247 -20.0243 -17.6847 -17.6795 -17.4622 -17.4595 -17.2617 -17.2570 -17.2518 -17.2490 -17.2388 -17.2364 -17.2320 -17.2290 -8.4997 -8.4996 -7.5773 -7.5755 -6.5179 -6.5115 -5.7341 -5.7336 -5.3545 -5.3450 -5.2457 -5.2368 -5.0086 -5.0071 -4.9778 -4.9736 -2.6121 -2.6100 -2.3526 -2.3513 -2.1877 -2.1844 -2.1448 -2.1409 -2.0852 -2.0827 -1.8293 -1.8273 -1.7409 -1.7377 -1.5169 -1.5087 -1.4663 -1.4605 -1.3900 -1.3841 -0.3104 -0.3061 -0.2250 -0.2235 0.1908 0.1952 0.2948 0.2998 0.3471 0.3558 0.6993 0.7002 7.5723 7.5727 9.3204 9.3211 9.9152 9.9171 10.0879 10.0902 10.5651 10.5780 10.8829 10.8888 k = 0.0000 0.0000 0.6263 ( 6831 PWs) bands (ev): -20.1285 -20.1284 -20.0225 -20.0221 -17.6882 -17.6830 -17.4774 -17.4746 -17.2625 -17.2580 -17.2523 -17.2495 -17.2392 -17.2370 -17.2325 -17.2296 -8.4559 -8.4558 -7.5450 -7.5431 -6.5486 -6.5422 -5.7582 -5.7575 -5.3432 -5.3337 -5.2383 -5.2294 -4.9986 -4.9971 -4.9690 -4.9650 -2.6109 -2.6087 -2.3587 -2.3573 -2.2154 -2.2117 -2.1405 -2.1363 -2.1014 -2.0992 -1.8266 -1.8242 -1.7391 -1.7363 -1.5169 -1.5088 -1.4651 -1.4595 -1.3890 -1.3832 -0.3077 -0.3033 -0.2326 -0.2311 0.1555 0.1596 0.2737 0.2775 0.3172 0.3247 0.6995 0.7003 7.6551 7.6556 9.3433 9.3439 9.8781 9.8798 10.1330 10.1343 10.5783 10.5904 10.8659 10.8723 k = 0.0000 0.0000 0.6524 ( 6827 PWs) bands (ev): -20.1215 -20.1214 -20.0205 -20.0201 -17.6911 -17.6861 -17.4921 -17.4894 -17.2632 -17.2589 -17.2527 -17.2501 -17.2395 -17.2375 -17.2329 -17.2301 -8.4124 -8.4124 -7.5149 -7.5128 -6.5772 -6.5708 -5.7825 -5.7816 -5.3318 -5.3224 -5.2317 -5.2229 -4.9890 -4.9876 -4.9607 -4.9570 -2.6094 -2.6071 -2.3645 -2.3631 -2.2439 -2.2398 -2.1429 -2.1385 -2.1077 -2.1062 -1.8292 -1.8264 -1.7321 -1.7295 -1.5169 -1.5089 -1.4642 -1.4587 -1.3889 -1.3831 -0.3033 -0.2990 -0.2397 -0.2384 0.1209 0.1248 0.2542 0.2563 0.2883 0.2941 0.6998 0.7005 7.7396 7.7401 9.3651 9.3658 9.8239 9.8251 10.1859 10.1868 10.5892 10.6004 10.8512 10.8578 k = 0.0000 0.0000 0.6785 ( 6825 PWs) bands (ev): -20.1148 -20.1147 -20.0188 -20.0184 -17.6936 -17.6887 -17.5063 -17.5036 -17.2638 -17.2597 -17.2531 -17.2507 -17.2399 -17.2379 -17.2332 -17.2306 -8.3697 -8.3697 -7.4875 -7.4853 -6.6033 -6.5970 -5.8068 -5.8058 -5.3206 -5.3112 -5.2261 -5.2173 -4.9799 -4.9786 -4.9529 -4.9494 -2.6076 -2.6051 -2.3701 -2.3686 -2.2718 -2.2675 -2.1546 -2.1505 -2.1029 -2.1009 -1.8359 -1.8330 -1.7210 -1.7185 -1.5168 -1.5090 -1.4636 -1.4582 -1.3899 -1.3841 -0.2977 -0.2935 -0.2458 -0.2447 0.0873 0.0909 0.2350 0.2362 0.2617 0.2645 0.7001 0.7007 7.8255 7.8260 9.3858 9.3864 9.7594 9.7602 10.2407 10.2415 10.5978 10.6081 10.8390 10.8457 k = 0.0000 0.0000 0.7046 ( 6821 PWs) bands (ev): -20.1083 -20.1082 -20.0173 -20.0169 -17.6956 -17.6909 -17.5199 -17.5171 -17.2643 -17.2605 -17.2535 -17.2512 -17.2401 -17.2384 -17.2335 -17.2311 -8.3282 -8.3281 -7.4634 -7.4611 -6.6263 -6.6202 -5.8308 -5.8298 -5.3094 -5.3001 -5.2215 -5.2128 -4.9714 -4.9702 -4.9457 -4.9425 -2.6055 -2.6029 -2.3754 -2.3738 -2.2984 -2.2939 -2.1692 -2.1654 -2.0933 -2.0909 -1.8455 -1.8424 -1.7073 -1.7049 -1.5168 -1.5091 -1.4631 -1.4579 -1.3918 -1.3859 -0.2916 -0.2876 -0.2502 -0.2493 0.0551 0.0585 0.2121 0.2180 0.2375 0.2393 0.7003 0.7009 7.9126 7.9131 9.4047 9.4053 9.6881 9.6885 10.2950 10.2958 10.6042 10.6136 10.8292 10.8357 k = 0.0000 0.0000 0.7307 ( 6813 PWs) bands (ev): -20.1022 -20.1021 -20.0161 -20.0158 -17.6971 -17.6926 -17.5326 -17.5299 -17.2647 -17.2612 -17.2538 -17.2517 -17.2404 -17.2388 -17.2338 -17.2316 -8.2882 -8.2882 -7.4430 -7.4407 -6.6460 -6.6401 -5.8543 -5.8532 -5.2985 -5.2892 -5.2180 -5.2093 -4.9637 -4.9625 -4.9391 -4.9362 -2.6030 -2.6004 -2.3807 -2.3788 -2.3233 -2.3185 -2.1837 -2.1802 -2.0818 -2.0792 -1.8567 -1.8536 -1.6922 -1.6897 -1.5168 -1.5093 -1.4628 -1.4577 -1.3947 -1.3889 -0.2864 -0.2828 -0.2517 -0.2502 0.0245 0.0277 0.1869 0.1959 0.2169 0.2218 0.7005 0.7010 8.0005 8.0011 9.4209 9.4217 9.6127 9.6129 10.3476 10.3484 10.6086 10.6173 10.8209 10.8272 k = 0.0000 0.0000 0.7568 ( 6815 PWs) bands (ev): -20.0965 -20.0964 -20.0152 -20.0149 -17.6981 -17.6939 -17.5444 -17.5418 -17.2650 -17.2619 -17.2541 -17.2522 -17.2406 -17.2392 -17.2340 -17.2320 -8.2504 -8.2504 -7.4265 -7.4242 -6.6620 -6.6565 -5.8767 -5.8757 -5.2879 -5.2787 -5.2156 -5.2069 -4.9566 -4.9556 -4.9330 -4.9305 -2.6002 -2.5976 -2.3861 -2.3840 -2.3456 -2.3406 -2.1973 -2.1941 -2.0694 -2.0666 -1.8692 -1.8660 -1.6766 -1.6740 -1.5168 -1.5095 -1.4625 -1.4576 -1.3986 -1.3927 -0.2839 -0.2806 -0.2485 -0.2460 -0.0041 -0.0011 0.1608 0.1701 0.2029 0.2079 0.7007 0.7012 8.0888 8.0894 9.4309 9.4319 9.5382 9.5384 10.3974 10.3983 10.6116 10.6197 10.8135 10.8195 k = 0.0000 0.0000 0.7829 ( 6809 PWs) bands (ev): -20.0913 -20.0912 -20.0146 -20.0143 -17.6986 -17.6947 -17.5551 -17.5527 -17.2652 -17.2625 -17.2543 -17.2526 -17.2408 -17.2395 -17.2342 -17.2325 -8.2154 -8.2154 -7.4140 -7.4119 -6.6743 -6.6692 -5.8977 -5.8967 -5.2777 -5.2685 -5.2143 -5.2055 -4.9504 -4.9495 -4.9277 -4.9255 -2.5972 -2.5947 -2.3927 -2.3902 -2.3643 -2.3591 -2.2096 -2.2067 -2.0562 -2.0533 -1.8824 -1.8792 -1.6610 -1.6583 -1.5169 -1.5099 -1.4623 -1.4575 -1.4034 -1.3975 -0.2839 -0.2809 -0.2407 -0.2375 -0.0303 -0.0276 0.1353 0.1439 0.1923 0.1967 0.7009 0.7013 8.1768 8.1775 9.4123 9.4137 9.4881 9.4886 10.4433 10.4444 10.6142 10.6217 10.8064 10.8120 k = 0.0000 0.0000 0.8090 ( 6789 PWs) bands (ev): -20.0867 -20.0866 -20.0142 -20.0139 -17.6986 -17.6952 -17.5646 -17.5624 -17.2653 -17.2630 -17.2545 -17.2530 -17.2409 -17.2399 -17.2343 -17.2328 -8.1839 -8.1839 -7.4053 -7.4034 -6.6831 -6.6786 -5.9168 -5.9159 -5.2680 -5.2589 -5.2141 -5.2054 -4.9450 -4.9442 -4.9231 -4.9212 -2.5940 -2.5916 -2.4016 -2.3994 -2.3768 -2.3725 -2.2203 -2.2178 -2.0425 -2.0396 -1.8963 -1.8930 -1.6461 -1.6433 -1.5171 -1.5104 -1.4619 -1.4573 -1.4088 -1.4029 -0.2847 -0.2820 -0.2302 -0.2269 -0.0537 -0.0513 0.1113 0.1189 0.1840 0.1875 0.7011 0.7014 8.2638 8.2645 9.3455 9.3467 9.4844 9.4846 10.4841 10.4855 10.6173 10.6244 10.7988 10.8041 k = 0.0000 0.0000 0.8351 ( 6791 PWs) bands (ev): -20.0827 -20.0826 -20.0139 -20.0137 -17.6984 -17.6955 -17.5727 -17.5708 -17.2654 -17.2635 -17.2546 -17.2534 -17.2410 -17.2401 -17.2344 -17.2332 -8.1566 -8.1565 -7.3998 -7.3981 -6.6888 -6.6850 -5.9334 -5.9326 -5.2588 -5.2498 -5.2150 -5.2063 -4.9405 -4.9399 -4.9192 -4.9177 -2.5907 -2.5885 -2.4129 -2.4112 -2.3834 -2.3805 -2.2292 -2.2272 -2.0284 -2.0254 -1.9105 -1.9073 -1.6322 -1.6295 -1.5172 -1.5111 -1.4613 -1.4569 -1.4145 -1.4088 -0.2853 -0.2830 -0.2187 -0.2157 -0.0739 -0.0717 0.0894 0.0961 0.1774 0.1802 0.7013 0.7015 8.3481 8.3488 9.2673 9.2682 9.4915 9.4916 10.5178 10.5196 10.6226 10.6293 10.7906 10.7954 k = 0.0000 0.0000 0.8611 ( 6795 PWs) bands (ev): -20.0795 -20.0794 -20.0138 -20.0136 -17.6979 -17.6956 -17.5792 -17.5776 -17.2654 -17.2639 -17.2546 -17.2537 -17.2410 -17.2404 -17.2344 -17.2335 -8.1342 -8.1342 -7.3968 -7.3955 -6.6920 -6.6891 -5.9470 -5.9464 -5.2503 -5.2413 -5.2170 -5.2083 -4.9370 -4.9365 -4.9161 -4.9150 -2.5876 -2.5858 -2.4240 -2.4226 -2.3869 -2.3850 -2.2363 -2.2348 -2.0140 -2.0110 -1.9250 -1.9218 -1.6202 -1.6176 -1.5173 -1.5121 -1.4605 -1.4564 -1.4200 -1.4148 -0.2855 -0.2836 -0.2076 -0.2051 -0.0902 -0.0884 0.0707 0.0761 0.1725 0.1746 0.7014 0.7015 8.4272 8.4278 9.1909 9.1918 9.4987 9.4987 10.5426 10.5443 10.6319 10.6379 10.7816 10.7858 k = 0.0000 0.0000 0.8872 ( 6799 PWs) bands (ev): -20.0771 -20.0771 -20.0138 -20.0137 -17.6972 -17.6957 -17.5839 -17.5828 -17.2653 -17.2643 -17.2546 -17.2540 -17.2410 -17.2406 -17.2344 -17.2338 -8.1176 -8.1176 -7.3954 -7.3945 -6.6935 -6.6915 -5.9571 -5.9567 -5.2425 -5.2336 -5.2202 -5.2114 -4.9344 -4.9341 -4.9138 -4.9130 -2.5849 -2.5836 -2.4328 -2.4317 -2.3888 -2.3877 -2.2414 -2.2403 -1.9994 -1.9963 -1.9398 -1.9366 -1.6105 -1.6085 -1.5172 -1.5133 -1.4593 -1.4560 -1.4245 -1.4203 -0.2852 -0.2839 -0.1983 -0.1965 -0.1022 -0.1008 0.0563 0.0602 0.1692 0.1705 0.7015 0.7016 8.4962 8.4968 9.1233 9.1240 9.5044 9.5044 10.5576 10.5590 10.6450 10.6497 10.7724 10.7758 k = 0.0000 0.0000 0.9133 ( 6801 PWs) bands (ev): -20.0757 -20.0756 -20.0138 -20.0137 -17.6966 -17.6958 -17.5866 -17.5861 -17.2651 -17.2646 -17.2545 -17.2542 -17.2410 -17.2408 -17.2343 -17.2340 -8.1073 -8.1073 -7.3948 -7.3944 -6.6938 -6.6928 -5.9633 -5.9631 -5.2356 -5.2268 -5.2243 -5.2155 -4.9328 -4.9327 -4.9123 -4.9120 -2.5830 -2.5823 -2.4383 -2.4377 -2.3898 -2.3893 -2.2443 -2.2438 -1.9846 -1.9814 -1.9547 -1.9515 -1.6040 -1.6028 -1.5167 -1.5146 -1.4580 -1.4560 -1.4272 -1.4247 -0.2847 -0.2840 -0.1918 -0.1909 -0.1093 -0.1086 0.0473 0.0494 0.1673 0.1680 0.7015 0.7016 8.5465 8.5469 9.0739 9.0743 9.5079 9.5079 10.5651 10.5657 10.6577 10.6604 10.7652 10.7672 k = 0.0000 0.0000 0.9394 ( 6786 PWs) bands (ev): -20.0751 -20.0751 -20.0138 -20.0138 -17.6961 -17.6961 -17.5874 -17.5874 -17.2649 -17.2649 -17.2544 -17.2544 -17.2409 -17.2409 -17.2342 -17.2342 -8.1038 -8.1038 -7.3945 -7.3945 -6.6936 -6.6936 -5.9653 -5.9653 -5.2295 -5.2295 -5.2206 -5.2206 -4.9322 -4.9322 -4.9117 -4.9117 -2.5820 -2.5820 -2.4400 -2.4400 -2.3899 -2.3899 -2.2451 -2.2451 -1.9697 -1.9697 -1.9664 -1.9664 -1.6013 -1.6013 -1.5158 -1.5158 -1.4567 -1.4567 -1.4272 -1.4272 -0.2842 -0.2842 -0.1892 -0.1892 -0.1115 -0.1115 0.0450 0.0450 0.1669 0.1669 0.7016 0.7016 8.5658 8.5658 9.0552 9.0552 9.5091 9.5091 10.5674 10.5674 10.6640 10.6640 10.7629 10.7629 k = 0.0000 0.0000 0.9394 ( 6786 PWs) bands (ev): -20.0751 -20.0751 -20.0138 -20.0138 -17.6961 -17.6961 -17.5874 -17.5874 -17.2649 -17.2649 -17.2544 -17.2544 -17.2409 -17.2409 -17.2342 -17.2342 -8.1038 -8.1038 -7.3945 -7.3945 -6.6936 -6.6936 -5.9653 -5.9653 -5.2295 -5.2295 -5.2206 -5.2206 -4.9322 -4.9322 -4.9117 -4.9117 -2.5820 -2.5820 -2.4400 -2.4400 -2.3899 -2.3899 -2.2451 -2.2451 -1.9697 -1.9697 -1.9664 -1.9664 -1.6013 -1.6013 -1.5158 -1.5158 -1.4567 -1.4567 -1.4272 -1.4272 -0.2842 -0.2842 -0.1892 -0.1892 -0.1115 -0.1115 0.0450 0.0450 0.1669 0.1669 0.7016 0.7016 8.5658 8.5658 9.0552 9.0552 9.5091 9.5091 10.5674 10.5674 10.6640 10.6640 10.7629 10.7629 k = 0.0000 0.0261 0.9394 ( 6808 PWs) bands (ev): -20.0750 -20.0750 -20.0138 -20.0137 -17.6963 -17.6960 -17.5877 -17.5876 -17.2650 -17.2648 -17.2546 -17.2543 -17.2412 -17.2407 -17.2344 -17.2340 -8.1027 -8.1026 -7.3947 -7.3945 -6.6937 -6.6933 -5.9669 -5.9667 -5.2328 -5.2254 -5.2238 -5.2166 -4.9332 -4.9316 -4.9122 -4.9108 -2.5820 -2.5819 -2.4403 -2.4398 -2.3920 -2.3912 -2.2461 -2.2458 -1.9738 -1.9705 -1.9627 -1.9601 -1.6013 -1.6003 -1.5161 -1.5156 -1.4567 -1.4566 -1.4275 -1.4271 -0.2850 -0.2842 -0.1889 -0.1889 -0.1137 -0.1122 0.0455 0.0469 0.1656 0.1657 0.7006 0.7009 8.5671 8.5672 9.0574 9.0574 9.5092 9.5093 10.5680 10.5688 10.6644 10.6648 10.7636 10.7643 k = 0.0000 0.0523 0.9394 ( 6809 PWs) bands (ev): -20.0745 -20.0745 -20.0138 -20.0137 -17.6964 -17.6959 -17.5887 -17.5884 -17.2650 -17.2647 -17.2549 -17.2542 -17.2415 -17.2405 -17.2347 -17.2338 -8.0990 -8.0989 -7.3949 -7.3946 -6.6937 -6.6928 -5.9713 -5.9708 -5.2351 -5.2263 -5.2204 -5.2118 -4.9345 -4.9315 -4.9120 -4.9095 -2.5818 -2.5815 -2.4409 -2.4399 -2.3973 -2.3956 -2.2488 -2.2481 -1.9757 -1.9723 -1.9529 -1.9509 -1.6002 -1.5984 -1.5164 -1.5153 -1.4567 -1.4563 -1.4279 -1.4272 -0.2866 -0.2850 -0.1881 -0.1879 -0.1183 -0.1156 0.0483 0.0508 0.1619 0.1622 0.6980 0.6985 8.5713 8.5713 9.0638 9.0639 9.5097 9.5098 10.5706 10.5723 10.6660 10.6669 10.7665 10.7678 k = 0.0000 0.0784 0.9394 ( 6812 PWs) bands (ev): -20.0738 -20.0737 -20.0138 -20.0137 -17.6965 -17.6957 -17.5901 -17.5897 -17.2650 -17.2645 -17.2552 -17.2541 -17.2419 -17.2404 -17.2350 -17.2337 -8.0930 -8.0928 -7.3953 -7.3949 -6.6934 -6.6920 -5.9785 -5.9778 -5.2365 -5.2277 -5.2149 -5.2063 -4.9360 -4.9321 -4.9111 -4.9078 -2.5813 -2.5810 -2.4417 -2.4402 -2.4053 -2.4029 -2.2529 -2.2520 -1.9761 -1.9727 -1.9401 -1.9385 -1.5983 -1.5954 -1.5167 -1.5149 -1.4566 -1.4560 -1.4285 -1.4275 -0.2888 -0.2865 -0.1872 -0.1867 -0.1245 -0.1206 0.0525 0.0560 0.1560 0.1565 0.6938 0.6946 8.5781 8.5782 9.0745 9.0746 9.5106 9.5107 10.5751 10.5775 10.6686 10.6699 10.7715 10.7735 k = 0.0000 0.1045 0.9394 ( 6812 PWs) bands (ev): -20.0727 -20.0727 -20.0138 -20.0137 -17.6966 -17.6955 -17.5922 -17.5916 -17.2650 -17.2644 -17.2555 -17.2541 -17.2423 -17.2404 -17.2353 -17.2336 -8.0846 -8.0843 -7.3961 -7.3955 -6.6926 -6.6908 -5.9884 -5.9875 -5.2369 -5.2281 -5.2087 -5.2002 -4.9379 -4.9332 -4.9095 -4.9058 -2.5807 -2.5802 -2.4428 -2.4407 -2.4155 -2.4124 -2.2585 -2.2573 -1.9753 -1.9720 -1.9247 -1.9232 -1.5954 -1.5916 -1.5169 -1.5146 -1.4564 -1.4556 -1.4292 -1.4279 -0.2917 -0.2887 -0.1872 -0.1861 -0.1305 -0.1256 0.0570 0.0610 0.1487 0.1495 0.6880 0.6891 8.5876 8.5877 9.0894 9.0896 9.5118 9.5120 10.5811 10.5841 10.6721 10.6737 10.7789 10.7816 k = 0.0000 0.1307 0.9394 ( 6815 PWs) bands (ev): -20.0714 -20.0713 -20.0138 -20.0137 -17.6967 -17.6953 -17.5947 -17.5940 -17.2650 -17.2642 -17.2559 -17.2541 -17.2428 -17.2404 -17.2357 -17.2336 -8.0738 -8.0735 -7.3974 -7.3967 -6.6911 -6.6889 -6.0009 -5.9999 -5.2363 -5.2276 -5.2020 -5.1937 -4.9400 -4.9351 -4.9073 -4.9034 -2.5799 -2.5793 -2.4446 -2.4416 -2.4272 -2.4233 -2.2652 -2.2638 -1.9738 -1.9705 -1.9071 -1.9052 -1.5918 -1.5870 -1.5171 -1.5142 -1.4561 -1.4552 -1.4302 -1.4285 -0.2952 -0.2916 -0.1891 -0.1873 -0.1345 -0.1289 0.0599 0.0642 0.1410 0.1424 0.6810 0.6823 8.5998 8.5999 9.1084 9.1086 9.5134 9.5135 10.5882 10.5917 10.6760 10.6777 10.7889 10.7922 k = 0.0000 0.1568 0.9394 ( 6819 PWs) bands (ev): -20.0697 -20.0697 -20.0138 -20.0137 -17.6967 -17.6951 -17.5978 -17.5969 -17.2650 -17.2639 -17.2564 -17.2542 -17.2432 -17.2405 -17.2360 -17.2336 -8.0608 -8.0603 -7.3996 -7.3988 -6.6888 -6.6861 -6.0159 -6.0147 -5.2348 -5.2262 -5.1950 -5.1869 -4.9425 -4.9374 -4.9044 -4.9006 -2.5790 -2.5783 -2.4482 -2.4443 -2.4384 -2.4338 -2.2730 -2.2714 -1.9719 -1.9685 -1.8876 -1.8851 -1.5875 -1.5816 -1.5173 -1.5137 -1.4557 -1.4546 -1.4312 -1.4293 -0.2994 -0.2952 -0.1936 -0.1914 -0.1351 -0.1291 0.0590 0.0635 0.1346 0.1371 0.6726 0.6742 8.6145 8.6147 9.1314 9.1316 9.5153 9.5154 10.5956 10.5993 10.6800 10.6815 10.8015 10.8056 k = 0.0000 0.1830 0.9394 ( 6827 PWs) bands (ev): -20.0678 -20.0678 -20.0139 -20.0137 -17.6966 -17.6948 -17.6013 -17.6003 -17.2649 -17.2637 -17.2568 -17.2543 -17.2437 -17.2406 -17.2363 -17.2336 -8.0455 -8.0450 -7.4028 -7.4019 -6.6852 -6.6822 -6.0333 -6.0320 -5.2324 -5.2239 -5.1878 -5.1798 -4.9453 -4.9403 -4.9011 -4.8975 -2.5780 -2.5772 -2.4572 -2.4544 -2.4427 -2.4399 -2.2817 -2.2798 -1.9697 -1.9663 -1.8668 -1.8636 -1.5826 -1.5757 -1.5173 -1.5132 -1.4553 -1.4539 -1.4324 -1.4302 -0.3041 -0.2993 -0.2005 -0.1981 -0.1319 -0.1260 0.0525 0.0569 0.1315 0.1350 0.6633 0.6650 8.6317 8.6319 9.1583 9.1585 9.5175 9.5177 10.6022 10.6057 10.6839 10.6847 10.8169 10.8217 k = 0.0000 0.2091 0.9394 ( 6828 PWs) bands (ev): -20.0657 -20.0656 -20.0140 -20.0138 -17.6965 -17.6944 -17.6053 -17.6041 -17.2648 -17.2634 -17.2574 -17.2544 -17.2443 -17.2409 -17.2366 -17.2337 -8.0280 -8.0274 -7.4075 -7.4065 -6.6801 -6.6768 -6.0530 -6.0514 -5.2293 -5.2209 -5.1803 -5.1725 -4.9484 -4.9436 -4.8975 -4.8941 -2.5770 -2.5761 -2.4703 -2.4672 -2.4448 -2.4422 -2.2909 -2.2888 -1.9673 -1.9640 -1.8450 -1.8413 -1.5773 -1.5693 -1.5172 -1.5125 -1.4548 -1.4532 -1.4337 -1.4313 -0.3095 -0.3041 -0.2087 -0.2063 -0.1259 -0.1201 0.0401 0.0446 0.1318 0.1362 0.6531 0.6550 8.6513 8.6515 9.1888 9.1891 9.5199 9.5201 10.6057 10.6085 10.6875 10.6882 10.8349 10.8404 k = 0.0000 0.2352 0.9394 ( 6828 PWs) bands (ev): -20.0633 -20.0633 -20.0142 -20.0140 -17.6962 -17.6939 -17.6097 -17.6084 -17.2648 -17.2630 -17.2579 -17.2545 -17.2448 -17.2412 -17.2368 -17.2338 -8.0085 -8.0078 -7.4139 -7.4129 -6.6732 -6.6695 -6.0747 -6.0730 -5.2254 -5.2171 -5.1727 -5.1652 -4.9519 -4.9473 -4.8936 -4.8904 -2.5762 -2.5751 -2.4837 -2.4802 -2.4466 -2.4436 -2.3006 -2.2983 -1.9650 -1.9616 -1.8230 -1.8187 -1.5715 -1.5626 -1.5169 -1.5116 -1.4543 -1.4525 -1.4352 -1.4325 -0.3154 -0.3093 -0.2175 -0.2147 -0.1179 -0.1124 0.0231 0.0280 0.1342 0.1392 0.6423 0.6444 8.6731 8.6733 9.2228 9.2231 9.5227 9.5229 10.6027 10.6047 10.6909 10.6935 10.8551 10.8613 k = 0.0000 0.2614 0.9394 ( 6816 PWs) bands (ev): -20.0608 -20.0607 -20.0144 -20.0142 -17.6957 -17.6932 -17.6145 -17.6131 -17.2647 -17.2627 -17.2584 -17.2546 -17.2453 -17.2415 -17.2370 -17.2339 -7.9869 -7.9863 -7.4224 -7.4213 -6.6642 -6.6602 -6.0983 -6.0964 -5.2210 -5.2129 -5.1651 -5.1578 -4.9557 -4.9514 -4.8895 -4.8865 -2.5756 -2.5744 -2.4966 -2.4928 -2.4483 -2.4449 -2.3106 -2.3081 -1.9627 -1.9593 -1.8012 -1.7963 -1.5655 -1.5558 -1.5162 -1.5106 -1.4537 -1.4517 -1.4367 -1.4338 -0.3216 -0.3148 -0.2261 -0.2226 -0.1087 -0.1034 0.0035 0.0088 0.1373 0.1426 0.6313 0.6336 8.6970 8.6973 9.2602 9.2605 9.5257 9.5259 10.5884 10.5903 10.6964 10.7012 10.8770 10.8837 k = 0.0000 0.2875 0.9394 ( 6818 PWs) bands (ev): -20.0581 -20.0579 -20.0148 -20.0146 -17.6951 -17.6923 -17.6197 -17.6180 -17.2646 -17.2623 -17.2589 -17.2547 -17.2458 -17.2419 -17.2371 -17.2339 -7.9635 -7.9628 -7.4331 -7.4320 -6.6528 -6.6485 -6.1236 -6.1217 -5.2163 -5.2082 -5.1574 -5.1503 -4.9598 -4.9557 -4.8853 -4.8825 -2.5757 -2.5744 -2.5084 -2.5043 -2.4499 -2.4461 -2.3206 -2.3180 -1.9605 -1.9572 -1.7803 -1.7748 -1.5591 -1.5488 -1.5150 -1.5092 -1.4531 -1.4509 -1.4383 -1.4352 -0.3279 -0.3205 -0.2342 -0.2299 -0.0990 -0.0937 -0.0175 -0.0113 0.1400 0.1454 0.6204 0.6226 8.7227 8.7230 9.3005 9.3009 9.5290 9.5292 10.5596 10.5618 10.7048 10.7111 10.8995 10.9066 k = 0.0000 0.3136 0.9394 ( 6813 PWs) bands (ev): -20.0552 -20.0550 -20.0153 -20.0151 -17.6942 -17.6913 -17.6251 -17.6233 -17.2646 -17.2619 -17.2595 -17.2548 -17.2463 -17.2424 -17.2372 -17.2340 -7.9383 -7.9376 -7.4463 -7.4452 -6.6389 -6.6344 -6.1506 -6.1485 -5.2114 -5.2034 -5.1497 -5.1429 -4.9641 -4.9603 -4.8812 -4.8784 -2.5766 -2.5753 -2.5183 -2.5141 -2.4514 -2.4473 -2.3306 -2.3279 -1.9584 -1.9551 -1.7609 -1.7548 -1.5524 -1.5420 -1.5129 -1.5075 -1.4526 -1.4502 -1.4400 -1.4367 -0.3340 -0.3260 -0.2418 -0.2365 -0.0908 -0.0845 -0.0377 -0.0297 0.1415 0.1470 0.6097 0.6120 8.7502 8.7505 9.3436 9.3440 9.5326 9.5328 10.5151 10.5174 10.7154 10.7228 10.9213 10.9283 k = 0.0000 0.3398 0.9394 ( 6813 PWs) bands (ev): -20.0522 -20.0520 -20.0159 -20.0157 -17.6931 -17.6900 -17.6307 -17.6288 -17.2645 -17.2615 -17.2600 -17.2549 -17.2468 -17.2428 -17.2373 -17.2341 -7.9115 -7.9107 -7.4622 -7.4610 -6.6223 -6.6176 -6.1790 -6.1768 -5.2065 -5.1987 -5.1418 -5.1354 -4.9687 -4.9651 -4.8771 -4.8744 -2.5789 -2.5776 -2.5258 -2.5216 -2.4528 -2.4485 -2.3405 -2.3376 -1.9565 -1.9533 -1.7436 -1.7369 -1.5456 -1.5356 -1.5097 -1.5052 -1.4522 -1.4495 -1.4417 -1.4383 -0.3394 -0.3309 -0.2489 -0.2425 -0.0897 -0.0807 -0.0512 -0.0405 0.1415 0.1470 0.5998 0.6021 8.7790 8.7793 9.3889 9.3893 9.5367 9.5369 10.4556 10.4578 10.7274 10.7355 10.9408 10.9474 k = 0.0000 0.3659 0.9394 ( 6815 PWs) bands (ev): -20.0491 -20.0489 -20.0167 -20.0165 -17.6917 -17.6884 -17.6365 -17.6345 -17.2645 -17.2611 -17.2604 -17.2549 -17.2473 -17.2433 -17.2373 -17.2341 -7.8832 -7.8823 -7.4807 -7.4796 -6.6031 -6.5983 -6.2087 -6.2063 -5.2020 -5.1942 -5.1338 -5.1277 -4.9735 -4.9701 -4.8731 -4.8704 -2.5826 -2.5815 -2.5307 -2.5266 -2.4541 -2.4496 -2.3499 -2.3470 -1.9548 -1.9517 -1.7290 -1.7216 -1.5391 -1.5298 -1.5049 -1.5019 -1.4520 -1.4490 -1.4434 -1.4398 -0.3438 -0.3350 -0.2556 -0.2484 -0.1007 -0.0917 -0.0477 -0.0380 0.1395 0.1450 0.5908 0.5930 8.8088 8.8092 9.4354 9.4359 9.5420 9.5422 10.3835 10.3855 10.7398 10.7484 10.9568 10.9628 k = 0.0000 0.3920 0.9394 ( 6818 PWs) bands (ev): -20.0460 -20.0458 -20.0177 -20.0175 -17.6900 -17.6865 -17.6425 -17.6403 -17.2645 -17.2611 -17.2604 -17.2550 -17.2477 -17.2437 -17.2372 -17.2342 -7.8536 -7.8527 -7.5020 -7.5009 -6.5812 -6.5763 -6.2394 -6.2370 -5.1980 -5.1904 -5.1255 -5.1199 -4.9784 -4.9753 -4.8694 -4.8666 -2.5875 -2.5867 -2.5331 -2.5292 -2.4553 -2.4508 -2.3588 -2.3558 -1.9533 -1.9504 -1.7176 -1.7093 -1.5336 -1.5245 -1.4989 -1.4964 -1.4523 -1.4485 -1.4451 -1.4411 -0.3470 -0.3378 -0.2622 -0.2542 -0.1173 -0.1089 -0.0357 -0.0275 0.1354 0.1408 0.5830 0.5851 8.8392 8.8396 9.4803 9.4809 9.5510 9.5512 10.3022 10.3041 10.7522 10.7611 10.9689 10.9745 k = 0.0000 0.4182 0.9394 ( 6816 PWs) bands (ev): -20.0429 -20.0427 -20.0189 -20.0186 -17.6879 -17.6843 -17.6484 -17.6461 -17.2644 -17.2615 -17.2600 -17.2549 -17.2480 -17.2441 -17.2371 -17.2341 -7.8228 -7.8218 -7.5259 -7.5249 -6.5568 -6.5518 -6.2711 -6.2685 -5.1949 -5.1872 -5.1170 -5.1118 -4.9835 -4.9805 -4.8659 -4.8631 -2.5930 -2.5924 -2.5336 -2.5300 -2.4564 -2.4521 -2.3668 -2.3638 -1.9520 -1.9493 -1.7095 -1.7004 -1.5297 -1.5201 -1.4919 -1.4886 -1.4530 -1.4479 -1.4469 -1.4419 -0.3488 -0.3393 -0.2687 -0.2602 -0.1340 -0.1255 -0.0212 -0.0139 0.1290 0.1343 0.5766 0.5786 8.8696 8.8699 9.5140 9.5146 9.5730 9.5732 10.2153 10.2170 10.7641 10.7732 10.9775 10.9835 k = 0.0000 0.4443 0.9394 ( 6817 PWs) bands (ev): -20.0398 -20.0396 -20.0202 -20.0200 -17.6855 -17.6817 -17.6543 -17.6519 -17.2644 -17.2620 -17.2595 -17.2549 -17.2484 -17.2444 -17.2369 -17.2341 -7.7911 -7.7900 -7.5524 -7.5514 -6.5301 -6.5250 -6.3036 -6.3009 -5.1927 -5.1851 -5.1082 -5.1034 -4.9886 -4.9858 -4.8629 -4.8600 -2.5984 -2.5979 -2.5328 -2.5294 -2.4578 -2.4537 -2.3738 -2.3706 -1.9510 -1.9485 -1.7047 -1.6948 -1.5270 -1.5167 -1.4835 -1.4799 -1.4543 -1.4492 -1.4464 -1.4422 -0.3493 -0.3396 -0.2746 -0.2662 -0.1485 -0.1399 -0.0055 0.0013 0.1203 0.1254 0.5718 0.5736 8.8991 8.8994 9.5288 9.5292 9.6152 9.6155 10.1260 10.1276 10.7750 10.7842 10.9835 10.9906 k = 0.0000 0.4704 0.9394 ( 6803 PWs) bands (ev): -20.0368 -20.0366 -20.0218 -20.0215 -17.6828 -17.6788 -17.6600 -17.6575 -17.2644 -17.2624 -17.2590 -17.2548 -17.2486 -17.2447 -17.2367 -17.2340 -7.7585 -7.7574 -7.5814 -7.5805 -6.5013 -6.4961 -6.3364 -6.3336 -5.1917 -5.1841 -5.0992 -5.0947 -4.9937 -4.9912 -4.8602 -4.8572 -2.6033 -2.6028 -2.5313 -2.5281 -2.4595 -2.4558 -2.3792 -2.3760 -1.9504 -1.9480 -1.7031 -1.6923 -1.5251 -1.5144 -1.4748 -1.4715 -1.4559 -1.4513 -1.4442 -1.4419 -0.3488 -0.3391 -0.2792 -0.2715 -0.1600 -0.1515 0.0109 0.0175 0.1094 0.1143 0.5685 0.5701 8.9265 8.9269 9.5346 9.5349 9.6671 9.6674 10.0374 10.0388 10.7845 10.7939 10.9870 10.9955 k = 0.0000 0.4966 0.9394 ( 6796 PWs) bands (ev): -20.0342 -20.0340 -20.0233 -20.0231 -17.6801 -17.6758 -17.6650 -17.6625 -17.2644 -17.2628 -17.2584 -17.2548 -17.2488 -17.2450 -17.2365 -17.2338 -7.7255 -7.7243 -7.6127 -7.6118 -6.4711 -6.4656 -6.3691 -6.3664 -5.1919 -5.1842 -5.0900 -5.0859 -4.9988 -4.9965 -4.8581 -4.8550 -2.6072 -2.6067 -2.5291 -2.5261 -2.4620 -2.4586 -2.3827 -2.3795 -1.9501 -1.9481 -1.7042 -1.6928 -1.5236 -1.5129 -1.4681 -1.4643 -1.4576 -1.4531 -1.4409 -1.4404 -0.3480 -0.3385 -0.2811 -0.2748 -0.1684 -0.1602 0.0280 0.0345 0.0965 0.1011 0.5668 0.5682 8.9504 8.9507 9.5372 9.5375 9.7215 9.7219 9.9531 9.9543 10.7925 10.8019 10.9876 10.9972 k = 0.0000 0.5227 0.9394 ( 6805 PWs) bands (ev): -20.0323 -20.0321 -20.0245 -20.0242 -17.6787 -17.6744 -17.6679 -17.6656 -17.2643 -17.2631 -17.2579 -17.2547 -17.2489 -17.2452 -17.2362 -17.2336 -7.6923 -7.6909 -7.6461 -7.6452 -6.4420 -6.4358 -6.3987 -6.3971 -5.1933 -5.1856 -5.0809 -5.0770 -5.0039 -5.0017 -4.8565 -4.8534 -2.6098 -2.6093 -2.5265 -2.5238 -2.4655 -2.4624 -2.3840 -2.3807 -1.9504 -1.9486 -1.7076 -1.6957 -1.5226 -1.5118 -1.4653 -1.4602 -1.4588 -1.4530 -1.4381 -1.4356 -0.3477 -0.3384 -0.2789 -0.2745 -0.1740 -0.1662 0.0451 0.0521 0.0823 0.0861 0.5665 0.5677 8.9683 8.9686 9.5382 9.5385 9.7717 9.7724 9.8812 9.8819 10.7986 10.8079 10.9841 10.9932 k = 0.0000 0.5489 0.9394 ( 6809 PWs) bands (ev): -20.0323 -20.0321 -20.0243 -20.0240 -17.6808 -17.6770 -17.6664 -17.6638 -17.2643 -17.2635 -17.2574 -17.2547 -17.2489 -17.2453 -17.2358 -17.2333 -7.6819 -7.6809 -7.6586 -7.6573 -6.4443 -6.4387 -6.3962 -6.3927 -5.1960 -5.1882 -5.0721 -5.0683 -5.0087 -5.0067 -4.8556 -4.8524 -2.6111 -2.6105 -2.5237 -2.5212 -2.4700 -2.4668 -2.3829 -2.3796 -1.9513 -1.9498 -1.7129 -1.7007 -1.5217 -1.5112 -1.4662 -1.4619 -1.4572 -1.4512 -1.4340 -1.4303 -0.3481 -0.3388 -0.2722 -0.2694 -0.1772 -0.1698 0.0563 0.0654 0.0724 0.0747 0.5676 0.5686 8.9774 8.9775 9.5380 9.5382 9.7754 9.7765 9.8668 9.8669 10.8027 10.8119 10.9763 10.9831 k = 0.0000 0.5489 0.9394 ( 6809 PWs) bands (ev): -20.0323 -20.0321 -20.0243 -20.0240 -17.6808 -17.6770 -17.6664 -17.6638 -17.2643 -17.2635 -17.2574 -17.2547 -17.2489 -17.2453 -17.2358 -17.2333 -7.6819 -7.6809 -7.6586 -7.6573 -6.4443 -6.4387 -6.3962 -6.3927 -5.1960 -5.1882 -5.0721 -5.0683 -5.0087 -5.0067 -4.8556 -4.8524 -2.6111 -2.6105 -2.5237 -2.5212 -2.4700 -2.4668 -2.3829 -2.3796 -1.9513 -1.9498 -1.7129 -1.7007 -1.5217 -1.5112 -1.4662 -1.4619 -1.4572 -1.4512 -1.4340 -1.4303 -0.3481 -0.3388 -0.2722 -0.2694 -0.1772 -0.1698 0.0563 0.0654 0.0724 0.0747 0.5676 0.5686 8.9774 8.9775 9.5380 9.5382 9.7754 9.7765 9.8668 9.8669 10.8027 10.8119 10.9763 10.9831 k = 0.0000 0.5617 0.9173 ( 6805 PWs) bands (ev): -20.0352 -20.0350 -20.0216 -20.0213 -17.6853 -17.6820 -17.6618 -17.6588 -17.2647 -17.2640 -17.2571 -17.2547 -17.2485 -17.2449 -17.2353 -17.2327 -7.7126 -7.7123 -7.6347 -7.6329 -6.4551 -6.4515 -6.3803 -6.3754 -5.1982 -5.1902 -5.0631 -5.0590 -5.0160 -5.0135 -4.8554 -4.8520 -2.6112 -2.6107 -2.5177 -2.5154 -2.4749 -2.4717 -2.3802 -2.3770 -1.9548 -1.9533 -1.7244 -1.7119 -1.5171 -1.5071 -1.4671 -1.4625 -1.4584 -1.4518 -1.4291 -1.4260 -0.3523 -0.3429 -0.2522 -0.2501 -0.1813 -0.1747 0.0497 0.0527 0.0808 0.0853 0.5707 0.5714 8.9811 8.9811 9.5345 9.5347 9.7118 9.7129 9.9281 9.9283 10.8044 10.8134 10.9510 10.9551 k = 0.0000 0.5745 0.8952 ( 6807 PWs) bands (ev): -20.0382 -20.0380 -20.0192 -20.0189 -17.6896 -17.6867 -17.6566 -17.6535 -17.2652 -17.2645 -17.2567 -17.2546 -17.2479 -17.2444 -17.2347 -17.2321 -7.7485 -7.7482 -7.6079 -7.6060 -6.4792 -6.4762 -6.3496 -6.3446 -5.2009 -5.1927 -5.0548 -5.0502 -5.0234 -5.0201 -4.8558 -4.8523 -2.6104 -2.6099 -2.5118 -2.5098 -2.4788 -2.4757 -2.3761 -2.3730 -1.9588 -1.9573 -1.7369 -1.7241 -1.5136 -1.5046 -1.4698 -1.4649 -1.4589 -1.4524 -1.4246 -1.4220 -0.3535 -0.3440 -0.2297 -0.2288 -0.1839 -0.1787 0.0346 0.0364 0.0945 0.1004 0.5756 0.5761 8.9762 8.9764 9.5298 9.5300 9.6495 9.6504 9.9979 9.9983 10.8039 10.8127 10.9215 10.9241 k = 0.0000 0.5874 0.8730 ( 6803 PWs) bands (ev): -20.0414 -20.0412 -20.0170 -20.0167 -17.6935 -17.6908 -17.6511 -17.6480 -17.2657 -17.2650 -17.2564 -17.2545 -17.2473 -17.2439 -17.2340 -17.2314 -7.7843 -7.7839 -7.5833 -7.5813 -6.5037 -6.5009 -6.3170 -6.3121 -5.2040 -5.1956 -5.0483 -5.0425 -5.0302 -5.0253 -4.8567 -4.8530 -2.6089 -2.6084 -2.5061 -2.5045 -2.4816 -2.4788 -2.3706 -2.3677 -1.9631 -1.9616 -1.7504 -1.7375 -1.5111 -1.5034 -1.4739 -1.4690 -1.4590 -1.4536 -1.4205 -1.4185 -0.3516 -0.3420 -0.2096 -0.2064 -0.1814 -0.1806 0.0194 0.0206 0.1068 0.1134 0.5824 0.5828 8.9651 8.9654 9.5238 9.5240 9.5888 9.5897 10.0736 10.0741 10.8012 10.8095 10.8905 10.8920 k = 0.0000 0.6002 0.8509 ( 6808 PWs) bands (ev): -20.0445 -20.0444 -20.0152 -20.0149 -17.6970 -17.6944 -17.6455 -17.6425 -17.2661 -17.2655 -17.2561 -17.2543 -17.2466 -17.2433 -17.2333 -17.2306 -7.8194 -7.8190 -7.5613 -7.5593 -6.5265 -6.5238 -6.2846 -6.2797 -5.2072 -5.1987 -5.0473 -5.0415 -5.0310 -5.0253 -4.8581 -4.8542 -2.6068 -2.6064 -2.5008 -2.4996 -2.4830 -2.4808 -2.3638 -2.3611 -1.9677 -1.9663 -1.7651 -1.7520 -1.5094 -1.5031 -1.4787 -1.4739 -1.4595 -1.4556 -1.4168 -1.4154 -0.3467 -0.3369 -0.2022 -0.1936 -0.1698 -0.1645 0.0049 0.0056 0.1168 0.1239 0.5911 0.5915 8.9497 8.9501 9.5148 9.5149 9.5319 9.5328 10.1524 10.1531 10.7949 10.8028 10.8599 10.8614 k = 0.0000 0.6130 0.8287 ( 6808 PWs) bands (ev): -20.0477 -20.0476 -20.0135 -20.0133 -17.7001 -17.6976 -17.6398 -17.6370 -17.2666 -17.2660 -17.2557 -17.2541 -17.2459 -17.2427 -17.2325 -17.2298 -7.8535 -7.8531 -7.5421 -7.5400 -6.5470 -6.5444 -6.2528 -6.2481 -5.2106 -5.2020 -5.0525 -5.0483 -5.0245 -5.0196 -4.8599 -4.8559 -2.6044 -2.6041 -2.4967 -2.4946 -2.4827 -2.4815 -2.3558 -2.3533 -1.9726 -1.9713 -1.7808 -1.7677 -1.5082 -1.5035 -1.4839 -1.4793 -1.4611 -1.4589 -1.4134 -1.4124 -0.3389 -0.3290 -0.2025 -0.1941 -0.1443 -0.1382 -0.0089 -0.0079 0.1243 0.1318 0.6017 0.6022 8.9315 8.9319 9.4704 9.4710 9.5118 9.5121 10.2319 10.2328 10.7817 10.7888 10.8335 10.8372 k = 0.0000 0.6259 0.8066 ( 6809 PWs) bands (ev): -20.0509 -20.0508 -20.0121 -20.0119 -17.7027 -17.7003 -17.6342 -17.6316 -17.2671 -17.2665 -17.2553 -17.2539 -17.2451 -17.2421 -17.2316 -17.2290 -7.8865 -7.8860 -7.5257 -7.5236 -6.5651 -6.5624 -6.2220 -6.2174 -5.2139 -5.2052 -5.0600 -5.0563 -5.0169 -5.0122 -4.8622 -4.8580 -2.6021 -2.6017 -2.4935 -2.4897 -2.4810 -2.4806 -2.3468 -2.3445 -1.9779 -1.9766 -1.7975 -1.7844 -1.5075 -1.5044 -1.4893 -1.4849 -1.4640 -1.4635 -1.4103 -1.4096 -0.3284 -0.3185 -0.2042 -0.1964 -0.1171 -0.1100 -0.0213 -0.0190 0.1292 0.1369 0.6141 0.6148 8.9115 8.9119 9.4159 9.4165 9.5035 9.5037 10.3097 10.3108 10.7583 10.7643 10.8165 10.8222 k = 0.0000 0.6387 0.7844 ( 6807 PWs) bands (ev): -20.0541 -20.0540 -20.0110 -20.0107 -17.7049 -17.7027 -17.6287 -17.6262 -17.2675 -17.2669 -17.2550 -17.2537 -17.2443 -17.2414 -17.2307 -17.2281 -7.9181 -7.9176 -7.5121 -7.5100 -6.5805 -6.5779 -6.1924 -6.1880 -5.2171 -5.2084 -5.0683 -5.0647 -5.0093 -5.0046 -4.8648 -4.8604 -2.5999 -2.5994 -2.4905 -2.4850 -2.4790 -2.4774 -2.3367 -2.3346 -1.9833 -1.9822 -1.8151 -1.8022 -1.5071 -1.5058 -1.4945 -1.4905 -1.4695 -1.4677 -1.4074 -1.4068 -0.3155 -0.3055 -0.2061 -0.1988 -0.0934 -0.0838 -0.0298 -0.0247 0.1315 0.1395 0.6281 0.6289 8.8907 8.8911 9.3634 9.3639 9.4952 9.4954 10.3832 10.3845 10.7283 10.7336 10.8065 10.8127 k = 0.0000 0.6515 0.7623 ( 6812 PWs) bands (ev): -20.0572 -20.0571 -20.0100 -20.0098 -17.7068 -17.7047 -17.6233 -17.6210 -17.2679 -17.2674 -17.2546 -17.2534 -17.2434 -17.2408 -17.2298 -17.2272 -7.9482 -7.9477 -7.5012 -7.4991 -6.5933 -6.5908 -6.1641 -6.1599 -5.2201 -5.2114 -5.0770 -5.0732 -5.0019 -4.9970 -4.8677 -4.8632 -2.5980 -2.5975 -2.4869 -2.4807 -2.4755 -2.4736 -2.3257 -2.3238 -1.9891 -1.9881 -1.8334 -1.8207 -1.5079 -1.5068 -1.4996 -1.4958 -1.4764 -1.4725 -1.4047 -1.4040 -0.3004 -0.2905 -0.2078 -0.2009 -0.0810 -0.0702 -0.0246 -0.0181 0.1313 0.1394 0.6434 0.6442 8.8698 8.8702 9.3134 9.3139 9.4868 9.4870 10.4494 10.4509 10.6972 10.7021 10.7989 10.8050 k = 0.0000 0.6644 0.7402 ( 6814 PWs) bands (ev): -20.0601 -20.0600 -20.0092 -20.0090 -17.7084 -17.7064 -17.6182 -17.6160 -17.2683 -17.2678 -17.2543 -17.2532 -17.2426 -17.2401 -17.2288 -17.2264 -7.9766 -7.9761 -7.4928 -7.4908 -6.6036 -6.6011 -6.1374 -6.1333 -5.2228 -5.2141 -5.0858 -5.0819 -4.9946 -4.9896 -4.8709 -4.8663 -2.5966 -2.5960 -2.4824 -2.4767 -2.4706 -2.4694 -2.3139 -2.3122 -1.9952 -1.9943 -1.8523 -1.8399 -1.5106 -1.5073 -1.5040 -1.5007 -1.4841 -1.4777 -1.4021 -1.4014 -0.2836 -0.2737 -0.2092 -0.2026 -0.0823 -0.0739 -0.0018 0.0025 0.1287 0.1369 0.6595 0.6603 8.8491 8.8495 9.2662 9.2666 9.4784 9.4786 10.5040 10.5057 10.6691 10.6737 10.7919 10.7978 k = 0.0000 0.6772 0.7180 ( 6808 PWs) bands (ev): -20.0630 -20.0629 -20.0086 -20.0083 -17.7097 -17.7079 -17.6132 -17.6112 -17.2687 -17.2682 -17.2539 -17.2529 -17.2417 -17.2394 -17.2278 -17.2255 -8.0032 -8.0028 -7.4867 -7.4848 -6.6116 -6.6092 -6.1122 -6.1084 -5.2250 -5.2164 -5.0947 -5.0907 -4.9876 -4.9825 -4.8744 -4.8696 -2.5957 -2.5950 -2.4774 -2.4731 -2.4649 -2.4641 -2.3014 -2.2998 -2.0015 -2.0008 -1.8715 -1.8595 -1.5145 -1.5104 -1.5059 -1.5048 -1.4922 -1.4828 -1.3997 -1.3989 -0.2653 -0.2555 -0.2101 -0.2040 -0.0895 -0.0828 0.0264 0.0291 0.1240 0.1323 0.6762 0.6770 8.8291 8.8295 9.2219 9.2223 9.4702 9.4703 10.5395 10.5410 10.6512 10.6553 10.7851 10.7907 k = 0.0000 0.6901 0.6959 ( 6806 PWs) bands (ev): -20.0657 -20.0656 -20.0081 -20.0079 -17.7108 -17.7090 -17.6086 -17.6068 -17.2690 -17.2685 -17.2536 -17.2526 -17.2409 -17.2388 -17.2268 -17.2246 -8.0279 -8.0275 -7.4826 -7.4808 -6.6174 -6.6152 -6.0888 -6.0852 -5.2267 -5.2183 -5.1036 -5.0995 -4.9807 -4.9755 -4.8781 -4.8732 -2.5952 -2.5945 -2.4725 -2.4699 -2.4593 -2.4566 -2.2883 -2.2869 -2.0083 -2.0076 -1.8908 -1.8793 -1.5198 -1.5152 -1.5086 -1.5059 -1.5001 -1.4875 -1.3973 -1.3966 -0.2460 -0.2365 -0.2103 -0.2049 -0.0982 -0.0926 0.0550 0.0569 0.1175 0.1257 0.6929 0.6937 8.8102 8.8105 9.1808 9.1812 9.4622 9.4623 10.5459 10.5467 10.6534 10.6566 10.7783 10.7837 k = 0.0000 0.7029 0.6737 ( 6806 PWs) bands (ev): -20.0682 -20.0681 -20.0077 -20.0075 -17.7116 -17.7100 -17.6043 -17.6026 -17.2693 -17.2689 -17.2532 -17.2524 -17.2401 -17.2382 -17.2259 -17.2238 -8.0506 -8.0502 -7.4803 -7.4786 -6.6214 -6.6194 -6.0673 -6.0639 -5.2278 -5.2196 -5.1125 -5.1083 -4.9742 -4.9688 -4.8820 -4.8770 -2.5950 -2.5944 -2.4683 -2.4671 -2.4522 -2.4482 -2.2748 -2.2736 -2.0154 -2.0148 -1.9100 -1.8991 -1.5260 -1.5208 -1.5117 -1.5077 -1.5054 -1.4914 -1.3952 -1.3945 -0.2266 -0.2193 -0.2074 -0.2047 -0.1072 -0.1021 0.0821 0.0839 0.1096 0.1174 0.7093 0.7100 8.7925 8.7928 9.1431 9.1434 9.4546 9.4547 10.5297 10.5308 10.6685 10.6713 10.7716 10.7766 k = 0.0000 0.7157 0.6516 ( 6807 PWs) bands (ev): -20.0705 -20.0705 -20.0074 -20.0072 -17.7122 -17.7108 -17.6003 -17.5988 -17.2696 -17.2692 -17.2529 -17.2522 -17.2393 -17.2376 -17.2249 -17.2230 -8.0712 -8.0708 -7.4793 -7.4778 -6.6240 -6.6221 -6.0477 -6.0446 -5.2283 -5.2203 -5.1213 -5.1170 -4.9678 -4.9624 -4.8861 -4.8810 -2.5952 -2.5946 -2.4651 -2.4647 -2.4438 -2.4390 -2.2610 -2.2599 -2.0228 -2.0224 -1.9287 -1.9184 -1.5328 -1.5274 -1.5146 -1.5128 -1.5057 -1.4944 -1.3932 -1.3925 -0.2147 -0.2114 -0.1988 -0.1919 -0.1157 -0.1109 0.0960 0.1057 0.1096 0.1132 0.7250 0.7257 8.7762 8.7765 9.1089 9.1091 9.4475 9.4476 10.5065 10.5078 10.6831 10.6859 10.7650 10.7698 k = 0.0000 0.7286 0.6294 ( 6806 PWs) bands (ev): -20.0726 -20.0726 -20.0071 -20.0070 -17.7127 -17.7115 -17.5968 -17.5955 -17.2698 -17.2695 -17.2526 -17.2520 -17.2386 -17.2371 -17.2240 -17.2223 -8.0896 -8.0892 -7.4794 -7.4780 -6.6253 -6.6236 -6.0301 -6.0273 -5.2281 -5.2204 -5.1298 -5.1255 -4.9616 -4.9561 -4.8904 -4.8851 -2.5955 -2.5950 -2.4626 -2.4626 -2.4346 -2.4296 -2.2472 -2.2461 -2.0307 -2.0304 -1.9465 -1.9371 -1.5398 -1.5348 -1.5174 -1.5165 -1.5057 -1.4967 -1.3914 -1.3908 -0.2134 -0.2089 -0.1807 -0.1718 -0.1234 -0.1187 0.0861 0.0951 0.1333 0.1344 0.7398 0.7404 8.7616 8.7618 9.0783 9.0785 9.4409 9.4410 10.4827 10.4840 10.6933 10.6961 10.7586 10.7632 k = 0.0000 0.7414 0.6073 ( 6801 PWs) bands (ev): -20.0744 -20.0744 -20.0070 -20.0069 -17.7131 -17.7120 -17.5936 -17.5925 -17.2700 -17.2697 -17.2524 -17.2518 -17.2379 -17.2366 -17.2232 -17.2217 -8.1056 -8.1054 -7.4802 -7.4790 -6.6257 -6.6243 -6.0147 -6.0122 -5.2272 -5.2199 -5.1380 -5.1337 -4.9557 -4.9501 -4.8947 -4.8894 -2.5960 -2.5955 -2.4608 -2.4606 -2.4251 -2.4201 -2.2334 -2.2325 -2.0388 -2.0386 -1.9633 -1.9547 -1.5464 -1.5422 -1.5200 -1.5191 -1.5057 -1.4985 -1.3898 -1.3892 -0.2127 -0.2083 -0.1610 -0.1523 -0.1294 -0.1243 0.0734 0.0823 0.1547 0.1554 0.7532 0.7537 8.7487 8.7489 9.0515 9.0516 9.4351 9.4352 10.4604 10.4616 10.6992 10.7021 10.7527 10.7569 k = 0.0000 0.7542 0.5852 ( 6799 PWs) bands (ev): -20.0760 -20.0760 -20.0069 -20.0068 -17.7133 -17.7124 -17.5909 -17.5900 -17.2702 -17.2699 -17.2521 -17.2517 -17.2373 -17.2362 -17.2224 -17.2212 -8.1194 -8.1191 -7.4813 -7.4804 -6.6255 -6.6243 -6.0014 -5.9993 -5.2258 -5.2190 -5.1457 -5.1415 -4.9499 -4.9443 -4.8992 -4.8938 -2.5965 -2.5961 -2.4593 -2.4591 -2.4158 -2.4112 -2.2200 -2.2193 -2.0471 -2.0469 -1.9784 -1.9709 -1.5526 -1.5491 -1.5221 -1.5212 -1.5055 -1.5000 -1.3884 -1.3879 -0.2119 -0.2079 -0.1471 -0.1419 -0.1277 -0.1203 0.0594 0.0682 0.1733 0.1738 0.7650 0.7654 8.7376 8.7378 9.0285 9.0287 9.4300 9.4301 10.4406 10.4416 10.7020 10.7049 10.7473 10.7512 k = 0.0000 0.7671 0.5630 ( 6791 PWs) bands (ev): -20.0774 -20.0773 -20.0068 -20.0067 -17.7135 -17.7127 -17.5886 -17.5879 -17.2703 -17.2701 -17.2519 -17.2515 -17.2368 -17.2359 -17.2217 -17.2207 -8.1306 -8.1305 -7.4827 -7.4819 -6.6250 -6.6240 -5.9905 -5.9888 -5.2238 -5.2177 -5.1527 -5.1487 -4.9443 -4.9387 -4.9038 -4.8983 -2.5969 -2.5966 -2.4582 -2.4579 -2.4072 -2.4031 -2.2075 -2.2068 -2.0554 -2.0552 -1.9916 -1.9853 -1.5579 -1.5552 -1.5237 -1.5229 -1.5053 -1.5011 -1.3872 -1.3869 -0.2109 -0.2075 -0.1471 -0.1443 -0.1116 -0.1029 0.0443 0.0531 0.1889 0.1892 0.7750 0.7753 8.7284 8.7286 9.0097 9.0098 9.4257 9.4258 10.4238 10.4247 10.7030 10.7055 10.7427 10.7461 k = 0.0000 0.7799 0.5409 ( 6787 PWs) bands (ev): -20.0784 -20.0784 -20.0067 -20.0067 -17.7136 -17.7130 -17.5868 -17.5863 -17.2704 -17.2703 -17.2518 -17.2515 -17.2364 -17.2357 -17.2212 -17.2204 -8.1395 -8.1393 -7.4839 -7.4833 -6.6243 -6.6236 -5.9818 -5.9805 -5.2214 -5.2162 -5.1587 -5.1552 -4.9389 -4.9332 -4.9084 -4.9029 -2.5973 -2.5971 -2.4573 -2.4571 -2.3996 -2.3963 -2.1962 -2.1956 -2.0631 -2.0629 -2.0022 -1.9973 -1.5621 -1.5602 -1.5249 -1.5243 -1.5051 -1.5020 -1.3863 -1.3860 -0.2099 -0.2072 -0.1504 -0.1483 -0.0917 -0.0829 0.0284 0.0371 0.2012 0.2015 0.7830 0.7832 8.7212 8.7213 8.9949 8.9950 9.4223 9.4224 10.4105 10.4111 10.7029 10.7051 10.7390 10.7417 k = 0.0000 0.7927 0.5187 ( 6787 PWs) bands (ev): -20.0791 -20.0791 -20.0067 -20.0067 -17.7136 -17.7132 -17.5855 -17.5851 -17.2705 -17.2704 -17.2516 -17.2514 -17.2360 -17.2356 -17.2207 -17.2202 -8.1458 -8.1457 -7.4849 -7.4845 -6.6237 -6.6232 -5.9756 -5.9747 -5.2189 -5.2151 -5.1633 -5.1605 -4.9336 -4.9280 -4.9131 -4.9075 -2.5976 -2.5975 -2.4566 -2.4565 -2.3937 -2.3913 -2.1869 -2.1865 -2.0698 -2.0696 -2.0099 -2.0065 -1.5652 -1.5639 -1.5257 -1.5252 -1.5048 -1.5028 -1.3856 -1.3854 -0.2089 -0.2069 -0.1532 -0.1517 -0.0719 -0.0635 0.0122 0.0205 0.2101 0.2103 0.7888 0.7890 8.7161 8.7161 8.9843 8.9843 9.4199 9.4199 10.4008 10.4013 10.7026 10.7041 10.7364 10.7383 k = 0.0000 0.8056 0.4966 ( 6790 PWs) bands (ev): -20.0796 -20.0796 -20.0067 -20.0067 -17.7136 -17.7134 -17.5847 -17.5845 -17.2705 -17.2705 -17.2515 -17.2514 -17.2358 -17.2355 -17.2204 -17.2201 -8.1496 -8.1495 -7.4855 -7.4853 -6.6232 -6.6229 -5.9717 -5.9713 -5.2166 -5.2146 -5.1659 -5.1644 -4.9285 -4.9233 -4.9175 -4.9123 -2.5978 -2.5977 -2.4563 -2.4562 -2.3896 -2.3884 -2.1806 -2.1804 -2.0744 -2.0742 -2.0144 -2.0126 -1.5670 -1.5663 -1.5261 -1.5259 -1.5044 -1.5035 -1.3852 -1.3851 -0.2080 -0.2070 -0.1548 -0.1540 -0.0535 -0.0465 -0.0028 0.0041 0.2156 0.2156 0.7923 0.7924 8.7129 8.7130 8.9779 8.9779 9.4184 9.4184 10.3950 10.3952 10.7024 10.7032 10.7351 10.7360 k = 0.0000 0.8184 0.4744 ( 6796 PWs) bands (ev): -20.0797 -20.0797 -20.0067 -20.0067 -17.7135 -17.7135 -17.5843 -17.5843 -17.2705 -17.2705 -17.2515 -17.2515 -17.2356 -17.2356 -17.2202 -17.2202 -8.1508 -8.1508 -7.4856 -7.4856 -6.6229 -6.6229 -5.9703 -5.9703 -5.2151 -5.2151 -5.1663 -5.1663 -4.9238 -4.9238 -4.9169 -4.9169 -2.5978 -2.5978 -2.4561 -2.4561 -2.3879 -2.3879 -2.1783 -2.1783 -2.0760 -2.0760 -2.0153 -2.0153 -1.5673 -1.5673 -1.5262 -1.5262 -1.5040 -1.5040 -1.3850 -1.3850 -0.2073 -0.2073 -0.1551 -0.1551 -0.0409 -0.0409 -0.0078 -0.0078 0.2174 0.2174 0.7935 0.7935 8.7119 8.7119 8.9758 8.9758 9.4179 9.4179 10.3931 10.3931 10.7026 10.7026 10.7349 10.7349 k = 0.0000 0.8184 0.4744 ( 6796 PWs) bands (ev): -20.0797 -20.0797 -20.0067 -20.0067 -17.7135 -17.7135 -17.5843 -17.5843 -17.2705 -17.2705 -17.2515 -17.2515 -17.2356 -17.2356 -17.2202 -17.2202 -8.1508 -8.1508 -7.4856 -7.4856 -6.6229 -6.6229 -5.9703 -5.9703 -5.2151 -5.2151 -5.1663 -5.1663 -4.9238 -4.9238 -4.9169 -4.9169 -2.5978 -2.5978 -2.4561 -2.4561 -2.3879 -2.3879 -2.1783 -2.1783 -2.0760 -2.0760 -2.0153 -2.0153 -1.5673 -1.5673 -1.5262 -1.5262 -1.5040 -1.5040 -1.3850 -1.3850 -0.2073 -0.2073 -0.1551 -0.1551 -0.0409 -0.0409 -0.0078 -0.0078 0.2174 0.2174 0.7935 0.7935 8.7119 8.7119 8.9758 8.9758 9.4179 9.4179 10.3931 10.3931 10.7026 10.7026 10.7349 10.7349 k = 0.0263 0.8184 0.4744 ( 6794 PWs) bands (ev): -20.0796 -20.0796 -20.0068 -20.0068 -17.7133 -17.7133 -17.5846 -17.5846 -17.2705 -17.2704 -17.2515 -17.2514 -17.2356 -17.2355 -17.2202 -17.2202 -8.1501 -8.1501 -7.4878 -7.4878 -6.6208 -6.6208 -5.9709 -5.9709 -5.2147 -5.2146 -5.1659 -5.1658 -4.9243 -4.9243 -4.9173 -4.9173 -2.5977 -2.5977 -2.4565 -2.4564 -2.3870 -2.3870 -2.1778 -2.1778 -2.0759 -2.0758 -2.0154 -2.0154 -1.5674 -1.5672 -1.5273 -1.5270 -1.5053 -1.5053 -1.3857 -1.3856 -0.2066 -0.2065 -0.1542 -0.1542 -0.0410 -0.0409 -0.0073 -0.0073 0.2181 0.2181 0.7925 0.7925 8.7126 8.7126 8.9769 8.9769 9.4164 9.4164 10.3874 10.3875 10.7043 10.7045 10.7343 10.7344 k = 0.0526 0.8184 0.4744 ( 6792 PWs) bands (ev): -20.0793 -20.0793 -20.0072 -20.0072 -17.7127 -17.7127 -17.5853 -17.5853 -17.2703 -17.2703 -17.2516 -17.2514 -17.2356 -17.2354 -17.2203 -17.2203 -8.1479 -8.1479 -7.4941 -7.4941 -6.6144 -6.6144 -5.9729 -5.9729 -5.2133 -5.2133 -5.1647 -5.1646 -4.9259 -4.9257 -4.9187 -4.9187 -2.5972 -2.5972 -2.4576 -2.4575 -2.3845 -2.3845 -2.1765 -2.1764 -2.0755 -2.0754 -2.0156 -2.0156 -1.5674 -1.5668 -1.5302 -1.5296 -1.5093 -1.5092 -1.3874 -1.3873 -0.2042 -0.2040 -0.1515 -0.1515 -0.0412 -0.0411 -0.0061 -0.0060 0.2201 0.2202 0.7893 0.7893 8.7146 8.7146 8.9801 8.9801 9.4117 9.4118 10.3709 10.3712 10.7090 10.7095 10.7326 10.7328 k = 0.0789 0.8184 0.4744 ( 6798 PWs) bands (ev): -20.0787 -20.0787 -20.0078 -20.0078 -17.7117 -17.7117 -17.5865 -17.5865 -17.2701 -17.2700 -17.2516 -17.2513 -17.2356 -17.2352 -17.2205 -17.2204 -8.1442 -8.1442 -7.5044 -7.5044 -6.6040 -6.6040 -5.9763 -5.9762 -5.2111 -5.2110 -5.1628 -5.1626 -4.9283 -4.9281 -4.9209 -4.9209 -2.5964 -2.5964 -2.4594 -2.4593 -2.3804 -2.3803 -2.1743 -2.1741 -2.0749 -2.0748 -2.0159 -2.0159 -1.5673 -1.5665 -1.5350 -1.5339 -1.5158 -1.5157 -1.3903 -1.3901 -0.2003 -0.2001 -0.1471 -0.1470 -0.0415 -0.0414 -0.0040 -0.0039 0.2235 0.2237 0.7840 0.7840 8.7180 8.7180 8.9854 8.9855 9.4044 9.4044 10.3453 10.3456 10.7152 10.7159 10.7300 10.7303 k = 0.1053 0.8184 0.4744 ( 6796 PWs) bands (ev): -20.0778 -20.0778 -20.0087 -20.0087 -17.7103 -17.7103 -17.5882 -17.5882 -17.2697 -17.2696 -17.2517 -17.2513 -17.2354 -17.2350 -17.2207 -17.2205 -8.1390 -8.1390 -7.5183 -7.5183 -6.5900 -6.5899 -5.9809 -5.9808 -5.2079 -5.2079 -5.1601 -5.1599 -4.9318 -4.9315 -4.9241 -4.9240 -2.5953 -2.5952 -2.4619 -2.4617 -2.3746 -2.3745 -2.1713 -2.1711 -2.0740 -2.0739 -2.0165 -2.0164 -1.5676 -1.5662 -1.5414 -1.5397 -1.5244 -1.5243 -1.3942 -1.3940 -0.1950 -0.1947 -0.1411 -0.1410 -0.0419 -0.0418 -0.0013 -0.0012 0.2284 0.2287 0.7766 0.7766 8.7227 8.7228 8.9926 8.9926 9.3947 9.3947 10.3123 10.3127 10.7198 10.7207 10.7284 10.7286 k = 0.1316 0.8184 0.4744 ( 6796 PWs) bands (ev): -20.0768 -20.0768 -20.0099 -20.0099 -17.7085 -17.7085 -17.5904 -17.5903 -17.2692 -17.2691 -17.2518 -17.2513 -17.2353 -17.2347 -17.2209 -17.2208 -8.1323 -8.1323 -7.5355 -7.5355 -6.5727 -6.5726 -5.9869 -5.9868 -5.2039 -5.2039 -5.1566 -5.1564 -4.9361 -4.9358 -4.9280 -4.9279 -2.5938 -2.5937 -2.4650 -2.4648 -2.3672 -2.3671 -2.1676 -2.1674 -2.0729 -2.0728 -2.0171 -2.0170 -1.5688 -1.5665 -1.5491 -1.5466 -1.5346 -1.5345 -1.3990 -1.3988 -0.1885 -0.1882 -0.1336 -0.1335 -0.0425 -0.0423 0.0020 0.0021 0.2348 0.2351 0.7672 0.7673 8.7288 8.7288 9.0014 9.0014 9.3833 9.3833 10.2736 10.2740 10.7180 10.7187 10.7314 10.7319 k = 0.1579 0.8184 0.4744 ( 6806 PWs) bands (ev): -20.0755 -20.0755 -20.0112 -20.0112 -17.7063 -17.7063 -17.5930 -17.5929 -17.2687 -17.2685 -17.2519 -17.2513 -17.2350 -17.2344 -17.2212 -17.2210 -8.1242 -8.1242 -7.5554 -7.5553 -6.5527 -6.5526 -5.9943 -5.9941 -5.1990 -5.1990 -5.1524 -5.1521 -4.9415 -4.9410 -4.9328 -4.9327 -2.5920 -2.5919 -2.4686 -2.4684 -2.3584 -2.3583 -2.1634 -2.1631 -2.0716 -2.0714 -2.0179 -2.0178 -1.5722 -1.5690 -1.5579 -1.5549 -1.5446 -1.5440 -1.4047 -1.4045 -0.1810 -0.1806 -0.1249 -0.1247 -0.0433 -0.0430 0.0057 0.0058 0.2427 0.2431 0.7558 0.7559 8.7362 8.7362 9.0113 9.0113 9.3710 9.3711 10.2304 10.2308 10.7129 10.7136 10.7354 10.7360 k = 0.1842 0.8184 0.4744 ( 6806 PWs) bands (ev): -20.0740 -20.0740 -20.0128 -20.0128 -17.7038 -17.7037 -17.5959 -17.5959 -17.2680 -17.2678 -17.2520 -17.2514 -17.2347 -17.2340 -17.2216 -17.2213 -8.1146 -8.1146 -7.5775 -7.5775 -6.5303 -6.5302 -6.0030 -6.0028 -5.1933 -5.1933 -5.1476 -5.1472 -4.9476 -4.9471 -4.9383 -4.9382 -2.5898 -2.5897 -2.4727 -2.4725 -2.3481 -2.3480 -2.1588 -2.1586 -2.0700 -2.0698 -2.0188 -2.0187 -1.5791 -1.5758 -1.5692 -1.5670 -1.5503 -1.5488 -1.4111 -1.4109 -0.1727 -0.1722 -0.1151 -0.1148 -0.0442 -0.0438 0.0096 0.0097 0.2522 0.2526 0.7426 0.7427 8.7448 8.7448 9.0217 9.0217 9.3589 9.3590 10.1839 10.1843 10.7069 10.7076 10.7379 10.7386 k = 0.2105 0.8184 0.4744 ( 6804 PWs) bands (ev): -20.0723 -20.0723 -20.0146 -20.0146 -17.7009 -17.7008 -17.5993 -17.5993 -17.2673 -17.2671 -17.2522 -17.2515 -17.2344 -17.2336 -17.2220 -17.2217 -8.1036 -8.1036 -7.6015 -7.6015 -6.5062 -6.5060 -6.0131 -6.0129 -5.1868 -5.1867 -5.1420 -5.1416 -4.9547 -4.9541 -4.9445 -4.9444 -2.5873 -2.5872 -2.4773 -2.4770 -2.3365 -2.3363 -2.1541 -2.1538 -2.0683 -2.0680 -2.0199 -2.0198 -1.5894 -1.5863 -1.5837 -1.5817 -1.5511 -1.5496 -1.4181 -1.4179 -0.1638 -0.1633 -0.1046 -0.1042 -0.0452 -0.0447 0.0135 0.0137 0.2633 0.2638 0.7276 0.7277 8.7547 8.7547 9.0317 9.0317 9.3482 9.3483 10.1348 10.1352 10.7006 10.7012 10.7384 10.7391 k = 0.2368 0.8184 0.4744 ( 6814 PWs) bands (ev): -20.0704 -20.0704 -20.0167 -20.0167 -17.6977 -17.6976 -17.6030 -17.6030 -17.2665 -17.2662 -17.2524 -17.2516 -17.2340 -17.2332 -17.2224 -17.2221 -8.0912 -8.0912 -7.6269 -7.6269 -6.4806 -6.4804 -6.0245 -6.0243 -5.1795 -5.1794 -5.1358 -5.1353 -4.9625 -4.9618 -4.9514 -4.9513 -2.5844 -2.5843 -2.4822 -2.4819 -2.3237 -2.3235 -2.1495 -2.1492 -2.0663 -2.0661 -2.0212 -2.0210 -1.6022 -1.6002 -1.5981 -1.5970 -1.5497 -1.5485 -1.4255 -1.4254 -0.1546 -0.1541 -0.0936 -0.0930 -0.0463 -0.0457 0.0173 0.0175 0.2761 0.2766 0.7109 0.7110 8.7659 8.7659 9.0401 9.0402 9.3404 9.3404 10.0839 10.0843 10.6942 10.6949 10.7368 10.7376 k = 0.2632 0.8184 0.4744 ( 6812 PWs) bands (ev): -20.0683 -20.0683 -20.0189 -20.0188 -17.6941 -17.6941 -17.6071 -17.6070 -17.2657 -17.2654 -17.2526 -17.2519 -17.2336 -17.2327 -17.2229 -17.2225 -8.0775 -8.0774 -7.6534 -7.6534 -6.4540 -6.4538 -6.0374 -6.0371 -5.1714 -5.1714 -5.1291 -5.1285 -4.9711 -4.9703 -4.9589 -4.9587 -2.5812 -2.5811 -2.4873 -2.4870 -2.3098 -2.3096 -2.1452 -2.1449 -2.0642 -2.0639 -2.0225 -2.0224 -1.6175 -1.6169 -1.6112 -1.6112 -1.5474 -1.5463 -1.4333 -1.4332 -0.1453 -0.1447 -0.0826 -0.0816 -0.0474 -0.0465 0.0207 0.0209 0.2906 0.2912 0.6926 0.6927 8.7782 8.7782 9.0457 9.0457 9.3370 9.3371 10.0317 10.0321 10.6882 10.6888 10.7335 10.7342 k = 0.2895 0.8184 0.4744 ( 6810 PWs) bands (ev): -20.0661 -20.0661 -20.0212 -20.0212 -17.6903 -17.6902 -17.6114 -17.6113 -17.2648 -17.2644 -17.2529 -17.2521 -17.2331 -17.2322 -17.2234 -17.2230 -8.0623 -8.0623 -7.6806 -7.6806 -6.4266 -6.4264 -6.0515 -6.0513 -5.1627 -5.1626 -5.1218 -5.1211 -4.9803 -4.9794 -4.9669 -4.9667 -2.5776 -2.5775 -2.4928 -2.4925 -2.2949 -2.2947 -2.1416 -2.1413 -2.0619 -2.0617 -2.0241 -2.0240 -1.6337 -1.6335 -1.6249 -1.6245 -1.5444 -1.5435 -1.4414 -1.4413 -0.1361 -0.1355 -0.0722 -0.0707 -0.0482 -0.0466 0.0235 0.0237 0.3068 0.3073 0.6729 0.6730 8.7917 8.7917 9.0472 9.0472 9.3398 9.3398 9.9788 9.9791 10.6826 10.6833 10.7287 10.7294 k = 0.3158 0.8184 0.4744 ( 6816 PWs) bands (ev): -20.0637 -20.0637 -20.0237 -20.0237 -17.6862 -17.6861 -17.6160 -17.6159 -17.2638 -17.2635 -17.2533 -17.2525 -17.2326 -17.2317 -17.2240 -17.2235 -8.0458 -8.0458 -7.7083 -7.7082 -6.3988 -6.3987 -6.0671 -6.0668 -5.1533 -5.1532 -5.1141 -5.1132 -4.9901 -4.9890 -4.9755 -4.9751 -2.5737 -2.5736 -2.4984 -2.4981 -2.2793 -2.2791 -2.1390 -2.1386 -2.0596 -2.0593 -2.0257 -2.0256 -1.6496 -1.6496 -1.6383 -1.6379 -1.5408 -1.5401 -1.4496 -1.4495 -0.1271 -0.1265 -0.0644 -0.0621 -0.0470 -0.0446 0.0257 0.0259 0.3245 0.3251 0.6518 0.6520 8.8063 8.8063 9.0438 9.0439 9.3494 9.3495 9.9255 9.9258 10.6779 10.6785 10.7227 10.7234 k = 0.3421 0.8184 0.4744 ( 6816 PWs) bands (ev): -20.0611 -20.0611 -20.0264 -20.0264 -17.6818 -17.6818 -17.6207 -17.6207 -17.2629 -17.2625 -17.2537 -17.2529 -17.2321 -17.2312 -17.2245 -17.2241 -8.0281 -8.0280 -7.7361 -7.7361 -6.3709 -6.3707 -6.0839 -6.0837 -5.1434 -5.1432 -5.1060 -5.1050 -5.0003 -4.9991 -4.9844 -4.9839 -2.5696 -2.5694 -2.5041 -2.5038 -2.2631 -2.2630 -2.1376 -2.1373 -2.0571 -2.0568 -2.0276 -2.0275 -1.6644 -1.6644 -1.6513 -1.6509 -1.5368 -1.5362 -1.4578 -1.4578 -0.1186 -0.1180 -0.0613 -0.0591 -0.0406 -0.0384 0.0270 0.0272 0.3438 0.3443 0.6297 0.6299 8.8219 8.8220 9.0357 9.0358 9.3661 9.3662 9.8723 9.8726 10.6741 10.6747 10.7159 10.7166 k = 0.3684 0.8184 0.4744 ( 6816 PWs) bands (ev): -20.0585 -20.0584 -20.0291 -20.0291 -17.6772 -17.6772 -17.6257 -17.6256 -17.2620 -17.2615 -17.2542 -17.2534 -17.2315 -17.2306 -17.2251 -17.2246 -8.0090 -8.0090 -7.7640 -7.7639 -6.3431 -6.3429 -6.1021 -6.1019 -5.1331 -5.1328 -5.0978 -5.0965 -5.0109 -5.0095 -4.9936 -4.9931 -2.5651 -2.5649 -2.5099 -2.5096 -2.2467 -2.2465 -2.1379 -2.1376 -2.0545 -2.0542 -2.0295 -2.0295 -1.6774 -1.6774 -1.6636 -1.6633 -1.5324 -1.5318 -1.4660 -1.4659 -0.1105 -0.1099 -0.0617 -0.0602 -0.0310 -0.0294 0.0273 0.0276 0.3645 0.3650 0.6065 0.6068 8.8385 8.8386 9.0235 9.0236 9.3893 9.3894 9.8195 9.8198 10.6714 10.6720 10.7086 10.7093 k = 0.3947 0.8184 0.4744 ( 6810 PWs) bands (ev): -20.0557 -20.0557 -20.0320 -20.0320 -17.6724 -17.6724 -17.6308 -17.6308 -17.2610 -17.2605 -17.2547 -17.2539 -17.2309 -17.2301 -17.2258 -17.2252 -7.9888 -7.9887 -7.7916 -7.7916 -6.3155 -6.3153 -6.1216 -6.1213 -5.1223 -5.1219 -5.0895 -5.0879 -5.0217 -5.0198 -5.0030 -5.0024 -2.5603 -2.5601 -2.5158 -2.5155 -2.2302 -2.2301 -2.1402 -2.1399 -2.0519 -2.0516 -2.0316 -2.0316 -1.6882 -1.6882 -1.6749 -1.6747 -1.5275 -1.5270 -1.4740 -1.4739 -0.1030 -0.1024 -0.0638 -0.0626 -0.0210 -0.0198 0.0266 0.0269 0.3864 0.3869 0.5826 0.5829 8.8560 8.8561 9.0082 9.0083 9.4181 9.4182 9.7675 9.7677 10.6699 10.6705 10.7013 10.7020 k = 0.4211 0.8184 0.4744 ( 6812 PWs) bands (ev): -20.0528 -20.0528 -20.0349 -20.0349 -17.6675 -17.6674 -17.6360 -17.6360 -17.2601 -17.2596 -17.2553 -17.2545 -17.2303 -17.2295 -17.2264 -17.2258 -7.9674 -7.9674 -7.8188 -7.8188 -6.2884 -6.2881 -6.1422 -6.1420 -5.1114 -5.1108 -5.0819 -5.0797 -5.0320 -5.0296 -5.0126 -5.0118 -2.5553 -2.5551 -2.5217 -2.5214 -2.2141 -2.2140 -2.1446 -2.1444 -2.0492 -2.0489 -2.0338 -2.0338 -1.6963 -1.6962 -1.6849 -1.6846 -1.5222 -1.5217 -1.4819 -1.4817 -0.0961 -0.0954 -0.0667 -0.0657 -0.0115 -0.0105 0.0246 0.0250 0.4094 0.4099 0.5580 0.5584 8.8743 8.8744 8.9908 8.9909 9.4516 9.4517 9.7166 9.7168 10.6697 10.6703 10.6942 10.6949 k = 0.4474 0.8184 0.4744 ( 6818 PWs) bands (ev): -20.0499 -20.0499 -20.0379 -20.0379 -17.6624 -17.6623 -17.6413 -17.6413 -17.2592 -17.2586 -17.2559 -17.2552 -17.2297 -17.2289 -17.2270 -17.2264 -7.9449 -7.9449 -7.8456 -7.8455 -6.2618 -6.2616 -6.1641 -6.1638 -5.1005 -5.0996 -5.0761 -5.0732 -5.0407 -5.0375 -5.0222 -5.0210 -2.5501 -2.5499 -2.5276 -2.5273 -2.1986 -2.1986 -2.1513 -2.1512 -2.0466 -2.0463 -2.0362 -2.0361 -1.7014 -1.7014 -1.6930 -1.6929 -1.5164 -1.5160 -1.4895 -1.4893 -0.0897 -0.0891 -0.0702 -0.0693 -0.0027 -0.0020 0.0215 0.0220 0.4332 0.4337 0.5331 0.5334 8.8933 8.8934 8.9720 8.9721 9.4890 9.4891 9.6670 9.6672 10.6708 10.6715 10.6876 10.6883 k = 0.4737 0.8184 0.4744 ( 6816 PWs) bands (ev): -20.0469 -20.0469 -20.0409 -20.0409 -17.6572 -17.6571 -17.6466 -17.6466 -17.2583 -17.2577 -17.2567 -17.2560 -17.2290 -17.2282 -17.2277 -17.2270 -7.9214 -7.9214 -7.8717 -7.8716 -6.2360 -6.2358 -6.1871 -6.1868 -5.0900 -5.0886 -5.0753 -5.0721 -5.0438 -5.0404 -5.0313 -5.0297 -2.5447 -2.5444 -2.5334 -2.5331 -2.1843 -2.1842 -2.1603 -2.1602 -2.0439 -2.0437 -2.0387 -2.0386 -1.7035 -1.7035 -1.6991 -1.6990 -1.5102 -1.5099 -1.4967 -1.4965 -0.0840 -0.0833 -0.0742 -0.0734 0.0050 0.0057 0.0172 0.0177 0.4577 0.4582 0.5079 0.5083 8.9128 8.9128 8.9524 8.9525 9.5297 9.5298 9.6191 9.6192 10.6733 10.6739 10.6818 10.6825 k = 0.5000 0.8184 0.4744 ( 6812 PWs) bands (ev): -20.0439 -20.0439 -20.0439 -20.0439 -17.6519 -17.6519 -17.6519 -17.6519 -17.2574 -17.2574 -17.2568 -17.2568 -17.2284 -17.2284 -17.2276 -17.2276 -7.8970 -7.8970 -7.8969 -7.8969 -6.2111 -6.2111 -6.2108 -6.2108 -5.0808 -5.0808 -5.0786 -5.0786 -5.0394 -5.0394 -5.0369 -5.0369 -2.5391 -2.5391 -2.5388 -2.5388 -2.1713 -2.1713 -2.1713 -2.1713 -2.0413 -2.0413 -2.0411 -2.0411 -1.7027 -1.7027 -1.7026 -1.7026 -1.5037 -1.5037 -1.5034 -1.5034 -0.0788 -0.0788 -0.0781 -0.0781 0.0117 0.0117 0.0123 0.0123 0.4827 0.4827 0.4831 0.4831 8.9326 8.9326 8.9326 8.9326 9.5732 9.5732 9.5734 9.5734 10.6770 10.6770 10.6776 10.6776 k = 0.5000 0.8184 0.4744 ( 6812 PWs) bands (ev): -20.0439 -20.0439 -20.0439 -20.0439 -17.6519 -17.6519 -17.6519 -17.6519 -17.2574 -17.2574 -17.2568 -17.2568 -17.2284 -17.2284 -17.2276 -17.2276 -7.8970 -7.8970 -7.8969 -7.8969 -6.2111 -6.2111 -6.2108 -6.2108 -5.0808 -5.0808 -5.0786 -5.0786 -5.0394 -5.0394 -5.0369 -5.0369 -2.5391 -2.5391 -2.5388 -2.5388 -2.1713 -2.1713 -2.1713 -2.1713 -2.0413 -2.0413 -2.0411 -2.0411 -1.7027 -1.7027 -1.7026 -1.7026 -1.5037 -1.5037 -1.5034 -1.5034 -0.0788 -0.0788 -0.0781 -0.0781 0.0117 0.0117 0.0123 0.0123 0.4827 0.4827 0.4831 0.4831 8.9326 8.9326 8.9326 8.9326 9.5732 9.5732 9.5734 9.5734 10.6770 10.6770 10.6776 10.6776 k = 0.5000 0.8312 0.4523 ( 6810 PWs) bands (ev): -20.0438 -20.0438 -20.0438 -20.0438 -17.6522 -17.6522 -17.6518 -17.6518 -17.2575 -17.2575 -17.2568 -17.2568 -17.2284 -17.2284 -17.2276 -17.2276 -7.8962 -7.8962 -7.8960 -7.8960 -6.2119 -6.2119 -6.2113 -6.2113 -5.0814 -5.0814 -5.0791 -5.0791 -5.0387 -5.0387 -5.0360 -5.0360 -2.5389 -2.5389 -2.5386 -2.5386 -2.1754 -2.1754 -2.1742 -2.1742 -2.0386 -2.0386 -2.0372 -2.0372 -1.7028 -1.7028 -1.7025 -1.7025 -1.5035 -1.5035 -1.5030 -1.5030 -0.0805 -0.0805 -0.0788 -0.0788 0.0122 0.0122 0.0138 0.0138 0.4814 0.4814 0.4819 0.4819 8.9336 8.9336 8.9338 8.9338 9.5748 9.5748 9.5749 9.5749 10.6767 10.6767 10.6774 10.6774 k = 0.5000 0.8441 0.4302 ( 6808 PWs) bands (ev): -20.0436 -20.0436 -20.0436 -20.0436 -17.6528 -17.6528 -17.6520 -17.6520 -17.2575 -17.2575 -17.2568 -17.2568 -17.2287 -17.2287 -17.2277 -17.2277 -7.8938 -7.8938 -7.8934 -7.8934 -6.2141 -6.2141 -6.2131 -6.2131 -5.0831 -5.0831 -5.0807 -5.0807 -5.0368 -5.0368 -5.0337 -5.0337 -2.5384 -2.5384 -2.5380 -2.5380 -2.1854 -2.1854 -2.1833 -2.1833 -2.0303 -2.0303 -2.0277 -2.0277 -1.7027 -1.7027 -1.7022 -1.7022 -1.5028 -1.5028 -1.5018 -1.5018 -0.0846 -0.0846 -0.0817 -0.0817 0.0144 0.0144 0.0172 0.0172 0.4776 0.4776 0.4782 0.4782 8.9368 8.9368 8.9372 8.9372 9.5795 9.5795 9.5796 9.5796 10.6758 10.6758 10.6766 10.6766 k = 0.5000 0.8569 0.4080 ( 6814 PWs) bands (ev): -20.0432 -20.0432 -20.0432 -20.0432 -17.6536 -17.6536 -17.6524 -17.6524 -17.2575 -17.2575 -17.2568 -17.2568 -17.2290 -17.2290 -17.2279 -17.2279 -7.8897 -7.8897 -7.8891 -7.8891 -6.2176 -6.2176 -6.2162 -6.2162 -5.0855 -5.0855 -5.0830 -5.0830 -5.0338 -5.0338 -5.0302 -5.0302 -2.5376 -2.5376 -2.5370 -2.5370 -2.1993 -2.1993 -2.1966 -2.1966 -2.0180 -2.0180 -2.0148 -2.0148 -1.7026 -1.7026 -1.7017 -1.7017 -1.5014 -1.5014 -1.5000 -1.5000 -0.0905 -0.0905 -0.0867 -0.0867 0.0181 0.0181 0.0220 0.0220 0.4714 0.4714 0.4721 0.4721 8.9421 8.9421 8.9427 8.9427 9.5873 9.5873 9.5874 9.5874 10.6743 10.6743 10.6752 10.6752 k = 0.5000 0.8698 0.3859 ( 6812 PWs) bands (ev): -20.0427 -20.0427 -20.0426 -20.0426 -17.6546 -17.6546 -17.6531 -17.6531 -17.2575 -17.2575 -17.2567 -17.2567 -17.2295 -17.2295 -17.2281 -17.2281 -7.8840 -7.8840 -7.8832 -7.8832 -6.2224 -6.2224 -6.2205 -6.2205 -5.0884 -5.0884 -5.0857 -5.0857 -5.0300 -5.0300 -5.0261 -5.0261 -2.5364 -2.5364 -2.5357 -2.5357 -2.2155 -2.2155 -2.2125 -2.2125 -2.0037 -2.0037 -1.9999 -1.9999 -1.7024 -1.7024 -1.7012 -1.7012 -1.4994 -1.4994 -1.4976 -1.4976 -0.0979 -0.0979 -0.0934 -0.0934 0.0232 0.0232 0.0277 0.0277 0.4628 0.4628 0.4637 0.4637 8.9496 8.9496 8.9503 8.9503 9.5980 9.5980 9.5983 9.5983 10.6718 10.6718 10.6730 10.6730 k = 0.5000 0.8826 0.3637 ( 6810 PWs) bands (ev): -20.0421 -20.0421 -20.0419 -20.0419 -17.6558 -17.6558 -17.6539 -17.6539 -17.2575 -17.2575 -17.2567 -17.2567 -17.2300 -17.2300 -17.2284 -17.2284 -7.8767 -7.8767 -7.8758 -7.8758 -6.2284 -6.2284 -6.2260 -6.2260 -5.0913 -5.0913 -5.0887 -5.0887 -5.0257 -5.0257 -5.0214 -5.0214 -2.5349 -2.5349 -2.5340 -2.5340 -2.2330 -2.2330 -2.2298 -2.2298 -1.9884 -1.9884 -1.9843 -1.9843 -1.7022 -1.7022 -1.7006 -1.7006 -1.4967 -1.4967 -1.4944 -1.4944 -0.1064 -0.1064 -0.1014 -0.1014 0.0291 0.0291 0.0341 0.0341 0.4521 0.4521 0.4532 0.4532 8.9590 8.9590 8.9600 8.9600 9.6118 9.6118 9.6120 9.6120 10.6681 10.6681 10.6695 10.6695 k = 0.5000 0.8954 0.3416 ( 6800 PWs) bands (ev): -20.0413 -20.0413 -20.0411 -20.0411 -17.6572 -17.6572 -17.6550 -17.6550 -17.2576 -17.2576 -17.2566 -17.2566 -17.2306 -17.2306 -17.2288 -17.2288 -7.8681 -7.8681 -7.8669 -7.8669 -6.2355 -6.2355 -6.2327 -6.2327 -5.0943 -5.0943 -5.0917 -5.0917 -5.0211 -5.0211 -5.0165 -5.0165 -2.5332 -2.5332 -2.5320 -2.5320 -2.2511 -2.2511 -2.2477 -2.2477 -1.9729 -1.9729 -1.9686 -1.9686 -1.7018 -1.7018 -1.7000 -1.7000 -1.4932 -1.4932 -1.4906 -1.4906 -0.1159 -0.1159 -0.1106 -0.1106 0.0356 0.0356 0.0410 0.0410 0.4395 0.4395 0.4409 0.4409 8.9704 8.9704 8.9715 8.9715 9.6283 9.6283 9.6286 9.6286 10.6630 10.6630 10.6646 10.6646 k = 0.5000 0.9083 0.3194 ( 6798 PWs) bands (ev): -20.0404 -20.0404 -20.0402 -20.0402 -17.6588 -17.6588 -17.6563 -17.6563 -17.2576 -17.2576 -17.2566 -17.2566 -17.2313 -17.2313 -17.2293 -17.2293 -7.8581 -7.8581 -7.8568 -7.8568 -6.2436 -6.2436 -6.2404 -6.2404 -5.0972 -5.0972 -5.0946 -5.0946 -5.0163 -5.0163 -5.0115 -5.0115 -2.5312 -2.5312 -2.5297 -2.5297 -2.2693 -2.2693 -2.2658 -2.2658 -1.9576 -1.9576 -1.9532 -1.9532 -1.7015 -1.7015 -1.6993 -1.6993 -1.4891 -1.4891 -1.4860 -1.4860 -0.1261 -0.1261 -0.1207 -0.1207 0.0425 0.0425 0.0481 0.0481 0.4252 0.4252 0.4269 0.4269 8.9836 8.9836 8.9849 8.9849 9.6474 9.6474 9.6478 9.6478 10.6559 10.6559 10.6578 10.6578 k = 0.5000 0.9211 0.2973 ( 6798 PWs) bands (ev): -20.0394 -20.0394 -20.0392 -20.0392 -17.6605 -17.6605 -17.6577 -17.6577 -17.2576 -17.2576 -17.2565 -17.2565 -17.2320 -17.2320 -17.2298 -17.2298 -7.8469 -7.8469 -7.8455 -7.8455 -6.2527 -6.2527 -6.2490 -6.2490 -5.0999 -5.0999 -5.0973 -5.0973 -5.0115 -5.0115 -5.0065 -5.0065 -2.5290 -2.5290 -2.5272 -2.5272 -2.2874 -2.2874 -2.2836 -2.2836 -1.9429 -1.9429 -1.9385 -1.9385 -1.7012 -1.7012 -1.6986 -1.6986 -1.4843 -1.4843 -1.4807 -1.4807 -0.1371 -0.1371 -0.1315 -0.1315 0.0496 0.0496 0.0554 0.0554 0.4096 0.4096 0.4115 0.4115 8.9984 8.9984 8.9998 8.9998 9.6690 9.6690 9.6695 9.6695 10.6466 10.6466 10.6487 10.6487 k = 0.5000 0.9339 0.2752 ( 6796 PWs) bands (ev): -20.0384 -20.0384 -20.0381 -20.0381 -17.6624 -17.6624 -17.6592 -17.6592 -17.2576 -17.2576 -17.2564 -17.2564 -17.2328 -17.2328 -17.2304 -17.2304 -7.8348 -7.8348 -7.8331 -7.8331 -6.2625 -6.2625 -6.2585 -6.2585 -5.1023 -5.1023 -5.0998 -5.0998 -5.0067 -5.0067 -5.0015 -5.0015 -2.5267 -2.5267 -2.5245 -2.5245 -2.3050 -2.3050 -2.3010 -2.3010 -1.9291 -1.9291 -1.9246 -1.9246 -1.7009 -1.7009 -1.6979 -1.6979 -1.4787 -1.4787 -1.4747 -1.4747 -0.1486 -0.1486 -0.1430 -0.1430 0.0568 0.0568 0.0627 0.0627 0.3929 0.3929 0.3951 0.3951 9.0147 9.0147 9.0163 9.0163 9.6928 9.6928 9.6934 9.6934 10.6346 10.6346 10.6370 10.6370 k = 0.5000 0.9468 0.2530 ( 6796 PWs) bands (ev): -20.0373 -20.0373 -20.0370 -20.0370 -17.6643 -17.6643 -17.6609 -17.6609 -17.2577 -17.2577 -17.2563 -17.2563 -17.2336 -17.2336 -17.2311 -17.2311 -7.8218 -7.8218 -7.8199 -7.8199 -6.2730 -6.2730 -6.2686 -6.2686 -5.1045 -5.1045 -5.1020 -5.1020 -5.0020 -5.0020 -4.9967 -4.9967 -2.5244 -2.5244 -2.5217 -2.5217 -2.3221 -2.3221 -2.3177 -2.3177 -1.9161 -1.9161 -1.9116 -1.9116 -1.7007 -1.7007 -1.6974 -1.6974 -1.4725 -1.4725 -1.4681 -1.4681 -0.1606 -0.1606 -0.1551 -0.1551 0.0640 0.0640 0.0701 0.0701 0.3755 0.3755 0.3781 0.3781 9.0323 9.0323 9.0340 9.0340 9.7185 9.7185 9.7193 9.7193 10.6196 10.6196 10.6223 10.6223 k = 0.5000 0.9596 0.2309 ( 6806 PWs) bands (ev): -20.0361 -20.0361 -20.0358 -20.0358 -17.6662 -17.6662 -17.6626 -17.6626 -17.2577 -17.2577 -17.2563 -17.2563 -17.2344 -17.2344 -17.2317 -17.2317 -7.8082 -7.8082 -7.8061 -7.8061 -6.2839 -6.2839 -6.2792 -6.2792 -5.1065 -5.1065 -5.1040 -5.1040 -4.9975 -4.9975 -4.9921 -4.9921 -2.5222 -2.5222 -2.5189 -2.5189 -2.3383 -2.3383 -2.3334 -2.3334 -1.9042 -1.9042 -1.8998 -1.8998 -1.7006 -1.7006 -1.6969 -1.6969 -1.4657 -1.4657 -1.4609 -1.4609 -0.1731 -0.1731 -0.1675 -0.1675 0.0711 0.0711 0.0774 0.0774 0.3577 0.3577 0.3607 0.3607 9.0510 9.0510 9.0528 9.0528 9.7459 9.7459 9.7468 9.7468 10.6014 10.6014 10.6044 10.6044 k = 0.5000 0.9724 0.2087 ( 6800 PWs) bands (ev): -20.0349 -20.0349 -20.0347 -20.0347 -17.6682 -17.6682 -17.6644 -17.6644 -17.2577 -17.2577 -17.2562 -17.2562 -17.2352 -17.2352 -17.2324 -17.2324 -7.7942 -7.7942 -7.7920 -7.7920 -6.2952 -6.2952 -6.2901 -6.2901 -5.1082 -5.1082 -5.1057 -5.1057 -4.9931 -4.9931 -4.9877 -4.9877 -2.5201 -2.5201 -2.5162 -2.5162 -2.3534 -2.3534 -2.3479 -2.3479 -1.8933 -1.8933 -1.8889 -1.8889 -1.7007 -1.7007 -1.6967 -1.6967 -1.4585 -1.4585 -1.4532 -1.4532 -0.1859 -0.1859 -0.1803 -0.1803 0.0781 0.0781 0.0846 0.0846 0.3398 0.3398 0.3434 0.3434 9.0704 9.0704 9.0723 9.0723 9.7745 9.7745 9.7757 9.7757 10.5800 10.5800 10.5833 10.5833 k = 0.5000 0.9853 0.1866 ( 6808 PWs) bands (ev): -20.0338 -20.0338 -20.0335 -20.0335 -17.6702 -17.6702 -17.6661 -17.6661 -17.2577 -17.2577 -17.2561 -17.2561 -17.2361 -17.2361 -17.2331 -17.2331 -7.7800 -7.7800 -7.7777 -7.7777 -6.3065 -6.3065 -6.3011 -6.3011 -5.1097 -5.1097 -5.1071 -5.1071 -4.9891 -4.9891 -4.9836 -4.9836 -2.5183 -2.5183 -2.5137 -2.5137 -2.3673 -2.3673 -2.3610 -2.3610 -1.8835 -1.8835 -1.8792 -1.8792 -1.7010 -1.7010 -1.6967 -1.6967 -1.4510 -1.4510 -1.4453 -1.4453 -0.1988 -0.1988 -0.1933 -0.1933 0.0848 0.0848 0.0917 0.0917 0.3223 0.3223 0.3265 0.3265 9.0903 9.0903 9.0923 9.0923 9.8039 9.8039 9.8053 9.8053 10.5558 10.5558 10.5594 10.5594 k = 0.5000 0.9981 0.1644 ( 6830 PWs) bands (ev): -20.0327 -20.0327 -20.0324 -20.0324 -17.6721 -17.6721 -17.6679 -17.6679 -17.2577 -17.2577 -17.2559 -17.2559 -17.2369 -17.2369 -17.2338 -17.2338 -7.7661 -7.7661 -7.7636 -7.7636 -6.3176 -6.3176 -6.3119 -6.3119 -5.1110 -5.1110 -5.1083 -5.1083 -4.9854 -4.9854 -4.9798 -4.9798 -2.5171 -2.5171 -2.5116 -2.5116 -2.3797 -2.3797 -2.3726 -2.3726 -1.8747 -1.8747 -1.8705 -1.8705 -1.7016 -1.7016 -1.6969 -1.6969 -1.4434 -1.4434 -1.4374 -1.4374 -0.2117 -0.2117 -0.2062 -0.2062 0.0912 0.0912 0.0985 0.0985 0.3055 0.3055 0.3103 0.3103 9.1102 9.1102 9.1124 9.1124 9.8335 9.8335 9.8351 9.8351 10.5291 10.5291 10.5331 10.5331 k = 0.5000 1.0110 0.1423 ( 6830 PWs) bands (ev): -20.0316 -20.0316 -20.0313 -20.0313 -17.6738 -17.6738 -17.6695 -17.6695 -17.2576 -17.2576 -17.2558 -17.2558 -17.2376 -17.2376 -17.2345 -17.2345 -7.7526 -7.7526 -7.7499 -7.7499 -6.3284 -6.3284 -6.3225 -6.3225 -5.1120 -5.1120 -5.1093 -5.1093 -4.9820 -4.9820 -4.9764 -4.9764 -2.5164 -2.5164 -2.5100 -2.5100 -2.3902 -2.3902 -2.3822 -2.3822 -1.8668 -1.8668 -1.8626 -1.8626 -1.7024 -1.7024 -1.6975 -1.6975 -1.4360 -1.4360 -1.4296 -1.4296 -0.2244 -0.2244 -0.2189 -0.2189 0.0972 0.0972 0.1050 0.1050 0.2896 0.2896 0.2952 0.2952 9.1298 9.1298 9.1321 9.1321 9.8625 9.8625 9.8645 9.8645 10.5011 10.5011 10.5054 10.5054 k = 0.5000 1.0238 0.1202 ( 6838 PWs) bands (ev): -20.0307 -20.0307 -20.0303 -20.0303 -17.6754 -17.6754 -17.6709 -17.6709 -17.2576 -17.2576 -17.2557 -17.2557 -17.2384 -17.2384 -17.2352 -17.2352 -7.7398 -7.7398 -7.7370 -7.7370 -6.3386 -6.3386 -6.3324 -6.3324 -5.1129 -5.1129 -5.1101 -5.1101 -4.9791 -4.9791 -4.9735 -4.9735 -2.5165 -2.5165 -2.5092 -2.5092 -2.3988 -2.3988 -2.3899 -2.3899 -1.8598 -1.8598 -1.8557 -1.8557 -1.7036 -1.7036 -1.6985 -1.6985 -1.4290 -1.4290 -1.4222 -1.4222 -0.2366 -0.2366 -0.2311 -0.2311 0.1027 0.1027 0.1110 0.1110 0.2750 0.2750 0.2815 0.2815 9.1485 9.1485 9.1508 9.1508 9.8902 9.8902 9.8926 9.8926 10.4729 10.4729 10.4776 10.4776 k = 0.5000 1.0366 0.0980 ( 6836 PWs) bands (ev): -20.0298 -20.0298 -20.0295 -20.0295 -17.6768 -17.6768 -17.6722 -17.6722 -17.2575 -17.2575 -17.2555 -17.2555 -17.2391 -17.2391 -17.2358 -17.2358 -7.7281 -7.7281 -7.7252 -7.7252 -6.3478 -6.3478 -6.3414 -6.3414 -5.1136 -5.1136 -5.1108 -5.1108 -4.9766 -4.9766 -4.9710 -4.9710 -2.5173 -2.5173 -2.5093 -2.5093 -2.4050 -2.4050 -2.3954 -2.3954 -1.8535 -1.8535 -1.8495 -1.8495 -1.7052 -1.7052 -1.6998 -1.6998 -1.4226 -1.4226 -1.4155 -1.4155 -0.2480 -0.2480 -0.2424 -0.2424 0.1075 0.1075 0.1165 0.1165 0.2621 0.2621 0.2694 0.2694 9.1656 9.1656 9.1680 9.1680 9.9155 9.9155 9.9182 9.9182 10.4463 10.4463 10.4514 10.4514 k = 0.5000 1.0495 0.0759 ( 6838 PWs) bands (ev): -20.0291 -20.0291 -20.0288 -20.0288 -17.6779 -17.6779 -17.6733 -17.6733 -17.2574 -17.2574 -17.2554 -17.2554 -17.2397 -17.2397 -17.2365 -17.2365 -7.7179 -7.7179 -7.7149 -7.7149 -6.3558 -6.3558 -6.3493 -6.3493 -5.1142 -5.1142 -5.1113 -5.1113 -4.9746 -4.9746 -4.9691 -4.9691 -2.5188 -2.5188 -2.5103 -2.5103 -2.4090 -2.4090 -2.3989 -2.3989 -1.8479 -1.8479 -1.8440 -1.8440 -1.7072 -1.7072 -1.7016 -1.7016 -1.4172 -1.4172 -1.4097 -1.4097 -0.2583 -0.2583 -0.2526 -0.2526 0.1116 0.1116 0.1213 0.1213 0.2511 0.2511 0.2593 0.2593 9.1803 9.1803 9.1828 9.1828 9.9371 9.9371 9.9403 9.9403 10.4233 10.4233 10.4287 10.4287 k = 0.5000 1.0623 0.0537 ( 6830 PWs) bands (ev): -20.0286 -20.0286 -20.0282 -20.0282 -17.6788 -17.6788 -17.6740 -17.6740 -17.2573 -17.2573 -17.2552 -17.2552 -17.2403 -17.2403 -17.2370 -17.2370 -7.7094 -7.7094 -7.7063 -7.7063 -6.3624 -6.3624 -6.3557 -6.3557 -5.1148 -5.1148 -5.1117 -5.1117 -4.9731 -4.9731 -4.9676 -4.9676 -2.5207 -2.5207 -2.5120 -2.5120 -2.4107 -2.4107 -2.4003 -2.4003 -1.8430 -1.8430 -1.8391 -1.8391 -1.7096 -1.7096 -1.7038 -1.7038 -1.4128 -1.4128 -1.4051 -1.4051 -0.2671 -0.2671 -0.2614 -0.2614 0.1148 0.1148 0.1252 0.1252 0.2423 0.2423 0.2513 0.2513 9.1918 9.1918 9.1942 9.1942 9.9541 9.9541 9.9575 9.9575 10.4060 10.4060 10.4117 10.4117 k = 0.5000 1.0751 0.0316 ( 6834 PWs) bands (ev): -20.0282 -20.0282 -20.0279 -20.0279 -17.6792 -17.6792 -17.6745 -17.6745 -17.2572 -17.2572 -17.2550 -17.2550 -17.2409 -17.2409 -17.2376 -17.2376 -7.7030 -7.7030 -7.6999 -7.6999 -6.3673 -6.3673 -6.3605 -6.3605 -5.1153 -5.1153 -5.1122 -5.1122 -4.9721 -4.9721 -4.9668 -4.9668 -2.5228 -2.5228 -2.5141 -2.5141 -2.4105 -2.4105 -2.4001 -2.4001 -1.8385 -1.8385 -1.8347 -1.8347 -1.7124 -1.7124 -1.7065 -1.7065 -1.4097 -1.4097 -1.4018 -1.4018 -0.2742 -0.2742 -0.2684 -0.2684 0.1172 0.1172 0.1279 0.1279 0.2358 0.2358 0.2454 0.2454 9.1988 9.1988 9.2012 9.2012 9.9657 9.9657 9.9692 9.9692 10.3962 10.3962 10.4021 10.4021 k = 0.5000 1.0880 0.0094 ( 6834 PWs) bands (ev): -20.0281 -20.0281 -20.0278 -20.0278 -17.6793 -17.6793 -17.6745 -17.6745 -17.2570 -17.2570 -17.2548 -17.2548 -17.2414 -17.2414 -17.2380 -17.2380 -7.6990 -7.6990 -7.6958 -7.6958 -6.3703 -6.3703 -6.3634 -6.3634 -5.1159 -5.1159 -5.1126 -5.1126 -4.9717 -4.9717 -4.9666 -4.9666 -2.5247 -2.5247 -2.5162 -2.5162 -2.4086 -2.4086 -2.3983 -2.3983 -1.8345 -1.8345 -1.8308 -1.8308 -1.7158 -1.7158 -1.7097 -1.7097 -1.4081 -1.4081 -1.3999 -1.3999 -0.2793 -0.2793 -0.2734 -0.2734 0.1187 0.1187 0.1296 0.1296 0.2319 0.2319 0.2418 0.2418 9.2002 9.2002 9.2026 9.2026 9.9722 9.9722 9.9759 9.9759 10.3948 10.3948 10.4005 10.4005 k = 0.5000 1.0880 0.0094 ( 6834 PWs) bands (ev): -20.0281 -20.0281 -20.0278 -20.0278 -17.6793 -17.6793 -17.6745 -17.6745 -17.2570 -17.2570 -17.2548 -17.2548 -17.2414 -17.2414 -17.2380 -17.2380 -7.6990 -7.6990 -7.6958 -7.6958 -6.3703 -6.3703 -6.3634 -6.3634 -5.1159 -5.1159 -5.1126 -5.1126 -4.9717 -4.9717 -4.9666 -4.9666 -2.5247 -2.5247 -2.5162 -2.5162 -2.4086 -2.4086 -2.3983 -2.3983 -1.8345 -1.8345 -1.8308 -1.8308 -1.7158 -1.7158 -1.7097 -1.7097 -1.4081 -1.4081 -1.3999 -1.3999 -0.2793 -0.2793 -0.2734 -0.2734 0.1187 0.1187 0.1296 0.1296 0.2319 0.2319 0.2418 0.2418 9.2002 9.2002 9.2026 9.2026 9.9722 9.9722 9.9759 9.9759 10.3948 10.3948 10.4005 10.4005 k = 0.5000 1.0751-0.0132 ( 6834 PWs) bands (ev): -20.0283 -20.0283 -20.0279 -20.0279 -17.6791 -17.6791 -17.6743 -17.6743 -17.2568 -17.2568 -17.2546 -17.2546 -17.2416 -17.2416 -17.2382 -17.2382 -7.6996 -7.6996 -7.6965 -7.6965 -6.3699 -6.3699 -6.3630 -6.3630 -5.1163 -5.1163 -5.1127 -5.1127 -4.9715 -4.9715 -4.9664 -4.9664 -2.5265 -2.5265 -2.5182 -2.5182 -2.4062 -2.4062 -2.3963 -2.3963 -1.8335 -1.8335 -1.8297 -1.8297 -1.7174 -1.7174 -1.7110 -1.7110 -1.4078 -1.4078 -1.3995 -1.3995 -0.2799 -0.2799 -0.2741 -0.2741 0.1195 0.1195 0.1302 0.1302 0.2321 0.2321 0.2420 0.2420 9.1961 9.1961 9.1985 9.1985 9.9716 9.9716 9.9751 9.9751 10.4013 10.4013 10.4069 10.4069 k = 0.5000 1.0623-0.0357 ( 6834 PWs) bands (ev): -20.0286 -20.0286 -20.0282 -20.0282 -17.6785 -17.6785 -17.6737 -17.6737 -17.2566 -17.2566 -17.2543 -17.2543 -17.2417 -17.2417 -17.2384 -17.2384 -7.7027 -7.7027 -7.6996 -7.6996 -6.3675 -6.3675 -6.3606 -6.3606 -5.1168 -5.1168 -5.1130 -5.1130 -4.9719 -4.9719 -4.9668 -4.9668 -2.5279 -2.5279 -2.5200 -2.5200 -2.4026 -2.4026 -2.3930 -2.3930 -1.8333 -1.8333 -1.8295 -1.8295 -1.7190 -1.7190 -1.7123 -1.7123 -1.4087 -1.4087 -1.4004 -1.4004 -0.2787 -0.2787 -0.2729 -0.2729 0.1196 0.1196 0.1298 0.1298 0.2348 0.2348 0.2442 0.2442 9.1858 9.1858 9.1881 9.1881 9.9666 9.9666 9.9698 9.9698 10.4164 10.4164 10.4217 10.4217 k = 0.5000 1.0495-0.0583 ( 6830 PWs) bands (ev): -20.0292 -20.0292 -20.0288 -20.0288 -17.6775 -17.6775 -17.6728 -17.6728 -17.2563 -17.2563 -17.2541 -17.2541 -17.2417 -17.2417 -17.2385 -17.2385 -7.7080 -7.7080 -7.7050 -7.7050 -6.3631 -6.3631 -6.3564 -6.3564 -5.1173 -5.1173 -5.1133 -5.1133 -4.9729 -4.9729 -4.9678 -4.9678 -2.5291 -2.5291 -2.5217 -2.5217 -2.3975 -2.3975 -2.3883 -2.3883 -1.8341 -1.8341 -1.8300 -1.8300 -1.7207 -1.7207 -1.7137 -1.7137 -1.4107 -1.4107 -1.4025 -1.4025 -0.2757 -0.2757 -0.2700 -0.2700 0.1188 0.1188 0.1281 0.1281 0.2399 0.2399 0.2486 0.2486 9.1706 9.1706 9.1729 9.1729 9.9564 9.9564 9.9591 9.9591 10.4395 10.4395 10.4444 10.4444 k = 0.5000 1.0366-0.0809 ( 6828 PWs) bands (ev): -20.0299 -20.0299 -20.0295 -20.0295 -17.6761 -17.6761 -17.6715 -17.6715 -17.2560 -17.2560 -17.2539 -17.2539 -17.2417 -17.2417 -17.2385 -17.2385 -7.7153 -7.7153 -7.7124 -7.7124 -6.3571 -6.3571 -6.3505 -6.3505 -5.1179 -5.1179 -5.1136 -5.1136 -4.9744 -4.9744 -4.9694 -4.9694 -2.5303 -2.5303 -2.5234 -2.5234 -2.3911 -2.3911 -2.3824 -2.3824 -1.8357 -1.8357 -1.8315 -1.8315 -1.7224 -1.7224 -1.7150 -1.7150 -1.4139 -1.4139 -1.4057 -1.4057 -0.2713 -0.2713 -0.2656 -0.2656 0.1171 0.1171 0.1252 0.1252 0.2474 0.2474 0.2553 0.2553 9.1519 9.1519 9.1542 9.1542 9.9411 9.9411 9.9435 9.9435 10.4687 10.4687 10.4733 10.4733 k = 0.5000 1.0238-0.1035 ( 6820 PWs) bands (ev): -20.0308 -20.0308 -20.0304 -20.0304 -17.6745 -17.6745 -17.6700 -17.6700 -17.2558 -17.2558 -17.2537 -17.2537 -17.2417 -17.2417 -17.2385 -17.2385 -7.7242 -7.7242 -7.7214 -7.7214 -6.3497 -6.3497 -6.3432 -6.3432 -5.1184 -5.1184 -5.1139 -5.1139 -4.9764 -4.9764 -4.9715 -4.9715 -2.5314 -2.5314 -2.5251 -2.5251 -2.3833 -2.3833 -2.3752 -2.3752 -1.8383 -1.8383 -1.8340 -1.8340 -1.7240 -1.7240 -1.7163 -1.7163 -1.4180 -1.4180 -1.4099 -1.4099 -0.2655 -0.2655 -0.2600 -0.2600 0.1144 0.1144 0.1213 0.1213 0.2571 0.2571 0.2641 0.2641 9.1308 9.1308 9.1329 9.1329 9.9218 9.9218 9.9237 9.9237 10.5018 10.5018 10.5062 10.5062 k = 0.5000 1.0110-0.1261 ( 6824 PWs) bands (ev): -20.0318 -20.0318 -20.0314 -20.0314 -17.6727 -17.6727 -17.6683 -17.6683 -17.2555 -17.2555 -17.2535 -17.2535 -17.2415 -17.2415 -17.2385 -17.2385 -7.7344 -7.7344 -7.7317 -7.7317 -6.3412 -6.3412 -6.3349 -6.3349 -5.1188 -5.1188 -5.1141 -5.1141 -4.9789 -4.9789 -4.9740 -4.9740 -2.5326 -2.5326 -2.5268 -2.5268 -2.3742 -2.3742 -2.3667 -2.3667 -1.8420 -1.8420 -1.8376 -1.8376 -1.7255 -1.7255 -1.7175 -1.7175 -1.4228 -1.4228 -1.4149 -1.4149 -0.2588 -0.2588 -0.2534 -0.2534 0.1108 0.1108 0.1166 0.1166 0.2686 0.2686 0.2748 0.2748 9.1080 9.1080 9.1100 9.1100 9.8995 9.8995 9.9011 9.9011 10.5366 10.5366 10.5408 10.5408 k = 0.5000 0.9981-0.1487 ( 6822 PWs) bands (ev): -20.0329 -20.0329 -20.0326 -20.0326 -17.6707 -17.6707 -17.6665 -17.6665 -17.2551 -17.2551 -17.2533 -17.2533 -17.2414 -17.2414 -17.2383 -17.2383 -7.7455 -7.7455 -7.7430 -7.7430 -6.3317 -6.3317 -6.3257 -6.3257 -5.1192 -5.1192 -5.1142 -5.1142 -4.9818 -4.9818 -4.9770 -4.9770 -2.5337 -2.5337 -2.5285 -2.5285 -2.3640 -2.3640 -2.3571 -2.3571 -1.8468 -1.8468 -1.8423 -1.8423 -1.7268 -1.7268 -1.7186 -1.7186 -1.4283 -1.4283 -1.4206 -1.4206 -0.2513 -0.2513 -0.2461 -0.2461 0.1066 0.1066 0.1113 0.1113 0.2815 0.2815 0.2870 0.2870 9.0843 9.0843 9.0863 9.0863 9.8753 9.8753 9.8768 9.8768 10.5710 10.5710 10.5753 10.5753 k = 0.5000 0.9853-0.1713 ( 6810 PWs) bands (ev): -20.0340 -20.0340 -20.0337 -20.0337 -17.6686 -17.6686 -17.6645 -17.6645 -17.2548 -17.2548 -17.2532 -17.2532 -17.2411 -17.2411 -17.2382 -17.2382 -7.7574 -7.7574 -7.7550 -7.7550 -6.3217 -6.3217 -6.3159 -6.3159 -5.1193 -5.1193 -5.1143 -5.1143 -4.9851 -4.9851 -4.9803 -4.9803 -2.5350 -2.5350 -2.5303 -2.5303 -2.3526 -2.3526 -2.3463 -2.3463 -1.8527 -1.8527 -1.8483 -1.8483 -1.7278 -1.7278 -1.7196 -1.7196 -1.4341 -1.4341 -1.4266 -1.4266 -0.2433 -0.2433 -0.2383 -0.2383 0.1019 0.1019 0.1057 0.1057 0.2955 0.2955 0.3004 0.3004 9.0604 9.0604 9.0623 9.0623 9.8503 9.8503 9.8515 9.8515 10.6037 10.6037 10.6079 10.6079 k = 0.5000 0.9724-0.1939 ( 6814 PWs) bands (ev): -20.0353 -20.0353 -20.0350 -20.0350 -17.6664 -17.6664 -17.6625 -17.6625 -17.2546 -17.2546 -17.2530 -17.2530 -17.2409 -17.2409 -17.2380 -17.2380 -7.7696 -7.7696 -7.7674 -7.7674 -6.3113 -6.3113 -6.3057 -6.3057 -5.1193 -5.1193 -5.1141 -5.1141 -4.9886 -4.9886 -4.9839 -4.9839 -2.5362 -2.5362 -2.5321 -2.5321 -2.3403 -2.3403 -2.3346 -2.3346 -1.8598 -1.8598 -1.8555 -1.8555 -1.7285 -1.7285 -1.7204 -1.7204 -1.4401 -1.4401 -1.4329 -1.4329 -0.2350 -0.2350 -0.2302 -0.2302 0.0969 0.0969 0.0998 0.0998 0.3102 0.3102 0.3147 0.3147 9.0367 9.0367 9.0385 9.0385 9.8251 9.8251 9.8262 9.8262 10.6334 10.6334 10.6376 10.6376 k = 0.5000 0.9596-0.2165 ( 6798 PWs) bands (ev): -20.0365 -20.0365 -20.0362 -20.0362 -17.6642 -17.6642 -17.6605 -17.6605 -17.2543 -17.2543 -17.2528 -17.2528 -17.2405 -17.2405 -17.2378 -17.2378 -7.7819 -7.7819 -7.7798 -7.7798 -6.3007 -6.3007 -6.2955 -6.2955 -5.1191 -5.1191 -5.1139 -5.1139 -4.9924 -4.9924 -4.9877 -4.9877 -2.5375 -2.5375 -2.5339 -2.5339 -2.3273 -2.3273 -2.3220 -2.3220 -1.8680 -1.8680 -1.8638 -1.8638 -1.7289 -1.7289 -1.7211 -1.7211 -1.4461 -1.4461 -1.4393 -1.4393 -0.2267 -0.2267 -0.2221 -0.2221 0.0916 0.0916 0.0939 0.0939 0.3254 0.3254 0.3294 0.3294 9.0136 9.0136 9.0152 9.0152 9.8003 9.8003 9.8014 9.8014 10.6595 10.6595 10.6637 10.6637 k = 0.5000 0.9468-0.2391 ( 6798 PWs) bands (ev): -20.0377 -20.0377 -20.0374 -20.0374 -17.6620 -17.6620 -17.6586 -17.6586 -17.2540 -17.2540 -17.2527 -17.2527 -17.2402 -17.2402 -17.2376 -17.2376 -7.7940 -7.7940 -7.7921 -7.7921 -6.2903 -6.2903 -6.2854 -6.2854 -5.1187 -5.1187 -5.1134 -5.1134 -4.9963 -4.9963 -4.9918 -4.9918 -2.5388 -2.5388 -2.5356 -2.5356 -2.3135 -2.3135 -2.3087 -2.3087 -1.8773 -1.8773 -1.8733 -1.8733 -1.7291 -1.7291 -1.7216 -1.7216 -1.4520 -1.4520 -1.4455 -1.4455 -0.2184 -0.2184 -0.2140 -0.2140 0.0863 0.0863 0.0881 0.0881 0.3406 0.3406 0.3443 0.3443 8.9914 8.9914 8.9930 8.9930 9.7766 9.7766 9.7775 9.7775 10.6819 10.6819 10.6860 10.6860 k = 0.5000 0.9339-0.2617 ( 6806 PWs) bands (ev): -20.0388 -20.0388 -20.0386 -20.0386 -17.6599 -17.6599 -17.6567 -17.6567 -17.2538 -17.2538 -17.2526 -17.2526 -17.2398 -17.2398 -17.2374 -17.2374 -7.8056 -7.8056 -7.8039 -7.8039 -6.2802 -6.2802 -6.2757 -6.2757 -5.1181 -5.1181 -5.1129 -5.1129 -5.0004 -5.0004 -4.9959 -4.9959 -2.5400 -2.5400 -2.5372 -2.5372 -2.2994 -2.2994 -2.2950 -2.2950 -1.8874 -1.8874 -1.8838 -1.8838 -1.7290 -1.7290 -1.7219 -1.7219 -1.4575 -1.4575 -1.4515 -1.4515 -0.2104 -0.2104 -0.2062 -0.2062 0.0809 0.0809 0.0824 0.0824 0.3555 0.3555 0.3590 0.3590 8.9705 8.9705 8.9719 8.9719 9.7541 9.7541 9.7550 9.7550 10.7007 10.7007 10.7046 10.7046 k = 0.5000 0.9211-0.2843 ( 6802 PWs) bands (ev): -20.0400 -20.0400 -20.0397 -20.0397 -17.6579 -17.6579 -17.6550 -17.6550 -17.2536 -17.2536 -17.2525 -17.2525 -17.2394 -17.2394 -17.2371 -17.2371 -7.8167 -7.8167 -7.8151 -7.8151 -6.2706 -6.2706 -6.2664 -6.2664 -5.1173 -5.1173 -5.1122 -5.1122 -5.0044 -5.0044 -5.0001 -5.0001 -2.5412 -2.5412 -2.5387 -2.5387 -2.2849 -2.2849 -2.2810 -2.2810 -1.8983 -1.8983 -1.8950 -1.8950 -1.7287 -1.7287 -1.7222 -1.7222 -1.4626 -1.4626 -1.4570 -1.4570 -0.2028 -0.2028 -0.1989 -0.1989 0.0757 0.0757 0.0770 0.0770 0.3699 0.3699 0.3731 0.3731 8.9512 8.9512 8.9524 8.9524 9.7334 9.7334 9.7342 9.7342 10.7161 10.7161 10.7198 10.7198 k = 0.5000 0.9083-0.3069 ( 6802 PWs) bands (ev): -20.0410 -20.0410 -20.0408 -20.0408 -17.6560 -17.6560 -17.6534 -17.6534 -17.2534 -17.2534 -17.2524 -17.2524 -17.2390 -17.2390 -17.2369 -17.2369 -7.8268 -7.8268 -7.8255 -7.8255 -6.2617 -6.2617 -6.2579 -6.2579 -5.1163 -5.1163 -5.1114 -5.1114 -5.0082 -5.0082 -5.0042 -5.0042 -2.5423 -2.5423 -2.5401 -2.5401 -2.2705 -2.2705 -2.2669 -2.2669 -1.9096 -1.9096 -1.9067 -1.9067 -1.7282 -1.7282 -1.7224 -1.7224 -1.4673 -1.4673 -1.4622 -1.4622 -0.1958 -0.1958 -0.1921 -0.1921 0.0708 0.0708 0.0720 0.0720 0.3834 0.3834 0.3864 0.3864 8.9335 8.9335 8.9347 8.9347 9.7146 9.7146 9.7153 9.7153 10.7285 10.7285 10.7319 10.7319 k = 0.5000 0.8954-0.3294 ( 6806 PWs) bands (ev): -20.0419 -20.0419 -20.0418 -20.0418 -17.6542 -17.6542 -17.6519 -17.6519 -17.2533 -17.2533 -17.2523 -17.2523 -17.2385 -17.2385 -17.2367 -17.2367 -7.8360 -7.8360 -7.8348 -7.8348 -6.2536 -6.2536 -6.2503 -6.2503 -5.1151 -5.1151 -5.1106 -5.1106 -5.0119 -5.0119 -5.0082 -5.0082 -2.5433 -2.5433 -2.5414 -2.5414 -2.2564 -2.2564 -2.2532 -2.2532 -1.9211 -1.9211 -1.9185 -1.9185 -1.7277 -1.7277 -1.7225 -1.7225 -1.4713 -1.4713 -1.4667 -1.4667 -0.1894 -0.1894 -0.1859 -0.1859 0.0662 0.0662 0.0674 0.0674 0.3957 0.3957 0.3985 0.3985 8.9179 8.9179 8.9189 8.9189 9.6979 9.6979 9.6986 9.6986 10.7383 10.7383 10.7415 10.7415 k = 0.5000 0.8826-0.3520 ( 6808 PWs) bands (ev): -20.0427 -20.0427 -20.0426 -20.0426 -17.6527 -17.6527 -17.6507 -17.6507 -17.2532 -17.2532 -17.2523 -17.2523 -17.2381 -17.2381 -17.2366 -17.2366 -7.8439 -7.8439 -7.8430 -7.8430 -6.2466 -6.2466 -6.2436 -6.2436 -5.1139 -5.1139 -5.1098 -5.1098 -5.0152 -5.0152 -5.0119 -5.0119 -2.5442 -2.5442 -2.5425 -2.5425 -2.2430 -2.2430 -2.2401 -2.2401 -1.9323 -1.9323 -1.9301 -1.9301 -1.7271 -1.7271 -1.7226 -1.7226 -1.4748 -1.4748 -1.4707 -1.4707 -0.1837 -0.1837 -0.1805 -0.1805 0.0620 0.0620 0.0633 0.0633 0.4066 0.4066 0.4093 0.4093 8.9043 8.9043 8.9052 8.9052 9.6835 9.6835 9.6841 9.6841 10.7460 10.7460 10.7488 10.7488 k = 0.5000 0.8698-0.3746 ( 6816 PWs) bands (ev): -20.0434 -20.0434 -20.0433 -20.0433 -17.6513 -17.6513 -17.6497 -17.6497 -17.2531 -17.2531 -17.2522 -17.2522 -17.2377 -17.2377 -17.2365 -17.2365 -7.8506 -7.8506 -7.8498 -7.8498 -6.2406 -6.2406 -6.2380 -6.2380 -5.1126 -5.1126 -5.1091 -5.1091 -5.0181 -5.0181 -5.0152 -5.0152 -2.5449 -2.5449 -2.5434 -2.5434 -2.2307 -2.2307 -2.2282 -2.2282 -1.9428 -1.9428 -1.9409 -1.9409 -1.7264 -1.7264 -1.7228 -1.7228 -1.4775 -1.4775 -1.4741 -1.4741 -0.1789 -0.1789 -0.1759 -0.1759 0.0585 0.0585 0.0598 0.0598 0.4158 0.4158 0.4183 0.4183 8.8930 8.8930 8.8937 8.8937 9.6716 9.6716 9.6722 9.6722 10.7518 10.7518 10.7543 10.7543 k = 0.5000 0.8569-0.3972 ( 6822 PWs) bands (ev): -20.0440 -20.0440 -20.0439 -20.0439 -17.6503 -17.6503 -17.6490 -17.6490 -17.2530 -17.2530 -17.2522 -17.2522 -17.2374 -17.2374 -17.2364 -17.2364 -7.8559 -7.8559 -7.8553 -7.8553 -6.2358 -6.2358 -6.2337 -6.2337 -5.1114 -5.1114 -5.1085 -5.1085 -5.0203 -5.0203 -5.0181 -5.0181 -2.5455 -2.5455 -2.5441 -2.5441 -2.2202 -2.2202 -2.2179 -2.2179 -1.9519 -1.9519 -1.9504 -1.9504 -1.7258 -1.7258 -1.7229 -1.7229 -1.4797 -1.4797 -1.4767 -1.4767 -0.1751 -0.1751 -0.1722 -0.1722 0.0556 0.0556 0.0569 0.0569 0.4232 0.4232 0.4256 0.4256 8.8841 8.8841 8.8847 8.8847 9.6622 9.6622 9.6627 9.6627 10.7561 10.7561 10.7583 10.7583 k = 0.5000 0.8441-0.4198 ( 6822 PWs) bands (ev): -20.0444 -20.0444 -20.0443 -20.0443 -17.6494 -17.6494 -17.6485 -17.6485 -17.2529 -17.2529 -17.2522 -17.2522 -17.2371 -17.2371 -17.2365 -17.2365 -7.8597 -7.8597 -7.8593 -7.8593 -6.2323 -6.2323 -6.2305 -6.2305 -5.1104 -5.1104 -5.1081 -5.1081 -5.0219 -5.0219 -5.0203 -5.0203 -2.5459 -2.5459 -2.5447 -2.5447 -2.2119 -2.2119 -2.2100 -2.2100 -1.9591 -1.9591 -1.9580 -1.9580 -1.7253 -1.7253 -1.7231 -1.7231 -1.4812 -1.4812 -1.4787 -1.4787 -0.1722 -0.1722 -0.1696 -0.1696 0.0535 0.0535 0.0548 0.0548 0.4286 0.4286 0.4309 0.4309 8.8777 8.8777 8.8782 8.8782 9.6554 9.6554 9.6559 9.6559 10.7590 10.7590 10.7610 10.7610 k = 0.5000 0.8312-0.4424 ( 6820 PWs) bands (ev): -20.0446 -20.0446 -20.0445 -20.0445 -17.6489 -17.6489 -17.6482 -17.6482 -17.2529 -17.2529 -17.2522 -17.2522 -17.2369 -17.2369 -17.2365 -17.2365 -7.8619 -7.8619 -7.8617 -7.8617 -6.2302 -6.2302 -6.2286 -6.2286 -5.1096 -5.1096 -5.1080 -5.1080 -5.0227 -5.0227 -5.0219 -5.0219 -2.5461 -2.5461 -2.5450 -2.5450 -2.2066 -2.2066 -2.2050 -2.2050 -1.9636 -1.9636 -1.9629 -1.9629 -1.7248 -1.7248 -1.7233 -1.7233 -1.4820 -1.4820 -1.4799 -1.4799 -0.1705 -0.1705 -0.1680 -0.1680 0.0522 0.0522 0.0535 0.0535 0.4319 0.4319 0.4342 0.4342 8.8739 8.8739 8.8742 8.8742 9.6514 9.6514 9.6518 9.6518 10.7608 10.7608 10.7625 10.7625 k = 0.5000 0.8184-0.4650 ( 6824 PWs) bands (ev): -20.0447 -20.0447 -20.0446 -20.0446 -17.6487 -17.6487 -17.6481 -17.6481 -17.2529 -17.2529 -17.2522 -17.2522 -17.2367 -17.2367 -17.2367 -17.2367 -7.8627 -7.8627 -7.8626 -7.8626 -6.2294 -6.2294 -6.2280 -6.2280 -5.1093 -5.1093 -5.1080 -5.1080 -5.0227 -5.0227 -5.0227 -5.0227 -2.5462 -2.5462 -2.5451 -2.5451 -2.2047 -2.2047 -2.2032 -2.2032 -1.9652 -1.9652 -1.9646 -1.9646 -1.7247 -1.7247 -1.7234 -1.7234 -1.4823 -1.4823 -1.4803 -1.4803 -0.1699 -0.1699 -0.1674 -0.1674 0.0518 0.0518 0.0531 0.0531 0.4330 0.4330 0.4353 0.4353 8.8726 8.8726 8.8729 8.8729 9.6500 9.6500 9.6505 9.6505 10.7613 10.7613 10.7630 10.7630 k = 0.5000 0.8184-0.4650 ( 6824 PWs) bands (ev): -20.0447 -20.0447 -20.0446 -20.0446 -17.6487 -17.6487 -17.6481 -17.6481 -17.2529 -17.2529 -17.2522 -17.2522 -17.2367 -17.2367 -17.2367 -17.2367 -7.8627 -7.8627 -7.8626 -7.8626 -6.2294 -6.2294 -6.2280 -6.2280 -5.1093 -5.1093 -5.1080 -5.1080 -5.0227 -5.0227 -5.0227 -5.0227 -2.5462 -2.5462 -2.5451 -2.5451 -2.2047 -2.2047 -2.2032 -2.2032 -1.9652 -1.9652 -1.9646 -1.9646 -1.7247 -1.7247 -1.7234 -1.7234 -1.4823 -1.4823 -1.4803 -1.4803 -0.1699 -0.1699 -0.1674 -0.1674 0.0518 0.0518 0.0531 0.0531 0.4330 0.4330 0.4353 0.4353 8.8726 8.8726 8.8729 8.8729 9.6500 9.6500 9.6505 9.6505 10.7613 10.7613 10.7630 10.7630 k = 0.4737 0.8184-0.4650 ( 6824 PWs) bands (ev): -20.0470 -20.0470 -20.0423 -20.0423 -17.6534 -17.6528 -17.6439 -17.6433 -17.2532 -17.2526 -17.2524 -17.2520 -17.2372 -17.2371 -17.2362 -17.2362 -7.8886 -7.8885 -7.8357 -7.8356 -6.2590 -6.2575 -6.2010 -6.1994 -5.1135 -5.1123 -5.1083 -5.1067 -5.0252 -5.0250 -5.0175 -5.0172 -2.5504 -2.5493 -2.5419 -2.5407 -2.2137 -2.2126 -2.1977 -2.1957 -1.9668 -1.9657 -1.9640 -1.9639 -1.7251 -1.7242 -1.7210 -1.7194 -1.4861 -1.4838 -1.4783 -1.4765 -0.1739 -0.1714 -0.1664 -0.1639 0.0414 0.0429 0.0609 0.0620 0.4096 0.4120 0.4568 0.4589 8.8412 8.8415 8.9047 8.9050 9.6049 9.6052 9.6974 9.6980 10.7508 10.7524 10.7729 10.7746 k = 0.4474 0.8184-0.4650 ( 6824 PWs) bands (ev): -20.0494 -20.0493 -20.0399 -20.0399 -17.6580 -17.6575 -17.6391 -17.6385 -17.2536 -17.2527 -17.2524 -17.2519 -17.2377 -17.2376 -17.2357 -17.2357 -7.9134 -7.9133 -7.8077 -7.8077 -6.2895 -6.2880 -6.1736 -6.1720 -5.1198 -5.1188 -5.1106 -5.1089 -5.0242 -5.0238 -5.0100 -5.0096 -2.5544 -2.5535 -2.5375 -2.5362 -2.2243 -2.2236 -2.1927 -2.1903 -1.9688 -1.9673 -1.9636 -1.9633 -1.7222 -1.7216 -1.7143 -1.7123 -1.4894 -1.4868 -1.4739 -1.4723 -0.1785 -0.1760 -0.1634 -0.1608 0.0297 0.0314 0.0686 0.0695 0.3867 0.3892 0.4808 0.4827 8.8107 8.8110 8.9371 8.9374 9.5623 9.5626 9.7468 9.7474 10.7414 10.7430 10.7854 10.7871 k = 0.4211 0.8184-0.4650 ( 6812 PWs) bands (ev): -20.0517 -20.0517 -20.0376 -20.0376 -17.6625 -17.6620 -17.6343 -17.6337 -17.2540 -17.2530 -17.2522 -17.2519 -17.2382 -17.2381 -17.2353 -17.2352 -7.9370 -7.9369 -7.7789 -7.7789 -6.3208 -6.3194 -6.1474 -6.1459 -5.1274 -5.1266 -5.1159 -5.1142 -5.0201 -5.0196 -5.0013 -5.0007 -2.5582 -2.5574 -2.5330 -2.5316 -2.2363 -2.2360 -2.1898 -2.1871 -1.9711 -1.9692 -1.9635 -1.9629 -1.7162 -1.7157 -1.7050 -1.7027 -1.4922 -1.4894 -1.4693 -1.4679 -0.1835 -0.1810 -0.1608 -0.1581 0.0169 0.0188 0.0750 0.0756 0.3645 0.3673 0.5046 0.5064 8.7814 8.7816 8.9694 8.9698 9.5226 9.5229 9.7979 9.7986 10.7331 10.7348 10.7985 10.8003 k = 0.3947 0.8184-0.4650 ( 6812 PWs) bands (ev): -20.0540 -20.0539 -20.0353 -20.0353 -17.6669 -17.6663 -17.6295 -17.6290 -17.2545 -17.2534 -17.2521 -17.2519 -17.2388 -17.2386 -17.2349 -17.2348 -7.9593 -7.9592 -7.7493 -7.7493 -6.3528 -6.3515 -6.1225 -6.1209 -5.1358 -5.1350 -5.1233 -5.1217 -5.0138 -5.0134 -4.9919 -4.9912 -2.5619 -2.5612 -2.5284 -2.5269 -2.2493 -2.2493 -2.1889 -2.1859 -1.9736 -1.9714 -1.9637 -1.9628 -1.7072 -1.7069 -1.6936 -1.6910 -1.4946 -1.4915 -1.4645 -1.4633 -0.1890 -0.1866 -0.1586 -0.1559 0.0031 0.0052 0.0799 0.0804 0.3434 0.3462 0.5282 0.5298 8.7533 8.7536 9.0011 9.0014 9.4865 9.4867 9.8505 9.8513 10.7259 10.7276 10.8119 10.8138 k = 0.3684 0.8184-0.4650 ( 6812 PWs) bands (ev): -20.0561 -20.0561 -20.0331 -20.0330 -17.6710 -17.6705 -17.6248 -17.6243 -17.2550 -17.2538 -17.2521 -17.2520 -17.2393 -17.2391 -17.2344 -17.2343 -7.9804 -7.9803 -7.7190 -7.7190 -6.3855 -6.3842 -6.0989 -6.0973 -5.1445 -5.1438 -5.1320 -5.1305 -5.0062 -5.0058 -4.9822 -4.9815 -2.5654 -2.5649 -2.5238 -2.5221 -2.2632 -2.2630 -2.1900 -2.1867 -1.9761 -1.9737 -1.9640 -1.9629 -1.6957 -1.6956 -1.6807 -1.6778 -1.4963 -1.4929 -1.4595 -1.4585 -0.1951 -0.1927 -0.1568 -0.1540 -0.0116 -0.0092 0.0836 0.0839 0.3233 0.3263 0.5513 0.5528 8.7267 8.7269 9.0313 9.0316 9.4547 9.4548 9.9044 9.9053 10.7198 10.7214 10.8252 10.8273 k = 0.3421 0.8184-0.4650 ( 6816 PWs) bands (ev): -20.0583 -20.0582 -20.0309 -20.0309 -17.6750 -17.6746 -17.6203 -17.6197 -17.2555 -17.2543 -17.2521 -17.2521 -17.2399 -17.2396 -17.2340 -17.2339 -8.0002 -8.0001 -7.6883 -7.6882 -6.4186 -6.4174 -6.0766 -6.0751 -5.1533 -5.1525 -5.1412 -5.1399 -4.9980 -4.9976 -4.9725 -4.9718 -2.5688 -2.5683 -2.5190 -2.5174 -2.2773 -2.2769 -2.1926 -2.1892 -1.9784 -1.9760 -1.9643 -1.9631 -1.6823 -1.6822 -1.6668 -1.6636 -1.4972 -1.4935 -1.4543 -1.4535 -0.2017 -0.1992 -0.1555 -0.1526 -0.0269 -0.0243 0.0860 0.0862 0.3046 0.3076 0.5737 0.5750 8.7016 8.7018 9.0589 9.0592 9.4280 9.4282 9.9593 9.9604 10.7144 10.7161 10.8380 10.8402 k = 0.3158 0.8184-0.4650 ( 6816 PWs) bands (ev): -20.0603 -20.0602 -20.0288 -20.0288 -17.6788 -17.6784 -17.6158 -17.6153 -17.2560 -17.2549 -17.2522 -17.2521 -17.2404 -17.2401 -17.2337 -17.2335 -8.0186 -8.0185 -7.6571 -7.6571 -6.4519 -6.4508 -6.0558 -6.0543 -5.1620 -5.1612 -5.1506 -5.1494 -4.9895 -4.9891 -4.9630 -4.9623 -2.5719 -2.5716 -2.5143 -2.5126 -2.2914 -2.2909 -2.1966 -2.1931 -1.9806 -1.9782 -1.9646 -1.9633 -1.6676 -1.6674 -1.6524 -1.6490 -1.4973 -1.4932 -1.4491 -1.4484 -0.2086 -0.2062 -0.1546 -0.1515 -0.0425 -0.0397 0.0873 0.0873 0.2872 0.2903 0.5953 0.5965 8.6781 8.6783 9.0824 9.0827 9.4079 9.4080 10.0151 10.0163 10.7095 10.7113 10.8497 10.8520 k = 0.2895 0.8184-0.4650 ( 6812 PWs) bands (ev): -20.0622 -20.0621 -20.0269 -20.0269 -17.6823 -17.6819 -17.6115 -17.6110 -17.2565 -17.2554 -17.2523 -17.2522 -17.2409 -17.2406 -17.2333 -17.2332 -8.0356 -8.0355 -7.6258 -7.6258 -6.4853 -6.4842 -6.0365 -6.0350 -5.1705 -5.1695 -5.1599 -5.1589 -4.9811 -4.9807 -4.9539 -4.9533 -2.5749 -2.5747 -2.5096 -2.5078 -2.3053 -2.3046 -2.2016 -2.1982 -1.9826 -1.9803 -1.9650 -1.9636 -1.6521 -1.6518 -1.6381 -1.6346 -1.4962 -1.4919 -1.4438 -1.4433 -0.2159 -0.2136 -0.1542 -0.1509 -0.0583 -0.0551 0.0875 0.0876 0.2713 0.2744 0.6158 0.6168 8.6562 8.6564 9.1002 9.1005 9.3957 9.3958 10.0715 10.0728 10.7050 10.7067 10.8597 10.8621 k = 0.2632 0.8184-0.4650 ( 6812 PWs) bands (ev): -20.0640 -20.0639 -20.0250 -20.0250 -17.6856 -17.6852 -17.6074 -17.6070 -17.2571 -17.2560 -17.2525 -17.2523 -17.2415 -17.2411 -17.2329 -17.2328 -8.0512 -8.0512 -7.5946 -7.5946 -6.5184 -6.5174 -6.0186 -6.0172 -5.1786 -5.1775 -5.1687 -5.1680 -4.9729 -4.9726 -4.9453 -4.9447 -2.5777 -2.5775 -2.5049 -2.5032 -2.3185 -2.3178 -2.2073 -2.2040 -1.9843 -1.9821 -1.9652 -1.9639 -1.6365 -1.6359 -1.6243 -1.6210 -1.4939 -1.4894 -1.4386 -1.4382 -0.2234 -0.2212 -0.1543 -0.1508 -0.0738 -0.0703 0.0869 0.0871 0.2569 0.2599 0.6351 0.6360 8.6362 8.6363 9.1109 9.1112 9.3925 9.3927 10.1282 10.1296 10.7004 10.7021 10.8672 10.8698 k = 0.2368 0.8184-0.4650 ( 6814 PWs) bands (ev): -20.0656 -20.0656 -20.0233 -20.0233 -17.6886 -17.6883 -17.6036 -17.6032 -17.2576 -17.2565 -17.2527 -17.2524 -17.2419 -17.2416 -17.2326 -17.2325 -8.0654 -8.0654 -7.5638 -7.5637 -6.5511 -6.5502 -6.0023 -6.0010 -5.1863 -5.1851 -5.1770 -5.1765 -4.9651 -4.9649 -4.9373 -4.9367 -2.5802 -2.5802 -2.5003 -2.4986 -2.3310 -2.3303 -2.2134 -2.2103 -1.9858 -1.9838 -1.9654 -1.9642 -1.6216 -1.6204 -1.6112 -1.6085 -1.4901 -1.4855 -1.4334 -1.4332 -0.2309 -0.2288 -0.1553 -0.1515 -0.0884 -0.0846 0.0857 0.0859 0.2441 0.2470 0.6530 0.6539 8.6179 8.6180 9.1145 9.1147 9.3982 9.3984 10.1849 10.1865 10.6955 10.6972 10.8716 10.8744 k = 0.2105 0.8184-0.4650 ( 6804 PWs) bands (ev): -20.0671 -20.0671 -20.0218 -20.0217 -17.6914 -17.6911 -17.6001 -17.5997 -17.2580 -17.2571 -17.2529 -17.2526 -17.2424 -17.2420 -17.2323 -17.2322 -8.0782 -8.0781 -7.5337 -7.5336 -6.5829 -6.5820 -5.9876 -5.9864 -5.1935 -5.1922 -5.1845 -5.1843 -4.9579 -4.9577 -4.9300 -4.9294 -2.5826 -2.5826 -2.4959 -2.4942 -2.3425 -2.3418 -2.2197 -2.2167 -1.9871 -1.9853 -1.9656 -1.9645 -1.6086 -1.6061 -1.5984 -1.5971 -1.4848 -1.4803 -1.4284 -1.4282 -0.2384 -0.2365 -0.1573 -0.1532 -0.1016 -0.0975 0.0840 0.0843 0.2328 0.2355 0.6695 0.6702 8.6014 8.6015 9.1121 9.1123 9.4111 9.4113 10.2414 10.2431 10.6900 10.6917 10.8722 10.8752 k = 0.1842 0.8184-0.4650 ( 6810 PWs) bands (ev): -20.0685 -20.0684 -20.0204 -20.0203 -17.6938 -17.6936 -17.5969 -17.5965 -17.2585 -17.2576 -17.2530 -17.2527 -17.2428 -17.2425 -17.2320 -17.2319 -8.0894 -8.0894 -7.5047 -7.5046 -6.6134 -6.6126 -5.9745 -5.9734 -5.2002 -5.1989 -5.1913 -5.1912 -4.9513 -4.9511 -4.9233 -4.9229 -2.5847 -2.5847 -2.4917 -2.4901 -2.3530 -2.3523 -2.2258 -2.2231 -1.9881 -1.9866 -1.9658 -1.9647 -1.5984 -1.5949 -1.5857 -1.5856 -1.4782 -1.4740 -1.4235 -1.4235 -0.2456 -0.2438 -0.1607 -0.1566 -0.1126 -0.1084 0.0821 0.0823 0.2229 0.2254 0.6843 0.6849 8.5868 8.5869 9.1059 9.1060 9.4286 9.4288 10.2971 10.2991 10.6838 10.6854 10.8685 10.8716 k = 0.1579 0.8184-0.4650 ( 6810 PWs) bands (ev): -20.0697 -20.0696 -20.0191 -20.0191 -17.6960 -17.6957 -17.5940 -17.5937 -17.2589 -17.2581 -17.2532 -17.2529 -17.2432 -17.2429 -17.2318 -17.2317 -8.0992 -8.0992 -7.4773 -7.4772 -6.6421 -6.6414 -5.9630 -5.9620 -5.2062 -5.2049 -5.1972 -5.1971 -4.9454 -4.9452 -4.9175 -4.9171 -2.5866 -2.5866 -2.4878 -2.4864 -2.3623 -2.3616 -2.2316 -2.2292 -1.9890 -1.9877 -1.9659 -1.9650 -1.5909 -1.5873 -1.5738 -1.5733 -1.4707 -1.4670 -1.4190 -1.4190 -0.2523 -0.2507 -0.1656 -0.1618 -0.1205 -0.1167 0.0800 0.0803 0.2145 0.2167 0.6974 0.6979 8.5741 8.5742 9.0976 9.0977 9.4484 9.4487 10.3518 10.3539 10.6770 10.6785 10.8602 10.8634 k = 0.1316 0.8184-0.4650 ( 6810 PWs) bands (ev): -20.0707 -20.0707 -20.0181 -20.0180 -17.6978 -17.6976 -17.5915 -17.5912 -17.2592 -17.2586 -17.2533 -17.2531 -17.2435 -17.2433 -17.2316 -17.2315 -8.1075 -8.1075 -7.4522 -7.4521 -6.6683 -6.6677 -5.9533 -5.9524 -5.2115 -5.2104 -5.2022 -5.2021 -4.9403 -4.9402 -4.9125 -4.9121 -2.5883 -2.5882 -2.4843 -2.4830 -2.3703 -2.3697 -2.2369 -2.2348 -1.9897 -1.9886 -1.9659 -1.9652 -1.5853 -1.5822 -1.5628 -1.5622 -1.4629 -1.4598 -1.4149 -1.4148 -0.2584 -0.2570 -0.1717 -0.1687 -0.1255 -0.1224 0.0780 0.0782 0.2075 0.2094 0.7087 0.7091 8.5633 8.5634 9.0890 9.0890 9.4684 9.4686 10.4048 10.4070 10.6698 10.6711 10.8471 10.8504 k = 0.1053 0.8184-0.4650 ( 6818 PWs) bands (ev): -20.0715 -20.0715 -20.0172 -20.0172 -17.6993 -17.6991 -17.5895 -17.5892 -17.2595 -17.2590 -17.2534 -17.2532 -17.2438 -17.2436 -17.2314 -17.2313 -8.1143 -8.1143 -7.4300 -7.4299 -6.6914 -6.6909 -5.9452 -5.9445 -5.2160 -5.2150 -5.2063 -5.2062 -4.9361 -4.9360 -4.9083 -4.9080 -2.5896 -2.5895 -2.4812 -2.4801 -2.3769 -2.3764 -2.2414 -2.2397 -1.9902 -1.9894 -1.9660 -1.9653 -1.5813 -1.5788 -1.5533 -1.5528 -1.4555 -1.4530 -1.4113 -1.4112 -0.2636 -0.2625 -0.1782 -0.1760 -0.1284 -0.1261 0.0762 0.0764 0.2019 0.2034 0.7180 0.7183 8.5545 8.5545 9.0809 9.0809 9.4869 9.4871 10.4552 10.4574 10.6626 10.6637 10.8297 10.8329 k = 0.0789 0.8184-0.4650 ( 6816 PWs) bands (ev): -20.0722 -20.0722 -20.0165 -20.0165 -17.7005 -17.7003 -17.5878 -17.5876 -17.2597 -17.2593 -17.2535 -17.2533 -17.2440 -17.2438 -17.2313 -17.2312 -8.1196 -8.1196 -7.4115 -7.4114 -6.7106 -6.7102 -5.9389 -5.9384 -5.2195 -5.2187 -5.2095 -5.2093 -4.9327 -4.9326 -4.9050 -4.9048 -2.5907 -2.5906 -2.4786 -2.4778 -2.3820 -2.3817 -2.2451 -2.2438 -1.9906 -1.9900 -1.9660 -1.9655 -1.5785 -1.5767 -1.5457 -1.5452 -1.4490 -1.4472 -1.4083 -1.4082 -0.2678 -0.2670 -0.1842 -0.1826 -0.1300 -0.1284 0.0747 0.0748 0.1975 0.1987 0.7253 0.7256 8.5476 8.5476 9.0741 9.0741 9.5027 9.5028 10.5018 10.5040 10.6561 10.6569 10.8091 10.8121 k = 0.0526 0.8184-0.4650 ( 6814 PWs) bands (ev): -20.0727 -20.0726 -20.0160 -20.0160 -17.7013 -17.7012 -17.5866 -17.5865 -17.2599 -17.2596 -17.2536 -17.2535 -17.2442 -17.2440 -17.2312 -17.2311 -8.1234 -8.1234 -7.3975 -7.3975 -6.7250 -6.7248 -5.9344 -5.9340 -5.2220 -5.2215 -5.2117 -5.2116 -4.9303 -4.9302 -4.9026 -4.9025 -2.5915 -2.5914 -2.4767 -2.4761 -2.3857 -2.3855 -2.2477 -2.2468 -1.9909 -1.9904 -1.9659 -1.9656 -1.5766 -1.5754 -1.5401 -1.5398 -1.4439 -1.4427 -1.4061 -1.4060 -0.2709 -0.2703 -0.1888 -0.1879 -0.1308 -0.1298 0.0736 0.0737 0.1945 0.1953 0.7306 0.7308 8.5426 8.5427 9.0689 9.0689 9.5147 9.5148 10.5423 10.5443 10.6509 10.6515 10.7874 10.7900 k = 0.0263 0.8184-0.4650 ( 6810 PWs) bands (ev): -20.0729 -20.0729 -20.0157 -20.0157 -17.7018 -17.7017 -17.5859 -17.5858 -17.2599 -17.2598 -17.2536 -17.2535 -17.2442 -17.2442 -17.2311 -17.2311 -8.1257 -8.1257 -7.3888 -7.3888 -6.7340 -6.7339 -5.9316 -5.9314 -5.2235 -5.2232 -5.2130 -5.2130 -4.9288 -4.9288 -4.9012 -4.9011 -2.5919 -2.5919 -2.4755 -2.4752 -2.3880 -2.3878 -2.2492 -2.2488 -1.9910 -1.9908 -1.9659 -1.9657 -1.5754 -1.5748 -1.5367 -1.5365 -1.4406 -1.4400 -1.4047 -1.4046 -0.2727 -0.2724 -0.1917 -0.1913 -0.1311 -0.1307 0.0729 0.0729 0.1928 0.1932 0.7338 0.7339 8.5397 8.5397 9.0657 9.0658 9.5222 9.5222 10.5724 10.5737 10.6475 10.6478 10.7693 10.7709 k = 0.0000 0.8184-0.4650 ( 6806 PWs) bands (ev): -20.0730 -20.0730 -20.0156 -20.0156 -17.7019 -17.7019 -17.5856 -17.5856 -17.2599 -17.2599 -17.2536 -17.2536 -17.2442 -17.2442 -17.2311 -17.2311 -8.1264 -8.1264 -7.3858 -7.3858 -6.7370 -6.7370 -5.9306 -5.9306 -5.2239 -5.2239 -5.2134 -5.2134 -4.9283 -4.9283 -4.9007 -4.9007 -2.5921 -2.5921 -2.4750 -2.4750 -2.3886 -2.3886 -2.2496 -2.2496 -1.9909 -1.9909 -1.9658 -1.9658 -1.5748 -1.5748 -1.5355 -1.5355 -1.4393 -1.4393 -1.4042 -1.4042 -0.2732 -0.2732 -0.1926 -0.1926 -0.1311 -0.1311 0.0727 0.0727 0.1924 0.1924 0.7349 0.7349 8.5387 8.5387 9.0647 9.0647 9.5247 9.5247 10.5845 10.5845 10.6465 10.6465 10.7623 10.7623 k = 0.0000 0.8184-0.4650 ( 6806 PWs) bands (ev): -20.0730 -20.0730 -20.0156 -20.0156 -17.7019 -17.7019 -17.5856 -17.5856 -17.2599 -17.2599 -17.2536 -17.2536 -17.2442 -17.2442 -17.2311 -17.2311 -8.1264 -8.1264 -7.3858 -7.3858 -6.7370 -6.7370 -5.9306 -5.9306 -5.2239 -5.2239 -5.2134 -5.2134 -4.9283 -4.9283 -4.9007 -4.9007 -2.5921 -2.5921 -2.4750 -2.4750 -2.3886 -2.3886 -2.2496 -2.2496 -1.9909 -1.9909 -1.9658 -1.9658 -1.5748 -1.5748 -1.5355 -1.5355 -1.4393 -1.4393 -1.4042 -1.4042 -0.2732 -0.2732 -0.1926 -0.1926 -0.1311 -0.1311 0.0727 0.0727 0.1924 0.1924 0.7349 0.7349 8.5387 8.5387 9.0647 9.0647 9.5247 9.5247 10.5845 10.5845 10.6465 10.6465 10.7623 10.7623 k = 0.0000 0.8312-0.4424 ( 6807 PWs) bands (ev): -20.0729 -20.0729 -20.0156 -20.0156 -17.7021 -17.7018 -17.5859 -17.5858 -17.2599 -17.2598 -17.2536 -17.2536 -17.2444 -17.2442 -17.2312 -17.2310 -8.1252 -8.1252 -7.3858 -7.3857 -6.7372 -6.7368 -5.9321 -5.9319 -5.2300 -5.2221 -5.2144 -5.2067 -4.9293 -4.9279 -4.9010 -4.8999 -2.5920 -2.5919 -2.4753 -2.4748 -2.3907 -2.3900 -2.2504 -2.2500 -1.9898 -1.9884 -1.9656 -1.9647 -1.5756 -1.5736 -1.5360 -1.5345 -1.4393 -1.4392 -1.4044 -1.4042 -0.2741 -0.2733 -0.1922 -0.1919 -0.1329 -0.1318 0.0732 0.0742 0.1909 0.1910 0.7338 0.7341 8.5401 8.5402 9.0668 9.0668 9.5249 9.5249 10.5848 10.5856 10.6470 10.6475 10.7633 10.7639 k = 0.0000 0.8441-0.4198 ( 6803 PWs) bands (ev): -20.0724 -20.0724 -20.0156 -20.0155 -17.7022 -17.7016 -17.5868 -17.5866 -17.2599 -17.2598 -17.2537 -17.2536 -17.2446 -17.2442 -17.2313 -17.2311 -8.1216 -8.1215 -7.3858 -7.3855 -6.7373 -6.7364 -5.9363 -5.9358 -5.2356 -5.2269 -5.2071 -5.1988 -4.9307 -4.9281 -4.9007 -4.8987 -2.5917 -2.5915 -2.4757 -2.4747 -2.3959 -2.3947 -2.2525 -2.2517 -1.9855 -1.9826 -1.9636 -1.9617 -1.5760 -1.5719 -1.5362 -1.5332 -1.4393 -1.4390 -1.4049 -1.4044 -0.2758 -0.2742 -0.1907 -0.1903 -0.1370 -0.1349 0.0755 0.0774 0.1868 0.1870 0.7308 0.7313 8.5445 8.5445 9.0730 9.0731 9.5253 9.5254 10.5864 10.5881 10.6488 10.6498 10.7671 10.7683 k = 0.0000 0.8569-0.3972 ( 6804 PWs) bands (ev): -20.0717 -20.0716 -20.0156 -20.0155 -17.7023 -17.7014 -17.5883 -17.5879 -17.2600 -17.2597 -17.2538 -17.2536 -17.2449 -17.2442 -17.2315 -17.2312 -8.1155 -8.1153 -7.3858 -7.3854 -6.7372 -6.7358 -5.9431 -5.9425 -5.2402 -5.2314 -5.1987 -5.1904 -4.9325 -4.9289 -4.8999 -4.8971 -2.5912 -2.5909 -2.4763 -2.4747 -2.4041 -2.4024 -2.2557 -2.2546 -1.9798 -1.9758 -1.9580 -1.9556 -1.5760 -1.5700 -1.5358 -1.5314 -1.4393 -1.4388 -1.4055 -1.4048 -0.2782 -0.2758 -0.1888 -0.1883 -0.1427 -0.1395 0.0791 0.0818 0.1801 0.1805 0.7259 0.7266 8.5517 8.5518 9.0834 9.0835 9.5260 9.5261 10.5893 10.5916 10.6519 10.6532 10.7737 10.7756 k = 0.0000 0.8698-0.3746 ( 6805 PWs) bands (ev): -20.0706 -20.0706 -20.0156 -20.0155 -17.7023 -17.7012 -17.5902 -17.5897 -17.2600 -17.2597 -17.2539 -17.2537 -17.2453 -17.2444 -17.2318 -17.2313 -8.1070 -8.1068 -7.3860 -7.3855 -6.7368 -6.7349 -5.9526 -5.9518 -5.2438 -5.2350 -5.1897 -5.1816 -4.9348 -4.9305 -4.8984 -4.8952 -2.5905 -2.5902 -2.4769 -2.4749 -2.4145 -2.4123 -2.2601 -2.2587 -1.9749 -1.9711 -1.9467 -1.9448 -1.5757 -1.5680 -1.5349 -1.5292 -1.4391 -1.4385 -1.4064 -1.4055 -0.2812 -0.2782 -0.1875 -0.1866 -0.1485 -0.1442 0.0831 0.0864 0.1715 0.1721 0.7192 0.7201 8.5618 8.5619 9.0979 9.0980 9.5270 9.5271 10.5932 10.5959 10.6560 10.6575 10.7833 10.7858 k = 0.0000 0.8826-0.3520 ( 6805 PWs) bands (ev): -20.0693 -20.0693 -20.0156 -20.0155 -17.7023 -17.7009 -17.5927 -17.5920 -17.2601 -17.2597 -17.2540 -17.2538 -17.2457 -17.2446 -17.2321 -17.2315 -8.0962 -8.0959 -7.3866 -7.3860 -6.7357 -6.7333 -5.9647 -5.9637 -5.2464 -5.2375 -5.1804 -5.1724 -4.9374 -4.9327 -4.8964 -4.8930 -2.5897 -2.5892 -2.4777 -2.4751 -2.4265 -2.4240 -2.2655 -2.2638 -1.9714 -1.9681 -1.9305 -1.9292 -1.5752 -1.5659 -1.5334 -1.5265 -1.4390 -1.4382 -1.4075 -1.4063 -0.2848 -0.2813 -0.1888 -0.1871 -0.1520 -0.1468 0.0862 0.0898 0.1620 0.1629 0.7109 0.7120 8.5747 8.5748 9.1164 9.1165 9.5282 9.5284 10.5974 10.6003 10.6608 10.6623 10.7961 10.7993 k = 0.0000 0.8954-0.3294 ( 6806 PWs) bands (ev): -20.0677 -20.0676 -20.0156 -20.0155 -17.7023 -17.7006 -17.5956 -17.5949 -17.2601 -17.2596 -17.2541 -17.2538 -17.2461 -17.2448 -17.2324 -17.2317 -8.0830 -8.0826 -7.3880 -7.3873 -6.7337 -6.7309 -5.9792 -5.9780 -5.2478 -5.2390 -5.1709 -5.1631 -4.9404 -4.9355 -4.8939 -4.8905 -2.5887 -2.5881 -2.4786 -2.4755 -2.4396 -2.4367 -2.2718 -2.2698 -1.9686 -1.9657 -1.9116 -1.9100 -1.5746 -1.5641 -1.5310 -1.5235 -1.4388 -1.4379 -1.4088 -1.4074 -0.2888 -0.2848 -0.1937 -0.1915 -0.1513 -0.1456 0.0862 0.0899 0.1532 0.1549 0.7011 0.7024 8.5902 8.5904 9.1387 9.1389 9.5297 9.5299 10.6012 10.6039 10.6664 10.6674 10.8121 10.8160 k = 0.0000 0.9083-0.3069 ( 6815 PWs) bands (ev): -20.0658 -20.0658 -20.0156 -20.0155 -17.7021 -17.7002 -17.5991 -17.5982 -17.2602 -17.2596 -17.2543 -17.2539 -17.2466 -17.2451 -17.2328 -17.2320 -8.0676 -8.0672 -7.3904 -7.3896 -6.7305 -6.7273 -5.9960 -5.9948 -5.2481 -5.2394 -5.1614 -5.1538 -4.9438 -4.9388 -4.8911 -4.8878 -2.5876 -2.5869 -2.4799 -2.4760 -2.4532 -2.4498 -2.2789 -2.2766 -1.9662 -1.9634 -1.8907 -1.8886 -1.5740 -1.5625 -1.5279 -1.5200 -1.4387 -1.4375 -1.4103 -1.4087 -0.2934 -0.2888 -0.2013 -0.1993 -0.1465 -0.1410 0.0805 0.0842 0.1477 0.1503 0.6901 0.6916 8.6084 8.6085 9.1648 9.1650 9.5314 9.5316 10.6032 10.6054 10.6725 10.6731 10.8314 10.8360 k = 0.0000 0.9211-0.2843 ( 6821 PWs) bands (ev): -20.0637 -20.0637 -20.0157 -20.0156 -17.7019 -17.6997 -17.6029 -17.6019 -17.2603 -17.2597 -17.2544 -17.2541 -17.2471 -17.2454 -17.2332 -17.2323 -8.0500 -8.0495 -7.3942 -7.3933 -6.7257 -6.7222 -6.0151 -6.0137 -5.2473 -5.2388 -5.1520 -5.1446 -4.9476 -4.9426 -4.8880 -4.8848 -2.5865 -2.5857 -2.4819 -2.4770 -2.4664 -2.4621 -2.2866 -2.2841 -1.9639 -1.9613 -1.8685 -1.8659 -1.5733 -1.5614 -1.5242 -1.5162 -1.4386 -1.4371 -1.4120 -1.4101 -0.2984 -0.2933 -0.2102 -0.2085 -0.1394 -0.1341 0.0681 0.0721 0.1463 0.1499 0.6780 0.6797 8.6291 8.6292 9.1945 9.1947 9.5333 9.5335 10.6013 10.6027 10.6790 10.6805 10.8537 10.8591 k = 0.0000 0.9339-0.2617 ( 6825 PWs) bands (ev): -20.0614 -20.0613 -20.0159 -20.0158 -17.7015 -17.6991 -17.6072 -17.6061 -17.2604 -17.2598 -17.2546 -17.2542 -17.2476 -17.2457 -17.2336 -17.2326 -8.0303 -8.0298 -7.3997 -7.3987 -6.7191 -6.7152 -6.0362 -6.0348 -5.2456 -5.2372 -5.1427 -5.1355 -4.9517 -4.9469 -4.8847 -4.8817 -2.5854 -2.5846 -2.4871 -2.4817 -2.4758 -2.4706 -2.2948 -2.2922 -1.9618 -1.9592 -1.8456 -1.8424 -1.5726 -1.5604 -1.5198 -1.5121 -1.4385 -1.4367 -1.4138 -1.4116 -0.3038 -0.2982 -0.2195 -0.2178 -0.1309 -0.1259 0.0508 0.0551 0.1478 0.1519 0.6652 0.6670 8.6521 8.6522 9.2277 9.2279 9.5354 9.5356 10.5927 10.5937 10.6867 10.6896 10.8787 10.8849 k = 0.0000 0.9468-0.2391 ( 6828 PWs) bands (ev): -20.0589 -20.0588 -20.0162 -20.0160 -17.7009 -17.6983 -17.6119 -17.6106 -17.2605 -17.2599 -17.2547 -17.2543 -17.2481 -17.2460 -17.2340 -17.2328 -8.0086 -8.0080 -7.4073 -7.4063 -6.7103 -6.7061 -6.0593 -6.0578 -5.2429 -5.2346 -5.1338 -5.1268 -4.9562 -4.9515 -4.8812 -4.8784 -2.5847 -2.5837 -2.4969 -2.4928 -2.4780 -2.4735 -2.3035 -2.3006 -1.9597 -1.9572 -1.8226 -1.8188 -1.5717 -1.5596 -1.5151 -1.5079 -1.4385 -1.4364 -1.4158 -1.4133 -0.3096 -0.3033 -0.2286 -0.2263 -0.1218 -0.1169 0.0304 0.0354 0.1503 0.1548 0.6520 0.6539 8.6772 8.6774 9.2640 9.2643 9.5376 9.5378 10.5746 10.5759 10.6962 10.7004 10.9057 10.9127 k = 0.0000 0.9596-0.2165 ( 6818 PWs) bands (ev): -20.0562 -20.0561 -20.0165 -20.0163 -17.7002 -17.6974 -17.6169 -17.6154 -17.2607 -17.2601 -17.2548 -17.2543 -17.2486 -17.2462 -17.2343 -17.2331 -7.9851 -7.9844 -7.4172 -7.4162 -6.6989 -6.6945 -6.0842 -6.0826 -5.2394 -5.2313 -5.1252 -5.1184 -4.9610 -4.9565 -4.8777 -4.8751 -2.5843 -2.5833 -2.5078 -2.5039 -2.4788 -2.4742 -2.3124 -2.3094 -1.9577 -1.9553 -1.8000 -1.7956 -1.5706 -1.5587 -1.5103 -1.5035 -1.4387 -1.4362 -1.4178 -1.4151 -0.3154 -0.3085 -0.2373 -0.2341 -0.1128 -0.1077 0.0090 0.0149 0.1525 0.1571 0.6388 0.6408 8.7044 8.7046 9.3034 9.3037 9.5400 9.5402 10.5449 10.5465 10.7072 10.7126 10.9337 10.9415 k = 0.0000 0.9724-0.1939 ( 6816 PWs) bands (ev): -20.0534 -20.0533 -20.0170 -20.0168 -17.6992 -17.6962 -17.6221 -17.6206 -17.2609 -17.2604 -17.2550 -17.2544 -17.2491 -17.2465 -17.2347 -17.2333 -7.9597 -7.9589 -7.4297 -7.4287 -6.6849 -6.6802 -6.1108 -6.1091 -5.2351 -5.2272 -5.1171 -5.1104 -4.9661 -4.9617 -4.8743 -4.8717 -2.5847 -2.5835 -2.5175 -2.5135 -2.4791 -2.4742 -2.3215 -2.3184 -1.9558 -1.9535 -1.7785 -1.7735 -1.5690 -1.5575 -1.5053 -1.4992 -1.4391 -1.4361 -1.4200 -1.4169 -0.3210 -0.3135 -0.2453 -0.2410 -0.1053 -0.0995 -0.0117 -0.0041 0.1537 0.1584 0.6258 0.6278 8.7333 8.7336 9.3455 9.3458 9.5425 9.5428 10.5020 10.5038 10.7195 10.7257 10.9612 10.9695 k = 0.0000 0.9853-0.1713 ( 6810 PWs) bands (ev): -20.0504 -20.0503 -20.0176 -20.0174 -17.6980 -17.6948 -17.6277 -17.6259 -17.2611 -17.2607 -17.2552 -17.2544 -17.2494 -17.2466 -17.2350 -17.2336 -7.9327 -7.9319 -7.4450 -7.4439 -6.6681 -6.6632 -6.1389 -6.1371 -5.2304 -5.2226 -5.1094 -5.1030 -4.9713 -4.9672 -4.8709 -4.8684 -2.5862 -2.5849 -2.5253 -2.5212 -2.4789 -2.4738 -2.3307 -2.3274 -1.9540 -1.9519 -1.7588 -1.7530 -1.5667 -1.5557 -1.5004 -1.4950 -1.4399 -1.4363 -1.4223 -1.4187 -0.3261 -0.3180 -0.2528 -0.2474 -0.1020 -0.0945 -0.0282 -0.0185 0.1532 0.1579 0.6135 0.6155 8.7637 8.7640 9.3899 9.3901 9.5454 9.5456 10.4456 10.4474 10.7325 10.7394 10.9858 10.9940 k = 0.0000 0.9981-0.1487 ( 6810 PWs) bands (ev): -20.0474 -20.0472 -20.0184 -20.0182 -17.6964 -17.6931 -17.6333 -17.6315 -17.2614 -17.2610 -17.2554 -17.2544 -17.2497 -17.2467 -17.2353 -17.2337 -7.9042 -7.9033 -7.4630 -7.4620 -6.6485 -6.6434 -6.1683 -6.1664 -5.2252 -5.2176 -5.1023 -5.0962 -4.9767 -4.9729 -4.8677 -4.8652 -2.5888 -2.5875 -2.5307 -2.5267 -2.4783 -2.4731 -2.3398 -2.3364 -1.9525 -1.9504 -1.7415 -1.7348 -1.5634 -1.5530 -1.4956 -1.4908 -1.4409 -1.4367 -1.4246 -1.4205 -0.3302 -0.3217 -0.2599 -0.2535 -0.1062 -0.0973 -0.0352 -0.0241 0.1508 0.1555 0.6022 0.6042 8.7952 8.7955 9.4357 9.4360 9.5491 9.5494 10.3771 10.3789 10.7456 10.7531 11.0045 11.0109 k = 0.0000 1.0110-0.1261 ( 6812 PWs) bands (ev): -20.0443 -20.0441 -20.0194 -20.0191 -17.6946 -17.6911 -17.6391 -17.6371 -17.2617 -17.2614 -17.2556 -17.2544 -17.2499 -17.2467 -17.2356 -17.2338 -7.8743 -7.8734 -7.4839 -7.4829 -6.6261 -6.6209 -6.1989 -6.1969 -5.2199 -5.2123 -5.0958 -5.0900 -4.9822 -4.9786 -4.8648 -4.8622 -2.5924 -2.5913 -2.5338 -2.5298 -2.4773 -2.4720 -2.3487 -2.3452 -1.9511 -1.9492 -1.7273 -1.7195 -1.5590 -1.5491 -1.4910 -1.4866 -1.4423 -1.4375 -1.4269 -1.4223 -0.3332 -0.3244 -0.2669 -0.2596 -0.1176 -0.1088 -0.0311 -0.0206 0.1462 0.1507 0.5922 0.5942 8.8273 8.8276 9.4808 9.4811 9.5556 9.5559 10.2993 10.3010 10.7585 10.7664 11.0141 11.0171 k = 0.0000 1.0238-0.1035 ( 6819 PWs) bands (ev): -20.0412 -20.0410 -20.0205 -20.0203 -17.6924 -17.6887 -17.6449 -17.6428 -17.2621 -17.2618 -17.2559 -17.2544 -17.2500 -17.2467 -17.2358 -17.2339 -7.8433 -7.8423 -7.5075 -7.5066 -6.6010 -6.5957 -6.2306 -6.2284 -5.2145 -5.2071 -5.0900 -5.0845 -4.9876 -4.9843 -4.8621 -4.8594 -2.5967 -2.5957 -2.5348 -2.5310 -2.4760 -2.4707 -2.3572 -2.3536 -1.9500 -1.9482 -1.7166 -1.7078 -1.5534 -1.5439 -1.4864 -1.4823 -1.4442 -1.4388 -1.4290 -1.4239 -0.3351 -0.3259 -0.2737 -0.2658 -0.1321 -0.1236 -0.0206 -0.0111 0.1391 0.1435 0.5838 0.5856 8.8595 8.8598 9.5169 9.5171 9.5728 9.5733 10.2153 10.2169 10.7705 10.7788 11.0126 11.0178 k = 0.0000 1.0366-0.0809 ( 6813 PWs) bands (ev): -20.0382 -20.0380 -20.0219 -20.0216 -17.6899 -17.6861 -17.6507 -17.6484 -17.2625 -17.2622 -17.2562 -17.2544 -17.2500 -17.2465 -17.2359 -17.2339 -7.8113 -7.8103 -7.5338 -7.5329 -6.5734 -6.5681 -6.2631 -6.2607 -5.2094 -5.2020 -5.0847 -5.0797 -4.9928 -4.9899 -4.8598 -4.8570 -2.6011 -2.6003 -2.5342 -2.5307 -2.4744 -2.4693 -2.3651 -2.3614 -1.9492 -1.9476 -1.7097 -1.6998 -1.5469 -1.5374 -1.4820 -1.4780 -1.4463 -1.4406 -1.4309 -1.4255 -0.3360 -0.3267 -0.2798 -0.2719 -0.1463 -0.1379 -0.0070 0.0016 0.1296 0.1339 0.5771 0.5788 8.8909 8.8911 9.5328 9.5330 9.6114 9.6119 10.1284 10.1299 10.7813 10.7899 11.0078 11.0159 k = 0.0000 1.0495-0.0583 ( 6815 PWs) bands (ev): -20.0353 -20.0351 -20.0233 -20.0231 -17.6871 -17.6831 -17.6563 -17.6538 -17.2629 -17.2625 -17.2565 -17.2545 -17.2499 -17.2463 -17.2360 -17.2338 -7.7786 -7.7775 -7.5625 -7.5617 -6.5436 -6.5382 -6.2963 -6.2937 -5.2047 -5.1973 -5.0802 -5.0757 -4.9976 -4.9952 -4.8580 -4.8551 -2.6050 -2.6043 -2.5325 -2.5293 -2.4728 -2.4679 -2.3721 -2.3684 -1.9488 -1.9473 -1.7064 -1.6956 -1.5400 -1.5302 -1.4776 -1.4735 -1.4488 -1.4428 -1.4325 -1.4270 -0.3368 -0.3275 -0.2840 -0.2771 -0.1582 -0.1500 0.0082 0.0163 0.1177 0.1218 0.5722 0.5737 8.9203 8.9205 9.5379 9.5381 9.6617 9.6622 10.0418 10.0431 10.7903 10.7992 11.0028 11.0124 k = 0.0000 1.0623-0.0357 ( 6814 PWs) bands (ev): -20.0328 -20.0325 -20.0248 -20.0245 -17.6841 -17.6799 -17.6614 -17.6588 -17.2634 -17.2629 -17.2568 -17.2545 -17.2497 -17.2460 -17.2360 -17.2337 -7.7454 -7.7442 -7.5936 -7.5927 -6.5118 -6.5063 -6.3299 -6.3270 -5.2007 -5.1933 -5.0765 -5.0724 -5.0020 -4.9999 -4.8566 -4.8536 -2.6082 -2.6076 -2.5300 -2.5271 -2.4712 -2.4668 -2.3777 -2.3740 -1.9489 -1.9475 -1.7062 -1.6947 -1.5332 -1.5230 -1.4733 -1.4690 -1.4516 -1.4455 -1.4336 -1.4284 -0.3388 -0.3297 -0.2845 -0.2795 -0.1673 -0.1593 0.0245 0.0322 0.1036 0.1075 0.5691 0.5704 8.9462 8.9464 9.5394 9.5396 9.7149 9.7154 9.9592 9.9602 10.7971 10.8062 10.9967 11.0062 k = 0.0000 1.0751-0.0132 ( 6805 PWs) bands (ev): -20.0314 -20.0311 -20.0255 -20.0252 -17.6815 -17.6772 -17.6654 -17.6627 -17.2638 -17.2632 -17.2571 -17.2546 -17.2493 -17.2457 -17.2359 -17.2335 -7.7121 -7.7109 -7.6265 -7.6257 -6.4783 -6.4728 -6.3635 -6.3604 -5.1978 -5.1901 -5.0737 -5.0700 -5.0057 -5.0039 -4.8558 -4.8527 -2.6103 -2.6097 -2.5270 -2.5244 -2.4702 -2.4664 -2.3814 -2.3779 -1.9497 -1.9483 -1.7086 -1.6966 -1.5270 -1.5165 -1.4691 -1.4650 -1.4544 -1.4484 -1.4341 -1.4295 -0.3428 -0.3337 -0.2804 -0.2772 -0.1736 -0.1659 0.0413 0.0491 0.0878 0.0912 0.5676 0.5688 8.9662 8.9664 9.5393 9.5395 9.7644 9.7651 9.8883 9.8890 10.8014 10.8105 10.9878 10.9959 k = 0.0000 1.0880 0.0094 ( 6809 PWs) bands (ev): -20.0323 -20.0321 -20.0243 -20.0240 -17.6808 -17.6770 -17.6664 -17.6638 -17.2643 -17.2635 -17.2574 -17.2547 -17.2489 -17.2453 -17.2358 -17.2333 -7.6819 -7.6809 -7.6586 -7.6573 -6.4443 -6.4387 -6.3962 -6.3927 -5.1960 -5.1882 -5.0721 -5.0683 -5.0087 -5.0067 -4.8556 -4.8524 -2.6111 -2.6105 -2.5237 -2.5212 -2.4700 -2.4668 -2.3829 -2.3796 -1.9513 -1.9498 -1.7129 -1.7007 -1.5217 -1.5112 -1.4662 -1.4619 -1.4572 -1.4512 -1.4340 -1.4303 -0.3481 -0.3388 -0.2722 -0.2694 -0.1772 -0.1698 0.0563 0.0654 0.0724 0.0747 0.5676 0.5686 8.9774 8.9775 9.5380 9.5382 9.7754 9.7765 9.8668 9.8669 10.8027 10.8119 10.9763 10.9831 k = 0.5000 0.5489 0.9394 ( 6834 PWs) bands (ev): -20.0281 -20.0281 -20.0278 -20.0278 -17.6793 -17.6793 -17.6745 -17.6745 -17.2570 -17.2570 -17.2548 -17.2548 -17.2414 -17.2414 -17.2380 -17.2380 -7.6990 -7.6990 -7.6958 -7.6958 -6.3703 -6.3703 -6.3634 -6.3634 -5.1159 -5.1159 -5.1126 -5.1126 -4.9717 -4.9717 -4.9666 -4.9666 -2.5247 -2.5247 -2.5162 -2.5162 -2.4086 -2.4086 -2.3983 -2.3983 -1.8345 -1.8345 -1.8308 -1.8308 -1.7158 -1.7158 -1.7097 -1.7097 -1.4081 -1.4081 -1.3999 -1.3999 -0.2793 -0.2793 -0.2734 -0.2734 0.1187 0.1187 0.1296 0.1296 0.2319 0.2319 0.2418 0.2418 9.2002 9.2002 9.2026 9.2026 9.9722 9.9722 9.9759 9.9759 10.3948 10.3948 10.4005 10.4005 k = 0.5000 0.5227 0.9394 ( 6838 PWs) bands (ev): -20.0282 -20.0282 -20.0279 -20.0279 -17.6789 -17.6789 -17.6742 -17.6742 -17.2570 -17.2570 -17.2547 -17.2547 -17.2417 -17.2417 -17.2383 -17.2383 -7.6981 -7.6981 -7.6950 -7.6950 -6.3704 -6.3704 -6.3635 -6.3635 -5.1162 -5.1162 -5.1130 -5.1130 -4.9725 -4.9725 -4.9674 -4.9674 -2.5244 -2.5244 -2.5160 -2.5160 -2.4068 -2.4068 -2.3967 -2.3967 -1.8323 -1.8323 -1.8285 -1.8285 -1.7180 -1.7180 -1.7120 -1.7120 -1.4088 -1.4088 -1.4005 -1.4005 -0.2805 -0.2805 -0.2746 -0.2746 0.1186 0.1186 0.1293 0.1293 0.2310 0.2310 0.2408 0.2408 9.1954 9.1954 9.1978 9.1978 9.9740 9.9740 9.9775 9.9775 10.3997 10.3997 10.4053 10.4053 k = 0.5000 0.4966 0.9394 ( 6834 PWs) bands (ev): -20.0286 -20.0286 -20.0282 -20.0282 -17.6781 -17.6781 -17.6734 -17.6734 -17.2569 -17.2569 -17.2546 -17.2546 -17.2420 -17.2420 -17.2385 -17.2385 -7.6997 -7.6997 -7.6966 -7.6966 -6.3684 -6.3684 -6.3616 -6.3616 -5.1169 -5.1169 -5.1137 -5.1137 -4.9738 -4.9738 -4.9689 -4.9689 -2.5238 -2.5238 -2.5156 -2.5156 -2.4037 -2.4037 -2.3938 -2.3938 -1.8307 -1.8307 -1.8269 -1.8269 -1.7204 -1.7204 -1.7145 -1.7145 -1.4109 -1.4109 -1.4026 -1.4026 -0.2797 -0.2797 -0.2737 -0.2737 0.1180 0.1180 0.1281 0.1281 0.2320 0.2320 0.2415 0.2415 9.1845 9.1845 9.1869 9.1869 9.9703 9.9703 9.9736 9.9736 10.4145 10.4145 10.4198 10.4198 k = 0.5000 0.4704 0.9394 ( 6836 PWs) bands (ev): -20.0292 -20.0292 -20.0288 -20.0288 -17.6770 -17.6770 -17.6722 -17.6722 -17.2568 -17.2568 -17.2546 -17.2546 -17.2422 -17.2422 -17.2386 -17.2386 -7.7036 -7.7036 -7.7006 -7.7006 -6.3645 -6.3645 -6.3577 -6.3577 -5.1177 -5.1177 -5.1145 -5.1145 -4.9757 -4.9757 -4.9708 -4.9708 -2.5231 -2.5231 -2.5153 -2.5153 -2.3990 -2.3990 -2.3895 -2.3895 -1.8297 -1.8297 -1.8259 -1.8259 -1.7231 -1.7231 -1.7171 -1.7171 -1.4143 -1.4143 -1.4061 -1.4061 -0.2769 -0.2769 -0.2710 -0.2710 0.1166 0.1166 0.1259 0.1259 0.2351 0.2351 0.2441 0.2441 9.1690 9.1690 9.1713 9.1713 9.9601 9.9601 9.9630 9.9630 10.4386 10.4386 10.4435 10.4435 k = 0.5000 0.4443 0.9394 ( 6828 PWs) bands (ev): -20.0299 -20.0299 -20.0295 -20.0295 -17.6754 -17.6754 -17.6708 -17.6708 -17.2567 -17.2567 -17.2545 -17.2545 -17.2423 -17.2423 -17.2387 -17.2387 -7.7095 -7.7095 -7.7065 -7.7065 -6.3588 -6.3588 -6.3521 -6.3521 -5.1186 -5.1186 -5.1154 -5.1154 -4.9779 -4.9779 -4.9732 -4.9732 -2.5224 -2.5224 -2.5151 -2.5151 -2.3927 -2.3927 -2.3837 -2.3837 -1.8295 -1.8295 -1.8255 -1.8255 -1.7259 -1.7259 -1.7199 -1.7199 -1.4189 -1.4189 -1.4108 -1.4108 -0.2724 -0.2724 -0.2665 -0.2665 0.1145 0.1145 0.1228 0.1228 0.2404 0.2404 0.2486 0.2486 9.1502 9.1502 9.1524 9.1524 9.9439 9.9439 9.9464 9.9464 10.4701 10.4701 10.4746 10.4746 k = 0.5000 0.4182 0.9394 ( 6822 PWs) bands (ev): -20.0308 -20.0308 -20.0304 -20.0304 -17.6737 -17.6737 -17.6691 -17.6691 -17.2566 -17.2566 -17.2544 -17.2544 -17.2424 -17.2424 -17.2388 -17.2388 -7.7171 -7.7171 -7.7142 -7.7142 -6.3517 -6.3517 -6.3451 -6.3451 -5.1197 -5.1197 -5.1165 -5.1165 -4.9806 -4.9806 -4.9760 -4.9760 -2.5219 -2.5219 -2.5151 -2.5151 -2.3847 -2.3847 -2.3764 -2.3764 -1.8301 -1.8301 -1.8260 -1.8260 -1.7288 -1.7288 -1.7227 -1.7227 -1.4246 -1.4246 -1.4166 -1.4166 -0.2666 -0.2666 -0.2607 -0.2607 0.1116 0.1116 0.1187 0.1187 0.2475 0.2475 0.2550 0.2550 9.1290 9.1290 9.1312 9.1312 9.9229 9.9229 9.9250 9.9250 10.5064 10.5064 10.5107 10.5107 k = 0.5000 0.3920 0.9394 ( 6816 PWs) bands (ev): -20.0318 -20.0318 -20.0315 -20.0315 -17.6716 -17.6716 -17.6672 -17.6672 -17.2565 -17.2565 -17.2542 -17.2542 -17.2425 -17.2425 -17.2388 -17.2388 -7.7260 -7.7260 -7.7233 -7.7233 -6.3433 -6.3433 -6.3369 -6.3369 -5.1208 -5.1208 -5.1175 -5.1175 -4.9836 -4.9836 -4.9791 -4.9791 -2.5216 -2.5216 -2.5154 -2.5154 -2.3753 -2.3753 -2.3676 -2.3676 -1.8318 -1.8318 -1.8274 -1.8274 -1.7317 -1.7317 -1.7255 -1.7255 -1.4311 -1.4311 -1.4232 -1.4232 -0.2595 -0.2595 -0.2537 -0.2537 0.1079 0.1079 0.1139 0.1139 0.2564 0.2564 0.2631 0.2631 9.1064 9.1064 9.1085 9.1085 9.8986 9.8986 9.9005 9.9005 10.5451 10.5451 10.5493 10.5493 k = 0.5000 0.3659 0.9394 ( 6812 PWs) bands (ev): -20.0329 -20.0329 -20.0326 -20.0326 -17.6695 -17.6695 -17.6652 -17.6652 -17.2563 -17.2563 -17.2541 -17.2541 -17.2425 -17.2425 -17.2388 -17.2388 -7.7360 -7.7360 -7.7334 -7.7334 -6.3339 -6.3339 -6.3278 -6.3278 -5.1220 -5.1220 -5.1186 -5.1186 -4.9869 -4.9869 -4.9825 -4.9825 -2.5215 -2.5215 -2.5160 -2.5160 -2.3643 -2.3643 -2.3574 -2.3574 -1.8346 -1.8346 -1.8300 -1.8300 -1.7346 -1.7346 -1.7282 -1.7282 -1.4381 -1.4381 -1.4305 -1.4305 -0.2516 -0.2516 -0.2459 -0.2459 0.1036 0.1036 0.1085 0.1085 0.2666 0.2666 0.2728 0.2728 9.0831 9.0831 9.0851 9.0851 9.8724 9.8724 9.8740 9.8740 10.5841 10.5841 10.5882 10.5882 k = 0.5000 0.3398 0.9394 ( 6810 PWs) bands (ev): -20.0341 -20.0341 -20.0338 -20.0338 -17.6672 -17.6672 -17.6630 -17.6630 -17.2561 -17.2561 -17.2540 -17.2540 -17.2424 -17.2424 -17.2388 -17.2388 -7.7468 -7.7468 -7.7444 -7.7444 -6.3239 -6.3239 -6.3180 -6.3180 -5.1231 -5.1231 -5.1197 -5.1197 -4.9905 -4.9905 -4.9862 -4.9862 -2.5217 -2.5217 -2.5168 -2.5168 -2.3521 -2.3521 -2.3458 -2.3458 -1.8386 -1.8386 -1.8338 -1.8338 -1.7373 -1.7373 -1.7307 -1.7307 -1.4456 -1.4456 -1.4382 -1.4382 -0.2431 -0.2431 -0.2375 -0.2375 0.0987 0.0987 0.1027 0.1027 0.2779 0.2779 0.2836 0.2836 9.0595 9.0595 9.0614 9.0614 9.8452 9.8452 9.8467 9.8467 10.6216 10.6216 10.6257 10.6257 k = 0.5000 0.3136 0.9394 ( 6808 PWs) bands (ev): -20.0353 -20.0353 -20.0350 -20.0350 -17.6648 -17.6648 -17.6608 -17.6608 -17.2560 -17.2560 -17.2539 -17.2539 -17.2423 -17.2423 -17.2387 -17.2387 -7.7580 -7.7580 -7.7557 -7.7557 -6.3134 -6.3134 -6.3078 -6.3078 -5.1242 -5.1242 -5.1207 -5.1207 -4.9942 -4.9942 -4.9900 -4.9900 -2.5221 -2.5221 -2.5178 -2.5178 -2.3388 -2.3388 -2.3331 -2.3331 -1.8440 -1.8440 -1.8392 -1.8392 -1.7396 -1.7396 -1.7330 -1.7330 -1.4531 -1.4531 -1.4460 -1.4460 -0.2342 -0.2342 -0.2287 -0.2287 0.0935 0.0935 0.0967 0.0967 0.2901 0.2901 0.2953 0.2953 9.0362 9.0362 9.0380 9.0380 9.8180 9.8180 9.8194 9.8194 10.6565 10.6565 10.6606 10.6606 k = 0.5000 0.2875 0.9394 ( 6804 PWs) bands (ev): -20.0366 -20.0366 -20.0363 -20.0363 -17.6624 -17.6624 -17.6586 -17.6586 -17.2558 -17.2558 -17.2538 -17.2538 -17.2422 -17.2422 -17.2387 -17.2387 -7.7694 -7.7694 -7.7673 -7.7673 -6.3027 -6.3027 -6.2974 -6.2974 -5.1252 -5.1252 -5.1217 -5.1217 -4.9980 -4.9980 -4.9940 -4.9940 -2.5227 -2.5227 -2.5189 -2.5189 -2.3244 -2.3244 -2.3193 -2.3193 -1.8508 -1.8508 -1.8460 -1.8460 -1.7415 -1.7415 -1.7349 -1.7349 -1.4605 -1.4605 -1.4538 -1.4538 -0.2252 -0.2252 -0.2199 -0.2199 0.0880 0.0880 0.0906 0.0906 0.3027 0.3027 0.3076 0.3076 9.0136 9.0136 9.0153 9.0153 9.7913 9.7913 9.7926 9.7926 10.6880 10.6880 10.6921 10.6921 k = 0.5000 0.2614 0.9394 ( 6802 PWs) bands (ev): -20.0378 -20.0378 -20.0375 -20.0375 -17.6600 -17.6600 -17.6565 -17.6565 -17.2556 -17.2556 -17.2537 -17.2537 -17.2420 -17.2420 -17.2386 -17.2386 -7.7807 -7.7807 -7.7788 -7.7788 -6.2921 -6.2921 -6.2871 -6.2871 -5.1261 -5.1261 -5.1226 -5.1226 -5.0018 -5.0018 -4.9980 -4.9980 -2.5234 -2.5234 -2.5201 -2.5201 -2.3093 -2.3093 -2.3047 -2.3047 -1.8590 -1.8590 -1.8544 -1.8544 -1.7428 -1.7428 -1.7365 -1.7365 -1.4677 -1.4677 -1.4613 -1.4613 -0.2162 -0.2162 -0.2111 -0.2111 0.0825 0.0825 0.0846 0.0846 0.3155 0.3155 0.3202 0.3202 8.9919 8.9919 8.9935 8.9935 9.7658 9.7658 9.7670 9.7670 10.7157 10.7157 10.7198 10.7198 k = 0.5000 0.2352 0.9394 ( 6804 PWs) bands (ev): -20.0390 -20.0390 -20.0387 -20.0387 -17.6577 -17.6577 -17.6544 -17.6544 -17.2554 -17.2554 -17.2536 -17.2536 -17.2418 -17.2418 -17.2385 -17.2385 -7.7917 -7.7917 -7.7899 -7.7899 -6.2818 -6.2818 -6.2772 -6.2772 -5.1268 -5.1268 -5.1234 -5.1234 -5.0055 -5.0055 -5.0019 -5.0019 -2.5242 -2.5242 -2.5213 -2.5213 -2.2936 -2.2936 -2.2895 -2.2895 -1.8686 -1.8686 -1.8642 -1.8642 -1.7438 -1.7438 -1.7378 -1.7378 -1.4744 -1.4744 -1.4684 -1.4684 -0.2076 -0.2076 -0.2027 -0.2027 0.0769 0.0769 0.0787 0.0787 0.3283 0.3283 0.3327 0.3327 8.9715 8.9715 8.9730 8.9730 9.7417 9.7417 9.7428 9.7428 10.7395 10.7395 10.7435 10.7435 k = 0.5000 0.2091 0.9394 ( 6804 PWs) bands (ev): -20.0401 -20.0401 -20.0399 -20.0399 -17.6555 -17.6555 -17.6525 -17.6525 -17.2552 -17.2552 -17.2536 -17.2536 -17.2415 -17.2415 -17.2385 -17.2385 -7.8020 -7.8020 -7.8005 -7.8005 -6.2719 -6.2719 -6.2677 -6.2677 -5.1275 -5.1275 -5.1242 -5.1242 -5.0092 -5.0092 -5.0057 -5.0057 -2.5251 -2.5251 -2.5225 -2.5225 -2.2776 -2.2776 -2.2739 -2.2739 -1.8792 -1.8792 -1.8752 -1.8752 -1.7443 -1.7443 -1.7387 -1.7387 -1.4805 -1.4805 -1.4750 -1.4750 -0.1993 -0.1993 -0.1946 -0.1946 0.0714 0.0714 0.0731 0.0731 0.3406 0.3406 0.3448 0.3448 8.9527 8.9527 8.9540 8.9540 9.7195 9.7195 9.7205 9.7205 10.7597 10.7597 10.7635 10.7635 k = 0.5000 0.1830 0.9394 ( 6798 PWs) bands (ev): -20.0412 -20.0412 -20.0410 -20.0410 -17.6534 -17.6534 -17.6508 -17.6508 -17.2550 -17.2550 -17.2535 -17.2535 -17.2413 -17.2413 -17.2384 -17.2384 -7.8117 -7.8117 -7.8103 -7.8103 -6.2628 -6.2628 -6.2589 -6.2589 -5.1279 -5.1279 -5.1248 -5.1248 -5.0126 -5.0126 -5.0094 -5.0094 -2.5259 -2.5259 -2.5236 -2.5236 -2.2616 -2.2616 -2.2582 -2.2582 -1.8907 -1.8907 -1.8871 -1.8871 -1.7444 -1.7444 -1.7394 -1.7394 -1.4860 -1.4860 -1.4809 -1.4809 -0.1916 -0.1916 -0.1871 -0.1871 0.0661 0.0661 0.0677 0.0677 0.3523 0.3523 0.3563 0.3563 8.9355 8.9355 8.9367 8.9367 9.6994 9.6994 9.7004 9.7004 10.7765 10.7765 10.7801 10.7801 k = 0.5000 0.1568 0.9394 ( 6802 PWs) bands (ev): -20.0421 -20.0421 -20.0419 -20.0419 -17.6516 -17.6516 -17.6492 -17.6492 -17.2549 -17.2549 -17.2535 -17.2535 -17.2410 -17.2410 -17.2384 -17.2384 -7.8203 -7.8203 -7.8192 -7.8192 -6.2545 -6.2545 -6.2510 -6.2510 -5.1283 -5.1283 -5.1254 -5.1254 -5.0157 -5.0157 -5.0128 -5.0128 -2.5267 -2.5267 -2.5246 -2.5246 -2.2458 -2.2458 -2.2427 -2.2427 -1.9027 -1.9027 -1.8994 -1.8994 -1.7443 -1.7443 -1.7399 -1.7399 -1.4908 -1.4908 -1.4862 -1.4862 -0.1846 -0.1846 -0.1803 -0.1803 0.0612 0.0612 0.0628 0.0628 0.3631 0.3631 0.3668 0.3668 8.9202 8.9202 8.9213 8.9213 9.6816 9.6816 9.6825 9.6825 10.7902 10.7902 10.7935 10.7935 k = 0.5000 0.1307 0.9394 ( 6804 PWs) bands (ev): -20.0429 -20.0429 -20.0428 -20.0428 -17.6499 -17.6499 -17.6479 -17.6479 -17.2547 -17.2547 -17.2535 -17.2535 -17.2407 -17.2407 -17.2383 -17.2383 -7.8279 -7.8279 -7.8269 -7.8269 -6.2471 -6.2471 -6.2440 -6.2440 -5.1284 -5.1284 -5.1259 -5.1259 -5.0185 -5.0185 -5.0159 -5.0159 -2.5274 -2.5274 -2.5255 -2.5255 -2.2306 -2.2306 -2.2279 -2.2279 -1.9147 -1.9147 -1.9119 -1.9119 -1.7441 -1.7441 -1.7402 -1.7402 -1.4948 -1.4948 -1.4907 -1.4907 -0.1784 -0.1784 -0.1744 -0.1744 0.0568 0.0568 0.0584 0.0584 0.3726 0.3726 0.3761 0.3761 8.9070 8.9070 8.9079 8.9079 9.6663 9.6663 9.6671 9.6671 10.8012 10.8012 10.8043 10.8043 k = 0.5000 0.1045 0.9394 ( 6812 PWs) bands (ev): -20.0436 -20.0436 -20.0435 -20.0435 -17.6485 -17.6485 -17.6468 -17.6468 -17.2546 -17.2546 -17.2535 -17.2535 -17.2405 -17.2405 -17.2383 -17.2383 -7.8343 -7.8343 -7.8335 -7.8335 -6.2409 -6.2409 -6.2382 -6.2382 -5.1285 -5.1285 -5.1264 -5.1264 -5.0209 -5.0209 -5.0185 -5.0185 -2.5280 -2.5280 -2.5263 -2.5263 -2.2167 -2.2167 -2.2142 -2.2142 -1.9261 -1.9261 -1.9237 -1.9237 -1.7437 -1.7437 -1.7405 -1.7405 -1.4980 -1.4980 -1.4944 -1.4944 -0.1731 -0.1731 -0.1693 -0.1693 0.0531 0.0531 0.0546 0.0546 0.3807 0.3807 0.3841 0.3841 8.8961 8.8961 8.8968 8.8968 9.6537 9.6537 9.6544 9.6544 10.8099 10.8099 10.8126 10.8126 k = 0.5000 0.0784 0.9394 ( 6818 PWs) bands (ev): -20.0442 -20.0442 -20.0441 -20.0441 -17.6473 -17.6473 -17.6460 -17.6460 -17.2544 -17.2544 -17.2535 -17.2535 -17.2402 -17.2402 -17.2383 -17.2383 -7.8393 -7.8393 -7.8387 -7.8387 -6.2360 -6.2360 -6.2336 -6.2336 -5.1285 -5.1285 -5.1268 -5.1268 -5.0228 -5.0228 -5.0207 -5.0207 -2.5285 -2.5285 -2.5270 -2.5270 -2.2046 -2.2046 -2.2024 -2.2024 -1.9362 -1.9362 -1.9343 -1.9343 -1.7433 -1.7433 -1.7407 -1.7407 -1.5005 -1.5005 -1.4973 -1.4973 -0.1689 -0.1689 -0.1653 -0.1653 0.0500 0.0500 0.0515 0.0515 0.3872 0.3872 0.3905 0.3905 8.8874 8.8874 8.8881 8.8881 9.6437 9.6437 9.6443 9.6443 10.8164 10.8164 10.8188 10.8188 k = 0.5000 0.0523 0.9394 ( 6816 PWs) bands (ev): -20.0446 -20.0446 -20.0445 -20.0445 -17.6464 -17.6464 -17.6454 -17.6454 -17.2543 -17.2543 -17.2535 -17.2535 -17.2401 -17.2401 -17.2383 -17.2383 -7.8429 -7.8429 -7.8425 -7.8425 -6.2324 -6.2324 -6.2303 -6.2303 -5.1283 -5.1283 -5.1272 -5.1272 -5.0241 -5.0241 -5.0223 -5.0223 -2.5288 -2.5288 -2.5274 -2.5274 -2.1951 -2.1951 -2.1932 -2.1932 -1.9443 -1.9443 -1.9428 -1.9428 -1.7430 -1.7430 -1.7409 -1.7409 -1.5022 -1.5022 -1.4994 -1.4994 -0.1658 -0.1658 -0.1623 -0.1623 0.0477 0.0477 0.0492 0.0492 0.3920 0.3920 0.3952 0.3952 8.8812 8.8812 8.8817 8.8817 9.6365 9.6365 9.6371 9.6371 10.8209 10.8209 10.8231 10.8231 k = 0.5000 0.0261 0.9394 ( 6822 PWs) bands (ev): -20.0448 -20.0448 -20.0448 -20.0448 -17.6458 -17.6458 -17.6451 -17.6451 -17.2543 -17.2543 -17.2536 -17.2536 -17.2399 -17.2399 -17.2384 -17.2384 -7.8451 -7.8451 -7.8449 -7.8449 -6.2302 -6.2302 -6.2283 -6.2283 -5.1281 -5.1281 -5.1275 -5.1275 -5.0249 -5.0249 -5.0234 -5.0234 -2.5290 -2.5290 -2.5277 -2.5277 -2.1889 -2.1889 -2.1872 -2.1872 -1.9494 -1.9494 -1.9485 -1.9485 -1.7427 -1.7427 -1.7410 -1.7410 -1.5033 -1.5033 -1.5007 -1.5007 -0.1638 -0.1638 -0.1605 -0.1605 0.0464 0.0464 0.0478 0.0478 0.3949 0.3949 0.3980 0.3980 8.8774 8.8774 8.8779 8.8779 9.6322 9.6322 9.6328 9.6328 10.8235 10.8235 10.8256 10.8256 k = 0.5000-0.0000 0.9394 ( 6824 PWs) bands (ev): -20.0449 -20.0449 -20.0448 -20.0448 -17.6456 -17.6456 -17.6450 -17.6450 -17.2542 -17.2542 -17.2536 -17.2536 -17.2399 -17.2399 -17.2384 -17.2384 -7.8458 -7.8458 -7.8457 -7.8457 -6.2294 -6.2294 -6.2276 -6.2276 -5.1279 -5.1279 -5.1278 -5.1278 -5.0252 -5.0252 -5.0237 -5.0237 -2.5291 -2.5291 -2.5278 -2.5278 -2.1868 -2.1868 -2.1852 -2.1852 -1.9511 -1.9511 -1.9505 -1.9505 -1.7426 -1.7426 -1.7411 -1.7411 -1.5036 -1.5036 -1.5011 -1.5011 -0.1632 -0.1632 -0.1599 -0.1599 0.0459 0.0459 0.0473 0.0473 0.3959 0.3959 0.3990 0.3990 8.8762 8.8762 8.8766 8.8766 9.6308 9.6308 9.6313 9.6313 10.8244 10.8244 10.8264 10.8264 k = 0.5000-0.0000 0.9394 ( 6824 PWs) bands (ev): -20.0449 -20.0449 -20.0448 -20.0448 -17.6456 -17.6456 -17.6450 -17.6450 -17.2542 -17.2542 -17.2536 -17.2536 -17.2399 -17.2399 -17.2384 -17.2384 -7.8458 -7.8458 -7.8457 -7.8457 -6.2294 -6.2294 -6.2276 -6.2276 -5.1279 -5.1279 -5.1278 -5.1278 -5.0252 -5.0252 -5.0237 -5.0237 -2.5291 -2.5291 -2.5278 -2.5278 -2.1868 -2.1868 -2.1852 -2.1852 -1.9511 -1.9511 -1.9505 -1.9505 -1.7426 -1.7426 -1.7411 -1.7411 -1.5036 -1.5036 -1.5011 -1.5011 -0.1632 -0.1632 -0.1599 -0.1599 0.0459 0.0459 0.0473 0.0473 0.3959 0.3959 0.3990 0.3990 8.8762 8.8762 8.8766 8.8766 9.6308 9.6308 9.6313 9.6313 10.8244 10.8244 10.8264 10.8264 k = 0.5000-0.0000 0.9133 ( 6820 PWs) bands (ev): -20.0451 -20.0451 -20.0451 -20.0451 -17.6452 -17.6452 -17.6445 -17.6445 -17.2542 -17.2542 -17.2535 -17.2535 -17.2399 -17.2399 -17.2383 -17.2383 -7.8479 -7.8479 -7.8478 -7.8478 -6.2280 -6.2280 -6.2262 -6.2262 -5.1285 -5.1285 -5.1279 -5.1279 -5.0257 -5.0257 -5.0242 -5.0242 -2.5281 -2.5281 -2.5268 -2.5268 -2.1865 -2.1865 -2.1849 -2.1849 -1.9518 -1.9518 -1.9511 -1.9511 -1.7423 -1.7423 -1.7407 -1.7407 -1.5036 -1.5036 -1.5011 -1.5011 -0.1618 -0.1618 -0.1585 -0.1585 0.0463 0.0463 0.0479 0.0479 0.3961 0.3961 0.3992 0.3992 8.8678 8.8678 8.8681 8.8681 9.6386 9.6386 9.6391 9.6391 10.8243 10.8243 10.8263 10.8263 k = 0.5000-0.0000 0.8872 ( 6816 PWs) bands (ev): -20.0459 -20.0459 -20.0458 -20.0458 -17.6438 -17.6438 -17.6430 -17.6430 -17.2542 -17.2542 -17.2534 -17.2534 -17.2398 -17.2398 -17.2383 -17.2383 -7.8542 -7.8542 -7.8541 -7.8541 -6.2237 -6.2237 -6.2218 -6.2218 -5.1298 -5.1298 -5.1287 -5.1287 -5.0273 -5.0273 -5.0255 -5.0255 -2.5251 -2.5251 -2.5237 -2.5237 -2.1858 -2.1858 -2.1842 -2.1842 -1.9535 -1.9535 -1.9526 -1.9526 -1.7414 -1.7414 -1.7397 -1.7397 -1.5037 -1.5037 -1.5012 -1.5012 -0.1575 -0.1575 -0.1541 -0.1541 0.0476 0.0476 0.0497 0.0497 0.3966 0.3966 0.3997 0.3997 8.8435 8.8435 8.8439 8.8439 9.6609 9.6609 9.6615 9.6615 10.8239 10.8239 10.8259 10.8259 k = 0.5000-0.0000 0.8611 ( 6820 PWs) bands (ev): -20.0471 -20.0471 -20.0471 -20.0471 -17.6415 -17.6415 -17.6406 -17.6406 -17.2542 -17.2542 -17.2532 -17.2532 -17.2397 -17.2397 -17.2381 -17.2381 -7.8647 -7.8647 -7.8645 -7.8645 -6.2166 -6.2166 -6.2147 -6.2147 -5.1318 -5.1318 -5.1303 -5.1303 -5.0299 -5.0299 -5.0279 -5.0279 -2.5201 -2.5201 -2.5187 -2.5187 -2.1847 -2.1847 -2.1830 -2.1830 -1.9564 -1.9564 -1.9552 -1.9552 -1.7399 -1.7399 -1.7380 -1.7380 -1.5038 -1.5038 -1.5013 -1.5013 -0.1506 -0.1506 -0.1469 -0.1469 0.0499 0.0499 0.0525 0.0525 0.3976 0.3976 0.4007 0.4007 8.8061 8.8061 8.8064 8.8064 9.6951 9.6951 9.6958 9.6958 10.8231 10.8231 10.8251 10.8251 k = 0.5000-0.0000 0.8351 ( 6826 PWs) bands (ev): -20.0489 -20.0489 -20.0488 -20.0488 -17.6382 -17.6382 -17.6372 -17.6372 -17.2542 -17.2542 -17.2530 -17.2530 -17.2395 -17.2395 -17.2379 -17.2379 -7.8790 -7.8790 -7.8788 -7.8788 -6.2069 -6.2069 -6.2049 -6.2049 -5.1346 -5.1346 -5.1325 -5.1325 -5.0335 -5.0335 -5.0311 -5.0311 -2.5132 -2.5132 -2.5118 -2.5118 -2.1831 -2.1831 -2.1813 -2.1813 -1.9603 -1.9603 -1.9589 -1.9589 -1.7378 -1.7378 -1.7357 -1.7357 -1.5040 -1.5040 -1.5014 -1.5014 -0.1411 -0.1411 -0.1370 -0.1370 0.0532 0.0532 0.0565 0.0565 0.3990 0.3990 0.4021 0.4021 8.7585 8.7585 8.7588 8.7588 9.7381 9.7381 9.7388 9.7388 10.8218 10.8218 10.8239 10.8239 k = 0.5000-0.0000 0.8090 ( 6826 PWs) bands (ev): -20.0510 -20.0510 -20.0510 -20.0510 -17.6341 -17.6341 -17.6329 -17.6329 -17.2541 -17.2541 -17.2527 -17.2527 -17.2394 -17.2394 -17.2377 -17.2377 -7.8970 -7.8970 -7.8968 -7.8968 -6.1949 -6.1949 -6.1926 -6.1926 -5.1380 -5.1380 -5.1354 -5.1354 -5.0381 -5.0381 -5.0353 -5.0353 -2.5045 -2.5045 -2.5031 -2.5031 -2.1810 -2.1810 -2.1791 -2.1791 -1.9651 -1.9651 -1.9634 -1.9634 -1.7351 -1.7351 -1.7327 -1.7327 -1.5043 -1.5043 -1.5015 -1.5015 -0.1291 -0.1291 -0.1246 -0.1246 0.0575 0.0575 0.0615 0.0615 0.4008 0.4008 0.4040 0.4040 8.7036 8.7036 8.7039 8.7039 9.7869 9.7869 9.7877 9.7877 10.8199 10.8199 10.8221 10.8221 k = 0.5000-0.0000 0.7829 ( 6830 PWs) bands (ev): -20.0537 -20.0537 -20.0536 -20.0536 -17.6292 -17.6292 -17.6278 -17.6278 -17.2539 -17.2539 -17.2523 -17.2523 -17.2391 -17.2391 -17.2374 -17.2374 -7.9183 -7.9183 -7.9181 -7.9181 -6.1806 -6.1806 -6.1782 -6.1782 -5.1420 -5.1420 -5.1390 -5.1390 -5.0435 -5.0435 -5.0404 -5.0404 -2.4942 -2.4942 -2.4926 -2.4926 -2.1786 -2.1786 -2.1765 -2.1765 -1.9706 -1.9706 -1.9687 -1.9687 -1.7319 -1.7319 -1.7292 -1.7292 -1.5046 -1.5046 -1.5017 -1.5017 -0.1151 -0.1151 -0.1100 -0.1100 0.0629 0.0629 0.0677 0.0677 0.4032 0.4032 0.4064 0.4064 8.6435 8.6435 8.6438 8.6438 9.8392 9.8392 9.8401 9.8401 10.8172 10.8172 10.8195 10.8195 k = 0.5000-0.0000 0.7568 ( 6828 PWs) bands (ev): -20.0567 -20.0567 -20.0566 -20.0566 -17.6234 -17.6234 -17.6219 -17.6219 -17.2537 -17.2537 -17.2520 -17.2520 -17.2388 -17.2388 -17.2371 -17.2371 -7.9427 -7.9427 -7.9424 -7.9424 -6.1644 -6.1644 -6.1618 -6.1618 -5.1466 -5.1466 -5.1431 -5.1431 -5.0499 -5.0499 -5.0463 -5.0463 -2.4822 -2.4822 -2.4806 -2.4806 -2.1757 -2.1757 -2.1735 -2.1735 -1.9768 -1.9768 -1.9747 -1.9747 -1.7280 -1.7280 -1.7251 -1.7251 -1.5049 -1.5049 -1.5019 -1.5019 -0.0992 -0.0992 -0.0935 -0.0935 0.0695 0.0695 0.0751 0.0751 0.4062 0.4062 0.4094 0.4094 8.5799 8.5799 8.5802 8.5802 9.8932 9.8932 9.8943 9.8943 10.8136 10.8136 10.8160 10.8160 k = 0.5000-0.0000 0.7307 ( 6834 PWs) bands (ev): -20.0602 -20.0602 -20.0600 -20.0600 -17.6169 -17.6169 -17.6152 -17.6152 -17.2535 -17.2535 -17.2515 -17.2515 -17.2385 -17.2385 -17.2367 -17.2367 -7.9697 -7.9697 -7.9695 -7.9695 -6.1465 -6.1465 -6.1438 -6.1438 -5.1518 -5.1518 -5.1479 -5.1479 -5.0570 -5.0570 -5.0531 -5.0531 -2.4689 -2.4689 -2.4672 -2.4672 -2.1725 -2.1725 -2.1701 -2.1701 -1.9835 -1.9835 -1.9813 -1.9813 -1.7237 -1.7237 -1.7204 -1.7204 -1.5053 -1.5053 -1.5021 -1.5021 -0.0819 -0.0819 -0.0755 -0.0755 0.0772 0.0772 0.0838 0.0838 0.4098 0.4098 0.4131 0.4131 8.5141 8.5141 8.5143 8.5143 9.9475 9.9475 9.9488 9.9488 10.8088 10.8088 10.8113 10.8113 k = 0.5000-0.0000 0.7046 ( 6836 PWs) bands (ev): -20.0639 -20.0639 -20.0638 -20.0638 -17.6097 -17.6097 -17.6078 -17.6078 -17.2532 -17.2532 -17.2510 -17.2510 -17.2382 -17.2382 -17.2363 -17.2363 -7.9991 -7.9991 -7.9988 -7.9988 -6.1272 -6.1272 -6.1243 -6.1243 -5.1576 -5.1576 -5.1532 -5.1532 -5.0649 -5.0649 -5.0606 -5.0606 -2.4543 -2.4543 -2.4525 -2.4525 -2.1690 -2.1690 -2.1664 -2.1664 -1.9907 -1.9907 -1.9883 -1.9883 -1.7188 -1.7188 -1.7152 -1.7152 -1.5057 -1.5057 -1.5023 -1.5023 -0.0634 -0.0634 -0.0563 -0.0563 0.0862 0.0862 0.0936 0.0936 0.4143 0.4143 0.4176 0.4176 8.4468 8.4468 8.4471 8.4471 10.0009 10.0009 10.0026 10.0026 10.8029 10.8029 10.8055 10.8055 k = 0.5000-0.0000 0.6785 ( 6832 PWs) bands (ev): -20.0681 -20.0681 -20.0679 -20.0679 -17.6018 -17.6018 -17.5997 -17.5997 -17.2529 -17.2529 -17.2505 -17.2505 -17.2378 -17.2378 -17.2358 -17.2358 -8.0304 -8.0304 -8.0302 -8.0302 -6.1068 -6.1068 -6.1037 -6.1037 -5.1638 -5.1638 -5.1590 -5.1590 -5.0735 -5.0735 -5.0688 -5.0688 -2.4387 -2.4387 -2.4368 -2.4368 -2.1652 -2.1652 -2.1624 -2.1624 -1.9980 -1.9980 -1.9956 -1.9956 -1.7135 -1.7135 -1.7095 -1.7095 -1.5062 -1.5062 -1.5026 -1.5026 -0.0442 -0.0442 -0.0363 -0.0363 0.0964 0.0964 0.1047 0.1047 0.4196 0.4196 0.4231 0.4231 8.3789 8.3789 8.3792 8.3792 10.0526 10.0526 10.0546 10.0546 10.7957 10.7957 10.7985 10.7985 k = 0.5000-0.0000 0.6524 ( 6838 PWs) bands (ev): -20.0725 -20.0725 -20.0723 -20.0723 -17.5934 -17.5934 -17.5911 -17.5911 -17.2525 -17.2525 -17.2499 -17.2499 -17.2374 -17.2374 -17.2353 -17.2353 -8.0634 -8.0634 -8.0631 -8.0631 -6.0854 -6.0854 -6.0822 -6.0822 -5.1705 -5.1705 -5.1653 -5.1653 -5.0827 -5.0827 -5.0777 -5.0777 -2.4222 -2.4222 -2.4203 -2.4203 -2.1611 -2.1611 -2.1581 -2.1581 -2.0055 -2.0055 -2.0031 -2.0031 -1.7076 -1.7076 -1.7033 -1.7033 -1.5067 -1.5067 -1.5028 -1.5028 -0.0246 -0.0246 -0.0160 -0.0160 0.1078 0.1078 0.1170 0.1170 0.4261 0.4261 0.4296 0.4296 8.3108 8.3108 8.3111 8.3111 10.1015 10.1015 10.1039 10.1039 10.7873 10.7873 10.7904 10.7904 k = 0.5000-0.0000 0.6263 ( 6842 PWs) bands (ev): -20.0771 -20.0771 -20.0770 -20.0770 -17.5845 -17.5845 -17.5821 -17.5821 -17.2521 -17.2521 -17.2492 -17.2492 -17.2369 -17.2369 -17.2347 -17.2347 -8.0977 -8.0977 -8.0973 -8.0973 -6.0634 -6.0634 -6.0600 -6.0600 -5.1776 -5.1776 -5.1720 -5.1720 -5.0926 -5.0926 -5.0873 -5.0873 -2.4050 -2.4050 -2.4030 -2.4030 -2.1569 -2.1569 -2.1537 -2.1537 -2.0131 -2.0131 -2.0105 -2.0105 -1.7013 -1.7013 -1.6966 -1.6966 -1.5073 -1.5073 -1.5031 -1.5031 -0.0050 -0.0050 0.0043 0.0043 0.1205 0.1205 0.1303 0.1303 0.4339 0.4339 0.4374 0.4374 8.2430 8.2430 8.2433 8.2433 10.1469 10.1469 10.1499 10.1499 10.7780 10.7780 10.7814 10.7814 k = 0.5000-0.0000 0.6002 ( 6842 PWs) bands (ev): -20.0820 -20.0820 -20.0818 -20.0818 -17.5752 -17.5752 -17.5726 -17.5726 -17.2516 -17.2516 -17.2485 -17.2485 -17.2364 -17.2364 -17.2341 -17.2341 -8.1328 -8.1328 -8.1325 -8.1325 -6.0408 -6.0408 -6.0373 -6.0373 -5.1850 -5.1850 -5.1791 -5.1791 -5.1029 -5.1029 -5.0973 -5.0973 -2.3874 -2.3874 -2.3854 -2.3854 -2.1525 -2.1525 -2.1491 -2.1491 -2.0204 -2.0204 -2.0179 -2.0179 -1.6946 -1.6946 -1.6894 -1.6894 -1.5078 -1.5078 -1.5034 -1.5034 0.0143 0.0143 0.0241 0.0241 0.1341 0.1341 0.1445 0.1445 0.4432 0.4432 0.4467 0.4467 8.1759 8.1759 8.1761 8.1761 10.1879 10.1879 10.1916 10.1916 10.7683 10.7683 10.7721 10.7721 k = 0.5000-0.0000 0.5741 ( 6836 PWs) bands (ev): -20.0870 -20.0870 -20.0868 -20.0868 -17.5656 -17.5656 -17.5628 -17.5628 -17.2510 -17.2510 -17.2477 -17.2477 -17.2359 -17.2359 -17.2334 -17.2334 -8.1687 -8.1687 -8.1684 -8.1684 -6.0180 -6.0180 -6.0144 -6.0144 -5.1926 -5.1926 -5.1864 -5.1864 -5.1137 -5.1137 -5.1078 -5.1078 -2.3695 -2.3695 -2.3675 -2.3675 -2.1482 -2.1482 -2.1445 -2.1445 -2.0276 -2.0276 -2.0250 -2.0250 -1.6874 -1.6874 -1.6818 -1.6818 -1.5085 -1.5085 -1.5037 -1.5037 0.0332 0.0332 0.0434 0.0434 0.1484 0.1484 0.1591 0.1591 0.4541 0.4541 0.4578 0.4578 8.1096 8.1096 8.1099 8.1099 10.2238 10.2238 10.2283 10.2283 10.7587 10.7587 10.7631 10.7631 k = 0.5000-0.0000 0.5480 ( 6832 PWs) bands (ev): -20.0921 -20.0921 -20.0920 -20.0920 -17.5557 -17.5557 -17.5528 -17.5528 -17.2504 -17.2504 -17.2469 -17.2469 -17.2353 -17.2353 -17.2327 -17.2327 -8.2048 -8.2048 -8.2045 -8.2045 -5.9950 -5.9950 -5.9913 -5.9913 -5.2006 -5.2006 -5.1941 -5.1941 -5.1249 -5.1249 -5.1187 -5.1187 -2.3516 -2.3516 -2.3495 -2.3495 -2.1439 -2.1439 -2.1399 -2.1399 -2.0343 -2.0343 -2.0318 -2.0318 -1.6799 -1.6799 -1.6738 -1.6738 -1.5091 -1.5091 -1.5040 -1.5040 0.0517 0.0517 0.0620 0.0620 0.1630 0.1630 0.1738 0.1738 0.4670 0.4670 0.4706 0.4706 8.0446 8.0446 8.0449 8.0449 10.2537 10.2537 10.2590 10.2590 10.7502 10.7502 10.7552 10.7552 k = 0.5000-0.0000 0.5219 ( 6834 PWs) bands (ev): -20.0974 -20.0974 -20.0972 -20.0972 -17.5456 -17.5456 -17.5426 -17.5426 -17.2497 -17.2497 -17.2460 -17.2460 -17.2347 -17.2347 -17.2320 -17.2320 -8.2411 -8.2411 -8.2408 -8.2408 -5.9720 -5.9720 -5.9682 -5.9682 -5.2087 -5.2087 -5.2019 -5.2019 -5.1364 -5.1364 -5.1300 -5.1300 -2.3338 -2.3338 -2.3317 -2.3317 -2.1397 -2.1397 -2.1355 -2.1355 -2.0405 -2.0405 -2.0380 -2.0380 -1.6720 -1.6720 -1.6654 -1.6654 -1.5098 -1.5098 -1.5042 -1.5042 0.0696 0.0696 0.0799 0.0799 0.1775 0.1775 0.1881 0.1881 0.4818 0.4818 0.4855 0.4855 7.9811 7.9811 7.9813 7.9813 10.2767 10.2767 10.2830 10.2830 10.7438 10.7438 10.7495 10.7495 k = 0.5000-0.0000 0.4958 ( 6834 PWs) bands (ev): -20.1027 -20.1027 -20.1025 -20.1025 -17.5355 -17.5355 -17.5324 -17.5324 -17.2489 -17.2489 -17.2451 -17.2451 -17.2340 -17.2340 -17.2312 -17.2312 -8.2771 -8.2771 -8.2768 -8.2768 -5.9492 -5.9492 -5.9453 -5.9453 -5.2169 -5.2169 -5.2099 -5.2099 -5.1482 -5.1482 -5.1415 -5.1415 -2.3163 -2.3163 -2.3141 -2.3141 -2.1359 -2.1359 -2.1313 -2.1313 -2.0461 -2.0461 -2.0437 -2.0437 -1.6638 -1.6638 -1.6567 -1.6567 -1.5105 -1.5105 -1.5045 -1.5045 0.0871 0.0871 0.0973 0.0973 0.1913 0.1913 0.2017 0.2017 0.4987 0.4987 0.5024 0.5024 7.9191 7.9191 7.9194 7.9194 10.2924 10.2924 10.2996 10.2996 10.7405 10.7405 10.7469 10.7469 k = 0.5000-0.0000 0.4697 ( 6842 PWs) bands (ev): -20.1079 -20.1079 -20.1078 -20.1078 -17.5255 -17.5255 -17.5222 -17.5222 -17.2481 -17.2481 -17.2441 -17.2441 -17.2333 -17.2333 -17.2304 -17.2304 -8.3127 -8.3127 -8.3124 -8.3124 -5.9266 -5.9266 -5.9226 -5.9226 -5.2253 -5.2253 -5.2180 -5.2180 -5.1601 -5.1601 -5.1533 -5.1533 -2.2992 -2.2992 -2.2971 -2.2971 -2.1324 -2.1324 -2.1276 -2.1276 -2.0509 -2.0509 -2.0485 -2.0485 -1.6554 -1.6554 -1.6476 -1.6476 -1.5113 -1.5113 -1.5047 -1.5047 0.1042 0.1042 0.1142 0.1142 0.2042 0.2042 0.2142 0.2142 0.5176 0.5176 0.5212 0.5212 7.8591 7.8591 7.8594 7.8594 10.3005 10.3005 10.3085 10.3085 10.7408 10.7408 10.7478 10.7478 k = 0.5000-0.0000 0.4436 ( 6842 PWs) bands (ev): -20.1132 -20.1132 -20.1130 -20.1130 -17.5155 -17.5155 -17.5121 -17.5121 -17.2472 -17.2472 -17.2431 -17.2431 -17.2326 -17.2326 -17.2295 -17.2295 -8.3477 -8.3477 -8.3474 -8.3474 -5.9044 -5.9044 -5.9003 -5.9003 -5.2336 -5.2336 -5.2262 -5.2262 -5.1722 -5.1722 -5.1652 -5.1652 -2.2828 -2.2828 -2.2808 -2.2808 -2.1294 -2.1294 -2.1244 -2.1244 -2.0548 -2.0548 -2.0524 -2.0524 -1.6468 -1.6468 -1.6384 -1.6384 -1.5120 -1.5120 -1.5049 -1.5049 0.1209 0.1209 0.1308 0.1308 0.2159 0.2159 0.2256 0.2256 0.5382 0.5382 0.5418 0.5418 7.8011 7.8011 7.8014 7.8014 10.3015 10.3015 10.3099 10.3099 10.7450 10.7450 10.7525 10.7525 k = 0.5000-0.0000 0.4175 ( 6846 PWs) bands (ev): -20.1184 -20.1184 -20.1182 -20.1182 -17.5057 -17.5057 -17.5022 -17.5022 -17.2462 -17.2462 -17.2421 -17.2421 -17.2318 -17.2318 -17.2286 -17.2286 -8.3817 -8.3817 -8.3814 -8.3814 -5.8826 -5.8826 -5.8785 -5.8785 -5.2419 -5.2419 -5.2343 -5.2343 -5.1843 -5.1843 -5.1771 -5.1771 -2.2672 -2.2672 -2.2652 -2.2652 -2.1270 -2.1270 -2.1218 -2.1218 -2.0576 -2.0576 -2.0554 -2.0554 -1.6380 -1.6380 -1.6290 -1.6290 -1.5128 -1.5128 -1.5051 -1.5051 0.1373 0.1373 0.1469 0.1469 0.2262 0.2262 0.2356 0.2356 0.5602 0.5602 0.5638 0.5638 7.7453 7.7453 7.7456 7.7456 10.2960 10.2960 10.3047 10.3047 10.7530 10.7530 10.7606 10.7606 k = 0.5000-0.0000 0.3914 ( 6844 PWs) bands (ev): -20.1234 -20.1234 -20.1233 -20.1233 -17.4961 -17.4961 -17.4927 -17.4927 -17.2452 -17.2452 -17.2411 -17.2411 -17.2309 -17.2309 -17.2276 -17.2276 -8.4147 -8.4147 -8.4144 -8.4144 -5.8613 -5.8613 -5.8572 -5.8572 -5.2501 -5.2501 -5.2424 -5.2424 -5.1963 -5.1963 -5.1891 -5.1891 -2.2525 -2.2525 -2.2505 -2.2505 -2.1252 -2.1252 -2.1199 -2.1199 -2.0593 -2.0593 -2.0573 -2.0573 -1.6292 -1.6292 -1.6196 -1.6196 -1.5136 -1.5136 -1.5053 -1.5053 0.1533 0.1533 0.1628 0.1628 0.2352 0.2352 0.2445 0.2445 0.5834 0.5834 0.5868 0.5868 7.6919 7.6919 7.6922 7.6922 10.2852 10.2852 10.2941 10.2941 10.7639 10.7639 10.7716 10.7716 k = 0.5000-0.0000 0.3653 ( 6850 PWs) bands (ev): -20.1283 -20.1283 -20.1282 -20.1282 -17.4869 -17.4869 -17.4834 -17.4834 -17.2442 -17.2442 -17.2401 -17.2401 -17.2300 -17.2300 -17.2266 -17.2266 -8.4464 -8.4464 -8.4461 -8.4461 -5.8407 -5.8407 -5.8366 -5.8366 -5.2582 -5.2582 -5.2504 -5.2504 -5.2083 -5.2083 -5.2009 -5.2009 -2.2389 -2.2389 -2.2370 -2.2370 -2.1239 -2.1239 -2.1186 -2.1186 -2.0600 -2.0600 -2.0582 -2.0582 -1.6205 -1.6205 -1.6101 -1.6101 -1.5144 -1.5144 -1.5054 -1.5054 0.1689 0.1689 0.1783 0.1783 0.2431 0.2431 0.2522 0.2522 0.6072 0.6072 0.6105 0.6105 7.6411 7.6411 7.6414 7.6414 10.2705 10.2705 10.2792 10.2792 10.7770 10.7770 10.7847 10.7847 k = 0.5000-0.0000 0.3392 ( 6860 PWs) bands (ev): -20.1331 -20.1331 -20.1329 -20.1329 -17.4781 -17.4781 -17.4746 -17.4746 -17.2432 -17.2432 -17.2391 -17.2391 -17.2290 -17.2290 -17.2255 -17.2255 -8.4766 -8.4766 -8.4764 -8.4764 -5.8207 -5.8207 -5.8166 -5.8166 -5.2661 -5.2661 -5.2582 -5.2582 -5.2200 -5.2200 -5.2126 -5.2126 -2.2265 -2.2265 -2.2246 -2.2246 -2.1230 -2.1230 -2.1178 -2.1178 -2.0598 -2.0598 -2.0582 -2.0582 -1.6119 -1.6119 -1.6008 -1.6008 -1.5153 -1.5153 -1.5055 -1.5055 0.1839 0.1839 0.1935 0.1935 0.2498 0.2498 0.2591 0.2591 0.6313 0.6313 0.6345 0.6345 7.5930 7.5930 7.5932 7.5932 10.2531 10.2531 10.2615 10.2615 10.7916 10.7916 10.7991 10.7991 k = 0.5000-0.0000 0.3131 ( 6864 PWs) bands (ev): -20.1376 -20.1376 -20.1375 -20.1375 -17.4697 -17.4697 -17.4663 -17.4663 -17.2421 -17.2421 -17.2382 -17.2382 -17.2278 -17.2278 -17.2244 -17.2244 -8.5053 -8.5053 -8.5051 -8.5051 -5.8015 -5.8015 -5.7974 -5.7974 -5.2737 -5.2737 -5.2659 -5.2659 -5.2314 -5.2314 -5.2241 -5.2241 -2.2154 -2.2154 -2.2136 -2.2136 -2.1220 -2.1220 -2.1170 -2.1170 -2.0590 -2.0590 -2.0576 -2.0576 -1.6034 -1.6034 -1.5916 -1.5916 -1.5161 -1.5161 -1.5056 -1.5056 0.1982 0.1982 0.2080 0.2080 0.2556 0.2556 0.2651 0.2651 0.6552 0.6552 0.6582 0.6582 7.5477 7.5477 7.5480 7.5480 10.2340 10.2340 10.2421 10.2421 10.8071 10.8071 10.8144 10.8144 k = 0.5000-0.0000 0.2870 ( 6864 PWs) bands (ev): -20.1418 -20.1418 -20.1417 -20.1417 -17.4619 -17.4619 -17.4586 -17.4586 -17.2411 -17.2411 -17.2374 -17.2374 -17.2266 -17.2266 -17.2233 -17.2233 -8.5322 -8.5322 -8.5320 -8.5320 -5.7831 -5.7831 -5.7791 -5.7791 -5.2811 -5.2811 -5.2733 -5.2733 -5.2424 -5.2424 -5.2352 -5.2352 -2.2058 -2.2058 -2.2040 -2.2040 -2.1209 -2.1209 -2.1160 -2.1160 -2.0578 -2.0578 -2.0565 -2.0565 -1.5953 -1.5953 -1.5827 -1.5827 -1.5170 -1.5170 -1.5057 -1.5057 0.2118 0.2118 0.2219 0.2219 0.2608 0.2608 0.2707 0.2707 0.6786 0.6786 0.6814 0.6814 7.5055 7.5055 7.5057 7.5057 10.2142 10.2142 10.2217 10.2217 10.8230 10.8230 10.8301 10.8301 k = 0.5000-0.0000 0.2610 ( 6858 PWs) bands (ev): -20.1458 -20.1458 -20.1457 -20.1457 -17.4546 -17.4546 -17.4515 -17.4515 -17.2401 -17.2401 -17.2366 -17.2366 -17.2254 -17.2254 -17.2221 -17.2221 -8.5572 -8.5572 -8.5570 -8.5570 -5.7657 -5.7657 -5.7618 -5.7618 -5.2882 -5.2882 -5.2806 -5.2806 -5.2529 -5.2529 -5.2459 -5.2459 -2.1978 -2.1978 -2.1961 -2.1961 -2.1193 -2.1193 -2.1147 -2.1147 -2.0563 -2.0563 -2.0553 -2.0553 -1.5875 -1.5875 -1.5741 -1.5741 -1.5179 -1.5179 -1.5058 -1.5058 0.2242 0.2242 0.2348 0.2348 0.2655 0.2655 0.2759 0.2759 0.7010 0.7010 0.7036 0.7036 7.4664 7.4664 7.4666 7.4666 10.1942 10.1942 10.2013 10.2013 10.8389 10.8389 10.8458 10.8458 k = 0.5000-0.0000 0.2349 ( 6858 PWs) bands (ev): -20.1495 -20.1495 -20.1494 -20.1494 -17.4479 -17.4479 -17.4450 -17.4450 -17.2392 -17.2392 -17.2360 -17.2360 -17.2240 -17.2240 -17.2210 -17.2210 -8.5802 -8.5802 -8.5800 -8.5800 -5.7492 -5.7492 -5.7455 -5.7455 -5.2950 -5.2950 -5.2877 -5.2877 -5.2626 -5.2626 -5.2559 -5.2559 -2.1914 -2.1914 -2.1897 -2.1897 -2.1170 -2.1170 -2.1127 -2.1127 -2.0549 -2.0549 -2.0539 -2.0539 -1.5801 -1.5801 -1.5660 -1.5660 -1.5188 -1.5188 -1.5058 -1.5058 0.2353 0.2353 0.2464 0.2464 0.2701 0.2701 0.2811 0.2811 0.7223 0.7223 0.7247 0.7247 7.4306 7.4306 7.4308 7.4308 10.1749 10.1749 10.1814 10.1814 10.8546 10.8546 10.8613 10.8613 k = 0.5000-0.0000 0.2088 ( 6862 PWs) bands (ev): -20.1529 -20.1529 -20.1528 -20.1528 -17.4419 -17.4419 -17.4391 -17.4391 -17.2383 -17.2383 -17.2355 -17.2355 -17.2227 -17.2227 -17.2198 -17.2198 -8.6011 -8.6011 -8.6009 -8.6009 -5.7339 -5.7339 -5.7304 -5.7304 -5.3015 -5.3015 -5.2946 -5.2946 -5.2715 -5.2715 -5.2653 -5.2653 -2.1864 -2.1864 -2.1850 -2.1850 -2.1141 -2.1141 -2.1102 -2.1102 -2.0535 -2.0535 -2.0526 -2.0526 -1.5733 -1.5733 -1.5585 -1.5585 -1.5196 -1.5196 -1.5060 -1.5060 0.2448 0.2448 0.2558 0.2558 0.2755 0.2755 0.2864 0.2864 0.7420 0.7420 0.7442 0.7442 7.3982 7.3982 7.3984 7.3984 10.1566 10.1566 10.1625 10.1625 10.8698 10.8698 10.8763 10.8763 k = 0.5000-0.0000 0.1827 ( 6862 PWs) bands (ev): -20.1559 -20.1559 -20.1558 -20.1558 -17.4365 -17.4365 -17.4340 -17.4340 -17.2375 -17.2375 -17.2350 -17.2350 -17.2213 -17.2213 -17.2188 -17.2188 -8.6198 -8.6198 -8.6196 -8.6196 -5.7198 -5.7198 -5.7165 -5.7165 -5.3076 -5.3076 -5.3013 -5.3013 -5.2793 -5.2793 -5.2738 -5.2738 -2.1829 -2.1829 -2.1816 -2.1816 -2.1106 -2.1106 -2.1071 -2.1071 -2.0523 -2.0523 -2.0515 -2.0515 -1.5670 -1.5670 -1.5517 -1.5517 -1.5204 -1.5204 -1.5062 -1.5062 0.2526 0.2526 0.2625 0.2625 0.2820 0.2820 0.2920 0.2920 0.7600 0.7600 0.7619 0.7619 7.3693 7.3693 7.3695 7.3695 10.1397 10.1397 10.1450 10.1450 10.8844 10.8844 10.8908 10.8908 k = 0.5000-0.0000 0.1566 ( 6854 PWs) bands (ev): -20.1586 -20.1586 -20.1585 -20.1585 -17.4317 -17.4317 -17.4296 -17.4296 -17.2368 -17.2368 -17.2346 -17.2346 -17.2200 -17.2200 -17.2177 -17.2177 -8.6361 -8.6361 -8.6360 -8.6360 -5.7071 -5.7071 -5.7041 -5.7041 -5.3133 -5.3133 -5.3078 -5.3078 -5.2859 -5.2859 -5.2814 -5.2814 -2.1804 -2.1804 -2.1793 -2.1793 -2.1068 -2.1068 -2.1038 -2.1038 -2.0513 -2.0513 -2.0506 -2.0506 -1.5612 -1.5612 -1.5457 -1.5457 -1.5211 -1.5211 -1.5064 -1.5064 0.2586 0.2586 0.2667 0.2667 0.2894 0.2894 0.2977 0.2977 0.7761 0.7761 0.7777 0.7777 7.3440 7.3440 7.3442 7.3442 10.1246 10.1246 10.1291 10.1291 10.8982 10.8982 10.9043 10.9043 k = 0.5000-0.0000 0.1305 ( 6856 PWs) bands (ev): -20.1608 -20.1608 -20.1608 -20.1608 -17.4277 -17.4277 -17.4258 -17.4258 -17.2361 -17.2361 -17.2344 -17.2344 -17.2188 -17.2188 -17.2169 -17.2169 -8.6501 -8.6501 -8.6500 -8.6500 -5.6959 -5.6959 -5.6933 -5.6933 -5.3185 -5.3185 -5.3140 -5.3140 -5.2914 -5.2914 -5.2878 -5.2878 -2.1787 -2.1787 -2.1779 -2.1779 -2.1029 -2.1029 -2.1004 -2.1004 -2.0506 -2.0506 -2.0500 -2.0500 -1.5560 -1.5560 -1.5408 -1.5408 -1.5213 -1.5213 -1.5069 -1.5069 0.2631 0.2631 0.2694 0.2694 0.2968 0.2968 0.3032 0.3032 0.7899 0.7899 0.7913 0.7913 7.3225 7.3225 7.3226 7.3226 10.1115 10.1115 10.1153 10.1153 10.9107 10.9107 10.9166 10.9166 k = 0.5000-0.0000 0.1044 ( 6854 PWs) bands (ev): -20.1627 -20.1627 -20.1627 -20.1627 -17.4244 -17.4244 -17.4228 -17.4228 -17.2356 -17.2356 -17.2342 -17.2342 -17.2177 -17.2177 -17.2161 -17.2161 -8.6616 -8.6616 -8.6615 -8.6615 -5.6864 -5.6864 -5.6842 -5.6842 -5.3230 -5.3230 -5.3195 -5.3195 -5.2958 -5.2958 -5.2931 -5.2931 -2.1777 -2.1777 -2.1770 -2.1770 -2.0993 -2.0993 -2.0973 -2.0973 -2.0501 -2.0501 -2.0495 -2.0495 -1.5514 -1.5514 -1.5373 -1.5373 -1.5210 -1.5210 -1.5075 -1.5075 0.2664 0.2664 0.2712 0.2712 0.3034 0.3034 0.3083 0.3083 0.8015 0.8015 0.8027 0.8027 7.3048 7.3048 7.3049 7.3049 10.1006 10.1006 10.1037 10.1037 10.9217 10.9217 10.9269 10.9269 k = 0.5000-0.0000 0.0783 ( 6854 PWs) bands (ev): -20.1642 -20.1642 -20.1641 -20.1641 -17.4217 -17.4217 -17.4206 -17.4206 -17.2351 -17.2351 -17.2341 -17.2341 -17.2167 -17.2167 -17.2155 -17.2155 -8.6706 -8.6706 -8.6705 -8.6705 -5.6786 -5.6786 -5.6769 -5.6769 -5.3268 -5.3268 -5.3241 -5.3241 -5.2991 -5.2991 -5.2972 -5.2972 -2.1770 -2.1770 -2.1765 -2.1765 -2.0961 -2.0961 -2.0946 -2.0946 -2.0497 -2.0497 -2.0493 -2.0493 -1.5473 -1.5473 -1.5356 -1.5356 -1.5197 -1.5197 -1.5084 -1.5084 0.2688 0.2688 0.2724 0.2724 0.3088 0.3088 0.3125 0.3125 0.8107 0.8107 0.8116 0.8116 7.2909 7.2909 7.2910 7.2910 10.0920 10.0920 10.0944 10.0944 10.9306 10.9306 10.9343 10.9343 k = 0.5000-0.0000 0.0522 ( 6854 PWs) bands (ev): -20.1652 -20.1652 -20.1652 -20.1652 -17.4198 -17.4198 -17.4190 -17.4190 -17.2347 -17.2347 -17.2340 -17.2340 -17.2160 -17.2160 -17.2152 -17.2152 -8.6771 -8.6771 -8.6770 -8.6770 -5.6729 -5.6729 -5.6717 -5.6717 -5.3296 -5.3296 -5.3277 -5.3277 -5.3015 -5.3015 -5.3001 -5.3001 -2.1766 -2.1766 -2.1763 -2.1763 -2.0936 -2.0936 -2.0926 -2.0926 -2.0496 -2.0496 -2.0493 -2.0493 -1.5438 -1.5438 -1.5355 -1.5355 -1.5176 -1.5176 -1.5096 -1.5096 0.2704 0.2704 0.2731 0.2731 0.3128 0.3128 0.3156 0.3156 0.8174 0.8174 0.8180 0.8180 7.2810 7.2810 7.2810 7.2810 10.0859 10.0859 10.0875 10.0875 10.9361 10.9362 10.9377 10.9377 k = 0.5000-0.0000 0.0261 ( 6854 PWs) bands (ev): -20.1659 -20.1659 -20.1658 -20.1658 -17.4185 -17.4185 -17.4181 -17.4181 -17.2344 -17.2344 -17.2341 -17.2341 -17.2154 -17.2154 -17.2150 -17.2150 -8.6809 -8.6809 -8.6809 -8.6809 -5.6693 -5.6693 -5.6687 -5.6687 -5.3312 -5.3312 -5.3300 -5.3300 -5.3028 -5.3028 -5.3018 -5.3018 -2.1764 -2.1764 -2.1762 -2.1762 -2.0920 -2.0920 -2.0914 -2.0914 -2.0495 -2.0495 -2.0493 -2.0493 -1.5409 -1.5409 -1.5365 -1.5365 -1.5153 -1.5153 -1.5111 -1.5111 0.2713 0.2713 0.2735 0.2735 0.3152 0.3152 0.3175 0.3175 0.8215 0.8215 0.8218 0.8218 7.2750 7.2750 7.2750 7.2750 10.0824 10.0824 10.0832 10.0832 10.9366 10.9366 10.9397 10.9398 k = 0.5000-0.0000-0.0000 ( 6854 PWs) bands (ev): -20.1661 -20.1661 -20.1661 -20.1661 -17.4180 -17.4180 -17.4180 -17.4180 -17.2343 -17.2343 -17.2342 -17.2342 -17.2152 -17.2152 -17.2151 -17.2151 -8.6822 -8.6822 -8.6822 -8.6822 -5.6679 -5.6679 -5.6679 -5.6679 -5.3318 -5.3318 -5.3309 -5.3309 -5.3033 -5.3033 -5.3024 -5.3024 -2.1763 -2.1763 -2.1763 -2.1763 -2.0913 -2.0913 -2.0911 -2.0911 -2.0494 -2.0494 -2.0493 -2.0493 -1.5389 -1.5389 -1.5379 -1.5379 -1.5135 -1.5135 -1.5126 -1.5126 0.2716 0.2716 0.2736 0.2736 0.3161 0.3161 0.3182 0.3182 0.8229 0.8229 0.8230 0.8230 7.2730 7.2730 7.2730 7.2730 10.0814 10.0814 10.0816 10.0816 10.9361 10.9362 10.9403 10.9403 k = 0.0000 0.0000 0.9394 ( 6786 PWs) bands (ev): -20.0751 -20.0751 -20.0138 -20.0138 -17.6961 -17.6961 -17.5874 -17.5874 -17.2649 -17.2649 -17.2544 -17.2544 -17.2409 -17.2409 -17.2342 -17.2342 -8.1038 -8.1038 -7.3945 -7.3945 -6.6936 -6.6936 -5.9653 -5.9653 -5.2295 -5.2295 -5.2206 -5.2206 -4.9322 -4.9322 -4.9117 -4.9117 -2.5820 -2.5820 -2.4400 -2.4400 -2.3899 -2.3899 -2.2451 -2.2451 -1.9697 -1.9697 -1.9664 -1.9664 -1.6013 -1.6013 -1.5158 -1.5158 -1.4567 -1.4567 -1.4272 -1.4272 -0.2842 -0.2842 -0.1892 -0.1892 -0.1115 -0.1115 0.0450 0.0450 0.1669 0.1669 0.7016 0.7016 8.5658 8.5658 9.0552 9.0552 9.5091 9.5091 10.5674 10.5674 10.6640 10.6640 10.7629 10.7629 k = 0.0263-0.0000 0.9394 ( 6806 PWs) bands (ev): -20.0750 -20.0750 -20.0139 -20.0139 -17.6960 -17.6959 -17.5876 -17.5876 -17.2649 -17.2648 -17.2545 -17.2543 -17.2410 -17.2408 -17.2342 -17.2342 -8.1031 -8.1031 -7.3972 -7.3972 -6.6909 -6.6908 -5.9662 -5.9660 -5.2292 -5.2290 -5.2202 -5.2202 -4.9327 -4.9327 -4.9123 -4.9121 -2.5819 -2.5819 -2.4407 -2.4403 -2.3892 -2.3890 -2.2447 -2.2441 -1.9697 -1.9696 -1.9664 -1.9663 -1.6020 -1.6014 -1.5171 -1.5168 -1.4579 -1.4572 -1.4279 -1.4278 -0.2837 -0.2833 -0.1885 -0.1881 -0.1115 -0.1110 0.0452 0.0453 0.1673 0.1678 0.7004 0.7006 8.5667 8.5667 9.0563 9.0563 9.5065 9.5066 10.5549 10.5564 10.6656 10.6659 10.7704 10.7722 k = 0.0526-0.0000 0.9394 ( 6810 PWs) bands (ev): -20.0747 -20.0747 -20.0142 -20.0142 -17.6955 -17.6954 -17.5883 -17.5882 -17.2647 -17.2647 -17.2545 -17.2542 -17.2411 -17.2407 -17.2343 -17.2342 -8.1009 -8.1008 -7.4050 -7.4049 -6.6831 -6.6828 -5.9685 -5.9681 -5.2279 -5.2276 -5.2189 -5.2189 -4.9342 -4.9341 -4.9137 -4.9135 -2.5814 -2.5813 -2.4424 -2.4416 -2.3867 -2.3864 -2.2428 -2.2417 -1.9696 -1.9694 -1.9663 -1.9661 -1.6035 -1.6022 -1.5205 -1.5201 -1.4607 -1.4595 -1.4298 -1.4297 -0.2815 -0.2808 -0.1860 -0.1851 -0.1110 -0.1101 0.0461 0.0462 0.1688 0.1698 0.6972 0.6974 8.5694 8.5694 9.0593 9.0594 9.4991 9.4992 10.5241 10.5265 10.6706 10.6712 10.7902 10.7932 k = 0.0789-0.0000 0.9394 ( 6818 PWs) bands (ev): -20.0742 -20.0742 -20.0147 -20.0147 -17.6947 -17.6946 -17.5894 -17.5892 -17.2645 -17.2644 -17.2545 -17.2540 -17.2412 -17.2405 -17.2344 -17.2343 -8.0971 -8.0971 -7.4175 -7.4175 -6.6703 -6.6699 -5.9723 -5.9717 -5.2258 -5.2253 -5.2168 -5.2167 -4.9365 -4.9365 -4.9162 -4.9158 -2.5806 -2.5805 -2.4451 -2.4439 -2.3826 -2.3822 -2.2395 -2.2380 -1.9694 -1.9692 -1.9662 -1.9659 -1.6058 -1.6039 -1.5262 -1.5256 -1.4650 -1.4632 -1.4328 -1.4327 -0.2779 -0.2768 -0.1819 -0.1806 -0.1100 -0.1085 0.0475 0.0477 0.1715 0.1730 0.6918 0.6921 8.5739 8.5740 9.0643 9.0644 9.4873 9.4874 10.4825 10.4852 10.6786 10.6794 10.8146 10.8182 k = 0.1053-0.0000 0.9394 ( 6818 PWs) bands (ev): -20.0735 -20.0735 -20.0155 -20.0155 -17.6936 -17.6934 -17.5909 -17.5906 -17.2641 -17.2640 -17.2544 -17.2538 -17.2413 -17.2404 -17.2345 -17.2344 -8.0919 -8.0919 -7.4343 -7.4342 -6.6532 -6.6527 -5.9776 -5.9768 -5.2229 -5.2222 -5.2138 -5.2137 -4.9398 -4.9397 -4.9195 -4.9190 -2.5794 -2.5793 -2.4485 -2.4470 -2.3769 -2.3764 -2.2350 -2.2330 -1.9690 -1.9689 -1.9658 -1.9656 -1.6091 -1.6065 -1.5342 -1.5335 -1.4706 -1.4681 -1.4366 -1.4365 -0.2729 -0.2714 -0.1766 -0.1747 -0.1082 -0.1062 0.0495 0.0497 0.1754 0.1774 0.6843 0.6847 8.5803 8.5804 9.0709 9.0710 9.4717 9.4719 10.4348 10.4376 10.6887 10.6898 10.8387 10.8426 k = 0.1316-0.0000 0.9394 ( 6820 PWs) bands (ev): -20.0726 -20.0726 -20.0164 -20.0164 -17.6922 -17.6920 -17.5928 -17.5925 -17.2637 -17.2635 -17.2544 -17.2536 -17.2414 -17.2403 -17.2347 -17.2345 -8.0853 -8.0852 -7.4545 -7.4544 -6.6325 -6.6318 -5.9844 -5.9834 -5.2191 -5.2183 -5.2099 -5.2099 -4.9439 -4.9438 -4.9237 -4.9231 -2.5779 -2.5778 -2.4526 -2.4508 -2.3697 -2.3690 -2.2295 -2.2271 -1.9686 -1.9685 -1.9654 -1.9651 -1.6135 -1.6104 -1.5445 -1.5437 -1.4770 -1.4739 -1.4411 -1.4409 -0.2667 -0.2649 -0.1707 -0.1681 -0.1054 -0.1027 0.0519 0.0521 0.1806 0.1829 0.6748 0.6754 8.5884 8.5886 9.0787 9.0789 9.4536 9.4537 10.3834 10.3861 10.7001 10.7015 10.8602 10.8642 k = 0.1579-0.0000 0.9394 ( 6810 PWs) bands (ev): -20.0715 -20.0715 -20.0176 -20.0175 -17.6904 -17.6902 -17.5950 -17.5947 -17.2632 -17.2630 -17.2543 -17.2533 -17.2415 -17.2401 -17.2349 -17.2347 -8.0771 -8.0770 -7.4777 -7.4776 -6.6088 -6.6080 -5.9927 -5.9915 -5.2145 -5.2137 -5.2053 -5.2053 -4.9489 -4.9488 -4.9287 -4.9280 -2.5761 -2.5760 -2.4572 -2.4553 -2.3609 -2.3601 -2.2231 -2.2204 -1.9681 -1.9680 -1.9647 -1.9646 -1.6192 -1.6155 -1.5570 -1.5561 -1.4837 -1.4801 -1.4458 -1.4458 -0.2595 -0.2574 -0.1646 -0.1615 -0.1011 -0.0978 0.0546 0.0549 0.1869 0.1897 0.6633 0.6640 8.5984 8.5985 9.0871 9.0873 9.4340 9.4342 10.3296 10.3322 10.7120 10.7136 10.8778 10.8818 k = 0.1842-0.0000 0.9394 ( 6806 PWs) bands (ev): -20.0703 -20.0703 -20.0189 -20.0189 -17.6884 -17.6881 -17.5976 -17.5972 -17.2626 -17.2624 -17.2541 -17.2531 -17.2416 -17.2400 -17.2351 -17.2349 -8.0675 -8.0674 -7.5031 -7.5030 -6.5828 -6.5819 -6.0024 -6.0011 -5.2092 -5.2083 -5.1999 -5.1999 -4.9546 -4.9545 -4.9346 -4.9337 -2.5740 -2.5739 -2.4623 -2.4602 -2.3507 -2.3498 -2.2161 -2.2131 -1.9677 -1.9673 -1.9640 -1.9639 -1.6263 -1.6222 -1.5714 -1.5706 -1.4904 -1.4863 -1.4509 -1.4508 -0.2515 -0.2492 -0.1592 -0.1555 -0.0949 -0.0911 0.0576 0.0579 0.1946 0.1977 0.6500 0.6508 8.6101 8.6103 9.0951 9.0953 9.4147 9.4149 10.2743 10.2767 10.7237 10.7254 10.8909 10.8949 k = 0.2105-0.0000 0.9394 ( 6806 PWs) bands (ev): -20.0688 -20.0688 -20.0204 -20.0204 -17.6861 -17.6857 -17.6006 -17.6001 -17.2619 -17.2617 -17.2540 -17.2528 -17.2416 -17.2399 -17.2354 -17.2351 -8.0564 -8.0563 -7.5302 -7.5301 -6.5549 -6.5539 -6.0136 -6.0122 -5.2032 -5.2023 -5.1939 -5.1937 -4.9610 -4.9608 -4.9412 -4.9402 -2.5715 -2.5715 -2.4676 -2.4655 -2.3392 -2.3382 -2.2087 -2.2054 -1.9672 -1.9665 -1.9632 -1.9629 -1.6349 -1.6305 -1.5877 -1.5869 -1.4965 -1.4921 -1.4560 -1.4558 -0.2430 -0.2404 -0.1547 -0.1507 -0.0864 -0.0824 0.0606 0.0609 0.2035 0.2070 0.6349 0.6359 8.6236 8.6238 9.1011 9.1014 9.3976 9.3978 10.2180 10.2202 10.7346 10.7364 10.8996 10.9033 k = 0.2368-0.0000 0.9394 ( 6814 PWs) bands (ev): -20.0672 -20.0672 -20.0221 -20.0220 -17.6835 -17.6831 -17.6038 -17.6033 -17.2612 -17.2609 -17.2538 -17.2526 -17.2417 -17.2398 -17.2357 -17.2353 -8.0439 -8.0438 -7.5585 -7.5585 -6.5258 -6.5247 -6.0263 -6.0248 -5.1966 -5.1958 -5.1872 -5.1870 -4.9680 -4.9678 -4.9485 -4.9474 -2.5688 -2.5688 -2.4732 -2.4710 -2.3264 -2.3255 -2.2012 -2.1977 -1.9665 -1.9656 -1.9622 -1.9618 -1.6451 -1.6404 -1.6053 -1.6045 -1.5017 -1.4971 -1.4611 -1.4608 -0.2341 -0.2314 -0.1515 -0.1474 -0.0760 -0.0720 0.0635 0.0639 0.2139 0.2176 0.6182 0.6193 8.6388 8.6390 9.1035 9.1038 9.3851 9.3853 10.1613 10.1633 10.7445 10.7463 10.9038 10.9074 k = 0.2632-0.0000 0.9394 ( 6814 PWs) bands (ev): -20.0655 -20.0654 -20.0239 -20.0239 -17.6806 -17.6801 -17.6073 -17.6068 -17.2604 -17.2602 -17.2537 -17.2524 -17.2417 -17.2397 -17.2360 -17.2356 -8.0300 -8.0299 -7.5877 -7.5876 -6.4957 -6.4945 -6.0405 -6.0389 -5.1894 -5.1887 -5.1799 -5.1796 -4.9754 -4.9752 -4.9563 -4.9552 -2.5659 -2.5658 -2.4789 -2.4768 -2.3127 -2.3117 -2.1939 -2.1902 -1.9657 -1.9645 -1.9611 -1.9605 -1.6566 -1.6519 -1.6238 -1.6231 -1.5059 -1.5012 -1.4662 -1.4656 -0.2252 -0.2222 -0.1494 -0.1454 -0.0639 -0.0600 0.0661 0.0665 0.2257 0.2296 0.5999 0.6012 8.6558 8.6560 9.1003 9.1007 9.3796 9.3797 10.1044 10.1062 10.7533 10.7551 10.9042 10.9076 k = 0.2895-0.0000 0.9394 ( 6810 PWs) bands (ev): -20.0636 -20.0635 -20.0259 -20.0258 -17.6774 -17.6770 -17.6111 -17.6105 -17.2596 -17.2594 -17.2536 -17.2522 -17.2417 -17.2396 -17.2364 -17.2359 -8.0147 -8.0146 -7.6174 -7.6173 -6.4651 -6.4639 -6.0561 -6.0544 -5.1818 -5.1811 -5.1723 -5.1718 -4.9833 -4.9830 -4.9647 -4.9634 -2.5627 -2.5625 -2.4847 -2.4826 -2.2980 -2.2972 -2.1870 -2.1832 -1.9647 -1.9632 -1.9598 -1.9591 -1.6690 -1.6644 -1.6427 -1.6421 -1.5089 -1.5044 -1.4711 -1.4704 -0.2163 -0.2133 -0.1483 -0.1445 -0.0507 -0.0471 0.0683 0.0685 0.2390 0.2431 0.5803 0.5818 8.6744 8.6746 9.0903 9.0907 9.3827 9.3827 10.0477 10.0494 10.7612 10.7631 10.9012 10.9043 k = 0.3158-0.0000 0.9394 ( 6816 PWs) bands (ev): -20.0615 -20.0615 -20.0280 -20.0279 -17.6741 -17.6736 -17.6150 -17.6144 -17.2588 -17.2586 -17.2535 -17.2520 -17.2417 -17.2395 -17.2368 -17.2362 -7.9980 -7.9979 -7.6473 -7.6472 -6.4343 -6.4330 -6.0731 -6.0713 -5.1739 -5.1733 -5.1643 -5.1638 -4.9913 -4.9910 -4.9735 -4.9721 -2.5593 -2.5590 -2.4906 -2.4884 -2.2828 -2.2820 -2.1808 -2.1770 -1.9634 -1.9616 -1.9584 -1.9576 -1.6821 -1.6777 -1.6616 -1.6610 -1.5109 -1.5065 -1.4760 -1.4750 -0.2077 -0.2046 -0.1481 -0.1444 -0.0370 -0.0337 0.0697 0.0698 0.2539 0.2580 0.5595 0.5611 8.6946 8.6949 9.0736 9.0741 9.3944 9.3945 9.9916 9.9931 10.7685 10.7703 10.8954 10.8983 k = 0.3421-0.0000 0.9394 ( 6816 PWs) bands (ev): -20.0594 -20.0594 -20.0302 -20.0301 -17.6705 -17.6700 -17.6191 -17.6185 -17.2579 -17.2579 -17.2534 -17.2520 -17.2416 -17.2394 -17.2372 -17.2365 -7.9800 -7.9799 -7.6771 -7.6771 -6.4035 -6.4021 -6.0915 -6.0897 -5.1658 -5.1653 -5.1562 -5.1557 -4.9994 -4.9989 -4.9824 -4.9810 -2.5556 -2.5552 -2.4964 -2.4943 -2.2671 -2.2666 -2.1758 -2.1721 -1.9618 -1.9599 -1.9569 -1.9560 -1.6953 -1.6911 -1.6798 -1.6792 -1.5119 -1.5078 -1.4806 -1.4795 -0.1995 -0.1964 -0.1485 -0.1449 -0.0232 -0.0201 0.0702 0.0702 0.2703 0.2744 0.5377 0.5394 8.7165 8.7168 9.0515 9.0520 9.4139 9.4140 9.9361 9.9374 10.7754 10.7773 10.8875 10.8902 k = 0.3684-0.0000 0.9394 ( 6812 PWs) bands (ev): -20.0571 -20.0571 -20.0325 -20.0325 -17.6667 -17.6662 -17.6234 -17.6228 -17.2571 -17.2571 -17.2534 -17.2520 -17.2414 -17.2393 -17.2376 -17.2368 -7.9607 -7.9605 -7.7067 -7.7067 -6.3729 -6.3715 -6.1113 -6.1095 -5.1576 -5.1572 -5.1483 -5.1477 -5.0071 -5.0065 -4.9915 -4.9899 -2.5518 -2.5512 -2.5021 -2.5002 -2.2514 -2.2511 -2.1723 -2.1687 -1.9600 -1.9580 -1.9553 -1.9544 -1.7080 -1.7041 -1.6966 -1.6962 -1.5121 -1.5082 -1.4851 -1.4838 -0.1919 -0.1887 -0.1496 -0.1461 -0.0096 -0.0068 0.0695 0.0697 0.2882 0.2922 0.5150 0.5169 8.7398 8.7401 9.0255 9.0260 9.4398 9.4399 9.8816 9.8828 10.7824 10.7842 10.8780 10.8806 k = 0.3947-0.0000 0.9394 ( 6816 PWs) bands (ev): -20.0548 -20.0548 -20.0349 -20.0348 -17.6628 -17.6622 -17.6278 -17.6271 -17.2564 -17.2563 -17.2534 -17.2521 -17.2412 -17.2392 -17.2381 -17.2372 -7.9400 -7.9399 -7.7359 -7.7359 -6.3428 -6.3412 -6.1324 -6.1306 -5.1496 -5.1494 -5.1410 -5.1404 -5.0142 -5.0135 -5.0003 -4.9987 -2.5476 -2.5469 -2.5078 -2.5059 -2.2360 -2.2360 -2.1707 -2.1673 -1.9579 -1.9561 -1.9537 -1.9530 -1.7197 -1.7161 -1.7115 -1.7112 -1.5115 -1.5079 -1.4894 -1.4878 -0.1849 -0.1816 -0.1512 -0.1478 0.0034 0.0059 0.0675 0.0680 0.3075 0.3114 0.4916 0.4938 8.7646 8.7650 8.9971 8.9975 9.4708 9.4710 9.8283 9.8293 10.7896 10.7915 10.8676 10.8700 k = 0.4211-0.0000 0.9394 ( 6808 PWs) bands (ev): -20.0524 -20.0524 -20.0373 -20.0373 -17.6587 -17.6580 -17.6322 -17.6315 -17.2558 -17.2555 -17.2535 -17.2523 -17.2410 -17.2390 -17.2385 -17.2375 -7.9182 -7.9181 -7.7645 -7.7645 -6.3133 -6.3116 -6.1549 -6.1530 -5.1422 -5.1420 -5.1347 -5.1342 -5.0201 -5.0192 -5.0086 -5.0069 -2.5433 -2.5424 -2.5133 -2.5116 -2.2216 -2.2213 -2.1711 -2.1681 -1.9558 -1.9541 -1.9523 -1.9518 -1.7296 -1.7265 -1.7239 -1.7238 -1.5103 -1.5070 -1.4934 -1.4916 -0.1785 -0.1752 -0.1534 -0.1500 0.0157 0.0179 0.0642 0.0649 0.3282 0.3319 0.4678 0.4702 8.7908 8.7912 8.9673 8.9677 9.5060 9.5063 9.7764 9.7772 10.7973 10.7992 10.8567 10.8589 k = 0.4474-0.0000 0.9394 ( 6818 PWs) bands (ev): -20.0499 -20.0499 -20.0398 -20.0398 -17.6544 -17.6538 -17.6367 -17.6360 -17.2552 -17.2548 -17.2537 -17.2526 -17.2407 -17.2390 -17.2388 -17.2378 -7.8952 -7.8951 -7.7924 -7.7924 -6.2844 -6.2827 -6.1785 -6.1767 -5.1357 -5.1356 -5.1300 -5.1297 -5.0243 -5.0232 -5.0159 -5.0142 -2.5388 -2.5377 -2.5187 -2.5171 -2.2083 -2.2076 -2.1739 -2.1714 -1.9538 -1.9525 -1.9512 -1.9510 -1.7371 -1.7346 -1.7336 -1.7330 -1.5085 -1.5055 -1.4971 -1.4951 -0.1727 -0.1695 -0.1561 -0.1528 0.0269 0.0289 0.0595 0.0604 0.3499 0.3534 0.4437 0.4463 8.8182 8.8186 8.9368 8.9372 9.5448 9.5451 9.7260 9.7267 10.8056 10.8075 10.8456 10.8477 k = 0.4737-0.0000 0.9394 ( 6822 PWs) bands (ev): -20.0474 -20.0474 -20.0424 -20.0423 -17.6501 -17.6494 -17.6412 -17.6405 -17.2547 -17.2542 -17.2539 -17.2531 -17.2403 -17.2395 -17.2386 -17.2381 -7.8710 -7.8709 -7.8196 -7.8195 -6.2564 -6.2547 -6.2034 -6.2016 -5.1308 -5.1307 -5.1276 -5.1274 -5.0261 -5.0248 -5.0216 -5.0200 -2.5340 -2.5329 -2.5240 -2.5225 -2.1966 -2.1955 -2.1792 -2.1771 -1.9522 -1.9512 -1.9507 -1.9506 -1.7416 -1.7399 -1.7396 -1.7389 -1.5063 -1.5036 -1.5005 -1.4983 -0.1677 -0.1644 -0.1594 -0.1561 0.0370 0.0387 0.0534 0.0546 0.3726 0.3758 0.4197 0.4225 8.8467 8.8471 8.9063 8.9067 9.5865 9.5869 9.6774 9.6780 10.8147 10.8166 10.8348 10.8368 k = 0.5000-0.0000 0.9394 ( 6824 PWs) bands (ev): -20.0449 -20.0449 -20.0448 -20.0448 -17.6456 -17.6456 -17.6450 -17.6450 -17.2542 -17.2542 -17.2536 -17.2536 -17.2399 -17.2399 -17.2384 -17.2384 -7.8458 -7.8458 -7.8457 -7.8457 -6.2294 -6.2294 -6.2276 -6.2276 -5.1279 -5.1279 -5.1278 -5.1278 -5.0252 -5.0252 -5.0237 -5.0237 -2.5291 -2.5291 -2.5278 -2.5278 -2.1868 -2.1868 -2.1852 -2.1852 -1.9511 -1.9511 -1.9505 -1.9505 -1.7426 -1.7426 -1.7411 -1.7411 -1.5036 -1.5036 -1.5011 -1.5011 -0.1632 -0.1632 -0.1599 -0.1599 0.0459 0.0459 0.0473 0.0473 0.3959 0.3959 0.3990 0.3990 8.8762 8.8762 8.8766 8.8766 9.6308 9.6308 9.6313 9.6313 10.8244 10.8244 10.8264 10.8264 Writing output data file AlPO4.save init_run : 2.92s CPU 13.60s WALL ( 1 calls) electrons : 1916.46s CPU 1932.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 1916.44s CPU 1931.86s WALL ( 1 calls) v_of_rho : 0.05s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.14s WALL ( 1 calls) v_xc : 0.04s CPU 0.64s WALL ( 1 calls) newd : 0.70s CPU 0.81s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.18s WALL ( 266 calls) cegterg : 1842.65s CPU 1855.77s WALL ( 904 calls) Called by sum_band: Called by *egterg: h_psi : 659.49s CPU 670.36s WALL ( 16511 calls) s_psi : 88.91s CPU 89.27s WALL ( 16511 calls) g_psi : 1.53s CPU 1.59s WALL ( 15341 calls) cdiaghg : 832.90s CPU 830.16s WALL ( 15607 calls) cegterg:over : 149.35s CPU 145.43s WALL ( 15341 calls) cegterg:upda : 49.60s CPU 53.48s WALL ( 15341 calls) cegterg:last : 30.22s CPU 30.85s WALL ( 2001 calls) Called by h_psi: h_psi:vloc : 471.73s CPU 480.04s WALL ( 16511 calls) h_psi:vnl : 187.01s CPU 188.79s WALL ( 16511 calls) add_vuspsi : 71.21s CPU 76.01s WALL ( 16511 calls) General routines calbec : 115.71s CPU 112.63s WALL ( 16511 calls) fft : 0.39s CPU 1.13s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 440.55s CPU 446.19s WALL ( 1915396 calls) interpolate : 0.01s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 2.18s WALL ( 532 calls) Parallel routines fft_scatter : 281.13s CPU 284.86s WALL ( 1915419 calls) PWSCF : 33m11.88s CPU 35m32.68s WALL This run was terminated on: 14:50:21 13Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=